@text coordinates from file: 1ubqH13-15-33-71-73.pdb USER MOD reduceV2.13.4 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduceV2.13.4 removed 629 hydrogens (0 hets) USER MOD reduceV2.13.4 H: found=0, std=0, add=630, rem=0, adj=21 HEADER CHROMOSOMAL PROTEIN 02-JAN-87 1UBQ 1UBQ 3 COMPND UBIQUITIN 1UBQ 4 AUTHOR S.VIJAY-*KUMAR,C.E.BUGG,W.J.COOK 1UBQ 6 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 55 THR OG1 : rot 128:sc= 0.592 USER MOD Set 1.2: 57 SER OG : rot 83:sc= 1.84 USER MOD Set 2.1: 7 THR OG1 : rot -71:sc= 0.32 USER MOD Set 2.2: 9 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 MET CE :methyl -159:sc= 0 (180deg=-0.374) USER MOD Single : 1 MET N :NH3+ 172:sc= 2.1! (180deg=1.96) USER MOD Single : 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 11 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0498) USER MOD Single : 12 THR OG1 : rot -156:sc= 1.05 USER MOD Single : 14 THR OG1 : rot 3:sc= 0.63! USER MOD Single : 20 SER OG : rot -135:sc= 1.28 USER MOD Single : 22 THR OG1 : rot 180:sc= 0.045 USER MOD Single : 25 ASN :FLIP amide:sc= -0.087 F(o=-0.66,f=-0.087) USER MOD Single : 27 LYS NZ :NH3+ 180:sc= 1.6 (180deg=1.6) USER MOD Single : 29 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.13) USER MOD Single : 31 GLN : amide:sc= -0.493 K(o=-0.49,f=-1.7!) USER MOD Single : 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 40 GLN :FLIP amide:sc= -0.0819 F(o=-2.4!,f=-0.082) USER MOD Single : 41 GLN : amide:sc= 0.472 K(o=0.47,f=-3.7!) USER MOD Single : 48 LYS NZ :NH3+ -151:sc= -0.123 (180deg=-1.14) USER MOD Single : 49 GLN :FLIP amide:sc= 0.719 F(o=-3.9!,f=0.72) USER MOD Single : 59 TYR OH : rot 180:sc= 0.373 USER MOD Single : 60 ASN :FLIP amide:sc= -0.0699 F(o=-1.2!,f=-0.07) USER MOD Single : 62 GLN :FLIP amide:sc= -0.293 F(o=-2.8!,f=-0.29) USER MOD Single : 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 65 SER OG : rot 66:sc= 2.21 USER MOD Single : 66 THR OG1 : rot 180:sc= 0 USER MOD Single : 68 HIS : no HD1:sc= 0.354 X(o=0.35,f=0.1) USER MOD ----------------------------------------------------------------- USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 7 THR OG1 : rot -71:sc= 0.32 USER MOD Set 1.2: 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: 55 THR OG1 : rot 128:sc= 0.592 USER MOD Set 2.2: 57 SER OG : rot 83:sc= 1.84 USER MOD Single : 1 MET CE :methyl -159:sc= 0 (180deg=-0.374) USER MOD Single : 1 MET N :NH3+ 172:sc= 2.1! (180deg=1.96) USER MOD Single : 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 11 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0498) USER MOD Single : 12 THR OG1 : rot -156:sc= 1.05 USER MOD Single : 14 THR OG1 : rot 3:sc= 0.598! USER MOD Single : 20 SER OG : rot -135:sc= 1.28 USER MOD Single : 22 THR OG1 : rot 180:sc= 0.045 USER MOD Single : 27 LYS NZ :NH3+ 180:sc= 1.6 (180deg=1.6) USER MOD Single : 29 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.13) USER MOD Single : 33 LYS NZ :NH3+ 146:sc= 0.125 (180deg=0.0078) USER MOD Single : 48 LYS NZ :NH3+ -151:sc= -0.123 (180deg=-1.14) USER MOD Single : 59 TYR OH : rot 180:sc= 0.373 USER MOD Single : 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 65 SER OG : rot 66:sc= 2.21 USER MOD Single : 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- coordinates from file: 1ubqH.pdb @kinemage 1 @caption coordinates from file: 1ubqH13-15-33-71-73.pdb coordinates from file: 1ubqH.pdb @lens 7.00 @onewidth @zoom 1.00 @zslab 200 @ztran 0 @matrix 1.000000 -0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 -0.000000 1.000000 @master {mainchain} @master {H's} @master {Calphas} @master {sidechain} @master {water} @group {1ubqH13-15} dominant @subgroup {mainchain} @vectorlist {mc} color= white master= {mainchain} { n met 1 B9.67}P 27.340 24.430 2.614 {"}27.340 24.430 2.614 { ca met 1 B10.38}26.266 25.413 2.842 { c met 1 B9.62}26.913 26.639 3.531 { o met 1 B9.62}27.886 26.463 4.263 { c met 1 B9.62}P 26.913 26.639 3.531 { n gln 2 B9.27}26.335 27.770 3.258 { ca gln 2 B9.07}26.850 29.021 3.898 { c gln 2 B8.72}26.100 29.253 5.202 { o gln 2 B8.22}24.865 29.024 5.330 { c gln 2 B8.72}P 26.100 29.253 5.202 { n ile 3 B5.87}26.849 29.656 6.217 { ca ile 3 B5.07}26.235 30.058 7.497 { c ile 3 B4.01}26.882 31.428 7.862 { o ile 3 B4.61}27.906 31.711 7.264 { c ile 3 B4.01}P 26.882 31.428 7.862 { n phe 4 B4.55}26.214 32.097 8.771 { ca phe 4 B4.68}26.772 33.436 9.197 { c phe 4 B5.30}27.151 33.362 10.650 { o phe 4 B5.58}26.350 32.778 11.395 { c phe 4 B5.30}P 27.151 33.362 10.650 { n val 5 B4.44}28.260 33.943 11.096 { ca val 5 B3.87}28.605 33.965 12.503 { c val 5 B4.93}28.638 35.461 12.900 { o val 5 B6.84}29.522 36.103 12.320 { c val 5 B4.93}P 28.638 35.461 12.900 { n lys 6 B6.04}27.751 35.867 13.740 { ca lys 6 B6.12}27.691 37.315 14.143 { c lys 6 B6.57}28.469 37.475 15.420 { o lys 6 B5.76}28.213 36.753 16.411 { c lys 6 B6.57}P 28.469 37.475 15.420 { n thr 7 B7.41}29.426 38.430 15.446 { ca thr 7 B7.48}30.225 38.643 16.662 { c thr 7 B8.75}29.664 39.839 17.434 { o thr 7 B8.58}28.850 40.565 16.859 { c thr 7 B8.75}P 29.664 39.839 17.434 { n leu 8 B9.84}30.132 40.069 18.642 { ca leu 8 B14.15}29.607 41.180 19.467 { c leu 8 B17.37}30.075 42.538 18.984 { o leu 8 B17.01}29.586 43.570 19.483 { c leu 8 B17.37}P 30.075 42.538 18.984 { n thr 9 B18.33}30.991 42.571 17.998 { ca thr 9 B19.24}31.422 43.940 17.553 { c thr 9 B19.48}30.755 44.351 16.277 { o thr 9 B23.14}31.207 45.268 15.566 { c thr 9 B19.48}P 30.755 44.351 16.277 { n gly 10 B19.43}29.721 43.673 15.885 { ca gly 10 B18.74}28.978 43.960 14.678 { c gly 10 B17.62}29.604 43.507 13.393 { o gly 10 B19.74}29.219 43.981 12.301 { c gly 10 B17.62}P 29.604 43.507 13.393 { n lys 11 B13.56}30.563 42.623 13.495 { ca lys 11 B11.91}31.191 42.012 12.331 { c lys 11 B10.18}30.459 40.666 12.130 { o lys 11 B9.10}30.253 39.991 13.133 { c lys 11 B10.18}P 30.459 40.666 12.130 { n thr 12 B9.63}30.163 40.338 10.886 { ca thr 12 B9.85}29.542 39.020 10.653 { c thr 12 B11.66}30.494 38.261 9.729 { o thr 12 B12.33}30.849 38.850 8.706 { c thr 12 B11.66}P 30.494 38.261 9.729 { n ile 13 B10.42}30.795 37.015 10.095 { ca ile 13 B11.84}31.720 36.289 9.176 { c ile 13 B10.55}30.911 35.457 8.220 { o ile 13 B11.92}29.840 34.943 8.597 { c ile 13 B10.55}P 30.911 35.457 8.220 { n thr 14 B9.39}31.244 34.986 7.197 { ca thr 14 B9.63}30.505 33.884 6.512 { c thr 14 B11.20}31.409 32.680 6.446 { o thr 14 B11.63}32.619 32.812 6.125 { c thr 14 B11.20}P 31.409 32.680 6.446 { n leu 15 B8.29}30.884 31.485 6.666 { ca leu 15 B9.03}31.677 30.275 6.639 { c leu 15 B8.59}31.174 29.392 5.491 { o leu 15 B7.79}29.991 29.522 5.207 { c leu 15 B8.59}P 31.174 29.392 5.491 { n glu 16 B11.04}31.834 28.412 5.125 { ca glu 16 B11.50}31.220 27.341 4.275 { c glu 16 B10.13}31.440 26.079 5.080 { o glu 16 B9.83}32.576 25.802 5.461 { c glu 16 B10.13}P 31.440 26.079 5.080 { n val 17 B8.99}30.310 25.458 5.384 { ca val 17 B8.85}30.288 24.245 6.193 { c val 17 B8.04}29.279 23.227 5.641 { o val 17 B8.99}28.478 23.522 4.725 { c val 17 B8.04}P 29.279 23.227 5.641 { n glu 18 B7.29}29.380 22.057 6.232 { ca glu 18 B7.08}28.468 20.940 5.980 { c glu 18 B6.45}27.819 20.609 7.316 { o glu 18 B5.28}28.449 20.674 8.360 { c glu 18 B6.45}P 27.819 20.609 7.316 { n pro 19 B7.24}26.559 20.220 7.288 { ca pro 19 B7.07}25.829 19.825 8.494 { c pro 19 B6.65}26.541 18.732 9.251 { o pro 19 B6.37}26.333 18.536 10.457 { c pro 19 B6.65}P 26.541 18.732 9.251 { n ser 20 B6.80}27.361 17.959 8.559 { ca ser 20 B6.28}28.054 16.835 9.210 { c ser 20 B8.45}29.258 17.318 9.984 { o ser 20 B7.26}29.930 16.477 10.606 { c ser 20 B8.45}P 29.258 17.318 9.984 { n asp 21 B7.50}29.599 18.599 9.828 { ca asp 21 B7.70}30.796 19.083 10.566 { c asp 21 B7.08}30.491 19.162 12.040 { o asp 21 B8.11}29.367 19.523 12.441 { c asp 21 B7.08}P 30.491 19.162 12.040 { n thr 22 B5.37}31.510 18.936 12.852 { ca thr 22 B6.01}31.398 19.064 14.286 { c thr 22 B8.01}31.593 20.553 14.655 { o thr 22 B8.11}32.159 21.311 13.861 { c thr 22 B8.01}P 31.593 20.553 14.655 { n ile 23 B8.32}31.113 20.863 15.860 { ca ile 23 B9.92}31.288 22.201 16.417 { c ile 23 B10.01}32.776 22.519 16.577 { o ile 23 B8.71}33.233 23.659 16.384 { c ile 23 B10.01}P 32.776 22.519 16.577 { n glu 24 B9.54}33.548 21.526 16.950 { ca glu 24 B11.81}35.031 21.722 17.069 { c glu 24 B11.14}35.615 22.190 15.759 { o glu 24 B10.62}36.532 23.046 15.724 { c glu 24 B11.14}P 35.615 22.190 15.759 { n asn 25 B9.43}35.139 21.624 14.662 { ca asn 25 B10.96}35.590 21.945 13.302 { c asn 25 B9.68}35.238 23.382 12.920 { o asn 25 B9.33}36.066 24.109 12.333 { c asn 25 B9.68}P 35.238 23.382 12.920 { n val 26 B6.52}34.007 23.745 13.250 { ca val 26 B5.53}33.533 25.097 12.978 { c val 26 B4.42}34.441 26.099 13.684 { o val 26 B3.40}34.883 27.090 13.093 { c val 26 B4.42}P 34.441 26.099 13.684 { n lys 27 B2.64}34.734 25.822 14.949 { ca lys 27 B4.14}35.596 26.715 15.736 { c lys 27 B5.58}36.975 26.826 15.107 { o lys 27 B4.11}37.579 27.926 15.159 { c lys 27 B5.58}P 36.975 26.826 15.107 { n ala 28 B6.61}37.499 25.743 14.571 { ca ala 28 B7.74}38.794 25.761 13.880 { c ala 28 B9.17}38.728 26.591 12.611 { o ala 28 B11.45}39.704 27.346 12.277 { c ala 28 B9.17}P 38.728 26.591 12.611 { n lys 29 B8.96}37.633 26.543 11.867 { ca lys 29 B7.90}37.471 27.391 10.668 { c lys 29 B6.92}37.441 28.882 11.052 { o lys 29 B6.87}38.020 29.772 10.382 { c lys 29 B6.92}P 37.441 28.882 11.052 { n ile 30 B4.57}36.811 29.170 12.192 { ca ile 30 B5.58}36.731 30.570 12.645 { c ile 30 B7.26}38.148 30.981 13.069 { o ile 30 B9.46}38.544 32.150 12.856 { c ile 30 B7.26}P 38.148 30.981 13.069 { n gln 31 B7.06}38.883 30.110 13.713 { ca gln 31 B8.67}40.269 30.508 14.115 { c gln 31 B10.90}41.092 30.808 12.851 { o gln 31 B9.63}41.828 31.808 12.681 { c gln 31 B10.90}P 41.092 30.808 12.851 { n asp 32 B10.93}41.001 29.878 11.931 { ca asp 32 B14.01}41.718 30.022 10.643 { c asp 32 B14.04}41.399 31.338 9.967 { o asp 32 B13.39}42.260 32.036 9.381 { c asp 32 B14.04}P 41.399 31.338 9.967 { n lys 33 B14.22}40.117 31.750 9.988 { ca lys 33 B14.00}39.808 32.994 9.233 { c lys 33 B12.37}39.837 34.271 9.995 { o lys 33 B12.17}40.164 35.323 9.345 { c lys 33 B12.37}P 39.837 34.271 9.995 { n glu 34 B10.11}39.655 34.335 11.285 { ca glu 34 B10.07}39.676 35.547 12.072 { c glu 34 B9.32}40.675 35.527 13.200 { o glu 34 B11.61}40.814 36.528 13.911 { c glu 34 B9.32}P 40.675 35.527 13.200 { n gly 35 B7.22}41.317 34.393 13.432 { ca gly 35 B6.29}42.345 34.269 14.431 { c gly 35 B6.93}41.949 34.076 15.842 { o gly 35 B7.41}42.829 34.000 16.739 { c gly 35 B6.93}P 41.949 34.076 15.842 { n ile 36 B5.86}40.642 33.916 16.112 { ca ile 36 B6.07}40.226 33.716 17.509 { c ile 36 B6.36}40.449 32.278 17.945 { o ile 36 B6.18}39.936 31.336 17.315 { c ile 36 B6.36}P 40.449 32.278 17.945 { n pro 37 B8.65}41.189 32.085 19.031 { ca pro 37 B9.18}41.461 30.751 19.594 { c pro 37 B9.85}40.168 30.026 19.918 { o pro 37 B8.51}39.264 30.662 20.521 { c pro 37 B9.85}P 40.168 30.026 19.918 { n pro 38 B8.71}40.059 28.758 19.607 { ca pro 38 B9.08}38.817 28.020 19.889 { c pro 38 B9.28}38.421 28.048 21.341 { o pro 38 B6.50}37.213 28.036 21.704 { c pro 38 B9.28}P 38.421 28.048 21.341 { n asp 39 B11.20}39.374 28.090 22.240 { ca asp 39 B14.96}39.063 28.063 23.695 { c asp 39 B13.99}38.365 29.335 24.159 { o asp 39 B13.75}37.684 29.390 25.221 { c asp 39 B13.99}P 38.365 29.335 24.159 { n gln 40 B11.60}38.419 30.373 23.341 { ca gln 40 B10.76}37.738 31.637 23.712 { c gln 40 B8.01}36.334 31.742 23.087 { o gln 40 B8.96}35.574 32.618 23.483 { c gln 40 B8.01}P 36.334 31.742 23.087 { n gln 41 B6.52}36.000 30.860 22.172 { ca gln 41 B3.87}34.738 30.875 21.473 { c gln 41 B4.79}33.589 30.189 22.181 { o gln 41 B6.34}33.580 29.009 22.499 { c gln 41 B4.79}P 33.589 30.189 22.181 { n arg 42 B5.73}32.478 30.917 22.269 { ca arg 42 B6.97}31.200 30.329 22.780 { c arg 42 B7.15}30.210 30.509 21.650 { o arg 42 B7.33}29.978 31.726 21.269 { c arg 42 B7.15}P 30.210 30.509 21.650 { n leu 43 B4.65}29.694 29.436 21.054 { ca leu 43 B3.51}28.762 29.573 19.906 { c leu 43 B5.56}27.331 29.317 20.364 { o leu 43 B4.19}27.101 28.346 21.097 { c leu 43 B5.56}P 27.331 29.317 20.364 { n ile 44 B4.58}26.436 30.232 20.004 { ca ile 44 B5.55}25.034 30.170 20.401 { c ile 44 B5.46}24.101 30.149 19.196 { o ile 44 B6.04}24.196 30.948 18.287 { c ile 44 B5.46}P 24.101 30.149 19.196 { n phe 45 B6.75}23.141 29.187 19.241 { ca phe 45 B4.70}22.126 29.062 18.183 { c phe 45 B6.34}20.835 28.629 18.904 { o phe 45 B5.45}20.821 27.734 19.749 { c phe 45 B6.34}P 20.835 28.629 18.904 { n ala 46 B6.53}19.810 29.378 18.578 { ca ala 46 B7.15}18.443 29.143 19.083 { c ala 46 B9.00}18.453 28.941 20.591 { o ala 46 B11.15}17.860 27.994 21.128 { c ala 46 B9.00}P 18.453 28.941 20.591 { n gly 47 B9.35}19.172 29.808 21.243 { ca gly 47 B11.68}19.399 29.894 22.655 { c gly 47 B11.14}20.083 28.729 23.321 { o gly 47 B13.93}19.991 28.584 24.561 { c gly 47 B11.14}P 20.083 28.729 23.321 { n lys 48 B10.47}20.801 27.931 22.578 { ca lys 48 B8.82}21.550 26.796 23.133 { c lys 48 B7.68}23.046 27.087 22.913 { o lys 48 B6.47}23.383 27.627 21.870 { c lys 48 B7.68}P 23.046 27.087 22.913 { n gln 49 B8.89}23.880 26.727 23.851 { ca gln 49 B7.18}25.349 26.872 23.643 { c gln 49 B8.23}25.743 25.586 22.922 { o gln 49 B9.70}25.325 24.489 23.378 { c gln 49 B8.23}P 25.743 25.586 22.922 { n leu 50 B6.51}26.465 25.689 21.833 { ca leu 50 B7.41}26.826 24.521 21.012 { c leu 50 B8.27}27.994 23.781 21.643 { o leu 50 B8.34}28.904 24.444 22.098 { c leu 50 B8.27}P 27.994 23.781 21.643 { n glu 51 B9.43}27.942 22.448 21.648 { ca glu 51 B11.90}29.015 21.657 22.288 { c glu 51 B11.49}29.942 21.106 21.240 { o glu 51 B9.88}29.470 20.677 20.190 { c glu 51 B11.49}P 29.942 21.106 21.240 { n asp 52 B12.71}31.233 21.090 21.459 { ca asp 52 B16.56}32.262 20.670 20.514 { c asp 52 B15.83}32.128 19.364 19.750 { o asp 52 B17.21}32.546 19.317 18.558 { c asp 52 B15.83}P 32.128 19.364 19.750 { n gly 53 B15.00}31.697 18.311 20.406 { ca gly 53 B11.77}31.568 16.962 19.825 { c gly 53 B11.10}30.320 16.698 19.051 { o gly 53 B11.25}30.198 15.657 18.366 { c gly 53 B11.10}P 30.320 16.698 19.051 { n arg 54 B8.53}29.340 17.594 19.076 { ca arg 54 B9.05}28.108 17.439 18.276 { c arg 54 B8.96}28.375 17.999 16.887 { o arg 54 B11.60}29.326 18.786 16.690 { c arg 54 B8.96}P 28.375 17.999 16.887 { n thr 55 B9.05}27.510 17.689 15.954 { ca thr 55 B9.03}27.574 18.192 14.563 { c thr 55 B8.15}26.482 19.280 14.432 { o thr 55 B5.91}25.609 19.388 15.287 { c thr 55 B8.15}P 26.482 19.280 14.432 { n leu 56 B6.91}26.585 20.063 13.378 { ca leu 56 B8.29}25.594 21.109 13.072 { c leu 56 B8.05}24.241 20.436 12.857 { o leu 56 B10.17}23.264 20.951 13.329 { c leu 56 B8.05}P 24.241 20.436 12.857 { n ser 57 B8.92}24.240 19.233 12.246 { ca ser 57 B9.00}22.924 18.583 12.025 { c ser 57 B9.44}22.229 18.244 13.325 { o ser 57 B10.91}20.963 18.253 13.395 { c ser 57 B9.44}P 22.229 18.244 13.325 { n asp 58 B9.11}22.997 17.978 14.366 { ca asp 58 B7.91}22.418 17.638 15.693 { c asp 58 B9.12}21.460 18.737 16.163 { o asp 58 B8.61}20.497 18.506 16.900 { c asp 58 B9.12}P 21.460 18.737 16.163 { n tyr 59 B7.97}21.846 19.954 15.905 { ca tyr 59 B8.45}21.079 21.149 16.251 { c tyr 59 B10.98}20.142 21.590 15.149 { o tyr 59 B12.95}19.499 22.645 15.321 { c tyr 59 B10.98}P 20.142 21.590 15.149 { n asn 60 B12.38}19.993 20.884 14.049 { ca asn 60 B13.94}19.065 21.352 12.999 { c asn 60 B14.16}19.442 22.745 12.510 { o asn 60 B14.26}18.571 23.610 12.289 { c asn 60 B14.16}P 19.442 22.745 12.510 { n ile 61 B11.08}20.717 22.964 12.260 { ca ile 61 B11.78}21.184 24.263 11.690 { c ile 61 B13.74}21.110 24.111 10.173 { o ile 61 B14.60}21.841 23.198 9.686 { c ile 61 B13.74}P 21.110 24.111 10.173 { n gln 62 B13.97}20.291 24.875 9.507 { ca gln 62 B15.52}20.081 24.773 8.033 { c gln 62 B13.94}20.822 25.914 7.332 { o gln 62 B12.15}21.323 26.830 8.008 { c gln 62 B13.94}P 20.822 25.914 7.332 { n lys 63 B11.73}20.924 25.862 6.006 { ca lys 63 B11.97}21.656 26.847 5.240 { c lys 63 B10.41}21.127 28.240 5.574 { o lys 63 B9.59}19.958 28.465 5.842 { c lys 63 B10.41}P 21.127 28.240 5.574 { n glu 64 B10.04}22.099 29.163 5.605 { ca glu 64 B10.94}21.907 30.563 5.881 { c glu 64 B9.74}21.466 30.953 7.261 { o glu 64 B9.42}21.066 32.112 7.533 { c glu 64 B9.74}P 21.466 30.953 7.261 { n ser 65 B6.85}21.674 30.034 8.191 { ca ser 65 B6.90}21.419 30.253 9.620 { c ser 65 B4.72}22.504 31.228 10.136 { o ser 65 B3.91}23.579 31.321 9.554 { c ser 65 B4.72}P 22.504 31.228 10.136 { n thr 66 B4.48}22.241 31.873 11.241 { ca thr 66 B3.80}23.212 32.762 11.891 { c thr 66 B4.60}23.509 32.224 13.290 { o thr 66 B5.33}22.544 31.942 14.034 { c thr 66 B4.60}P 23.509 32.224 13.290 { n leu 67 B4.17}24.790 32.021 13.618 { ca leu 67 B3.85}25.149 31.609 14.980 { c leu 67 B3.80}25.698 32.876 15.669 { o leu 67 B5.54}26.158 33.730 14.894 { c leu 67 B3.80}P 25.698 32.876 15.669 { n his 68 B2.94}25.621 32.945 16.950 { ca his 68 B4.17}26.179 34.127 17.650 { c his 68 B5.32}27.475 33.651 18.304 { o his 68 B7.70}27.507 32.587 18.958 { c his 68 B5.32}P 27.475 33.651 18.304 { n leu 69 B5.29}28.525 34.447 18.189 { ca leu 69 B3.97}29.801 34.145 18.829 { c leu 69 B5.07}30.052 35.042 20.004 { o leu 69 B4.34}30.105 36.305 19.788 { c leu 69 B5.07}P 30.052 35.042 20.004 { n val 70 B4.29}30.124 34.533 21.191 { ca val 70 B6.26}30.479 35.369 22.374 { c val 70 B9.22}31.901 34.910 22.728 { o val 70 B9.36}32.190 33.696 22.635 { c val 70 B9.22}P 31.901 34.910 22.728 { n leu 71 B12.71}32.763 35.831 23.090 { ca leu 71 B16.06}34.145 35.472 23.481 { c leu 71 B18.09}34.239 35.353 24.979 { o leu 71 B19.26}33.707 36.197 25.728 { c leu 71 B18.09}P 34.239 35.353 24.979 { n arg 72 B21.47}34.930 34.384 25.451 { ca arg 72 B25.83}35.161 34.174 26.896 { c arg 72 B27.74}36.671 34.296 27.089 { o arg 72 B30.65}37.305 33.233 26.795 { c arg 72 B27.74}P 36.671 34.296 27.089 { n leu 73 0.45 B28.93}37.197 35.397 27.513 { ca leu 73 0.45 B30.76}38.668 35.502 27.680 { c leu 73 0.45 B32.18}39.076 34.931 29.031 { o leu 73 0.45 B32.31}38.297 34.946 29.996 { c leu 73 0.45 B32.18}P 39.076 34.931 29.031 { n arg 74 0.45 B33.82}40.294 34.412 29.045 { ca arg 74 0.45 B35.33}40.873 33.802 30.253 { c arg 74 0.45 B36.22}41.765 34.829 30.944 { o arg 74 0.45 B36.70}42.945 34.994 30.583 { c arg 74 0.45 B36.22}P 41.765 34.829 30.944 { n gly 75 0.25 B36.31}41.165 35.531 31.898 { ca gly 75 0.25 B36.07}41.845 36.550 32.686 { c gly 75 0.25 B36.16}41.251 37.941 32.588 { o gly 75 0.25 B36.26}41.102 38.523 31.500 { c gly 75 0.25 B36.16}P 41.251 37.941 32.588 { n gly 76 0.25 B36.05}40.946 38.472 33.757 { ca gly 76 0.25 B36.19}40.373 39.813 33.944 { c gly 76 0.25 B36.20}40.031 39.992 35.432 { o gly 76 0.25 B36.13}38.933 40.525 35.687 { c gly 76 0.25 B36.20}P 40.031 39.992 35.432 { oxt gly 76 0.25 B36.27}40.862 39.575 36.251 @vectorlist {mc H} color= gray nobutton master= {mainchain} master= {H's} lens { n met 1 B9.67}P 27.340 24.430 2.614 {1h met 1 B9.67}26.943 23.571 2.289 { n met 1 B9.67}P 27.340 24.430 2.614 {3h met 1 B9.67}27.831 24.267 3.470 { ca met 1 B10.38}P 26.266 25.413 2.842 { ha met 1 B10.38}25.820 25.682 1.873 { n gln 2 B9.27}P 26.335 27.770 3.258 { h gln 2 B9.27}25.556 27.887 2.643 { ca gln 2 B9.07}P 26.850 29.021 3.898 { ha gln 2 B9.07}27.914 28.946 4.166 { n ile 3 B5.87}P 26.849 29.656 6.217 { h ile 3 B5.87}27.847 29.716 6.193 { ca ile 3 B5.07}P 26.235 30.058 7.497 { ha ile 3 B5.07}25.146 30.120 7.357 { n phe 4 B4.55}P 26.214 32.097 8.771 { h phe 4 B4.55}25.366 31.806 9.213 { ca phe 4 B4.68}P 26.772 33.436 9.197 { ha phe 4 B4.68}27.673 33.702 8.624 { n val 5 B4.44}P 28.260 33.943 11.096 { h val 5 B4.44}28.925 34.399 10.504 { ca val 5 B3.87}P 28.605 33.965 12.503 { ha val 5 B3.87}27.867 33.379 13.070 { n lys 6 B6.04}P 27.751 35.867 13.740 { h lys 6 B6.04}27.065 35.280 14.170 { ca lys 6 B6.12}P 27.691 37.315 14.143 { ha lys 6 B6.12}28.135 37.985 13.392 { n thr 7 B7.41}P 29.426 38.430 15.446 { h thr 7 B7.41}29.651 39.032 14.680 { ca thr 7 B7.48}P 30.225 38.643 16.662 { ha thr 7 B7.48}30.166 37.744 17.293 { n leu 8 B9.84}P 30.132 40.069 18.642 { h leu 8 B9.84}30.852 39.530 19.078 { ca leu 8 B14.15}P 29.607 41.180 19.467 { ha leu 8 B14.15}28.514 41.235 19.361 { n thr 9 B18.33}P 30.991 42.571 17.998 { h thr 9 B18.33}31.408 41.788 17.538 { ca thr 9 B19.24}P 31.422 43.940 17.553 { ha thr 9 B19.24}31.112 44.701 18.284 { n gly 10 B19.43}P 29.721 43.673 15.885 { h gly 10 B19.43}29.359 42.893 16.396 { ca gly 10 B18.74}P 28.978 43.960 14.678 {1ha gly 10 B18.74}27.986 43.493 14.763 { n lys 11 B13.56}P 30.563 42.623 13.495 { h lys 11 B13.56}30.931 42.306 14.369 { ca lys 11 B11.91}P 31.191 42.012 12.331 { ha lys 11 B11.91}31.116 42.710 11.484 { n thr 12 B9.63}P 30.163 40.338 10.886 { h thr 12 B9.63}30.321 40.903 10.076 { ca thr 12 B9.85}P 29.542 39.020 10.653 { ha thr 12 B9.85}29.392 38.544 11.633 { n ile 13 B10.42}P 30.795 37.015 10.095 { h ile 13 B10.42}30.472 36.526 10.905 { ca ile 13 B11.84}P 31.720 36.289 9.176 { ha ile 13 B11.84}32.313 37.037 8.629 { n thr 14 B9.39}P 31.244 34.986 7.197 { h thr 14 B9.39}32.057 35.289 6.699 { ca thr 14 B9.63}P 30.505 33.884 6.512 { ha thr 14 B9.63}29.592 33.597 7.054 { n leu 15 B8.29}P 30.884 31.485 6.666 { h leu 15 B8.29}29.915 31.334 6.864 { ca leu 15 B9.03}P 31.677 30.275 6.639 { ha leu 15 B9.03}32.734 30.533 6.477 { n glu 16 B11.04}P 31.834 28.412 5.125 { h glu 16 B11.04}32.795 28.261 5.358 { ca glu 16 B11.50}P 31.220 27.341 4.275 { ha glu 16 B11.50}30.156 27.532 4.069 { n val 17 B8.99}P 30.310 25.458 5.384 { h val 17 B8.99}29.407 25.770 5.087 { ca val 17 B8.85}P 30.288 24.245 6.193 { ha val 17 B8.85}31.295 23.803 6.160 { n glu 18 B7.29}P 29.380 22.057 6.232 { h glu 18 B7.29}30.093 21.846 6.901 { ca glu 18 B7.08}P 28.468 20.940 5.980 { ha glu 18 B7.08}27.746 21.224 5.201 { ca pro 19 B7.07}P 25.829 19.825 8.494 { ha pro 19 B7.07}25.732 20.652 9.213 { n ser 20 B6.80}P 27.361 17.959 8.559 { h ser 20 B6.80}27.563 18.074 7.586 { ca ser 20 B6.28}P 28.054 16.835 9.210 { ha ser 20 B6.28}27.335 16.365 9.897 { n asp 21 B7.50}P 29.599 18.599 9.828 { h asp 21 B7.50}29.125 19.271 9.259 { ca asp 21 B7.70}P 30.796 19.083 10.566 { ha asp 21 B7.70}31.635 18.390 10.404 { n thr 22 B5.37}P 31.510 18.936 12.852 { h thr 22 B5.37}32.419 18.664 12.536 { ca thr 22 B6.01}P 31.398 19.064 14.286 { ha thr 22 B6.01}30.409 18.714 14.618 { n ile 23 B8.32}P 31.113 20.863 15.860 { h ile 23 B8.32}30.616 20.226 16.450 { ca ile 23 B9.92}P 31.288 22.201 16.417 { ha ile 23 B9.92}30.871 22.952 15.730 { n glu 24 B9.54}P 33.548 21.526 16.950 { h glu 24 B9.54}33.223 20.607 17.173 { ca glu 24 B11.81}P 35.031 21.722 17.069 { ha glu 24 B11.81}35.234 22.484 17.836 { n asn 25 B9.43}P 35.139 21.624 14.662 { h asn 25 B9.43}34.425 20.924 14.684 { ca asn 25 B10.96}P 35.590 21.945 13.302 { ha asn 25 B10.96}36.686 21.849 13.311 { n val 26 B6.52}P 34.007 23.745 13.250 { h val 26 B6.52}33.339 23.146 13.691 { ca val 26 B5.53}P 33.533 25.097 12.978 { ha val 26 B5.53}33.583 25.296 11.897 { n lys 27 B2.64}P 34.734 25.822 14.949 { h lys 27 B2.64}34.403 25.017 15.442 { ca lys 27 B4.14}P 35.596 26.715 15.736 { ha lys 27 B4.14}35.138 27.715 15.748 { n ala 28 B6.61}P 37.499 25.743 14.571 { h ala 28 B6.61}37.061 24.845 14.595 { ca ala 28 B7.74}P 38.794 25.761 13.880 { ha ala 28 B7.74}39.520 26.229 14.561 { n lys 29 B8.96}P 37.633 26.543 11.867 { h lys 29 B8.96}36.855 25.944 12.057 { ca lys 29 B7.90}P 37.471 27.391 10.668 { ha lys 29 B7.90}38.335 27.189 10.018 { n ile 30 B4.57}P 36.811 29.170 12.192 { h ile 30 B4.57}36.372 28.500 12.790 { ca ile 30 B5.58}P 36.731 30.570 12.645 { ha ile 30 B5.58}36.361 31.203 11.825 { n gln 31 B7.06}P 38.883 30.110 13.713 { h gln 31 B7.06}38.602 29.185 13.968 { ca gln 31 B8.67}P 40.269 30.508 14.115 { ha gln 31 B8.67}40.174 31.385 14.772 { n asp 32 B10.93}P 41.001 29.878 11.931 { h asp 32 B10.93}40.465 29.039 12.024 { ca asp 32 B14.01}P 41.718 30.022 10.643 { ha asp 32 B14.01}42.807 30.070 10.790 { n lys 33 B14.22}P 40.117 31.750 9.988 { h lys 33 B14.22}39.355 31.305 10.458 { ca lys 33 B14.00}P 39.808 32.994 9.233 { ha lys 33 B14.00}40.630 33.083 8.507 { n glu 34 B10.11}P 39.655 34.335 11.285 { h glu 34 B10.11}39.482 33.520 11.838 { ca glu 34 B10.07}P 39.676 35.547 12.072 { ha glu 34 B10.07}39.966 36.337 11.363 { n gly 35 B7.22}P 41.317 34.393 13.432 { h gly 35 B7.22}41.135 33.546 12.932 { ca gly 35 B6.29}P 42.345 34.269 14.431 {1ha gly 35 B6.29}42.985 33.421 14.146 { n ile 36 B5.86}P 40.642 33.916 16.112 { h ile 36 B5.86}39.906 33.920 15.435 { ca ile 36 B6.07}P 40.226 33.716 17.509 { ha ile 36 B6.07}40.825 34.344 18.185 { ca pro 37 B9.18}P 41.461 30.751 19.594 { ha pro 37 B9.18}42.020 30.081 18.925 { ca pro 38 B9.08}P 38.817 28.020 19.889 { ha pro 38 B9.08}37.933 28.476 19.420 { n asp 39 B11.20}P 39.374 28.090 22.240 { h asp 39 B11.20}40.349 28.142 22.023 { ca asp 39 B14.96}P 39.063 28.063 23.695 { ha asp 39 B14.96}38.321 27.281 23.913 { n gln 40 B11.60}P 38.419 30.373 23.341 { h gln 40 B11.60}38.895 30.385 22.462 { ca gln 40 B10.76}P 37.738 31.637 23.712 { ha gln 40 B10.76}37.673 31.633 24.810 { n gln 41 B6.52}P 36.000 30.860 22.172 { h gln 41 B6.52}36.601 30.111 21.894 { ca gln 41 B3.87}P 34.738 30.875 21.473 { ha gln 41 B3.87}34.488 31.945 21.418 { n arg 42 B5.73}P 32.478 30.917 22.269 { h arg 42 B5.73}32.417 31.881 22.008 { ca arg 42 B6.97}P 31.200 30.329 22.780 { ha arg 42 B6.97}31.240 29.256 23.018 { n leu 43 B4.65}P 29.694 29.436 21.054 { h leu 43 B4.65}29.888 28.493 21.325 { ca leu 43 B3.51}P 28.762 29.573 19.906 { ha leu 43 B3.51}28.829 30.603 19.527 { n ile 44 B4.58}P 26.436 30.232 20.004 { h ile 44 B4.58}26.660 31.025 19.437 { ca ile 44 B5.55}P 25.034 30.170 20.401 { ha ile 44 B5.55}24.920 29.238 20.974 { n phe 45 B6.75}P 23.141 29.187 19.241 { h phe 45 B6.75}23.058 28.514 19.976 { ca phe 45 B4.70}P 22.126 29.062 18.183 { ha phe 45 B4.70}22.021 30.018 17.650 { n ala 46 B6.53}P 19.810 29.378 18.578 { h ala 46 B6.53}19.881 30.163 17.963 { ca ala 46 B7.15}P 18.443 29.143 19.083 { ha ala 46 B7.15}17.807 30.021 18.901 { n gly 47 B9.35}P 19.172 29.808 21.243 { h gly 47 B9.35}19.655 30.535 20.755 { ca gly 47 B11.68}P 19.399 29.894 22.655 {1ha gly 47 B11.68}19.999 30.796 22.848 { n lys 48 B10.47}P 20.801 27.931 22.578 { h lys 48 B10.47}20.893 28.033 21.587 { ca lys 48 B8.82}P 21.550 26.796 23.133 { ha lys 48 B8.82}21.281 26.675 24.193 { n gln 49 B8.89}P 23.880 26.727 23.851 { h gln 49 B8.89}23.612 26.346 24.736 { ca gln 49 B7.18}P 25.349 26.872 23.643 { ha gln 49 B7.18}25.616 27.769 23.065 { n leu 50 B6.51}P 26.465 25.689 21.833 { h leu 50 B6.51}26.819 26.557 21.485 { ca leu 50 B7.41}P 26.826 24.521 21.012 { ha leu 50 B7.41}26.018 23.775 20.973 { n glu 51 B9.43}P 27.942 22.448 21.648 { h glu 51 B9.43}27.207 21.908 21.238 { ca glu 51 B11.90}P 29.015 21.657 22.288 { ha glu 51 B11.90}29.618 22.281 22.965 { n asp 52 B12.71}P 31.233 21.090 21.459 { h asp 52 B12.71}31.619 21.380 22.335 { ca asp 52 B16.56}P 32.262 20.670 20.514 { ha asp 52 B16.56}32.142 21.395 19.696 { n gly 53 B15.00}P 31.697 18.311 20.406 { h gly 53 B15.00}31.420 18.352 21.366 { ca gly 53 B11.77}P 31.568 16.962 19.825 {1ha gly 53 B11.77}32.429 16.786 19.164 { n arg 54 B8.53}P 29.340 17.594 19.076 { h arg 54 B8.53}29.365 18.426 19.630 { ca arg 54 B9.05}P 28.108 17.439 18.276 { ha arg 54 B9.05}27.845 16.371 18.242 { n thr 55 B9.05}P 27.510 17.689 15.954 { h thr 55 B9.05}26.733 17.081 16.118 { ca thr 55 B9.03}P 27.574 18.192 14.563 { ha thr 55 B9.03}28.578 18.589 14.353 { n leu 56 B6.91}P 26.585 20.063 13.378 { h leu 56 B6.91}27.334 20.005 12.717 { ca leu 56 B8.29}P 25.594 21.109 13.072 { ha leu 56 B8.29}25.478 21.831 13.894 { n ser 57 B8.92}P 24.240 19.233 12.246 { h ser 57 B8.92}25.044 18.733 11.925 { ca ser 57 B9.00}P 22.924 18.583 12.025 { ha ser 57 B9.00}22.301 19.315 11.491 { n asp 58 B9.11}P 22.997 17.978 14.366 { h asp 58 B9.11}23.997 17.985 14.340 { ca asp 58 B7.91}P 22.418 17.638 15.693 { ha asp 58 B7.91}21.848 16.707 15.557 { n tyr 59 B7.97}P 21.846 19.954 15.905 { h tyr 59 B7.97}22.709 20.160 15.444 { ca tyr 59 B8.45}P 21.079 21.149 16.251 { ha tyr 59 B8.45}20.433 20.924 17.112 { n asn 60 B12.38}P 19.993 20.884 14.049 { h asn 60 B12.38}20.468 20.027 13.850 { ca asn 60 B13.94}P 19.065 21.352 12.999 { ha asn 60 B13.94}19.162 20.666 12.145 { n ile 61 B11.08}P 20.717 22.964 12.260 { h ile 61 B11.08}21.444 22.298 12.428 { ca ile 61 B11.78}P 21.184 24.263 11.690 { ha ile 61 B11.78}20.573 25.119 12.012 { n gln 62 B13.97}P 20.291 24.875 9.507 { h gln 62 B13.97}19.741 25.589 9.939 { ca gln 62 B15.52}P 20.081 24.773 8.033 { ha gln 62 B15.52}20.502 23.834 7.644 { n lys 63 B11.73}P 20.924 25.862 6.006 { h lys 63 B11.73}20.506 25.144 5.449 { ca lys 63 B11.97}P 21.656 26.847 5.240 { ha lys 63 B11.97}22.709 26.730 5.534 { n glu 64 B10.04}P 22.099 29.163 5.605 { h glu 64 B10.04}23.056 28.932 5.432 { ca glu 64 B10.94}P 21.907 30.563 5.881 { ha glu 64 B10.94}22.929 30.967 5.849 { n ser 65 B6.85}P 21.674 30.034 8.191 { h ser 65 B6.85}22.022 29.120 7.984 { ca ser 65 B6.90}P 21.419 30.253 9.620 { ha ser 65 B6.90}20.402 30.639 9.782 { n thr 66 B4.48}P 22.241 31.873 11.241 { h thr 66 B4.48}21.366 31.809 11.721 { ca thr 66 B3.80}P 23.212 32.762 11.891 { ha thr 66 B3.80}24.124 32.777 11.276 { n leu 67 B4.17}P 24.790 32.021 13.618 { h leu 67 B4.17}25.561 32.129 12.991 { ca leu 67 B3.85}P 25.149 31.609 14.980 { ha leu 67 B3.85}24.275 31.160 15.476 { n his 68 B2.94}P 25.621 32.945 16.950 { h his 68 B2.94}25.206 32.252 17.539 { ca his 68 B4.17}P 26.179 34.127 17.650 { ha his 68 B4.17}26.332 34.965 16.954 { n leu 69 B5.29}P 28.525 34.447 18.189 { h leu 69 B5.29}28.521 35.298 17.665 { ca leu 69 B3.97}P 29.801 34.145 18.829 { ha leu 69 B3.97}29.788 33.116 19.218 { n val 70 B4.29}P 30.124 34.533 21.191 { h val 70 B4.29}29.952 33.570 21.399 { ca val 70 B6.26}P 30.479 35.369 22.374 { ha val 70 B6.26}30.451 36.451 22.180 { n leu 71 B12.71}P 32.763 35.831 23.090 { h leu 71 B12.71}32.559 36.809 23.128 { ca leu 71 B16.06}P 34.145 35.472 23.481 { ha leu 71 B16.06}34.397 34.502 23.028 { n arg 72 B21.47}P 34.930 34.384 25.451 { h arg 72 B21.47}35.366 33.695 24.873 { ca arg 72 B25.83}P 35.161 34.174 26.896 { ha arg 72 B25.83}34.602 34.895 27.510 { n leu 73 0.45 B28.93}P 37.197 35.397 27.513 { h leu 73 0.45 B28.93}36.682 36.221 27.749 { ca leu 73 0.45 B30.76}P 38.668 35.502 27.680 { ha leu 73 0.45 B30.76}39.154 34.921 26.883 { n arg 74 0.45 B33.82}P 40.294 34.412 29.045 { h arg 74 0.45 B33.82}40.899 34.397 28.249 { ca arg 74 0.45 B35.33}P 40.873 33.802 30.253 { ha arg 74 0.45 B35.33}40.059 33.506 30.931 { n gly 75 0.25 B36.31}P 41.165 35.531 31.898 { h gly 75 0.25 B36.31}40.203 35.410 32.143 { ca gly 75 0.25 B36.07}P 41.845 36.550 32.686 {1ha gly 75 0.25 B36.07}41.840 36.239 33.741 { n gly 76 0.25 B36.05}P 40.946 38.472 33.757 { h gly 76 0.25 B36.05}41.088 37.985 34.619 { ca gly 76 0.25 B36.19}P 40.373 39.813 33.944 {1ha gly 76 0.25 B36.19}41.089 40.583 33.621 @vectorlist {Calphas} color= white master= {Calphas} off { ca met 1 B10.38}P 26.266 25.413 2.842 {"}26.266 25.413 2.842 { ca gln 2 B9.07}26.850 29.021 3.898 { ca ile 3 B5.07}26.235 30.058 7.497 { ca phe 4 B4.68}26.772 33.436 9.197 { ca val 5 B3.87}28.605 33.965 12.503 { ca lys 6 B6.12}27.691 37.315 14.143 { ca thr 7 B7.48}30.225 38.643 16.662 { ca leu 8 B14.15}29.607 41.180 19.467 { ca thr 9 B19.24}31.422 43.940 17.553 { ca gly 10 B18.74}28.978 43.960 14.678 { ca lys 11 B11.91}31.191 42.012 12.331 { ca thr 12 B9.85}29.542 39.020 10.653 { ca ile 13 B11.84}31.720 36.289 9.176 { ca thr 14 B9.63}30.505 33.884 6.512 { ca leu 15 B9.03}31.677 30.275 6.639 { ca glu 16 B11.50}31.220 27.341 4.275 { ca val 17 B8.85}30.288 24.245 6.193 { ca glu 18 B7.08}28.468 20.940 5.980 { ca pro 19 B7.07}25.829 19.825 8.494 { ca ser 20 B6.28}28.054 16.835 9.210 { ca asp 21 B7.70}30.796 19.083 10.566 { ca thr 22 B6.01}31.398 19.064 14.286 { ca ile 23 B9.92}31.288 22.201 16.417 { ca glu 24 B11.81}35.031 21.722 17.069 { ca asn 25 B10.96}35.590 21.945 13.302 { ca val 26 B5.53}33.533 25.097 12.978 { ca lys 27 B4.14}35.596 26.715 15.736 { ca ala 28 B7.74}38.794 25.761 13.880 { ca lys 29 B7.90}37.471 27.391 10.668 { ca ile 30 B5.58}36.731 30.570 12.645 { ca gln 31 B8.67}40.269 30.508 14.115 { ca asp 32 B14.01}41.718 30.022 10.643 { ca lys 33 B14.00}39.808 32.994 9.233 { ca glu 34 B10.07}39.676 35.547 12.072 { ca gly 35 B6.29}42.345 34.269 14.431 { ca ile 36 B6.07}40.226 33.716 17.509 { ca pro 37 B9.18}41.461 30.751 19.594 { ca pro 38 B9.08}38.817 28.020 19.889 { ca asp 39 B14.96}39.063 28.063 23.695 { ca gln 40 B10.76}37.738 31.637 23.712 { ca gln 41 B3.87}34.738 30.875 21.473 { ca arg 42 B6.97}31.200 30.329 22.780 { ca leu 43 B3.51}28.762 29.573 19.906 { ca ile 44 B5.55}25.034 30.170 20.401 { ca phe 45 B4.70}22.126 29.062 18.183 { ca ala 46 B7.15}18.443 29.143 19.083 { ca gly 47 B11.68}19.399 29.894 22.655 { ca lys 48 B8.82}21.550 26.796 23.133 { ca gln 49 B7.18}25.349 26.872 23.643 { ca leu 50 B7.41}26.826 24.521 21.012 { ca glu 51 B11.90}29.015 21.657 22.288 { ca asp 52 B16.56}32.262 20.670 20.514 { ca gly 53 B11.77}31.568 16.962 19.825 { ca arg 54 B9.05}28.108 17.439 18.276 { ca thr 55 B9.03}27.574 18.192 14.563 { ca leu 56 B8.29}25.594 21.109 13.072 { ca ser 57 B9.00}22.924 18.583 12.025 { ca asp 58 B7.91}22.418 17.638 15.693 { ca tyr 59 B8.45}21.079 21.149 16.251 { ca asn 60 B13.94}19.065 21.352 12.999 { ca ile 61 B11.78}21.184 24.263 11.690 { ca gln 62 B15.52}20.081 24.773 8.033 { ca lys 63 B11.97}21.656 26.847 5.240 { ca glu 64 B10.94}21.907 30.563 5.881 { ca ser 65 B6.90}21.419 30.253 9.620 { ca thr 66 B3.80}23.212 32.762 11.891 { ca leu 67 B3.85}25.149 31.609 14.980 { ca his 68 B4.17}26.179 34.127 17.650 { ca leu 69 B3.97}29.801 34.145 18.829 { ca val 70 B6.26}30.479 35.369 22.374 { ca leu 71 B16.06}34.145 35.472 23.481 { ca arg 72 B25.83}35.161 34.174 26.896 { ca leu 73 0.45 B30.76}38.668 35.502 27.680 { ca arg 74 0.45 B35.33}40.873 33.802 30.253 { ca gly 75 0.25 B36.07}41.845 36.550 32.686 { ca gly 76 0.25 B36.19}40.373 39.813 33.944 @subgroup {sidechain} master= {sidechain} @vectorlist {sc} color= cyan master= {sidechain} { ca met 1 B10.38}P 26.266 25.413 2.842 { cb met 1 B13.77}25.112 24.880 3.649 { cg met 1 B16.29}25.353 24.860 5.134 { sd met 1 B17.17}23.930 23.959 5.904 { ce met 1 B16.11}24.447 23.984 7.620 { ca gln 2 B9.07}P 26.850 29.021 3.898 { cb gln 2 B14.46}26.733 30.148 2.905 { cg gln 2 B17.01}26.882 31.546 3.409 { cd gln 2 B20.10}26.786 32.562 2.270 { oe1 gln 2 B21.89}27.783 33.160 1.870 { cd gln 2 B20.10}P 26.786 32.562 2.270 { ne2 gln 2 B19.49}25.562 32.733 1.806 { ca ile 3 B5.07}P 26.235 30.058 7.497 { cb ile 3 B6.55}26.344 29.050 8.645 { cg1 ile 3 B4.72}27.810 28.748 8.999 { cd1 ile 3 B10.83}27.967 28.087 10.417 { cb ile 3 B6.55}P 26.344 29.050 8.645 { cg2 ile 3 B5.58}25.491 27.771 8.287 { ca phe 4 B4.68}P 26.772 33.436 9.197 { cb phe 4 B4.83}25.695 34.498 8.946 { cg phe 4 B7.97}25.288 34.609 7.499 { cd1 phe 4 B6.69}24.147 33.966 7.038 { ce1 phe 4 B9.10}23.812 34.031 5.677 { cz phe 4 B8.90}24.620 34.778 4.853 { cg phe 4 B7.97}P 25.288 34.609 7.499 { cd2 phe 4 B8.34}26.136 35.346 6.640 { ce2 phe 4 B10.61}25.810 35.392 5.267 { cz phe 4 B8.90}24.620 34.778 4.853 { ca val 5 B3.87}P 28.605 33.965 12.503 { cb val 5 B2.99}29.963 33.317 12.814 { cg1 val 5 B5.28}30.211 33.394 14.304 { cb val 5 B2.99}P 29.963 33.317 12.814 { cg2 val 5 B9.13}29.957 31.838 12.352 { ca lys 6 B6.12}P 27.691 37.315 14.143 { cb lys 6 B7.45}26.219 37.684 14.307 { cg lys 6 B11.12}25.884 39.139 14.615 { cd lys 6 B14.54}24.348 39.296 14.642 { ce lys 6 B18.84}23.865 40.723 14.749 { nz lys 6 B20.55}22.375 40.720 14.907 { ca thr 7 B7.48}P 30.225 38.643 16.662 { cb thr 7 B9.61}31.744 38.879 16.299 { og1 thr 7 B11.78}31.737 40.257 15.824 { cb thr 7 B9.61}P 31.744 38.879 16.299 { cg2 thr 7 B9.17}32.260 37.969 15.171 { ca leu 8 B14.15}P 29.607 41.180 19.467 { cb leu 8 B16.63}29.919 40.890 20.938 { cg leu 8 B18.88}29.183 39.722 21.581 { cd1 leu 8 B19.31}29.308 39.750 23.095 { cg leu 8 B18.88}P 29.183 39.722 21.581 { cd2 leu 8 B18.59}27.700 39.721 21.228 { ca thr 9 B19.24}P 31.422 43.940 17.553 { cb thr 9 B18.97}32.979 43.918 17.445 { og1 thr 9 B20.24}33.174 43.067 16.265 { cb thr 9 B18.97}P 32.979 43.918 17.445 { cg2 thr 9 B19.70}33.657 43.319 18.672 { ca lys 11 B11.91}P 31.191 42.012 12.331 { cb lys 11 B13.43}32.672 41.717 12.505 { cg lys 11 B16.69}33.280 41.086 11.227 { cd lys 11 B17.92}34.762 40.799 11.470 { ce lys 11 B20.81}35.614 40.847 10.240 { nz lys 11 B21.93}35.100 40.073 9.101 { ca thr 12 B9.85}P 29.542 39.020 10.653 { cb thr 12 B10.85}28.113 39.049 10.015 { og1 thr 12 B10.91}27.280 39.722 10.996 { cb thr 12 B10.85}P 28.113 39.049 10.015 { cg2 thr 12 B9.63}27.588 37.635 9.715 { ca ile 13 B11.84}P 31.720 36.289 9.176 { cb ile 13 }32.706 35.387 9.942 { cg1 ile 13 }33.553 36.220 10.905 { cd1 ile 13 }33.991 35.466 12.141 { cb ile 13 }P 32.706 35.387 9.942 { cg2 ile 13 }33.638 34.675 8.974 { ca thr 14 B9.63}P 30.505 33.884 6.512 { cb thr 14 B10.38}30.091 34.393 5.078 { og1 thr 14 B16.30}31.440 34.513 4.487 { cb thr 14 B10.38}P 30.091 34.393 5.078 { cg2 thr 14 B11.66}29.420 35.756 5.119 { ca leu 15 B9.03}P 31.677 30.275 6.639 { cb leu 15 }31.598 29.531 7.973 { cg leu 15 }32.397 30.131 9.132 { cd1 leu 15 }32.188 29.321 10.403 { cg leu 15 }P 32.397 30.131 9.132 { cd2 leu 15 }33.882 30.140 8.813 { ca glu 16 B11.50}P 31.220 27.341 4.275 { cb glu 16 B17.22}31.827 27.262 2.894 { cg glu 16 B23.33}31.363 28.410 1.962 { cd glu 16 B26.99}31.671 28.291 0.498 { oe1 glu 16 B28.86}30.869 28.621 -0.366 { cd glu 16 B26.99}P 31.671 28.291 0.498 { oe2 glu 16 B28.90}32.835 27.861 0.278 { ca val 17 B8.85}P 30.288 24.245 6.193 { cb val 17 B9.78}29.903 24.590 7.665 { cg1 val 17 B12.05}30.862 25.496 8.389 { cb val 17 B9.78}P 29.903 24.590 7.665 { cg2 val 17 B10.54}28.476 25.135 7.705 { ca glu 18 B7.08}P 28.468 20.940 5.980 { cb glu 18 B10.28}29.213 19.697 5.506 { cg glu 18 B12.65}29.728 19.755 4.060 { cd glu 18 B14.15}28.754 20.061 2.978 { oe1 glu 18 B14.33}27.546 19.992 2.985 { cd glu 18 B14.15}P 28.754 20.061 2.978 { oe2 glu 18 B18.17}29.336 20.423 1.904 { ca pro 19 B7.07}P 25.829 19.825 8.494 { cb pro 19 B7.61}24.469 19.332 7.952 { cg pro 19 B8.16}24.299 20.134 6.704 { cd pro 19 B7.49}25.714 20.108 6.073 { n pro 19 B7.24}P 26.559 20.220 7.288 { cd pro 19 B7.49}25.714 20.108 6.073 { ca ser 20 B6.28}P 28.054 16.835 9.210 { cb ser 20 B8.57}28.523 15.820 8.182 { og ser 20 B11.13}28.946 16.445 6.967 { ca asp 21 B7.70}P 30.796 19.083 10.566 { cb asp 21 B11.00}31.155 20.515 10.048 { cg asp 21 B15.32}31.923 20.436 8.755 { od1 asp 21 B18.03}32.493 19.374 8.456 { cg asp 21 B15.32}P 31.923 20.436 8.755 { od2 asp 21 B14.36}31.838 21.402 7.968 { ca thr 22 B6.01}P 31.398 19.064 14.286 { cb thr 22 B8.92}32.492 18.193 14.995 { og1 thr 22 B10.22}33.778 18.739 14.516 { cb thr 22 B8.92}P 32.492 18.193 14.995 { cg2 thr 22 B9.65}32.352 16.700 14.630 { ca ile 23 B9.92}P 31.288 22.201 16.417 { cb ile 23 B10.78}30.520 22.300 17.764 { cg1 ile 23 B11.38}29.006 22.043 17.442 { cd1 ile 23 B12.30}28.407 22.948 16.366 { cb ile 23 B10.78}P 30.520 22.300 17.764 { cg2 ile 23 B10.90}30.832 23.699 18.358 { ca glu 24 B11.81}P 35.031 21.722 17.069 { cb glu 24 B19.24}35.667 20.383 17.447 { cg glu 24 B27.76}37.128 20.293 17.872 { cd glu 24 B32.92}37.561 18.851 18.082 { oe1 glu 24 B34.80}37.758 18.024 17.195 { cd glu 24 B32.92}P 37.561 18.851 18.082 { oe2 glu 24 B36.51}37.628 18.599 19.313 { ca asn 25 B10.96}P 35.590 21.945 13.302 { cb asn 25 B16.78}35.064 20.957 12.255 { cg asn 25 B22.31}35.541 21.418 10.871 { od1 asn 25 B25.66}34.628 21.595 9.920 { cg asn 25 B22.31}P 35.541 21.418 10.871 { nd2 asn 25 B24.70}36.772 21.623 10.676 { ca val 26 B5.53}P 33.533 25.097 12.978 { cb val 26 B3.86}32.060 25.257 13.364 { cg1 val 26 B7.25}31.684 26.749 13.342 { cb val 26 B3.86}P 32.060 25.257 13.364 { cg2 val 26 B8.12}31.152 24.421 12.477 { ca lys 27 B4.14}P 35.596 26.715 15.736 { cb lys 27 B3.97}35.715 26.203 17.172 { cg lys 27 B7.45}34.343 26.445 17.898 { cd lys 27 B9.02}34.509 26.077 19.360 { ce lys 27 B12.90}33.206 26.311 20.122 { nz lys 27 B15.47}33.455 25.910 21.546 { ca ala 28 B7.74}P 38.794 25.761 13.880 { cb ala 28 B7.68}39.285 24.336 13.566 { ca lys 29 B7.90}P 37.471 27.391 10.668 { cb lys 29 B10.28}36.193 27.058 9.911 { cg lys 29 B14.94}36.153 25.620 9.409 { cd lys 29 B19.69}34.758 25.280 8.900 { ce lys 29 B22.63}34.793 24.264 7.767 { nz lys 29 B24.98}34.914 24.944 6.441 { ca ile 30 B5.58}P 36.731 30.570 12.645 { cb ile 30 B5.36}35.708 30.776 13.806 { cg1 ile 30 B2.94}34.228 30.630 13.319 { cd1 ile 30 B2.00}33.284 30.504 14.552 { cb ile 30 B5.36}P 35.708 30.776 13.806 { cg2 ile 30 B2.78}35.874 32.138 14.512 { ca gln 31 B8.67}P 40.269 30.508 14.115 { cb gln 31 B9.12}40.996 29.399 14.865 { cg gln 31 B10.76}42.445 29.848 15.182 { cd gln 31 B13.78}43.090 28.828 16.095 { oe1 gln 31 B14.48}42.770 27.655 15.906 { cd gln 31 B13.78}P 43.090 28.828 16.095 { ne2 gln 31 B14.76}43.898 29.252 17.050 { ca asp 32 B14.01}P 41.718 30.022 10.643 { cb asp 32 B18.01}41.398 28.780 9.810 { cg asp 32 B24.33}42.626 28.557 8.928 { od1 asp 32 B26.29}43.666 28.262 9.539 { cg asp 32 B24.33}P 42.626 28.557 8.928 { od2 asp 32 B25.17}42.430 28.812 7.728 { ca lys 33 B14.00}P 39.808 32.994 9.233 { cb lys 33 }38.432 32.849 8.581 { cg lys 33 }38.022 34.037 7.726 { cd lys 33 }36.737 33.752 6.966 { ce lys 33 }36.261 34.980 6.206 { nz lys 33 }34.972 34.735 5.505 { ca glu 34 B10.07}P 39.676 35.547 12.072 { cb glu 34 B14.77}38.290 35.814 12.698 { cg glu 34 B18.75}37.156 35.985 11.688 { cd glu 34 B22.28}37.192 37.361 11.033 { oe1 glu 34 B21.95}37.519 38.360 11.645 { cd glu 34 B22.28}P 37.192 37.361 11.033 { oe2 glu 34 B25.19}36.861 37.320 9.822 { ca ile 36 B6.07}P 40.226 33.716 17.509 { cb ile 36 B7.47}38.693 34.106 17.595 { cg1 ile 36 B8.52}38.471 35.546 17.045 { cd1 ile 36 B9.49}36.958 35.746 16.680 { cb ile 36 B7.47}P 38.693 34.106 17.595 { cg2 ile 36 B7.36}38.146 33.932 19.027 { ca pro 37 B9.18}P 41.461 30.751 19.594 { cb pro 37 B11.42}42.195 31.142 20.913 { cg pro 37 B9.27}42.904 32.414 20.553 { cd pro 37 B8.33}41.822 33.188 19.813 { n pro 37 B8.65}P 41.189 32.085 19.031 { cd pro 37 B8.33}41.822 33.188 19.813 { ca pro 38 B9.08}P 38.817 28.020 19.889 { cb pro 38 B10.31}39.090 26.629 19.325 { cg pro 38 B10.81}40.082 26.904 18.198 { cd pro 38 B12.00}41.035 27.909 18.879 { n pro 38 B8.71}P 40.059 28.758 19.607 { cd pro 38 B12.00}41.035 27.909 18.879 { ca asp 39 B14.96}P 39.063 28.063 23.695 { cb asp 39 B24.16}40.340 27.692 24.468 { cg asp 39 B31.06}40.559 28.585 25.675 { od1 asp 39 B35.55}40.716 29.809 25.456 { cg asp 39 B31.06}P 40.559 28.585 25.675 { od2 asp 39 B34.22}40.549 28.090 26.840 { ca gln 40 B10.76}P 37.738 31.637 23.712 { cb gln 40 B11.14}38.528 32.854 23.182 { cg gln 40 B14.85}39.919 32.854 23.840 { cd gln 40 B16.11}40.760 34.036 23.394 { oe1 gln 40 B20.52}40.140 35.007 22.775 { cd gln 40 B16.11}P 40.760 34.036 23.394 { ne2 gln 40 B18.16}41.975 34.008 23.624 { ca gln 41 B3.87}P 34.738 30.875 21.473 { cb gln 41 B4.20}34.876 30.237 20.066 { cg gln 41 B3.20}36.012 30.860 19.221 { cd gln 41 B4.89}36.083 30.194 17.875 { oe1 gln 41 B5.21}35.048 29.702 17.393 { cd gln 41 B4.89}P 36.083 30.194 17.875 { ne2 gln 41 B7.13}37.228 30.126 17.233 { ca arg 42 B6.97}P 31.200 30.329 22.780 { cb arg 42 B13.23}30.847 30.931 24.118 { cg arg 42 B21.27}29.412 30.796 24.598 { cd arg 42 B26.14}29.271 31.314 26.016 { ne arg 42 B32.26}27.875 31.317 26.443 { cz arg 42 B34.32}27.132 32.423 26.574 { nh1 arg 42 B35.30}27.630 33.656 26.461 { cz arg 42 B34.32}P 27.132 32.423 26.574 { nh2 arg 42 B36.39}25.810 32.299 26.732 { ca leu 43 B3.51}P 28.762 29.573 19.906 { cb leu 43 B3.74}29.151 28.655 18.755 { cg leu 43 B6.32}30.416 28.912 17.980 { cd1 leu 43 B9.55}30.738 27.693 17.122 { cg leu 43 B6.32}P 30.416 28.912 17.980 { cd2 leu 43 B6.41}30.205 30.168 17.129 { ca ile 44 B5.55}P 25.034 30.170 20.401 { cb ile 44 B6.80}24.639 31.426 21.286 { cg1 ile 44 B10.31}25.646 31.670 22.421 { cd1 ile 44 B13.90}25.778 30.436 23.356 { cb ile 44 B6.80}P 24.639 31.426 21.286 { cg2 ile 44 B7.39}23.181 31.309 21.824 { ca phe 45 B4.70}P 22.126 29.062 18.183 { cb phe 45 B5.51}22.494 28.057 17.109 { cg phe 45 B5.98}21.447 27.869 16.026 { cd1 phe 45 B6.86}21.325 28.813 15.005 { ce1 phe 45 B6.68}20.369 28.648 14.001 { cz phe 45 B6.84}19.593 27.465 14.021 { cg phe 45 B5.98}P 21.447 27.869 16.026 { cd2 phe 45 B5.87}20.638 26.735 16.053 { ce2 phe 45 B6.64}19.677 26.539 15.051 { cz phe 45 B6.84}19.593 27.465 14.021 { ca ala 46 B7.15}P 18.443 29.143 19.083 { cb ala 46 B8.99}17.864 27.977 18.346 { ca lys 48 B8.82}P 21.550 26.796 23.133 { cb lys 48 B9.74}21.242 25.519 22.391 { cg lys 48 B14.14}19.762 25.077 22.455 { cd lys 48 B16.32}19.634 23.885 21.531 { ce lys 48 B20.04}18.791 24.221 20.313 { nz lys 48 B23.92}17.440 24.655 20.827 { ca gln 49 B7.18}P 25.349 26.872 23.643 { cb gln 49 B11.67}26.070 27.025 24.960 { cg gln 49 B15.82}27.553 27.356 24.695 { cd gln 49 B20.21}28.262 27.576 26.020 { oe1 gln 49 B23.23}27.777 28.585 26.739 { cd gln 49 B20.21}P 28.262 27.576 26.020 { ne2 gln 49 B20.67}29.189 26.840 26.335 { ca leu 50 B7.41}P 26.826 24.521 21.012 { cb leu 50 B7.13}27.043 24.992 19.571 { cg leu 50 B7.53}25.931 25.844 18.959 { cd1 leu 50 B8.14}26.203 26.083 17.471 { cg leu 50 B7.53}P 25.931 25.844 18.959 { cd2 leu 50 B9.11}24.577 25.190 19.079 { ca glu 51 B11.90}P 29.015 21.657 22.288 { cb glu 51 B16.56}28.348 20.540 23.066 { cg glu 51 B26.06}29.247 19.456 23.705 { cd glu 51 B29.86}28.722 19.047 25.066 { oe1 glu 51 B32.13}29.139 18.132 25.746 { cd glu 51 B29.86}P 28.722 19.047 25.066 { oe2 glu 51 B33.44}27.777 19.842 25.367 { ca asp 52 B16.56}P 32.262 20.670 20.514 { cb asp 52 B21.05}33.638 20.716 21.242 { cg asp 52 B25.12}34.174 22.129 21.354 { od1 asp 52 B28.37}35.252 22.322 21.958 { cg asp 52 B25.12}P 34.174 22.129 21.354 { od2 asp 52 B25.82}33.544 23.086 20.883 { ca arg 54 B9.05}P 28.108 17.439 18.276 { cb arg 54 B7.97}26.926 18.191 18.892 { cg arg 54 B9.62}26.621 17.799 20.352 { cd arg 54 B12.20}26.010 16.370 20.280 { ne arg 54 B18.23}26.975 15.521 20.942 { cz arg 54 B22.08}27.603 14.423 20.655 { nh1 arg 54 B23.38}27.479 13.733 19.537 { cz arg 54 B22.08}P 27.603 14.423 20.655 { nh2 arg 54 B25.50}28.519 13.967 21.550 { ca thr 55 B9.03}P 27.574 18.192 14.563 { cb thr 55 B11.15}27.299 17.055 13.533 { og1 thr 55 B11.95}25.925 16.611 13.913 { cb thr 55 B11.15}P 27.299 17.055 13.533 { cg2 thr 55 B11.71}28.236 15.864 13.558 { ca leu 56 B8.29}P 25.594 21.109 13.072 { cb leu 56 B6.60}26.084 21.888 11.833 { cg leu 56 B7.73}27.426 22.616 11.902 { cd1 leu 56 B9.85}27.718 23.341 10.578 { cg leu 56 B7.73}P 27.426 22.616 11.902 { cd2 leu 56 B8.64}27.380 23.721 12.955 { ca ser 57 B9.00}P 22.924 18.583 12.025 { cb ser 57 B10.32}23.059 17.326 11.154 { og ser 57 B13.59}23.914 16.395 11.755 { ca asp 58 B7.91}P 22.418 17.638 15.693 { cb asp 58 B8.41}23.461 17.331 16.741 { cg asp 58 B11.50}24.184 16.016 16.619 { od1 asp 58 B10.05}25.303 15.894 17.152 { cg asp 58 B11.50}P 24.184 16.016 16.619 { od2 asp 58 B11.70}23.572 15.107 15.975 { ca tyr 59 B8.45}P 21.079 21.149 16.251 { cb tyr 59 B7.94}22.085 22.254 16.581 { cg tyr 59 B6.91}22.945 21.951 17.785 { cd1 tyr 59 B4.59}24.272 21.544 17.644 { ce1 tyr 59 B5.39}25.052 21.285 18.776 { cz tyr 59 B6.76}24.517 21.470 20.030 { oh tyr 59 B7.63}25.248 21.302 21.191 { cg tyr 59 B6.91}P 22.945 21.951 17.785 { cd2 tyr 59 B6.98}22.437 22.157 19.065 { ce2 tyr 59 B6.52}23.204 21.907 20.192 { cz tyr 59 B6.76}24.517 21.470 20.030 { ca asn 60 B13.94}P 19.065 21.352 12.999 { cb asn 60 B19.23}17.586 21.282 13.461 { cg asn 60 B22.65}16.576 21.258 12.315 { od1 asn 60 B25.45}16.924 20.586 11.216 { cg asn 60 B22.65}P 16.576 21.258 12.315 { nd2 asn 60 B24.09}15.440 21.819 12.378 { ca ile 61 B11.78}P 21.184 24.263 11.690 { cb ile 61 B11.80}22.650 24.516 12.172 { cg1 ile 61 B11.56}22.662 24.819 13.699 { cd1 ile 61 B11.42}24.123 24.981 14.195 { cb ile 61 B11.80}P 22.650 24.516 12.172 { cg2 ile 61 B13.29}23.376 25.645 11.409 { ca gln 62 B15.52}P 20.081 24.773 8.033 { cb gln 62 B19.53}18.599 24.736 7.727 { cg gln 62 B26.38}17.819 23.434 7.900 { cd gln 62 B30.61}16.509 23.529 7.116 { oe1 gln 62 B33.23}16.539 24.293 6.009 { cd gln 62 B30.61}P 16.509 23.529 7.116 { ne2 gln 62 B32.71}15.446 22.980 7.433 { ca lys 63 B11.97}P 21.656 26.847 5.240 { cb lys 63 B13.73}21.631 26.642 3.731 { cg lys 63 B16.98}20.210 26.423 3.175 { cd lys 63 B20.19}20.268 26.589 1.656 { ce lys 63 B23.42}19.202 25.857 0.891 { nz lys 63 B25.97}17.884 26.544 1.075 { ca glu 64 B10.94}P 21.907 30.563 5.881 { cb glu 64 B18.31}21.023 31.223 4.784 { cg glu 64 B24.16}21.861 31.342 3.474 { cd glu 64 B29.00}21.156 30.726 2.311 { oe1 glu 64 B31.72}19.942 30.793 2.170 { cd glu 64 B29.00}P 21.156 30.726 2.311 { oe2 glu 64 B32.61}21.954 30.152 1.535 { ca ser 65 B6.90}P 21.419 30.253 9.620 { cb ser 65 B7.28}21.637 28.923 10.353 { og ser 65 B10.56}20.544 28.047 10.059 { ca thr 66 B3.80}P 23.212 32.762 11.891 { cb thr 66 B2.85}22.699 34.267 11.985 { og1 thr 66 B2.15}22.495 34.690 10.589 { cb thr 66 B2.85}P 22.699 34.267 11.985 { cg2 thr 66 B3.40}23.727 35.131 12.722 { ca leu 67 B3.85}P 25.149 31.609 14.980 { cb leu 67 B7.18}26.310 30.594 14.967 { cg leu 67 B9.67}26.290 29.480 13.960 { cd1 leu 67 B8.12}27.393 28.442 14.229 { cg leu 67 B9.67}P 26.290 29.480 13.960 { cd2 leu 67 B11.66}24.942 28.807 13.952 { ca his 68 B4.17}P 26.179 34.127 17.650 { cb his 68 B5.57}25.214 34.565 18.780 { cg his 68 B9.95}23.978 35.121 18.126 { nd1 his 68 B13.74}23.853 36.432 17.781 { ce1 his 68 B14.75}22.674 36.627 17.200 { ne2 his 68 B16.30}22.045 35.455 17.173 { ce1 his 68 B14.75}22.674 36.627 17.200 { cg his 68 B9.95}P 23.978 35.121 18.126 { cd2 his 68 B12.79}22.824 34.514 17.782 { ne2 his 68 B16.30}22.045 35.455 17.173 { ce1 his 68 B14.75}22.674 36.627 17.200 { ca leu 69 B3.97}P 29.801 34.145 18.829 { cb leu 69 B6.08}30.925 34.304 17.753 { cg leu 69 B7.37}32.345 34.183 18.358 { cd1 leu 69 B6.87}32.555 32.783 18.870 { cg leu 69 B7.37}P 32.345 34.183 18.358 { cd2 leu 69 B9.96}33.361 34.491 17.245 { ca val 70 B6.26}P 30.479 35.369 22.374 { cb val 70 B8.69}29.472 35.181 23.498 { cg1 val 70 B9.76}29.821 35.957 24.765 { cb val 70 B8.69}P 29.472 35.181 23.498 { cg2 val 70 B8.54}28.049 35.454 23.071 { ca leu 71 B16.06}P 34.145 35.472 23.481 { cb leu 71 }35.144 36.509 22.963 { cg leu 71 }35.422 36.490 21.458 { cd1 leu 71 }36.793 37.078 21.160 { cg leu 71 }P 35.422 36.490 21.458 { cd2 leu 71 }35.386 35.069 20.922 { ca arg 72 B25.83}P 35.161 34.174 26.896 { cb arg 72 B28.49}34.717 32.760 27.286 { cg arg 72 B31.79}35.752 32.054 28.160 { cd arg 72 B34.05}35.612 30.577 28.044 { ne arg 72 B35.08}35.040 30.252 26.730 { cz arg 72 B34.67}34.338 29.103 26.650 { nh1 arg 72 B35.02}34.110 28.437 27.768 { cz arg 72 B34.67}P 34.338 29.103 26.650 { nh2 arg 72 B34.97}34.014 28.657 25.457 { ca leu 73 0.45B30.76}P 38.668 35.502 27.680 { cb leu 73 }39.129 36.955 27.552 { cg leu 73 }38.934 37.609 26.183 { cd1 leu 73 }39.649 38.951 26.121 { cg leu 73 }P 38.934 37.609 26.183 { cd2 leu 73 }39.491 36.723 25.080 { ca arg 74 0.45B35.33}P 40.873 33.802 30.253 { cb arg 74 0.45B36.91}41.651 32.529 29.923 { cg arg 74 0.45B38.62}41.608 31.444 30.989 { cd arg 74 0.45B39.75}41.896 30.080 30.456 { ne arg 74 0.45B41.13}43.311 29.735 30.563 { cz arg 74 0.45B41.91}44.174 29.905 29.554 { nh1 arg 74 0.45B42.75}43.754 30.312 28.356 { cz arg 74 0.45B41.91}P 44.174 29.905 29.554 { nh2 arg 74 0.45B41.93}45.477 29.726 29.763 @vectorlist {sc H} color= gray nobutton master= {H's} master= {sidechain} lens { n met 1 B9.67}P 27.340 24.430 2.614 {2h met 1 B9.67}27.976 24.783 1.928 { cb met 1 B13.77}P 25.112 24.880 3.649 {1hb met 1 B13.77}24.221 25.492 3.442 { cb met 1 B13.77}P 25.112 24.880 3.649 {2hb met 1 B13.77}24.885 23.858 3.312 { cg met 1 B16.29}P 25.353 24.860 5.134 {1hg met 1 B16.29}26.303 24.357 5.367 { cg met 1 B16.29}P 25.353 24.860 5.134 {2hg met 1 B16.29}25.425 25.884 5.530 { ce met 1 B16.11}P 24.447 23.984 7.620 {1he met 1 B16.11}23.928 23.186 8.172 { ce met 1 B16.11}P 24.447 23.984 7.620 {2he met 1 B16.11}25.534 23.823 7.679 { ce met 1 B16.11}P 24.447 23.984 7.620 {3he met 1 B16.11}24.197 24.959 8.065 { cb gln 2 B14.46}P 26.733 30.148 2.905 {1hb gln 2 B14.46}27.491 29.989 2.124 { cb gln 2 B14.46}P 26.733 30.148 2.905 {2hb gln 2 B14.46}25.749 30.068 2.419 { cg gln 2 B17.01}P 26.882 31.546 3.409 {1hg gln 2 B17.01}26.101 31.754 4.156 { cg gln 2 B17.01}P 26.882 31.546 3.409 {2hg gln 2 B17.01}27.851 31.653 3.918 { ne2 gln 2 B19.49}P 25.562 32.733 1.806 {1he2 gln 2 B19.49}25.393 33.391 1.072 { ne2 gln 2 B19.49}P 25.562 32.733 1.806 {2he2 gln 2 B19.49}24.804 32.204 2.188 { cb ile 3 B6.55}P 26.344 29.050 8.645 { hb ile 3 B6.55}25.923 29.480 9.566 { cg1 ile 3 B4.72}P 27.810 28.748 8.999 {1hg1 ile 3 B4.72}28.237 28.079 8.238 { cg1 ile 3 B4.72}P 27.810 28.748 8.999 {2hg1 ile 3 B4.72}28.390 29.682 8.968 { cg2 ile 3 B5.58}P 25.491 27.771 8.287 {1hg2 ile 3 B5.58}25.563 27.040 9.106 { cg2 ile 3 B5.58}P 25.491 27.771 8.287 {2hg2 ile 3 B5.58}24.439 28.059 8.145 { cg2 ile 3 B5.58}P 25.491 27.771 8.287 {3hg2 ile 3 B5.58}25.876 27.321 7.360 { cd1 ile 3 B10.83}P 27.967 28.087 10.417 {1hd1 ile 3 B10.83}29.031 27.894 10.616 { cd1 ile 3 B10.83}P 27.967 28.087 10.417 {2hd1 ile 3 B10.83}27.568 28.766 11.185 { cd1 ile 3 B10.83}P 27.967 28.087 10.417 {3hd1 ile 3 B10.83}27.412 27.138 10.443 { cb phe 4 B4.83}P 25.695 34.498 8.946 {1hb phe 4 B4.83}24.808 34.260 9.551 { cb phe 4 B4.83}P 25.695 34.498 8.946 {2hb phe 4 B4.83}26.066 35.474 9.290 { cd1 phe 4 B6.69}P 24.147 33.966 7.038 { hd1 phe 4 B6.69}23.508 33.407 7.738 { cd2 phe 4 B8.34}P 26.136 35.346 6.640 { hd2 phe 4 B8.34}27.023 35.868 7.030 { ce1 phe 4 B9.10}P 23.812 34.031 5.677 { he1 phe 4 B9.10}22.932 33.502 5.282 { ce2 phe 4 B10.61}P 25.810 35.392 5.267 { he2 phe 4 B10.61}26.470 35.894 4.544 { cz phe 4 B8.90}P 24.620 34.778 4.853 { hz phe 4 B8.90}24.314 34.901 3.804 { cb val 5 B2.99}P 29.963 33.317 12.814 { hb val 5 B2.99}30.763 33.849 12.278 { cg1 val 5 B5.28}P 30.211 33.394 14.304 {1hg1 val 5 B5.28}31.182 32.933 14.539 { cg1 val 5 B5.28}P 30.211 33.394 14.304 {2hg1 val 5 B5.28}30.220 34.447 14.621 { cg1 val 5 B5.28}P 30.211 33.394 14.304 {3hg1 val 5 B5.28}29.412 32.858 14.837 { cg2 val 5 B9.13}P 29.957 31.838 12.352 {1hg2 val 5 B9.13}30.931 31.379 12.577 { cg2 val 5 B9.13}P 29.957 31.838 12.352 {2hg2 val 5 B9.13}29.163 31.291 12.882 { cg2 val 5 B9.13}P 29.957 31.838 12.352 {3hg2 val 5 B9.13}29.772 31.792 11.269 { cb lys 6 B7.45}P 26.219 37.684 14.307 {1hb lys 6 B7.45}25.695 37.404 13.381 { cb lys 6 B7.45}P 26.219 37.684 14.307 {2hb lys 6 B7.45}25.802 37.063 15.113 { cg lys 6 B11.12}P 25.884 39.139 14.615 {1hg lys 6 B11.12}26.315 39.433 15.583 { cg lys 6 B11.12}P 25.884 39.139 14.615 {2hg lys 6 B11.12}26.322 39.801 13.854 { cd lys 6 B14.54}P 24.348 39.296 14.642 {1hd lys 6 B14.54}23.931 38.849 13.728 { cd lys 6 B14.54}P 24.348 39.296 14.642 {2hd lys 6 B14.54}23.949 38.723 15.492 { ce lys 6 B18.84}P 23.865 40.723 14.749 {1he lys 6 B18.84}24.338 41.221 15.608 { ce lys 6 B18.84}P 23.865 40.723 14.749 {2he lys 6 B18.84}24.151 41.290 13.851 { nz lys 6 B20.55}P 22.375 40.720 14.907 {1hz lys 6 B20.55}22.045 41.661 14.979 { nz lys 6 B20.55}P 22.375 40.720 14.907 {2hz lys 6 B20.55}21.956 40.280 14.113 { nz lys 6 B20.55}P 22.375 40.720 14.907 {3hz lys 6 B20.55}22.128 40.217 15.735 { cb thr 7 B9.61}P 31.744 38.879 16.299 { hb thr 7 B9.61}32.398 38.667 17.158 { og1 thr 7 B11.78}P 31.737 40.257 15.824 { hg1 thr 7 B11.78}31.274 40.303 14.939 { cg2 thr 7 B9.17}P 32.260 37.969 15.171 {1hg2 thr 7 B9.17}33.320 38.191 14.976 { cg2 thr 7 B9.17}P 32.260 37.969 15.171 {2hg2 thr 7 B9.17}32.156 36.916 15.472 { cg2 thr 7 B9.17}P 32.260 37.969 15.171 {3hg2 thr 7 B9.17}31.674 38.148 14.257 { cb leu 8 B16.63}P 29.919 40.890 20.938 {1hb leu 8 B16.63}31.000 40.706 21.029 { cb leu 8 B16.63}P 29.919 40.890 20.938 {2hb leu 8 B16.63}29.697 41.797 21.520 { cg leu 8 B18.88}P 29.183 39.722 21.581 { hg leu 8 B18.88}29.655 38.812 21.183 { cd1 leu 8 B19.31}P 29.308 39.750 23.095 {1hd1 leu 8 B19.31}28.766 38.894 23.524 { cd1 leu 8 B19.31}P 29.308 39.750 23.095 {2hd1 leu 8 B19.31}30.370 39.690 23.377 { cd1 leu 8 B19.31}P 29.308 39.750 23.095 {3hd1 leu 8 B19.31}28.879 40.686 23.482 { cd2 leu 8 B18.59}P 27.700 39.721 21.228 {1hd2 leu 8 B18.59}27.208 38.864 21.711 { cd2 leu 8 B18.59}P 27.700 39.721 21.228 {2hd2 leu 8 B18.59}27.238 40.655 21.581 { cd2 leu 8 B18.59}P 27.700 39.721 21.228 {3hd2 leu 8 B18.59}27.582 39.643 20.137 { cb thr 9 B18.97}P 32.979 43.918 17.445 { hb thr 9 B18.97}33.419 44.923 17.371 { og1 thr 9 B20.24}P 33.174 43.067 16.265 { hg1 thr 9 B20.24}34.152 42.971 16.081 { cg2 thr 9 B19.70}P 33.657 43.319 18.672 {1hg2 thr 9 B19.70}34.748 43.333 18.532 { cg2 thr 9 B19.70}P 33.657 43.319 18.672 {2hg2 thr 9 B19.70}33.394 43.910 19.562 { cg2 thr 9 B19.70}P 33.657 43.319 18.672 {3hg2 thr 9 B19.70}33.319 42.281 18.808 { ca gly 10 B18.74}P 28.978 43.960 14.678 {2ha gly 10 B18.74}28.818 45.047 14.621 { cb lys 11 B13.43}P 32.672 41.717 12.505 {1hb lys 11 B13.43}33.207 42.647 12.746 { cb lys 11 B13.43}P 32.672 41.717 12.505 {2hb lys 11 B13.43}32.814 41.034 13.356 { cg lys 11 B16.69}P 33.280 41.086 11.227 {1hg lys 11 B16.69}32.750 40.156 10.973 { cg lys 11 B16.69}P 33.280 41.086 11.227 {2hg lys 11 B16.69}33.160 41.768 10.373 { cd lys 11 B17.92}P 34.762 40.799 11.470 {1hd lys 11 B17.92}35.149 41.528 12.197 { cd lys 11 B17.92}P 34.762 40.799 11.470 {2hd lys 11 B17.92}34.859 39.804 11.929 { ce lys 11 B20.81}P 35.614 40.847 10.240 {1he lys 11 B20.81}35.727 41.897 9.930 { ce lys 11 B20.81}P 35.614 40.847 10.240 {2he lys 11 B20.81}36.618 40.477 10.493 { nz lys 11 B21.93}P 35.100 40.073 9.101 {1hz lys 11 B21.93}35.759 40.107 8.350 { nz lys 11 B21.93}P 35.100 40.073 9.101 {2hz lys 11 B21.93}34.961 39.122 9.379 { nz lys 11 B21.93}P 35.100 40.073 9.101 {3hz lys 11 B21.93}34.230 40.462 8.799 { cb thr 12 B10.85}P 28.113 39.049 10.015 { hb thr 12 B10.85}28.115 39.567 9.045 { og1 thr 12 B10.91}P 27.280 39.722 10.996 { hg1 thr 12 B10.91}26.327 39.449 10.868 { cg2 thr 12 B9.63}P 27.588 37.635 9.715 {1hg2 thr 12 B9.63}26.585 37.703 9.269 { cg2 thr 12 B9.63}P 27.588 37.635 9.715 {2hg2 thr 12 B9.63}28.268 37.132 9.012 { cg2 thr 12 B9.63}P 27.588 37.635 9.715 {3hg2 thr 12 B9.63}27.535 37.057 10.649 { cb ile 13 }P 32.706 35.387 9.942 { hb ile 13 }32.118 34.647 10.505 { cg1 ile 13 }P 33.553 36.220 10.905 {1hg1 ile 13 }34.445 36.584 10.374 { cg1 ile 13 }P 33.553 36.220 10.905 {2hg1 ile 13 }32.978 37.106 11.212 { cg2 ile 13 }P 33.638 34.675 8.974 {1hg2 ile 13 }34.334 34.036 9.537 { cg2 ile 13 }P 33.638 34.675 8.974 {2hg2 ile 13 }33.047 34.054 8.285 { cg2 ile 13 }P 33.638 34.675 8.974 {3hg2 ile 13 }34.208 35.419 8.399 { cd1 ile 13 }P 33.991 35.466 12.141 {1hd1 ile 13 }34.593 36.128 12.781 { cd1 ile 13 }P 33.991 35.466 12.141 {2hd1 ile 13 }33.105 35.126 12.697 { cd1 ile 13 }P 33.991 35.466 12.141 {3hd1 ile 13 }34.595 34.595 11.845 { cb thr 14 B10.38}P 30.091 34.393 5.078 { hb thr 14 B10.38}29.371 33.750 4.552 { og1 thr 14 B16.30}P 31.440 34.513 4.487 { hg1 thr 14 B16.30}32.123 34.201 5.148 { cg2 thr 14 B11.66}P 29.420 35.756 5.119 {1hg2 thr 14 B11.66}29.152 36.064 4.098 { cg2 thr 14 B11.66}P 29.420 35.756 5.119 {2hg2 thr 14 B11.66}28.510 35.699 5.735 { cg2 thr 14 B11.66}P 29.420 35.756 5.119 {3hg2 thr 14 B11.66}30.111 36.493 5.554 { cb leu 15 }P 31.598 29.531 7.973 {1hb leu 15 }30.542 29.474 8.275 { cb leu 15 }P 31.598 29.531 7.973 {2hb leu 15 }31.943 28.499 7.814 { cg leu 15 }P 32.397 30.131 9.132 { hg leu 15 }32.040 31.161 9.280 { cd1 leu 15 }P 32.188 29.321 10.403 {1hd1 leu 15 }32.770 29.768 11.223 { cd1 leu 15 }P 32.188 29.321 10.403 {2hd1 leu 15 }31.120 29.323 10.668 { cd1 leu 15 }P 32.188 29.321 10.403 {3hd1 leu 15 }32.523 28.286 10.238 { cd2 leu 15 }P 33.882 30.140 8.813 {1hd2 leu 15 }34.436 30.575 9.658 { cd2 leu 15 }P 33.882 30.140 8.813 {2hd2 leu 15 }34.227 29.110 8.640 { cd2 leu 15 }P 33.882 30.140 8.813 {3hd2 leu 15 }34.060 30.742 7.910 { cb glu 16 B17.22}P 31.827 27.262 2.894 {1hb glu 16 B17.22}32.923 27.287 2.979 { cb glu 16 B17.22}P 31.827 27.262 2.894 {2hb glu 16 B17.22}31.562 26.297 2.438 { cg glu 16 B23.33}P 31.363 28.410 1.962 {1hg glu 16 B23.33}30.273 28.514 2.071 { cg glu 16 B23.33}P 31.363 28.410 1.962 {2hg glu 16 B23.33}31.813 29.345 2.327 { cb val 17 B9.78}P 29.903 24.590 7.665 { hb val 17 B9.78}29.967 23.645 8.224 { cg1 val 17 B12.05}P 30.862 25.496 8.389 {1hg1 val 17 B12.05}30.498 25.674 9.412 { cg1 val 17 B12.05}P 30.862 25.496 8.389 {2hg1 val 17 B12.05}31.854 25.023 8.430 { cg1 val 17 B12.05}P 30.862 25.496 8.389 {3hg1 val 17 B12.05}30.936 26.455 7.855 { cg2 val 17 B10.54}P 28.476 25.135 7.705 {1hg2 val 17 B10.54}28.205 25.378 8.743 { cg2 val 17 B10.54}P 28.476 25.135 7.705 {2hg2 val 17 B10.54}28.412 26.043 7.088 { cg2 val 17 B10.54}P 28.476 25.135 7.705 {3hg2 val 17 B10.54}27.782 24.377 7.313 { cb glu 18 B10.28}P 29.213 19.697 5.506 {1hb glu 18 B10.28}30.068 19.524 6.176 { cb glu 18 B10.28}P 29.213 19.697 5.506 {2hb glu 18 B10.28}28.545 18.829 5.606 { cg glu 18 B12.65}P 29.728 19.755 4.060 {1hg glu 18 B12.65}30.526 20.511 4.018 { cg glu 18 B12.65}P 29.728 19.755 4.060 {2hg glu 18 B12.65}30.192 18.785 3.830 { cb pro 19 B7.61}P 24.469 19.332 7.952 {1hb pro 19 B7.61}24.480 18.252 7.745 { cb pro 19 B7.61}P 24.469 19.332 7.952 {2hb pro 19 B7.61}23.654 19.514 8.668 { cg pro 19 B8.16}P 24.299 20.134 6.704 {1hg pro 19 B8.16}23.547 19.690 6.035 { cg pro 19 B8.16}P 24.299 20.134 6.704 {2hg pro 19 B8.16}23.970 21.161 6.922 { cd pro 19 B7.49}P 25.714 20.108 6.073 {1hd pro 19 B7.49}25.906 19.179 5.515 { cd pro 19 B7.49}P 25.714 20.108 6.073 {2hd pro 19 B7.49}25.875 20.942 5.374 { cb ser 20 B8.57}P 28.523 15.820 8.182 {1hb ser 20 B8.57}27.707 15.114 7.966 { cb ser 20 B8.57}P 28.523 15.820 8.182 {2hb ser 20 B8.57}29.354 15.233 8.600 { og ser 20 B11.13}P 28.946 16.445 6.967 { hg ser 20 B11.13}28.566 15.949 6.186 { cb asp 21 B11.00}P 31.155 20.515 10.048 {1hb asp 21 B11.00}30.234 21.098 9.899 { cb asp 21 B11.00}P 31.155 20.515 10.048 {2hb asp 21 B11.00}31.753 21.045 10.804 { cb thr 22 B8.92}P 32.492 18.193 14.995 { hb thr 22 B8.92}32.403 18.239 16.090 { og1 thr 22 B10.22}P 33.778 18.739 14.516 { hg1 thr 22 B10.22}34.532 18.230 14.931 { cg2 thr 22 B9.65}P 32.352 16.700 14.630 {1hg2 thr 22 B9.65}33.134 16.121 15.144 { cg2 thr 22 B9.65}P 32.352 16.700 14.630 {2hg2 thr 22 B9.65}31.362 16.337 14.943 { cg2 thr 22 B9.65}P 32.352 16.700 14.630 {3hg2 thr 22 B9.65}32.460 16.576 13.542 { cb ile 23 B10.78}P 30.520 22.300 17.764 { hb ile 23 B10.78}30.816 21.559 18.521 { cg1 ile 23 B11.38}P 29.006 22.043 17.442 {1hg1 ile 23 B11.38}28.888 20.996 17.125 { cg1 ile 23 B11.38}P 29.006 22.043 17.442 {2hg1 ile 23 B11.38}28.425 22.167 18.368 { cg2 ile 23 B10.90}P 30.832 23.699 18.358 {1hg2 ile 23 B10.90}30.307 23.816 19.318 { cg2 ile 23 B10.90}P 30.832 23.699 18.358 {2hg2 ile 23 B10.90}31.916 23.796 18.519 { cg2 ile 23 B10.90}P 30.832 23.699 18.358 {3hg2 ile 23 B10.90}30.495 24.478 17.659 { cd1 ile 23 B12.30}P 28.407 22.948 16.366 {1hd1 ile 23 B12.30}27.349 22.689 16.216 { cd1 ile 23 B12.30}P 28.407 22.948 16.366 {2hd1 ile 23 B12.30}28.485 23.998 16.684 { cd1 ile 23 B12.30}P 28.407 22.948 16.366 {3hd1 ile 23 B12.30}28.955 22.809 15.423 { cb glu 24 B19.24}P 35.667 20.383 17.447 {1hb glu 24 B19.24}35.068 19.964 18.268 { cb glu 24 B19.24}P 35.667 20.383 17.447 {2hb glu 24 B19.24}35.542 19.713 16.583 { cg glu 24 B27.76}P 37.128 20.293 17.872 {1hg glu 24 B27.76}37.764 20.760 17.105 { cg glu 24 B27.76}P 37.128 20.293 17.872 {2hg glu 24 B27.76}37.276 20.861 18.802 { cb asn 25 B16.78}P 35.064 20.957 12.255 {1hb asn 25 B16.78}35.431 19.942 12.468 { cb asn 25 B16.78}P 35.064 20.957 12.255 {2hb asn 25 B16.78}33.965 20.915 12.287 { nd2 asn 25 B24.70}P 36.772 21.623 10.676 {1hd2 asn 25 B24.70}37.092 21.930 9.780 { nd2 asn 25 B24.70}P 36.772 21.623 10.676 {2hd2 asn 25 B24.70}37.427 21.478 11.418 { cb val 26 B3.86}P 32.060 25.257 13.364 { hb val 26 B3.86}31.915 24.878 14.386 { cg1 val 26 B7.25}P 31.684 26.749 13.342 {1hg1 val 26 B7.25}30.626 26.865 13.619 { cg1 val 26 B7.25}P 31.684 26.749 13.342 {2hg1 val 26 B7.25}32.313 27.297 14.059 { cg1 val 26 B7.25}P 31.684 26.749 13.342 {3hg1 val 26 B7.25}31.844 27.153 12.332 { cg2 val 26 B8.12}P 31.152 24.421 12.477 {1hg2 val 26 B8.12}30.106 24.563 12.785 { cg2 val 26 B8.12}P 31.152 24.421 12.477 {2hg2 val 26 B8.12}31.271 24.735 11.430 { cg2 val 26 B8.12}P 31.152 24.421 12.477 {3hg2 val 26 B8.12}31.421 23.359 12.573 { cb lys 27 B3.97}P 35.715 26.203 17.172 {1hb lys 27 B3.97}35.968 25.132 17.177 { cb lys 27 B3.97}P 35.715 26.203 17.172 {2hb lys 27 B3.97}36.525 26.727 17.700 { cg lys 27 B7.45}P 34.343 26.445 17.898 {1hg lys 27 B7.45}34.037 27.497 17.800 { cg lys 27 B7.45}P 34.343 26.445 17.898 {2hg lys 27 B7.45}33.552 25.836 17.436 { cd lys 27 B9.02}P 34.509 26.077 19.360 {1hd lys 27 B9.02}34.808 25.022 19.447 { cd lys 27 B9.02}P 34.509 26.077 19.360 {2hd lys 27 B9.02}35.315 26.678 19.807 { ce lys 27 B12.90}P 33.206 26.311 20.122 {1he lys 27 B12.90}32.904 27.367 20.062 { ce lys 27 B12.90}P 33.206 26.311 20.122 {2he lys 27 B12.90}32.388 25.717 19.687 { nz lys 27 B15.47}P 33.455 25.910 21.546 {1hz lys 27 B15.47}32.622 26.048 22.082 { nz lys 27 B15.47}P 33.455 25.910 21.546 {2hz lys 27 B15.47}33.717 24.945 21.580 { nz lys 27 B15.47}P 33.455 25.910 21.546 {3hz lys 27 B15.47}34.192 26.469 21.926 { cb ala 28 B7.68}P 39.285 24.336 13.566 {1hb ala 28 B7.68}40.255 24.387 13.050 { cb ala 28 B7.68}P 39.285 24.336 13.566 {2hb ala 28 B7.68}39.398 23.772 14.503 { cb ala 28 B7.68}P 39.285 24.336 13.566 {3hb ala 28 B7.68}38.553 23.829 12.920 { cb lys 29 B10.28}P 36.193 27.058 9.911 {1hb lys 29 B10.28}35.328 27.235 10.568 { cb lys 29 B10.28}P 36.193 27.058 9.911 {2hb lys 29 B10.28}36.092 27.742 9.055 { cg lys 29 B14.94}P 36.153 25.620 9.409 {1hg lys 29 B14.94}36.889 25.484 8.603 { cg lys 29 B14.94}P 36.153 25.620 9.409 {2hg lys 29 B14.94}36.434 24.932 10.220 { cd lys 29 B19.69}P 34.758 25.280 8.900 {1hd lys 29 B19.69}34.154 24.882 9.729 { cd lys 29 B19.69}P 34.758 25.280 8.900 {2hd lys 29 B19.69}34.262 26.198 8.552 { ce lys 29 B22.63}P 34.793 24.264 7.767 {1he lys 29 B22.63}35.641 23.578 7.910 { ce lys 29 B22.63}P 34.793 24.264 7.767 {2he lys 29 B22.63}33.878 23.654 7.788 { nz lys 29 B24.98}P 34.914 24.944 6.441 {1hz lys 29 B24.98}35.017 24.257 5.722 { nz lys 29 B24.98}P 34.914 24.944 6.441 {2hz lys 29 B24.98}34.092 25.487 6.268 { nz lys 29 B24.98}P 34.914 24.944 6.441 {3hz lys 29 B24.98}35.714 25.544 6.445 { cb ile 30 B5.36}P 35.708 30.776 13.806 { hb ile 30 B5.36}35.930 29.979 14.531 { cg1 ile 30 B2.94}P 34.228 30.630 13.319 {1hg1 ile 30 B2.94}33.942 31.502 12.713 { cg1 ile 30 B2.94}P 34.228 30.630 13.319 {2hg1 ile 30 B2.94}34.128 29.744 12.675 { cg2 ile 30 B2.78}P 35.874 32.138 14.512 {1hg2 ile 30 B2.78}35.130 32.227 15.317 { cg2 ile 30 B2.78}P 35.874 32.138 14.512 {2hg2 ile 30 B2.78}36.886 32.210 14.938 { cg2 ile 30 B2.78}P 35.874 32.138 14.512 {3hg2 ile 30 B2.78}35.725 32.949 13.784 { cd1 ile 30 B2.00}P 33.284 30.504 14.552 {1hd1 ile 30 B2.00}32.244 30.401 14.209 { cd1 ile 30 B2.00}P 33.284 30.504 14.552 {2hd1 ile 30 B2.00}33.565 29.618 15.140 { cd1 ile 30 B2.00}P 33.284 30.504 14.552 {3hd1 ile 30 B2.00}33.376 31.404 15.178 { cb gln 31 B9.12}P 40.996 29.399 14.865 {1hb gln 31 B9.12}40.462 29.162 15.797 { cb gln 31 B9.12}P 40.996 29.399 14.865 {2hb gln 31 B9.12}41.010 28.481 14.260 { cg gln 31 B10.76}P 42.445 29.848 15.182 {1hg gln 31 B10.76}43.024 29.945 14.252 { cg gln 31 B10.76}P 42.445 29.848 15.182 {2hg gln 31 B10.76}42.439 30.838 15.662 { ne2 gln 31 B14.76}P 43.898 29.252 17.050 {1he2 gln 31 B14.76}44.302 28.598 17.690 { ne2 gln 31 B14.76}P 43.898 29.252 17.050 {2he2 gln 31 B14.76}44.106 30.227 17.133 { cb asp 32 B18.01}P 41.398 28.780 9.810 {1hb asp 32 B18.01}41.209 27.909 10.454 { cb asp 32 B18.01}P 41.398 28.780 9.810 {2hb asp 32 B18.01}40.495 28.933 9.201 { cb lys 33 }P 38.432 32.849 8.581 {1hb lys 33 }38.428 31.943 7.957 { cb lys 33 }P 38.432 32.849 8.581 {2hb lys 33 }37.679 32.701 9.369 { cg lys 33 }P 38.022 34.037 7.726 {1hg lys 33 }37.885 34.922 8.365 { cg lys 33 }P 38.022 34.037 7.726 {2hg lys 33 }38.827 34.275 7.015 { cd lys 33 }P 36.737 33.752 6.966 {1hd lys 33 }36.901 32.923 6.262 { cd lys 33 }P 36.737 33.752 6.966 {2hd lys 33 }35.956 33.428 7.670 { ce lys 33 }P 36.261 34.980 6.206 {1he lys 33 }36.143 35.821 6.906 { ce lys 33 }P 36.261 34.980 6.206 {2he lys 33 }37.026 35.276 5.473 { nz lys 33 }P 34.972 34.735 5.505 {1hz lys 33 }34.429 35.575 5.502 { nz lys 33 }P 34.972 34.735 5.505 {2hz lys 33 }35.153 34.452 4.563 { nz lys 33 }P 34.972 34.735 5.505 {3hz lys 33 }34.467 34.013 5.978 { cb glu 34 B14.77}P 38.290 35.814 12.698 {1hb glu 34 B14.77}38.040 34.981 13.371 { cb glu 34 B14.77}P 38.290 35.814 12.698 {2hb glu 34 B14.77}38.351 36.721 13.317 { cg glu 34 B18.75}P 37.156 35.985 11.688 {1hg glu 34 B18.75}37.232 35.207 10.914 { cg glu 34 B18.75}P 37.156 35.985 11.688 {2hg glu 34 B18.75}36.189 35.843 12.193 { ca gly 35 B6.29}P 42.345 34.269 14.431 {2ha gly 35 B6.29}42.968 35.174 14.381 { cb ile 36 B7.47}P 38.693 34.106 17.595 { hb ile 36 B7.47}38.119 33.416 16.960 { cg1 ile 36 B8.52}P 38.471 35.546 17.045 {1hg1 ile 36 B8.52}38.778 36.288 17.797 { cg1 ile 36 B8.52}P 38.471 35.546 17.045 {2hg1 ile 36 B8.52}39.098 35.710 16.156 { cg2 ile 36 B7.36}P 38.146 33.932 19.027 {1hg2 ile 36 B7.36}37.082 34.211 19.050 { cg2 ile 36 B7.36}P 38.146 33.932 19.027 {2hg2 ile 36 B7.36}38.256 32.882 19.337 { cg2 ile 36 B7.36}P 38.146 33.932 19.027 {3hg2 ile 36 B7.36}38.709 34.579 19.716 { cd1 ile 36 B9.49}P 36.958 35.746 16.680 {1hd1 ile 36 B9.49}36.805 36.764 16.292 { cd1 ile 36 B9.49}P 36.958 35.746 16.680 {2hd1 ile 36 B9.49}36.666 35.014 15.913 { cd1 ile 36 B9.49}P 36.958 35.746 16.680 {3hd1 ile 36 B9.49}36.341 35.600 17.579 { cb pro 37 B11.42}P 42.195 31.142 20.913 {1hb pro 37 B11.42}41.487 31.293 21.741 { cb pro 37 B11.42}P 42.195 31.142 20.913 {2hb pro 37 B11.42}42.901 30.361 21.231 { cg pro 37 B9.27}P 42.904 32.414 20.553 {1hg pro 37 B9.27}43.258 32.953 21.444 { cg pro 37 B9.27}P 42.904 32.414 20.553 {2hg pro 37 B9.27}43.783 32.229 19.919 { cd pro 37 B8.33}P 41.822 33.188 19.813 {1hd pro 37 B8.33}41.113 33.676 20.498 { cd pro 37 B8.33}P 41.822 33.188 19.813 {2hd pro 37 B8.33}42.238 33.975 19.166 { cb pro 38 B10.31}P 39.090 26.629 19.325 {1hb pro 38 B10.31}39.514 25.957 20.086 { cb pro 38 B10.31}P 39.090 26.629 19.325 {2hb pro 38 B10.31}38.171 26.153 18.952 { cg pro 38 B10.81}P 40.082 26.904 18.198 {1hg pro 38 B10.81}40.604 25.992 17.872 { cg pro 38 B10.81}P 40.082 26.904 18.198 {2hg pro 38 B10.81}39.594 27.331 17.309 { cd pro 38 B12.00}P 41.035 27.909 18.879 {1hd pro 38 B12.00}41.748 27.416 19.557 { cd pro 38 B12.00}P 41.035 27.909 18.879 {2hd pro 38 B12.00}41.627 28.483 18.151 { cb asp 39 B24.16}P 40.340 27.692 24.468 {1hb asp 39 B24.16}40.277 26.644 24.796 { cb asp 39 B24.16}P 40.340 27.692 24.468 {2hb asp 39 B24.16}41.208 27.767 23.796 { cb gln 40 B11.14}P 38.528 32.854 23.182 {1hb gln 40 B11.14}38.622 32.802 22.087 { cb gln 40 B11.14}P 38.528 32.854 23.182 {2hb gln 40 B11.14}37.995 33.787 23.415 { cg gln 40 B14.85}P 39.919 32.854 23.840 {1hg gln 40 B14.85}39.806 32.878 24.934 { cg gln 40 B14.85}P 39.919 32.854 23.840 {2hg gln 40 B14.85}40.441 31.919 23.591 { ne2 gln 40 B18.16}P 41.975 34.008 23.624 {1he2 gln 40 B18.16}42.557 34.766 23.330 { ne2 gln 40 B18.16}P 41.975 34.008 23.624 {2he2 gln 40 B18.16}42.375 33.227 24.104 { cb gln 41 B4.20}P 34.876 30.237 20.066 {1hb gln 41 B4.20}35.060 29.158 20.177 { cb gln 41 B4.20}P 34.876 30.237 20.066 {2hb gln 41 B4.20}33.924 30.347 19.526 { cg gln 41 B3.20}P 36.012 30.860 19.221 {1hg gln 41 B3.20}35.837 31.939 19.096 { cg gln 41 B3.20}P 36.012 30.860 19.221 {2hg gln 41 B3.20}36.973 30.748 19.745 { ne2 gln 41 B7.13}P 37.228 30.126 17.233 {1he2 gln 41 B7.13}37.276 29.673 16.343 { ne2 gln 41 B7.13}P 37.228 30.126 17.233 {2he2 gln 41 B7.13}38.051 30.527 17.635 { cb arg 42 B13.23}P 30.847 30.931 24.118 {1hb arg 42 B13.23}31.501 30.477 24.876 { cb arg 42 B13.23}P 30.847 30.931 24.118 {2hb arg 42 B13.23}31.092 32.003 24.082 { cg arg 42 B21.27}P 29.412 30.796 24.598 {1hg arg 42 B21.27}28.742 31.356 23.929 { cg arg 42 B21.27}P 29.412 30.796 24.598 {2hg arg 42 B21.27}29.103 29.741 24.555 { cd arg 42 B26.14}P 29.271 31.314 26.016 {1hd arg 42 B26.14}29.864 30.688 26.698 { cd arg 42 B26.14}P 29.271 31.314 26.016 {2hd arg 42 B26.14}29.678 32.334 26.079 { ne arg 42 B32.26}P 27.875 31.317 26.443 { he arg 42 B32.26}27.447 30.438 26.651 { nh1 arg 42 B35.30}P 27.630 33.656 26.461 {1hh1 arg 42 B35.30}28.603 33.787 26.269 { nh1 arg 42 B35.30}P 27.630 33.656 26.461 {2hh1 arg 42 B35.30}27.030 34.449 26.568 { nh2 arg 42 B36.39}P 25.810 32.299 26.732 {1hh2 arg 42 B36.39}25.392 31.391 26.751 { nh2 arg 42 B36.39}P 25.810 32.299 26.732 {2hh2 arg 42 B36.39}25.240 33.114 26.831 { cb leu 43 B3.74}P 29.151 28.655 18.755 {1hb leu 43 B3.74}29.217 27.634 19.159 { cb leu 43 B3.74}P 29.151 28.655 18.755 {2hb leu 43 B3.74}28.319 28.663 18.035 { cg leu 43 B6.32}P 30.416 28.912 17.980 { hg leu 43 B6.32}31.270 29.079 18.652 { cd1 leu 43 B9.55}P 30.738 27.693 17.122 {1hd1 leu 43 B9.55}31.662 27.877 16.554 { cd1 leu 43 B9.55}P 30.738 27.693 17.122 {2hd1 leu 43 B9.55}30.875 26.814 17.769 { cd1 leu 43 B9.55}P 30.738 27.693 17.122 {3hd1 leu 43 B9.55}29.909 27.507 16.423 { cd2 leu 43 B6.41}P 30.205 30.168 17.129 {1hd2 leu 43 B6.41}31.117 30.378 16.552 { cd2 leu 43 B6.41}P 30.205 30.168 17.129 {2hd2 leu 43 B6.41}29.364 30.007 16.439 { cd2 leu 43 B6.41}P 30.205 30.168 17.129 {3hd2 leu 43 B6.41}29.982 31.023 17.785 { cb ile 44 B6.80}P 24.639 31.426 21.286 { hb ile 44 B6.80}24.678 32.309 20.631 { cg1 ile 44 B10.31}P 25.646 31.670 22.421 {1hg1 ile 44 B10.31}26.630 31.911 21.992 { cg1 ile 44 B10.31}P 25.646 31.670 22.421 {2hg1 ile 44 B10.31}25.329 32.543 23.010 { cg2 ile 44 B7.39}P 23.181 31.309 21.824 {1hg2 ile 44 B7.39}22.942 32.194 22.432 { cg2 ile 44 B7.39}P 23.181 31.309 21.824 {2hg2 ile 44 B7.39}22.481 31.246 20.978 { cg2 ile 44 B7.39}P 23.181 31.309 21.824 {3hg2 ile 44 B7.39}23.090 30.404 22.443 { cd1 ile 44 B13.90}P 25.778 30.436 23.356 {1hd1 ile 44 B13.90}26.506 30.654 24.151 { cd1 ile 44 B13.90}P 25.778 30.436 23.356 {2hd1 ile 44 B13.90}24.800 30.211 23.807 { cd1 ile 44 B13.90}P 25.778 30.436 23.356 {3hd1 ile 44 B13.90}26.121 29.569 22.773 { cb phe 45 B5.51}P 22.494 28.057 17.109 {1hb phe 45 B5.51}23.436 28.374 16.637 { cb phe 45 B5.51}P 22.494 28.057 17.109 {2hb phe 45 B5.51}22.685 27.085 17.587 { cd1 phe 45 B6.86}P 21.325 28.813 15.005 { hd1 phe 45 B6.86}21.986 29.692 14.991 { cd2 phe 45 B5.87}P 20.638 26.735 16.053 { hd2 phe 45 B5.87}20.753 25.995 16.859 { ce1 phe 45 B6.68}P 20.369 28.648 14.001 { he1 phe 45 B6.68}20.224 29.411 13.222 { ce2 phe 45 B6.64}P 19.677 26.539 15.051 { he2 phe 45 B6.64}19.004 25.670 15.081 { cz phe 45 B6.84}P 19.593 27.465 14.021 { hz phe 45 B6.84}18.898 27.272 13.190 { cb ala 46 B8.99}P 17.864 27.977 18.346 {1hb ala 46 B8.99}16.843 27.784 18.708 { cb ala 46 B8.99}P 17.864 27.977 18.346 {2hb ala 46 B8.99}17.835 28.201 17.269 { cb ala 46 B8.99}P 17.864 27.977 18.346 {3hb ala 46 B8.99}18.488 27.087 18.518 { ca gly 47 B11.68}P 19.399 29.894 22.655 {2ha gly 47 B11.68}18.426 30.043 23.147 { cb lys 48 B9.74}P 21.242 25.519 22.391 {1hb lys 48 B9.74}21.527 25.646 21.336 { cb lys 48 B9.74}P 21.242 25.519 22.391 {2hb lys 48 B9.74}21.869 24.713 22.799 { cg lys 48 B14.14}P 19.762 25.077 22.455 {1hg lys 48 B14.14}19.477 24.809 23.483 { cg lys 48 B14.14}P 19.762 25.077 22.455 {2hg lys 48 B14.14}19.095 25.892 22.138 { cd lys 48 B16.32}P 19.634 23.885 21.531 {1hd lys 48 B16.32}20.634 23.558 21.209 { cd lys 48 B16.32}P 19.634 23.885 21.531 {2hd lys 48 B16.32}19.179 23.044 22.074 { ce lys 48 B20.04}P 18.791 24.221 20.313 {1he lys 48 B20.04}19.260 25.022 19.722 { ce lys 48 B20.04}P 18.791 24.221 20.313 {2he lys 48 B20.04}18.695 23.347 19.651 { nz lys 48 B23.92}P 17.440 24.655 20.827 {1hz lys 48 B23.92}16.739 24.438 20.148 { nz lys 48 B23.92}P 17.440 24.655 20.827 {2hz lys 48 B23.92}17.237 24.175 21.680 { nz lys 48 B23.92}P 17.440 24.655 20.827 {3hz lys 48 B23.92}17.447 25.641 20.994 { cb gln 49 B11.67}P 26.070 27.025 24.960 {1hb gln 49 B11.67}25.605 27.824 25.556 { cb gln 49 B11.67}P 26.070 27.025 24.960 {2hb gln 49 B11.67}25.988 26.098 25.546 { cg gln 49 B15.82}P 27.553 27.356 24.695 {1hg gln 49 B15.82}28.031 26.535 24.141 { cg gln 49 B15.82}P 27.553 27.356 24.695 {2hg gln 49 B15.82}27.634 28.256 24.068 { ne2 gln 49 B20.67}P 29.189 26.840 26.335 {1he2 gln 49 B20.67}29.658 26.972 27.208 { ne2 gln 49 B20.67}P 29.189 26.840 26.335 {2he2 gln 49 B20.67}29.477 26.107 25.719 { cb leu 50 B7.13}P 27.043 24.992 19.571 {1hb leu 50 B7.13}27.979 25.569 19.534 { cb leu 50 B7.13}P 27.043 24.992 19.571 {2hb leu 50 B7.13}27.187 24.105 18.936 { cg leu 50 B7.53}P 25.931 25.844 18.959 { hg leu 50 B7.53}25.923 26.792 19.517 { cd1 leu 50 B8.14}P 26.203 26.083 17.471 {1hd1 leu 50 B8.14}25.396 26.697 17.044 { cd1 leu 50 B8.14}P 26.203 26.083 17.471 {2hd1 leu 50 B8.14}27.163 26.607 17.353 { cd1 leu 50 B8.14}P 26.203 26.083 17.471 {3hd1 leu 50 B8.14}26.246 25.117 16.946 { cd2 leu 50 B9.11}P 24.577 25.190 19.079 {1hd2 leu 50 B9.11}23.814 25.840 18.626 { cd2 leu 50 B9.11}P 24.577 25.190 19.079 {2hd2 leu 50 B9.11}24.590 24.221 18.558 { cd2 leu 50 B9.11}P 24.577 25.190 19.079 {3hd2 leu 50 B9.11}24.339 25.031 20.141 { cb glu 51 B16.56}P 28.348 20.540 23.066 {1hb glu 51 B16.56}27.753 20.999 23.869 { cb glu 51 B16.56}P 28.348 20.540 23.066 {2hb glu 51 B16.56}27.642 20.035 22.390 { cg glu 51 B26.06}P 29.247 19.456 23.705 {1hg glu 51 B26.06}29.292 18.577 23.046 { cg glu 51 B26.06}P 29.247 19.456 23.705 {2hg glu 51 B26.06}30.274 19.837 23.803 { cb asp 52 B21.05}P 33.638 20.716 21.242 {1hb asp 52 B21.05}33.534 20.283 22.248 { cb asp 52 B21.05}P 33.638 20.716 21.242 {2hb asp 52 B21.05}34.362 20.092 20.697 { ca gly 53 B11.77}P 31.568 16.962 19.825 {2ha gly 53 B11.77}31.632 16.226 20.640 { cb arg 54 B7.97}P 26.926 18.191 18.892 {1hb arg 54 B7.97}27.130 19.271 18.849 { cb arg 54 B7.97}P 26.926 18.191 18.892 {2hb arg 54 B7.97}26.030 18.008 18.280 { cg arg 54 B9.62}P 26.621 17.799 20.352 {1hg arg 54 B9.62}27.535 17.808 20.964 { cg arg 54 B9.62}P 26.621 17.799 20.352 {2hg arg 54 B9.62}25.918 18.508 20.814 { cd arg 54 B12.20}P 26.010 16.370 20.280 {1hd arg 54 B12.20}25.032 16.329 20.781 { cd arg 54 B12.20}P 26.010 16.370 20.280 {2hd arg 54 B12.20}25.851 16.056 19.238 { ne arg 54 B18.23}P 26.975 15.521 20.942 { he arg 54 B18.23}27.219 15.867 21.848 { nh1 arg 54 B23.38}P 27.479 13.733 19.537 {1hh1 arg 54 B23.38}26.857 14.049 18.821 { nh1 arg 54 B23.38}P 27.479 13.733 19.537 {2hh1 arg 54 B23.38}28.007 12.894 19.406 { nh2 arg 54 B25.50}P 28.519 13.967 21.550 {1hh2 arg 54 B25.50}28.688 14.475 22.395 { nh2 arg 54 B25.50}P 28.519 13.967 21.550 {2hh2 arg 54 B25.50}29.023 13.124 21.364 { cb thr 55 B11.15}P 27.299 17.055 13.533 { hb thr 55 B11.15}27.436 17.442 12.513 { og1 thr 55 B11.95}P 25.925 16.611 13.913 { hg1 thr 55 B11.95}25.338 16.613 13.104 { cg2 thr 55 B11.71}P 28.236 15.864 13.558 {1hg2 thr 55 B11.71}27.932 15.141 12.787 { cg2 thr 55 B11.71}P 28.236 15.864 13.558 {2hg2 thr 55 B11.71}29.264 16.201 13.359 { cg2 thr 55 B11.71}P 28.236 15.864 13.558 {3hg2 thr 55 B11.71}28.193 15.384 14.547 { cb leu 56 B6.60}P 26.084 21.888 11.833 {1hb leu 56 B6.60}26.132 21.180 10.993 { cb leu 56 B6.60}P 26.084 21.888 11.833 {2hb leu 56 B6.60}25.314 22.633 11.582 { cg leu 56 B7.73}P 27.426 22.616 11.902 { hg leu 56 B7.73}28.186 21.855 12.131 { cd1 leu 56 B9.85}P 27.718 23.341 10.578 {1hd1 leu 56 B9.85}28.687 23.858 10.648 { cd1 leu 56 B9.85}P 27.718 23.341 10.578 {2hd1 leu 56 B9.85}27.752 22.608 9.758 { cd1 leu 56 B9.85}P 27.718 23.341 10.578 {3hd1 leu 56 B9.85}26.924 24.076 10.379 { cd2 leu 56 B8.64}P 27.380 23.721 12.955 {1hd2 leu 56 B8.64}28.352 24.234 12.992 { cd2 leu 56 B8.64}P 27.380 23.721 12.955 {2hd2 leu 56 B8.64}26.594 24.445 12.694 { cd2 leu 56 B8.64}P 27.380 23.721 12.955 {3hd2 leu 56 B8.64}27.161 23.281 13.939 { cb ser 57 B10.32}P 23.059 17.326 11.154 {1hb ser 57 B10.32}23.447 17.601 10.162 { cb ser 57 B10.32}P 23.059 17.326 11.154 {2hb ser 57 B10.32}22.068 16.874 10.998 { og ser 57 B13.59}P 23.914 16.395 11.755 { hg ser 57 B13.59}23.403 15.856 12.425 { cb asp 58 B8.41}P 23.461 17.331 16.741 {1hb asp 58 B8.41}24.210 18.136 16.724 { cb asp 58 B8.41}P 23.461 17.331 16.741 {2hb asp 58 B8.41}22.975 17.364 17.727 { cb tyr 59 B7.94}P 22.085 22.254 16.581 {1hb tyr 59 B7.94}22.735 22.418 15.709 { cb tyr 59 B7.94}P 22.085 22.254 16.581 {2hb tyr 59 B7.94}21.540 23.193 16.758 { cd1 tyr 59 B4.59}P 24.272 21.544 17.644 { hd1 tyr 59 B4.59}24.706 21.426 16.640 { cd2 tyr 59 B6.98}P 22.437 22.157 19.065 { hd2 tyr 59 B6.98}21.407 22.525 19.184 { ce1 tyr 59 B5.39}P 25.052 21.285 18.776 { he1 tyr 59 B5.39}26.089 20.935 18.664 { ce2 tyr 59 B6.52}P 23.204 21.907 20.192 { he2 tyr 59 B6.52}22.783 22.051 21.198 { oh tyr 59 B7.63}P 25.248 21.302 21.191 { hh tyr 59 B7.63}24.665 21.488 21.982 { cb asn 60 B19.23}P 17.586 21.282 13.461 {1hb asn 60 B19.23}17.448 20.381 14.077 { cb asn 60 B19.23}P 17.586 21.282 13.461 {2hb asn 60 B19.23}17.373 22.148 14.105 { nd2 asn 60 B24.09}P 15.440 21.819 12.378 {1hd2 asn 60 B24.09}14.808 21.757 11.605 { nd2 asn 60 B24.09}P 15.440 21.819 12.378 {2hd2 asn 60 B24.09}15.176 22.323 13.200 { cb ile 61 B11.80}P 22.650 24.516 12.172 { hb ile 61 B11.80}23.206 23.592 11.956 { cg1 ile 61 B11.56}P 22.662 24.819 13.699 {1hg1 ile 61 B11.56}22.092 25.737 13.904 { cg1 ile 61 B11.56}P 22.662 24.819 13.699 {2hg1 ile 61 B11.56}22.167 24.004 14.248 { cg2 ile 61 B13.29}P 23.376 25.645 11.409 {1hg2 ile 61 B13.29}24.396 25.760 11.806 { cg2 ile 61 B13.29}P 23.376 25.645 11.409 {2hg2 ile 61 B13.29}23.425 25.393 10.339 { cg2 ile 61 B13.29}P 23.376 25.645 11.409 {3hg2 ile 61 B13.29}22.825 26.588 11.538 { cd1 ile 61 B11.42}P 24.123 24.981 14.195 {1hd1 ile 61 B11.42}24.123 25.195 15.274 { cd1 ile 61 B11.42}P 24.123 24.981 14.195 {2hd1 ile 61 B11.42}24.680 24.052 14.006 { cd1 ile 61 B11.42}P 24.123 24.981 14.195 {3hd1 ile 61 B11.42}24.603 25.812 13.657 { cb gln 62 B19.53}P 18.599 24.736 7.727 {1hb gln 62 B19.53}18.115 25.495 8.359 { cb gln 62 B19.53}P 18.599 24.736 7.727 {2hb gln 62 B19.53}18.472 25.058 6.683 { cg gln 62 B26.38}P 17.819 23.434 7.900 {1hg gln 62 B26.38}18.416 22.583 7.540 { cg gln 62 B26.38}P 17.819 23.434 7.900 {2hg gln 62 B26.38}17.612 23.254 8.965 { ne2 gln 62 B32.71}P 15.446 22.980 7.433 {1he2 gln 62 B32.71}14.630 23.108 6.870 { ne2 gln 62 B32.71}P 15.446 22.980 7.433 {2he2 gln 62 B32.71}15.403 22.408 8.252 { cb lys 63 B13.73}P 21.631 26.642 3.731 {1hb lys 63 B13.73}22.079 27.518 3.240 { cb lys 63 B13.73}P 21.631 26.642 3.731 {2hb lys 63 B13.73}22.257 25.774 3.474 { cg lys 63 B16.98}P 20.210 26.423 3.175 {1hg lys 63 B16.98}19.844 25.420 3.439 { cg lys 63 B16.98}P 20.210 26.423 3.175 {2hg lys 63 B16.98}19.509 27.147 3.615 { cd lys 63 B20.19}P 20.268 26.589 1.656 {1hd lys 63 B20.19}20.197 27.661 1.418 { cd lys 63 B20.19}P 20.268 26.589 1.656 {2hd lys 63 B20.19}21.251 26.245 1.303 { ce lys 63 B23.42}P 19.202 25.857 0.891 {1he lys 63 B23.42}19.462 25.822 -0.177 { ce lys 63 B23.42}P 19.202 25.857 0.891 {2he lys 63 B23.42}19.136 24.816 1.240 { nz lys 63 B25.97}P 17.884 26.544 1.075 {1hz lys 63 B25.97}17.178 26.054 0.564 { nz lys 63 B25.97}P 17.884 26.544 1.075 {2hz lys 63 B25.97}17.646 26.555 2.046 { nz lys 63 B25.97}P 17.884 26.544 1.075 {3hz lys 63 B25.97}17.947 27.483 0.738 { cb glu 64 B18.31}P 21.023 31.223 4.784 {1hb glu 64 B18.31}20.121 30.619 4.606 { cb glu 64 B18.31}P 21.023 31.223 4.784 {2hb glu 64 B18.31}20.685 32.217 5.113 { cg glu 64 B24.16}P 21.861 31.342 3.474 {1hg glu 64 B24.16}22.063 32.402 3.262 { cg glu 64 B24.16}P 21.861 31.342 3.474 {2hg glu 64 B24.16}22.835 30.851 3.615 { cb ser 65 B7.28}P 21.637 28.923 10.353 {1hb ser 65 B7.28}21.707 29.093 11.437 { cb ser 65 B7.28}P 21.637 28.923 10.353 {2hb ser 65 B7.28}22.586 28.466 10.037 { og ser 65 B10.56}P 20.544 28.047 10.059 { hg ser 65 B10.56}20.559 27.809 9.088 { cb thr 66 B2.85}P 22.699 34.267 11.985 { hb thr 66 B2.85}21.766 34.369 12.559 { og1 thr 66 B2.15}P 22.495 34.690 10.589 { hg1 thr 66 B2.15}22.168 35.635 10.571 { cg2 thr 66 B3.40}P 23.727 35.131 12.722 {1hg2 thr 66 B3.40}23.362 36.167 12.780 { cg2 thr 66 B3.40}P 23.727 35.131 12.722 {2hg2 thr 66 B3.40}23.876 34.738 13.738 { cg2 thr 66 B3.40}P 23.727 35.131 12.722 {3hg2 thr 66 B3.40}24.682 35.110 12.177 { cb leu 67 B7.18}P 26.310 30.594 14.967 {1hb leu 67 B7.18}27.243 31.158 14.820 { cb leu 67 B7.18}P 26.310 30.594 14.967 {2hb leu 67 B7.18}26.364 30.138 15.966 { cg leu 67 B9.67}P 26.290 29.480 13.960 { hg leu 67 B9.67}26.483 29.926 12.973 { cd1 leu 67 B8.12}P 27.393 28.442 14.229 {1hd1 leu 67 B8.12}27.342 27.647 13.471 { cd1 leu 67 B8.12}P 27.393 28.442 14.229 {2hd1 leu 67 B8.12}28.377 28.931 14.181 { cd1 leu 67 B8.12}P 27.393 28.442 14.229 {3hd1 leu 67 B8.12}27.250 28.005 15.228 { cd2 leu 67 B11.66}P 24.942 28.807 13.952 {1hd2 leu 67 B11.66}24.942 27.994 13.211 { cd2 leu 67 B11.66}P 24.942 28.807 13.952 {2hd2 leu 67 B11.66}24.732 28.393 14.949 { cd2 leu 67 B11.66}P 24.942 28.807 13.952 {3hd2 leu 67 B11.66}24.166 29.542 13.690 { cb his 68 B5.57}P 25.214 34.565 18.780 {1hb his 68 B5.57}24.960 33.711 19.425 { cb his 68 B5.57}P 25.214 34.565 18.780 {2hb his 68 B5.57}25.687 35.323 19.421 { cd2 his 68 B12.79}P 22.824 34.514 17.782 { hd2 his 68 B12.79}22.561 33.461 17.959 { ce1 his 68 B14.75}P 22.674 36.627 17.200 { he1 his 68 B14.75}22.289 37.582 16.813 { cb leu 69 B6.08}P 30.925 34.304 17.753 {1hb leu 69 B6.08}30.795 33.537 16.975 { cb leu 69 B6.08}P 30.925 34.304 17.753 {2hb leu 69 B6.08}30.822 35.282 17.261 { cg leu 69 B7.37}P 32.345 34.183 18.358 { hg leu 69 B7.37}32.471 34.887 19.194 { cd1 leu 69 B6.87}P 32.555 32.783 18.870 {1hd1 leu 69 B6.87}33.564 32.697 19.300 { cd1 leu 69 B6.87}P 32.555 32.783 18.870 {2hd1 leu 69 B6.87}31.807 32.559 19.644 { cd1 leu 69 B6.87}P 32.555 32.783 18.870 {3hd1 leu 69 B6.87}32.448 32.069 18.040 { cd2 leu 69 B9.96}P 33.361 34.491 17.245 {1hd2 leu 69 B9.96}34.382 34.412 17.648 { cd2 leu 69 B9.96}P 33.361 34.491 17.245 {2hd2 leu 69 B9.96}33.235 33.771 16.423 { cd2 leu 69 B9.96}P 33.361 34.491 17.245 {3hd2 leu 69 B9.96}33.194 35.511 16.867 { cb val 70 B8.69}P 29.472 35.181 23.498 { hb val 70 B8.69}29.539 34.112 23.750 { cg1 val 70 B9.76}P 29.821 35.957 24.765 {1hg1 val 70 B9.76}29.053 35.774 25.531 { cg1 val 70 B9.76}P 29.821 35.957 24.765 {2hg1 val 70 B9.76}30.800 35.624 25.141 { cg1 val 70 B9.76}P 29.821 35.957 24.765 {3hg1 val 70 B9.76}29.862 37.032 24.537 { cg2 val 70 B8.54}P 28.049 35.454 23.071 {1hg2 val 70 B8.54}27.373 35.301 23.926 { cg2 val 70 B8.54}P 28.049 35.454 23.071 {2hg2 val 70 B8.54}27.964 36.493 22.719 { cg2 val 70 B8.54}P 28.049 35.454 23.071 {3hg2 val 70 B8.54}27.772 34.767 22.258 { cb leu 71 }P 35.144 36.509 22.963 {1hb leu 71 }34.775 37.509 23.233 { cb leu 71 }P 35.144 36.509 22.963 {2hb leu 71 }36.097 36.364 23.492 { cg leu 71 }P 35.422 36.490 21.458 { hg leu 71 }34.641 37.092 20.970 { cd1 leu 71 }P 36.793 37.078 21.160 {1hd1 leu 71 }36.974 37.056 20.075 { cd1 leu 71 }P 36.793 37.078 21.160 {2hd1 leu 71 }36.832 38.118 21.516 { cd1 leu 71 }P 36.793 37.078 21.160 {3hd1 leu 71 }37.566 36.486 21.673 { cd2 leu 71 }P 35.386 35.069 20.922 {1hd2 leu 71 }35.588 35.079 19.841 { cd2 leu 71 }P 35.386 35.069 20.922 {2hd2 leu 71 }36.151 34.465 21.432 { cd2 leu 71 }P 35.386 35.069 20.922 {3hd2 leu 71 }34.393 34.633 21.105 { cb arg 72 B28.49}P 34.717 32.760 27.286 {1hb arg 72 B28.49}33.759 32.813 27.824 { cb arg 72 B28.49}P 34.717 32.760 27.286 {2hb arg 72 B28.49}34.542 32.168 26.376 { cg arg 72 B31.79}P 35.752 32.054 28.160 {1hg arg 72 B31.79}36.765 32.357 27.857 { cg arg 72 B31.79}P 35.752 32.054 28.160 {2hg arg 72 B31.79}35.625 32.359 29.209 { cd arg 72 B34.05}P 35.612 30.577 28.044 {1hd arg 72 B34.05}36.592 30.092 28.162 { cd arg 72 B34.05}P 35.612 30.577 28.044 {2hd arg 72 B34.05}34.964 30.193 28.846 { ne arg 72 B35.08}P 35.040 30.252 26.730 { he arg 72 B35.08}35.164 30.850 25.938 { nh1 arg 72 B35.02}P 34.110 28.437 27.768 {1hh1 arg 72 B35.02}34.455 28.788 28.638 { nh1 arg 72 B35.02}P 34.110 28.437 27.768 {2hh1 arg 72 B35.02}33.593 27.582 27.744 { nh2 arg 72 B34.97}P 34.014 28.657 25.457 {1hh2 arg 72 B34.97}34.288 29.167 24.641 { nh2 arg 72 B34.97}P 34.014 28.657 25.457 {2hh2 arg 72 B34.97}33.494 27.808 25.365 { cb leu 73 }P 39.129 36.955 27.552 {1hb leu 73 }38.592 37.555 28.301 { cb leu 73 }P 39.129 36.955 27.552 {2hb leu 73 }40.198 37.002 27.808 { cg leu 73 }P 38.934 37.609 26.183 { hg leu 73 }37.853 37.753 26.039 { cd1 leu 73 }P 39.649 38.951 26.121 {1hd1 leu 73 }39.496 39.403 25.130 { cd1 leu 73 }P 39.649 38.951 26.121 {2hd1 leu 73 }39.243 39.619 26.895 { cd1 leu 73 }P 39.649 38.951 26.121 {3hd1 leu 73 }40.725 38.802 26.293 { cd2 leu 73 }P 39.491 36.723 25.080 {1hd2 leu 73 }39.341 37.211 24.106 { cd2 leu 73 }P 39.491 36.723 25.080 {2hd2 leu 73 }40.566 36.561 25.247 { cd2 leu 73 }P 39.491 36.723 25.080 {3hd2 leu 73 }38.970 35.754 25.089 { cb arg 74 0.45 B36.91}P 41.651 32.529 29.923 {1hb arg 74 0.45 B36.91}41.258 32.112 28.984 { cb arg 74 0.45 B36.91}P 41.651 32.529 29.923 {2hb arg 74 0.45 B36.91}42.702 32.799 29.740 { cg arg 74 0.45 B38.62}P 41.608 31.444 30.989 {1hg arg 74 0.45 B38.62}42.338 31.684 31.776 { cg arg 74 0.45 B38.62}P 41.608 31.444 30.989 {2hg arg 74 0.45 B38.62}40.615 31.443 31.461 { cd arg 74 0.45 B39.75}P 41.896 30.080 30.456 {1hd arg 74 0.45 B39.75}41.297 29.339 31.006 { cd arg 74 0.45 B39.75}P 41.896 30.080 30.456 {2hd arg 74 0.45 B39.75}41.586 30.027 29.402 { ne arg 74 0.45 B41.13}P 43.311 29.735 30.563 { he arg 74 0.45 B41.13}43.649 29.357 31.425 { nh1 arg 74 0.45 B42.75}P 43.754 30.312 28.356 {1hh1 arg 74 0.45 B42.75}42.783 30.495 28.202 { nh1 arg 74 0.45 B42.75}P 43.754 30.312 28.356 {2hh1 arg 74 0.45 B42.75}44.410 30.435 27.611 { nh2 arg 74 0.45 B41.93}P 45.477 29.726 29.763 {1hh2 arg 74 0.45 B41.93}45.807 29.466 30.671 { nh2 arg 74 0.45 B41.93}P 45.477 29.726 29.763 {2hh2 arg 74 0.45 B41.93}46.126 29.852 29.012 { ca gly 75 0.25 B36.07}P 41.845 36.550 32.686 {2ha gly 75 0.25 B36.07}42.897 36.595 32.369 { ca gly 76 0.25 B36.19}P 40.373 39.813 33.944 {2ha gly 76 0.25 B36.19}39.470 39.933 33.327 @subgroup {waters} dominant master= {water} off @balllist {water O} color= red master= {water} off radius= 0.150 { o hoh 1 1.00B12.43}45.747 30.081 19.708 { o hoh 2 1.00B12.65}19.168 31.868 17.050 { o hoh 3 1.00B12.83}32.010 38.387 19.636 { o hoh 4 1.00B22.27}42.084 27.361 21.953 { o hoh 5 1.00B18.33}21.314 20.644 8.719 { o hoh 6 1.00B31.69}31.965 38.637 3.699 { o hoh 7 1.00B20.30}27.707 15.908 4.653 { o hoh 8 1.00B10.14}19.969 32.720 14.769 { o hoh 9 1.00B29.65}29.847 13.577 10.864 { o hoh 10 1.00B23.48}23.893 27.864 1.501 { o hoh 11 1.00B18.40}19.638 23.312 4.775 { o hoh 12 1.00B26.17}34.628 29.369 4.779 { o hoh 13 1.00B31.34}42.240 24.744 25.707 { o hoh 14 1.00B16.49}30.290 42.500 8.820 { o hoh 15 1.00B13.14}24.512 39.162 10.841 { o hoh 16 1.00B19.38}26.557 43.450 19.940 { o hoh 17 1.00B29.35}42.535 22.385 13.872 { o hoh 18 1.00B29.46}42.440 26.381 12.686 { o hoh 19 1.00B22.07}22.651 14.457 13.085 { o hoh 20 1.00B15.20}35.325 26.551 23.202 { o hoh 21 1.00B15.45}23.629 20.940 3.146 { o hoh 22 1.00B13.70}25.928 21.774 2.325 { o hoh 23 1.00B24.89}33.388 21.973 5.659 { o hoh 24 1.00B24.10}18.326 23.911 17.697 { o hoh 25 1.00B20.76}18.160 27.072 10.662 { o hoh 26 1.00B32.86}34.746 17.167 18.219 { o hoh 27 1.00B21.09}19.801 32.364 20.210 { o hoh 28 1.00B8.56}30.285 26.829 22.191 { o hoh 29 1.00B7.69}44.612 32.306 16.961 { o hoh 30 0.78B28.90}16.287 25.999 13.142 { o hoh 31 0.51B23.36}27.101 42.135 15.494 { o hoh 32 0.74B27.88}37.209 23.795 21.367 { o hoh 33 0.49B22.24}19.582 32.034 -0.685 { o hoh 34 0.77B36.99}28.824 25.094 0.886 { o hoh 35 0.87B36.70}25.146 19.162 25.323 { o hoh 36 0.85B29.64}20.747 37.769 14.674 { o hoh 37 0.61B23.89}16.035 17.841 8.765 { o hoh 38 0.48B27.11}35.712 46.814 12.926 { o hoh 39 0.51B24.18}15.570 27.475 7.482 { o hoh 40 0.59B26.03}33.447 21.075 2.918 { o hoh 41 0.63B22.39}41.116 39.021 13.061 { o hoh 42 0.48B24.09}32.346 13.689 18.912 { o hoh 43 0.71B29.54}31.197 13.048 7.920 { o hoh 44 0.64B46.90}42.853 39.375 29.308 { o hoh 45 0.41B18.25}39.646 23.959 9.699 { o hoh 46 0.87B26.13}34.405 45.181 13.420 { o hoh 47 0.41B21.02}26.517 24.300 27.592 { o hoh 48 0.45B16.60}40.740 38.734 9.602 { o hoh 49 0.67B26.53}31.494 18.276 23.170 { o hoh 50 0.87B32.52}37.752 30.947 1.059 { o hoh 51 0.64B15.94}31.771 16.941 7.511 { o hoh 52 0.57B22.53}41.628 24.537 10.145 { o hoh 53 0.56B29.32}28.988 22.175 -1.744 { o hoh 54 0.53B24.82}14.882 16.539 10.692 { o hoh 55 0.36B26.01}32.589 40.385 7.523 { o hoh 56 0.49B35.45}38.363 30.369 5.579 { o hoh 57 0.81B32.15}27.841 46.062 17.589 { o hoh 58 0.50B33.32}37.667 43.421 17.000 @tablewrap 40 @tablecolscale 1.30 @tablefontsize 14 @tablemarkradius 0.00 @tablefanradius 0.40 @tablefancore 0.10 @group { } table header @wordlist {Calphas} color= gray { } <> tablecell {"} <1> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <5> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <10> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <15> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <20> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <25> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <30> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <35> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <40> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <45> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <50> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <55> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <60> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <65> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <70> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <> tablecell {"} <75> tablecell {"} <> tablecell @group {1ubqH 1} table @subgroup {mainchain} @wordlist {Calphas} color= white { ca met 1 } <1ubqH 1> U 26.266 25.413 2.842 {"} sky 26.266 25.413 2.842 { ca gln 2 } 26.850 29.021 3.898 { ca ile 3 } sky 26.235 30.058 7.497 { ca phe 4 } 26.772 33.436 9.197 { ca val 5 } sky 28.605 33.965 12.503 { ca lys 6 } 27.691 37.315 14.143 { ca thr 7 } 30.225 38.643 16.662 { ca leu 8 } 29.607 41.180 19.467 { ca thr 9 } 31.422 43.940 17.553 { ca gly 10 } 28.978 43.960 14.678 { ca lys 11 } 31.191 42.012 12.331 { ca thr 12 } 29.542 39.020 10.653 { ca ile 13 } purple 31.720 36.289 9.176 { ca thr 14 } 30.505 33.884 6.512 { ca leu 15 } purple 31.677 30.275 6.639 { ca glu 16 } 31.220 27.341 4.275 { ca val 17 } sky 30.288 24.245 6.193 { ca glu 18 } 28.468 20.940 5.980 { ca pro 19 }

25.829 19.825 8.494 { ca ser 20 } 28.054 16.835 9.210 { ca asp 21 } 30.796 19.083 10.566 { ca thr 22 } 31.398 19.064 14.286 { ca ile 23 } 31.288 22.201 16.417 { ca glu 24 } 35.031 21.722 17.069 { ca asn 25 } 35.590 21.945 13.302 { ca val 26 } sky 33.533 25.097 12.978 { ca lys 27 } 35.596 26.715 15.736 { ca ala 28 } 38.794 25.761 13.880 { ca lys 29 } 37.471 27.391 10.668 { ca ile 30 } sky 36.731 30.570 12.645 { ca gln 31 } 40.269 30.508 14.115 { ca asp 32 } 41.718 30.022 10.643 { ca lys 33 } 39.808 32.994 9.233 { ca glu 34 } 39.676 35.547 12.072 { ca gly 35 } 42.345 34.269 14.431 { ca ile 36 } 40.226 33.716 17.509 { ca pro 37 }

41.461 30.751 19.594 { ca pro 38 }

38.817 28.020 19.889 { ca asp 39 } 39.063 28.063 23.695 { ca gln 40 } 37.738 31.637 23.712 { ca gln 41 } 34.738 30.875 21.473 { ca arg 42 } 31.200 30.329 22.780 { ca leu 43 } 28.762 29.573 19.906 { ca ile 44 } 25.034 30.170 20.401 { ca phe 45 } 22.126 29.062 18.183 { ca ala 46 } 18.443 29.143 19.083 { ca gly 47 } 19.399 29.894 22.655 { ca lys 48 } 21.550 26.796 23.133 { ca gln 49 } 25.349 26.872 23.643 { ca leu 50 } 26.826 24.521 21.012 { ca glu 51 } 29.015 21.657 22.288 { ca asp 52 } 32.262 20.670 20.514 { ca gly 53 } 31.568 16.962 19.825 { ca arg 54 } 28.108 17.439 18.276 { ca thr 55 } 27.574 18.192 14.563 { ca leu 56 } 25.594 21.109 13.072 { ca ser 57 } 22.924 18.583 12.025 { ca asp 58 } 22.418 17.638 15.693 { ca tyr 59 } 21.079 21.149 16.251 { ca asn 60 } 19.065 21.352 12.999 { ca ile 61 } 21.184 24.263 11.690 { ca gln 62 } 20.081 24.773 8.033 { ca lys 63 } 21.656 26.847 5.240 { ca glu 64 } 21.907 30.563 5.881 { ca ser 65 } 21.419 30.253 9.620 { ca thr 66 } 23.212 32.762 11.891 { ca leu 67 } 25.149 31.609 14.980 { ca his 68 } 26.179 34.127 17.650 { ca leu 69 } 29.801 34.145 18.829 { ca val 70 } 30.479 35.369 22.374 { ca leu 71 } red 34.145 35.472 23.481 { ca arg 72 } 35.161 34.174 26.896 { ca leu 73 } red 38.668 35.502 27.680 { ca arg 74 } 40.873 33.802 30.253 { ca gly 75 } 41.845 36.550 32.686 { ca gly 76 } 40.373 39.813 33.944 @group {1ubqH 1} table @subgroup {mainchain} @wordlist {Calphas} color= white { ca met 1 } <> U 26.266 25.413 2.842 {"} <> sky 26.266 25.413 2.842 { ca gln 2 } <> 26.850 29.021 3.898 { ca ile 3 } <> sky 26.235 30.058 7.497 { ca phe 4 } <> 26.772 33.436 9.197 { ca val 5 } <> sky 28.605 33.965 12.503 { ca lys 6 } <> 27.691 37.315 14.143 { ca thr 7 } <> 30.225 38.643 16.662 { ca leu 8 } <> 29.607 41.180 19.467 { ca thr 9 } <> 31.422 43.940 17.553 { ca gly 10 } <> 28.978 43.960 14.678 { ca lys 11 } <> 31.191 42.012 12.331 { ca thr 12 } <> 29.542 39.020 10.653 { ca ile 13 } <> purple 31.720 36.289 9.176 { ca thr 14 } <> 30.505 33.884 6.512 { ca leu 15 } <> purple 31.677 30.275 6.639 { ca glu 16 } <> 31.220 27.341 4.275 { ca val 17 } <> sky 30.288 24.245 6.193 { ca glu 18 } <> 28.468 20.940 5.980 { ca pro 19 } <> 25.829 19.825 8.494 { ca ser 20 } <> 28.054 16.835 9.210 { ca asp 21 } <> 30.796 19.083 10.566 { ca thr 22 } <> 31.398 19.064 14.286 { ca ile 23 } <> 31.288 22.201 16.417 { ca glu 24 } <> 35.031 21.722 17.069 { ca asn 25 } <> 35.590 21.945 13.302 { ca val 26 } <> sky 33.533 25.097 12.978 { ca lys 27 } <> 35.596 26.715 15.736 { ca ala 28 } <> 38.794 25.761 13.880 { ca lys 29 } <> 37.471 27.391 10.668 { ca ile 30 } <> sky 36.731 30.570 12.645 { ca gln 31 } <> 40.269 30.508 14.115 { ca asp 32 } <> 41.718 30.022 10.643 { ca lys 33 } <> 39.808 32.994 9.233 { ca glu 34 } <> 39.676 35.547 12.072 { ca gly 35 } <> 42.345 34.269 14.431 { ca ile 36 } <> 40.226 33.716 17.509 { ca pro 37 } <> 41.461 30.751 19.594 { ca pro 38 } <> 38.817 28.020 19.889 { ca asp 39 } <> 39.063 28.063 23.695 { ca gln 40 } <> 37.738 31.637 23.712 { ca gln 41 } <> 34.738 30.875 21.473 { ca arg 42 } <> 31.200 30.329 22.780 { ca leu 43 } <> 28.762 29.573 19.906 { ca ile 44 } <> 25.034 30.170 20.401 { ca phe 45 } <> 22.126 29.062 18.183 { ca ala 46 } <> 18.443 29.143 19.083 { ca gly 47 } <> 19.399 29.894 22.655 { ca lys 48 } <> 21.550 26.796 23.133 { ca gln 49 } <> 25.349 26.872 23.643 { ca leu 50 } <> 26.826 24.521 21.012 { ca glu 51 } <> 29.015 21.657 22.288 { ca asp 52 } <> 32.262 20.670 20.514 { ca gly 53 } <> 31.568 16.962 19.825 { ca arg 54 } <> 28.108 17.439 18.276 { ca thr 55 } <> 27.574 18.192 14.563 { ca leu 56 } <> 25.594 21.109 13.072 { ca ser 57 } <> 22.924 18.583 12.025 { ca asp 58 } <> 22.418 17.638 15.693 { ca tyr 59 } <> 21.079 21.149 16.251 { ca asn 60 } <> 19.065 21.352 12.999 { ca ile 61 } <> 21.184 24.263 11.690 { ca gln 62 } <> 20.081 24.773 8.033 { ca lys 63 } <> 21.656 26.847 5.240 { ca glu 64 } <> 21.907 30.563 5.881 { ca ser 65 } <> 21.419 30.253 9.620 { ca thr 66 } <> 23.212 32.762 11.891 { ca leu 67 } <> 25.149 31.609 14.980 { ca his 68 } <> 26.179 34.127 17.650 { ca leu 69 } <> 29.801 34.145 18.829 { ca val 70 } <> 30.479 35.369 22.374 { ca leu 71 } <> red 34.145 35.472 23.481 { ca arg 72 } <> 35.161 34.174 26.896 { ca leu 73 } <> red 38.668 35.502 27.680 { ca arg 74 } <> 40.873 33.802 30.253 { ca gly 75 } <> 41.845 36.550 32.686 { ca gly 76 } <> 40.373 39.813 33.944