REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1tkw_1_B DATA FIRST_RESID 1 DATA SEQUENCE YPIFAQQNYE NPREATGRIV CANCHLASKP VDIEVPQAVL PDTVFEAVVK DATA SEQUENCE IPYDMQLKQV LANGKKGALN VGAVLILPEG FELAPPDRIS PEMKEKIGNL DATA SEQUENCE SFQNYRPNKK NILVIGPVPG QKYSEITFPI LAPDPATNKD VHFLKYPIYV DATA SEQUENCE GGNRGRGQIY PDGSKSNNTV YNATAGGIIS KILRKEKGGY EITIVDASNE DATA SEQUENCE RQVIDIIPRG LELLVSEGES IKLDQPLTSN PNVGGFGQGD AEIVLQDPLR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Y HA 0.000 4.248 4.550 -0.503 0.000 0.201 1 Y C 0.000 175.467 175.900 -0.721 0.000 1.272 1 Y CA 0.000 57.487 58.100 -1.022 0.000 1.940 1 Y CB 0.000 37.645 38.460 -1.358 0.000 1.050 2 P HA 0.051 4.450 4.420 -0.036 0.000 0.222 2 P C 0.573 177.806 177.300 -0.112 0.000 1.147 2 P CA 1.653 64.695 63.100 -0.095 0.000 0.790 2 P CB 0.602 32.270 31.700 -0.053 0.000 0.780 3 I N -2.953 117.549 120.570 -0.114 0.000 2.617 3 I HA -0.191 3.950 4.170 -0.049 0.000 0.256 3 I C 0.168 176.443 176.117 0.263 0.000 1.167 3 I CA 1.909 63.235 61.300 0.043 0.000 1.469 3 I CB -0.169 37.906 38.000 0.125 0.000 1.098 3 I HN -0.133 7.915 8.210 -0.198 0.043 0.436 4 F N -0.439 119.561 119.950 0.083 0.000 2.206 4 F HA -0.139 4.418 4.527 0.050 0.000 0.298 4 F C 2.044 177.929 175.800 0.141 0.000 1.090 4 F CA -0.068 57.982 58.000 0.084 0.000 1.323 4 F CB -2.187 36.861 39.000 0.080 0.000 1.028 4 F HN -0.672 7.451 8.300 -0.120 0.105 0.492 5 A N -1.447 121.559 122.820 0.311 0.000 1.897 5 A HA -0.393 4.335 4.320 0.680 0.000 0.215 5 A C 1.441 179.211 177.584 0.310 0.000 1.181 5 A CA 2.795 55.075 52.037 0.404 0.000 0.620 5 A CB -0.673 18.498 19.000 0.285 0.000 0.821 5 A HN -0.516 7.746 8.150 0.187 0.000 0.443 6 Q N -2.650 117.091 119.800 -0.099 0.000 2.119 6 Q HA -0.359 3.421 4.340 -0.933 0.000 0.201 6 Q C 2.313 178.263 176.000 -0.084 0.000 0.972 6 Q CA 2.659 58.179 55.803 -0.473 0.000 0.847 6 Q CB 0.100 28.485 28.738 -0.589 0.000 0.903 6 Q HN -0.626 7.586 8.270 -0.097 0.000 0.433 7 Q N -3.798 116.010 119.800 0.013 0.000 2.224 7 Q HA -0.188 4.153 4.340 0.002 0.000 0.203 7 Q C 0.881 176.886 176.000 0.009 0.000 0.970 7 Q CA 1.947 57.765 55.803 0.025 0.000 0.865 7 Q CB 0.802 29.573 28.738 0.054 0.000 0.922 7 Q HN -0.150 8.048 8.270 0.054 0.104 0.445 8 N N -5.154 113.550 118.700 0.007 0.000 2.307 8 N HA 0.006 4.678 4.740 -0.113 0.000 0.248 8 N C -1.249 174.046 175.510 -0.359 0.000 1.322 8 N CA -0.253 52.696 53.050 -0.169 0.000 0.861 8 N CB 1.186 39.520 38.487 -0.254 0.000 1.303 8 N HN -0.728 7.710 8.380 0.097 0.000 0.498 9 Y N 0.216 120.598 120.300 0.136 0.000 2.333 9 Y HA 0.133 4.744 4.550 0.101 0.000 0.324 9 Y C 0.292 176.329 175.900 0.229 0.000 1.033 9 Y CA -0.816 57.379 58.100 0.157 0.000 1.224 9 Y CB 1.530 40.094 38.460 0.175 0.000 1.120 9 Y HN -0.456 7.957 8.280 0.222 0.000 0.457 10 E N 4.397 124.752 120.200 0.258 0.000 2.085 10 E HA -0.379 4.122 4.350 0.252 0.000 0.194 10 E C -0.752 175.950 176.600 0.170 0.000 0.994 10 E CA 1.956 58.485 56.400 0.214 0.000 0.801 10 E CB 0.267 30.037 29.700 0.117 0.000 0.743 10 E HN 0.378 8.847 8.360 0.182 0.000 0.453 11 N N -1.312 117.434 118.700 0.077 0.000 2.314 11 N HA 0.176 4.776 4.740 -0.233 0.000 0.294 11 N C -1.683 173.719 175.510 -0.180 0.000 1.029 11 N CA -2.589 50.394 53.050 -0.113 0.000 0.845 11 N CB 1.394 39.843 38.487 -0.063 0.000 1.321 11 N HN -0.522 7.938 8.380 0.132 0.000 0.481 12 P HA -0.008 4.288 4.420 -0.206 0.000 0.229 12 P C -1.401 175.768 177.300 -0.218 0.000 1.160 12 P CA 0.904 63.798 63.100 -0.343 0.000 0.777 12 P CB 0.809 32.199 31.700 -0.517 0.000 0.814 13 R N -1.493 118.889 120.500 -0.196 0.000 2.294 13 R HA 0.184 4.427 4.340 -0.161 0.000 0.319 13 R C -0.345 175.872 176.300 -0.138 0.000 0.984 13 R CA -0.891 55.106 56.100 -0.172 0.000 0.861 13 R CB 1.360 31.530 30.300 -0.216 0.000 1.104 13 R HN -0.865 7.412 8.270 -0.209 -0.133 0.451 14 E N 4.971 125.096 120.200 -0.125 0.000 2.322 14 E HA 0.148 4.462 4.350 -0.060 0.000 0.257 14 E C 1.285 177.837 176.600 -0.079 0.000 1.155 14 E CA -0.719 55.632 56.400 -0.083 0.000 0.936 14 E CB 1.469 31.125 29.700 -0.074 0.000 1.130 14 E HN 0.168 8.448 8.360 -0.133 0.000 0.465 15 A N 1.274 124.064 122.820 -0.051 0.000 2.019 15 A HA -0.212 4.074 4.320 -0.056 0.000 0.219 15 A C 0.715 178.268 177.584 -0.051 0.000 1.164 15 A CA 2.613 54.622 52.037 -0.047 0.000 0.644 15 A CB -0.520 18.465 19.000 -0.025 0.000 0.805 15 A HN 0.594 8.724 8.150 -0.034 0.000 0.449 16 T N -7.028 107.498 114.554 -0.047 0.000 3.072 16 T HA -0.132 4.199 4.350 -0.031 0.000 0.266 16 T C 1.253 175.919 174.700 -0.056 0.000 1.127 16 T CA -0.736 61.340 62.100 -0.039 0.000 1.107 16 T CB 0.112 68.964 68.868 -0.027 0.000 0.910 16 T HN -0.372 7.813 8.240 -0.044 0.029 0.513 17 G N 1.437 110.184 108.800 -0.089 0.000 2.176 17 G HA2 -0.345 3.490 3.960 -0.209 0.000 0.232 17 G HA3 -0.345 3.547 3.960 -0.113 0.000 0.232 17 G C -0.750 174.092 174.900 -0.097 0.000 0.986 17 G CA -0.379 44.641 45.100 -0.133 0.000 0.643 17 G HN -0.180 7.878 8.290 -0.093 0.176 0.522 18 R N -0.277 120.185 120.500 -0.063 0.000 2.349 18 R HA 0.073 4.609 4.340 0.029 -0.179 0.299 18 R C -0.256 176.011 176.300 -0.055 0.000 1.027 18 R CA -0.765 55.323 56.100 -0.020 0.000 0.958 18 R CB 1.335 31.627 30.300 -0.015 0.000 1.047 18 R HN -0.804 7.368 8.270 -0.066 0.058 0.468 19 I N 2.925 123.497 120.570 0.004 0.000 2.519 19 I HA 0.124 4.423 4.170 -0.109 -0.194 0.287 19 I C 1.990 177.959 176.117 -0.247 0.000 1.047 19 I CA 0.002 61.259 61.300 -0.071 0.000 1.381 19 I CB 0.602 38.674 38.000 0.120 0.000 1.417 19 I HN -0.248 8.213 8.210 0.130 -0.174 0.540 20 V N 1.568 121.290 119.914 -0.319 0.000 3.140 20 V HA -0.276 3.555 4.120 -0.481 0.000 0.269 20 V C 1.272 177.107 176.094 -0.432 0.000 1.149 20 V CA 2.979 64.977 62.300 -0.502 0.000 1.162 20 V CB -0.651 30.644 31.823 -0.880 0.000 0.756 20 V HN 0.417 8.445 8.190 -0.270 0.000 0.523 21 C N -0.463 118.538 119.300 -0.498 0.000 2.446 21 C HA -0.198 4.155 4.460 -0.179 0.000 0.279 21 C C 1.529 176.227 174.990 -0.486 0.000 1.366 21 C CA 2.135 60.860 59.018 -0.489 0.000 1.763 21 C CB -2.693 24.551 27.740 -0.826 0.000 1.929 21 C HN 0.006 7.848 8.230 -0.542 0.063 0.509 22 A N -0.592 121.851 122.820 -0.629 0.000 2.216 22 A HA -0.035 4.407 4.320 -0.170 -0.224 0.214 22 A C 0.830 178.343 177.584 -0.119 0.000 1.160 22 A CA 2.287 54.167 52.037 -0.262 0.000 0.725 22 A CB -0.674 18.264 19.000 -0.104 0.000 0.784 22 A HN -0.108 7.566 8.150 -0.748 0.027 0.472 23 N N -2.534 116.081 118.700 -0.142 0.000 2.300 23 N HA -0.136 4.578 4.740 -0.044 0.000 0.179 23 N C 0.701 176.189 175.510 -0.037 0.000 1.016 23 N CA 2.550 55.562 53.050 -0.064 0.000 0.876 23 N CB 0.518 38.976 38.487 -0.049 0.000 0.979 23 N HN -0.414 7.654 8.380 -0.216 0.182 0.432 24 C N -3.807 115.451 119.300 -0.069 0.000 2.628 24 C HA 0.095 4.515 4.460 -0.067 0.000 0.393 24 C C -0.576 174.275 174.990 -0.231 0.000 1.328 24 C CA 0.271 59.214 59.018 -0.125 0.000 2.079 24 C CB 1.132 28.789 27.740 -0.138 0.000 2.663 24 C HN -0.563 7.617 8.230 -0.084 0.000 0.557 25 H N 2.705 121.749 119.070 -0.043 0.000 3.008 25 H HA 0.180 4.752 4.556 0.026 0.000 0.268 25 H C -0.440 174.905 175.328 0.027 0.000 1.323 25 H CA -0.039 56.008 56.048 -0.003 0.000 1.401 25 H CB -1.436 28.318 29.762 -0.015 0.000 1.556 25 H HN 0.442 8.677 8.280 -0.075 0.000 0.502 26 L N 3.250 124.524 121.223 0.085 0.000 2.446 26 L HA 0.060 4.441 4.340 0.067 0.000 0.219 26 L C 0.353 177.283 176.870 0.099 0.000 1.116 26 L CA 0.458 55.342 54.840 0.072 0.000 0.844 26 L CB 0.583 42.658 42.059 0.027 0.000 0.970 26 L HN -0.481 7.916 8.230 0.038 -0.145 0.457 27 A N -1.135 121.757 122.820 0.120 0.000 2.363 27 A HA 0.082 4.450 4.320 0.081 0.000 0.270 27 A C -1.444 176.216 177.584 0.127 0.000 1.121 27 A CA -0.423 51.677 52.037 0.104 0.000 0.800 27 A CB 0.980 20.035 19.000 0.093 0.000 1.052 27 A HN -0.558 7.674 8.150 0.136 0.000 0.493 28 S N 1.893 117.650 115.700 0.096 0.000 2.457 28 S HA 0.626 5.399 4.470 0.115 -0.234 0.289 28 S C -0.290 174.340 174.600 0.050 0.000 1.163 28 S CA -0.700 57.550 58.200 0.084 0.000 1.078 28 S CB 0.803 64.042 63.200 0.066 0.000 0.987 28 S HN 0.305 8.661 8.310 0.077 0.000 0.482 29 K N 5.943 126.356 120.400 0.022 0.000 2.502 29 K HA 0.529 4.862 4.320 0.021 0.000 0.257 29 K C -2.613 173.966 176.600 -0.036 0.000 0.938 29 K CA -3.302 52.991 56.287 0.010 0.000 0.819 29 K CB 3.040 35.560 32.500 0.034 0.000 1.333 29 K HN -0.238 7.898 8.250 0.003 0.115 0.434 30 P HA 0.029 4.418 4.420 -0.052 0.000 0.271 30 P C -1.988 175.282 177.300 -0.050 0.000 1.216 30 P CA -0.243 62.835 63.100 -0.035 0.000 0.776 30 P CB 0.424 32.119 31.700 -0.009 0.000 0.881 31 V N 2.739 122.606 119.914 -0.078 0.000 2.735 31 V HA 0.634 4.896 4.120 -0.041 -0.167 0.310 31 V C -0.818 175.251 176.094 -0.041 0.000 1.061 31 V CA -1.544 60.711 62.300 -0.074 0.000 0.913 31 V CB 3.685 35.413 31.823 -0.159 0.000 1.005 31 V HN 0.202 8.342 8.190 -0.082 0.000 0.428 32 D N 4.678 125.070 120.400 -0.012 0.000 2.527 32 D HA 0.431 5.063 4.640 -0.014 0.000 0.233 32 D C -2.090 174.216 176.300 0.010 0.000 1.063 32 D CA -1.413 52.586 54.000 -0.002 0.000 0.880 32 D CB 4.357 45.163 40.800 0.009 0.000 1.457 32 D HN 0.382 8.648 8.370 0.003 0.107 0.475 33 I N 1.653 122.225 120.570 0.003 0.000 2.586 33 I HA 0.654 5.090 4.170 0.039 -0.242 0.288 33 I C -2.259 173.865 176.117 0.013 0.000 1.147 33 I CA -1.281 60.026 61.300 0.012 0.000 1.047 33 I CB 3.379 41.368 38.000 -0.019 0.000 1.244 33 I HN 0.299 8.507 8.210 -0.005 0.000 0.429 34 E N 10.102 130.324 120.200 0.037 0.000 2.133 34 E HA 0.347 4.706 4.350 0.015 0.000 0.274 34 E C -1.904 174.727 176.600 0.053 0.000 0.930 34 E CA -0.710 55.711 56.400 0.034 0.000 0.770 34 E CB 2.033 31.758 29.700 0.041 0.000 1.104 34 E HN 0.394 8.788 8.360 0.058 0.000 0.403 35 V N 5.304 125.236 119.914 0.029 0.000 2.876 35 V HA 0.368 4.556 4.120 0.112 0.000 0.312 35 V C -1.833 174.259 176.094 -0.004 0.000 1.085 35 V CA -3.975 58.349 62.300 0.040 0.000 0.945 35 V CB 2.714 34.534 31.823 -0.005 0.000 1.017 35 V HN 0.266 8.459 8.190 0.005 0.000 0.428 36 P HA 0.040 4.455 4.420 -0.008 0.000 0.268 36 P C -0.174 177.078 177.300 -0.080 0.000 1.204 36 P CA -0.664 62.414 63.100 -0.036 0.000 0.768 36 P CB 1.104 32.788 31.700 -0.026 0.000 0.842 37 Q N 1.366 121.135 119.800 -0.052 0.000 2.112 37 Q HA -0.351 3.955 4.340 -0.057 0.000 0.206 37 Q C 0.508 176.470 176.000 -0.064 0.000 0.987 37 Q CA 3.028 58.799 55.803 -0.053 0.000 0.858 37 Q CB 0.392 29.110 28.738 -0.034 0.000 0.905 37 Q HN 0.374 8.624 8.270 -0.032 0.000 0.420 38 A N -5.761 117.022 122.820 -0.063 0.000 2.572 38 A HA 0.266 4.672 4.320 -0.050 -0.116 0.295 38 A C -1.882 175.663 177.584 -0.065 0.000 1.072 38 A CA -1.390 50.616 52.037 -0.051 0.000 0.691 38 A CB 2.589 21.575 19.000 -0.023 0.000 1.291 38 A HN -0.712 7.396 8.150 -0.055 0.009 0.404 39 V N -4.271 115.614 119.914 -0.049 0.000 3.078 39 V HA 0.694 4.803 4.120 -0.019 0.000 0.311 39 V C -1.698 174.425 176.094 0.048 0.000 1.138 39 V CA -2.247 60.034 62.300 -0.033 0.000 1.007 39 V CB 3.225 34.957 31.823 -0.152 0.000 1.045 39 V HN 0.269 8.454 8.190 -0.009 0.000 0.432 40 L N 1.055 122.316 121.223 0.064 0.000 2.387 40 L HA 0.738 5.139 4.340 0.102 0.000 0.266 40 L C -1.189 175.745 176.870 0.106 0.000 1.059 40 L CA -3.943 50.949 54.840 0.087 0.000 0.801 40 L CB 0.292 42.384 42.059 0.055 0.000 1.223 40 L HN 0.050 8.317 8.230 0.062 0.000 0.456 41 P HA -0.008 4.592 4.420 0.020 -0.167 0.268 41 P C -0.486 176.830 177.300 0.026 0.000 1.204 41 P CA 0.150 63.297 63.100 0.079 0.000 0.768 41 P CB 0.100 31.888 31.700 0.147 0.000 0.842 42 D N -1.127 119.254 120.400 -0.031 0.000 2.699 42 D HA -0.463 4.278 4.640 -0.062 -0.139 0.239 42 D C -1.776 174.530 176.300 0.010 0.000 1.136 42 D CA 1.760 55.742 54.000 -0.029 0.000 0.668 42 D CB -0.540 40.245 40.800 -0.025 0.000 1.060 42 D HN 0.094 8.325 8.370 -0.087 0.087 0.429 43 T N -7.669 106.913 114.554 0.046 0.000 2.893 43 T HA 0.330 4.711 4.350 0.052 0.000 0.291 43 T C -1.152 173.626 174.700 0.130 0.000 1.028 43 T CA -2.075 60.074 62.100 0.081 0.000 0.995 43 T CB 2.864 71.792 68.868 0.099 0.000 1.051 43 T HN -0.674 7.596 8.240 0.050 0.000 0.470 44 V N 4.546 124.512 119.914 0.087 0.000 2.498 44 V HA 0.608 4.912 4.120 -0.014 -0.192 0.279 44 V C -0.173 176.002 176.094 0.135 0.000 1.048 44 V CA 0.008 62.332 62.300 0.040 0.000 0.967 44 V CB 0.097 31.907 31.823 -0.023 0.000 0.988 44 V HN 0.385 8.613 8.190 0.062 0.000 0.473 45 F N 5.996 125.967 119.950 0.035 0.000 2.640 45 F HA 0.619 5.167 4.527 0.034 0.000 0.324 45 F C -2.092 173.731 175.800 0.038 0.000 1.077 45 F CA -2.287 55.739 58.000 0.042 0.000 0.965 45 F CB 2.962 41.999 39.000 0.063 0.000 1.351 45 F HN 0.737 8.811 8.300 -0.376 0.000 0.487 46 E N -1.648 118.667 120.200 0.191 0.000 2.187 46 E HA 0.602 5.077 4.350 -0.092 -0.181 0.268 46 E C -1.023 175.701 176.600 0.207 0.000 0.896 46 E CA -2.514 53.928 56.400 0.070 0.000 0.766 46 E CB 2.001 31.742 29.700 0.068 0.000 1.142 46 E HN 0.056 8.608 8.360 0.320 0.000 0.408 47 A N 4.590 127.502 122.820 0.154 0.000 2.322 47 A HA 0.391 4.971 4.320 0.214 -0.132 0.327 47 A C -1.691 176.035 177.584 0.236 0.000 1.394 47 A CA -1.350 50.807 52.037 0.200 0.000 0.921 47 A CB 1.603 20.683 19.000 0.134 0.000 1.153 47 A HN 0.761 8.951 8.150 0.067 0.000 0.523 48 V N 7.124 127.147 119.914 0.182 0.000 2.406 48 V HA 0.841 5.350 4.120 0.249 -0.240 0.272 48 V C -1.897 174.304 176.094 0.178 0.000 1.043 48 V CA -2.120 60.295 62.300 0.191 0.000 0.915 48 V CB 1.872 33.771 31.823 0.126 0.000 0.988 48 V HN -0.183 8.096 8.190 0.148 0.000 0.466 49 V N 10.983 131.049 119.914 0.253 0.000 2.427 49 V HA 0.467 4.830 4.120 0.112 -0.176 0.286 49 V C -1.269 174.921 176.094 0.159 0.000 1.034 49 V CA -1.189 61.225 62.300 0.190 0.000 0.893 49 V CB 1.566 33.550 31.823 0.269 0.000 0.982 49 V HN 0.899 9.302 8.190 0.356 0.000 0.452 50 K N 7.094 127.554 120.400 0.100 0.000 2.307 50 K HA 0.487 5.007 4.320 0.108 -0.135 0.263 50 K C -1.096 175.551 176.600 0.078 0.000 0.973 50 K CA -0.936 55.404 56.287 0.088 0.000 0.846 50 K CB 1.905 34.441 32.500 0.060 0.000 1.100 50 K HN 1.038 9.208 8.250 0.072 0.124 0.438 51 I N 5.078 125.714 120.570 0.109 0.000 2.697 51 I HA 0.506 4.715 4.170 0.065 0.000 0.279 51 I C -2.649 173.588 176.117 0.200 0.000 1.171 51 I CA -2.894 58.475 61.300 0.114 0.000 1.135 51 I CB 0.648 38.715 38.000 0.111 0.000 1.445 51 I HN 0.811 8.988 8.210 0.131 0.111 0.541 52 P HA 0.258 4.731 4.420 0.089 0.000 0.278 52 P C -1.898 175.537 177.300 0.226 0.000 1.238 52 P CA -0.698 62.478 63.100 0.128 0.000 0.794 52 P CB 0.864 32.589 31.700 0.042 0.000 0.955 53 Y N -2.747 117.562 120.300 0.016 0.000 2.604 53 Y HA 0.252 4.812 4.550 0.017 0.000 0.331 53 Y C -2.265 173.645 175.900 0.017 0.000 1.158 53 Y CA -1.670 56.442 58.100 0.019 0.000 1.056 53 Y CB 1.191 39.667 38.460 0.026 0.000 1.330 53 Y HN -0.440 7.700 8.280 -0.233 0.000 0.457 54 D N 1.468 121.880 120.400 0.020 0.000 2.434 54 D HA -0.014 4.548 4.640 -0.130 0.000 0.252 54 D C 0.816 177.071 176.300 -0.075 0.000 1.185 54 D CA 0.776 54.742 54.000 -0.057 0.000 0.886 54 D CB 0.485 41.303 40.800 0.029 0.000 1.148 54 D HN 0.174 8.630 8.370 0.143 0.000 0.483 55 M N 3.968 123.433 119.600 -0.225 0.000 2.659 55 M HA -0.120 4.347 4.480 -0.021 0.000 0.243 55 M C 0.191 176.511 176.300 0.034 0.000 1.111 55 M CA 0.936 56.158 55.300 -0.129 0.000 1.070 55 M CB -0.377 32.093 32.600 -0.218 0.000 1.525 55 M HN 0.393 8.533 8.290 -0.249 0.000 0.517 56 Q N -3.511 116.308 119.800 0.032 0.000 2.360 56 Q HA -0.027 4.339 4.340 0.043 0.000 0.202 56 Q C 0.432 176.476 176.000 0.074 0.000 0.915 56 Q CA -0.572 55.258 55.803 0.045 0.000 0.943 56 Q CB 0.139 28.891 28.738 0.024 0.000 1.064 56 Q HN -0.305 7.905 8.270 0.014 0.068 0.511 57 L N 2.099 123.391 121.223 0.115 0.000 2.380 57 L HA -0.006 4.387 4.340 0.089 0.000 0.273 57 L C -0.900 176.036 176.870 0.111 0.000 1.138 57 L CA 0.247 55.159 54.840 0.119 0.000 0.832 57 L CB 0.543 42.699 42.059 0.162 0.000 1.124 57 L HN -0.918 7.316 8.230 0.141 0.081 0.454 58 K N 2.194 122.642 120.400 0.080 0.000 2.413 58 K HA 0.596 5.117 4.320 0.073 -0.158 0.257 58 K C -1.030 175.605 176.600 0.059 0.000 0.946 58 K CA -1.378 54.949 56.287 0.068 0.000 0.823 58 K CB 1.640 34.174 32.500 0.057 0.000 1.109 58 K HN 0.017 8.310 8.250 0.072 0.000 0.427 59 Q N 2.367 122.199 119.800 0.053 0.000 2.199 59 Q HA 0.285 4.657 4.340 0.053 0.000 0.232 59 Q C -0.739 175.292 176.000 0.052 0.000 0.969 59 Q CA -1.461 54.373 55.803 0.050 0.000 0.925 59 Q CB 2.081 30.844 28.738 0.041 0.000 1.198 59 Q HN 0.170 8.471 8.270 0.052 0.000 0.494 60 V N 0.943 120.891 119.914 0.056 0.000 2.389 60 V HA -0.048 4.212 4.120 0.052 -0.109 0.264 60 V C -0.790 175.339 176.094 0.059 0.000 1.049 60 V CA 0.971 63.306 62.300 0.057 0.000 0.932 60 V CB -0.791 31.071 31.823 0.064 0.000 1.011 60 V HN 0.525 8.750 8.190 0.059 0.000 0.475 61 L N 7.269 128.524 121.223 0.053 0.000 2.476 61 L HA -0.079 4.296 4.340 0.057 0.000 0.255 61 L C 1.398 178.304 176.870 0.061 0.000 1.218 61 L CA 0.414 55.287 54.840 0.055 0.000 0.819 61 L CB 1.526 43.615 42.059 0.049 0.000 1.119 61 L HN 0.775 8.929 8.230 0.049 0.105 0.485 62 A N -1.312 121.548 122.820 0.066 0.000 2.234 62 A HA -0.151 4.371 4.320 0.100 -0.141 0.216 62 A C -0.428 177.192 177.584 0.060 0.000 1.167 62 A CA 2.392 54.477 52.037 0.080 0.000 0.698 62 A CB -0.037 19.013 19.000 0.083 0.000 0.779 62 A HN 0.316 8.504 8.150 0.064 0.000 0.475 63 N N -5.964 112.762 118.700 0.045 0.000 2.235 63 N HA -0.053 4.701 4.740 0.025 0.000 0.231 63 N C -0.205 175.315 175.510 0.017 0.000 1.177 63 N CA -0.547 52.520 53.050 0.028 0.000 0.874 63 N CB 0.714 39.216 38.487 0.024 0.000 1.097 63 N HN -0.481 7.853 8.380 0.046 0.074 0.518 64 G N -0.327 108.488 108.800 0.024 0.000 2.336 64 G HA2 -0.515 3.579 3.960 0.021 0.000 0.233 64 G HA3 -0.515 3.445 3.960 -0.000 0.000 0.233 64 G C -0.244 174.669 174.900 0.023 0.000 1.053 64 G CA 0.203 45.312 45.100 0.016 0.000 0.625 64 G HN -0.011 8.243 8.290 0.036 0.058 0.511 65 K N 1.717 122.131 120.400 0.024 0.000 2.276 65 K HA -0.054 4.280 4.320 0.024 0.000 0.259 65 K C -0.603 176.018 176.600 0.035 0.000 1.001 65 K CA -0.019 56.284 56.287 0.027 0.000 0.927 65 K CB 0.675 33.190 32.500 0.025 0.000 0.969 65 K HN -0.669 7.694 8.250 0.023 -0.100 0.490 66 K N -1.044 119.377 120.400 0.036 0.000 2.138 66 K HA 0.755 5.319 4.320 0.044 -0.217 0.263 66 K C 0.251 176.876 176.600 0.042 0.000 0.965 66 K CA -0.703 55.609 56.287 0.041 0.000 0.868 66 K CB 1.872 34.397 32.500 0.041 0.000 1.083 66 K HN 0.102 8.371 8.250 0.032 0.000 0.443 67 G N 0.634 109.462 108.800 0.046 0.000 2.749 67 G HA2 0.274 4.261 3.960 0.046 0.000 0.300 67 G HA3 0.274 4.262 3.960 0.047 0.000 0.300 67 G C -2.799 172.133 174.900 0.054 0.000 1.352 67 G CA -0.275 44.853 45.100 0.048 0.000 0.789 67 G HN 0.084 8.403 8.290 0.048 0.000 0.509 68 A N -2.143 120.712 122.820 0.058 0.000 2.280 68 A HA 0.247 4.619 4.320 0.087 0.000 0.268 68 A C -0.133 177.477 177.584 0.044 0.000 1.111 68 A CA -0.193 51.887 52.037 0.071 0.000 0.814 68 A CB 1.080 20.130 19.000 0.083 0.000 1.093 68 A HN -0.020 8.163 8.150 0.055 0.000 0.498 69 L N -1.753 119.477 121.223 0.012 0.000 2.352 69 L HA 0.169 4.489 4.340 -0.032 0.000 0.269 69 L C -0.700 176.141 176.870 -0.049 0.000 1.034 69 L CA -0.746 54.049 54.840 -0.075 0.000 0.806 69 L CB 1.664 43.550 42.059 -0.287 0.000 1.244 69 L HN 0.293 8.554 8.230 0.052 0.000 0.447 70 N N -0.295 118.388 118.700 -0.028 0.000 2.384 70 N HA 0.327 5.246 4.740 0.044 -0.153 0.301 70 N C -1.798 173.710 175.510 -0.003 0.000 1.133 70 N CA -0.405 52.660 53.050 0.025 0.000 0.853 70 N CB 3.514 42.051 38.487 0.084 0.000 1.241 70 N HN 0.059 8.423 8.380 -0.027 0.000 0.502 71 V N -0.248 119.686 119.914 0.033 0.000 2.769 71 V HA 0.892 5.218 4.120 -0.006 -0.210 0.312 71 V C -1.228 174.890 176.094 0.041 0.000 1.058 71 V CA -2.726 59.594 62.300 0.033 0.000 0.952 71 V CB 3.869 35.746 31.823 0.089 0.000 1.019 71 V HN 0.976 9.092 8.190 0.066 0.114 0.445 72 G N 2.292 111.119 108.800 0.045 0.000 2.718 72 G HA2 0.751 4.882 3.960 0.048 0.000 0.295 72 G HA3 0.751 4.731 3.960 0.033 0.000 0.295 72 G C -3.448 171.519 174.900 0.111 0.000 1.421 72 G CA -0.175 44.958 45.100 0.056 0.000 0.902 72 G HN 0.081 8.395 8.290 0.040 0.000 0.501 73 A N 0.224 123.145 122.820 0.168 0.000 2.606 73 A HA 1.113 5.744 4.320 0.183 -0.201 0.293 73 A C -2.998 174.705 177.584 0.198 0.000 1.082 73 A CA -1.287 50.873 52.037 0.204 0.000 0.685 73 A CB 4.615 23.779 19.000 0.272 0.000 1.284 73 A HN 0.625 8.875 8.150 0.166 0.000 0.408 74 V N 1.010 121.011 119.914 0.145 0.000 2.443 74 V HA 0.823 5.230 4.120 0.151 -0.197 0.293 74 V C -2.428 173.659 176.094 -0.012 0.000 1.021 74 V CA -1.964 60.407 62.300 0.118 0.000 0.848 74 V CB 3.796 35.721 31.823 0.170 0.000 0.998 74 V HN 0.124 8.401 8.190 0.143 0.000 0.424 75 L N 10.314 131.465 121.223 -0.121 0.000 2.272 75 L HA 0.564 4.913 4.340 -0.205 -0.133 0.289 75 L C -1.883 174.925 176.870 -0.102 0.000 1.032 75 L CA -1.222 53.476 54.840 -0.237 0.000 0.810 75 L CB 2.873 44.584 42.059 -0.579 0.000 1.205 75 L HN 1.006 9.089 8.230 -0.066 0.107 0.422 76 I N 6.789 127.332 120.570 -0.045 0.000 2.306 76 I HA 0.125 4.286 4.170 -0.015 0.000 0.288 76 I C -1.374 174.736 176.117 -0.012 0.000 1.036 76 I CA -0.271 61.032 61.300 0.005 0.000 1.221 76 I CB -0.145 37.904 38.000 0.082 0.000 1.385 76 I HN 1.042 9.128 8.210 -0.030 0.107 0.472 77 L N 8.205 129.405 121.223 -0.038 0.000 2.365 77 L HA 0.426 4.664 4.340 -0.171 0.000 0.267 77 L C -1.978 174.853 176.870 -0.064 0.000 1.033 77 L CA -2.817 51.964 54.840 -0.099 0.000 0.802 77 L CB 0.444 42.469 42.059 -0.056 0.000 1.267 77 L HN 0.451 8.669 8.230 -0.020 0.000 0.457 78 P HA 0.070 4.508 4.420 0.030 0.000 0.274 78 P C -1.058 176.265 177.300 0.038 0.000 1.237 78 P CA -1.115 61.945 63.100 -0.066 0.000 0.793 78 P CB 0.588 32.138 31.700 -0.251 0.000 0.977 79 E N 0.154 120.387 120.200 0.055 0.000 2.415 79 E HA -0.342 4.043 4.350 0.059 0.000 0.263 79 E C 0.903 177.532 176.600 0.048 0.000 0.995 79 E CA 1.836 58.269 56.400 0.055 0.000 0.915 79 E CB 0.033 29.758 29.700 0.042 0.000 0.951 79 E HN 0.212 8.613 8.360 0.067 0.000 0.449 80 G N 3.005 111.824 108.800 0.033 0.000 2.376 80 G HA2 -0.297 3.614 3.960 -0.081 0.000 0.208 80 G HA3 -0.297 3.590 3.960 -0.121 0.000 0.208 80 G C -0.510 174.338 174.900 -0.086 0.000 1.032 80 G CA -0.510 44.552 45.100 -0.063 0.000 0.641 80 G HN 0.490 8.804 8.290 0.040 0.000 0.503 81 F N 3.931 123.819 119.950 -0.103 0.000 2.443 81 F HA 0.099 4.767 4.527 -0.031 -0.159 0.353 81 F C -1.182 174.591 175.800 -0.046 0.000 1.101 81 F CA 0.845 58.814 58.000 -0.052 0.000 1.226 81 F CB 1.048 40.035 39.000 -0.023 0.000 1.140 81 F HN -0.788 7.687 8.300 0.418 0.076 0.557 82 E N -1.304 118.946 120.200 0.085 0.000 2.454 82 E HA 0.510 5.046 4.350 0.052 -0.155 0.279 82 E C -1.772 174.815 176.600 -0.022 0.000 1.029 82 E CA -2.407 54.011 56.400 0.030 0.000 0.831 82 E CB 3.609 33.311 29.700 0.004 0.000 1.405 82 E HN -0.237 8.147 8.360 0.040 0.000 0.463 83 L N 1.190 122.398 121.223 -0.027 0.000 2.499 83 L HA -0.067 4.324 4.340 -0.136 -0.133 0.273 83 L C -0.082 176.741 176.870 -0.078 0.000 1.195 83 L CA 0.826 55.621 54.840 -0.074 0.000 0.882 83 L CB 0.766 42.813 42.059 -0.020 0.000 1.133 83 L HN 0.490 8.722 8.230 0.004 0.000 0.483 84 A N 7.510 130.256 122.820 -0.123 0.000 2.511 84 A HA 0.105 4.374 4.320 -0.084 0.000 0.242 84 A C -1.724 175.830 177.584 -0.051 0.000 1.069 84 A CA -1.225 50.755 52.037 -0.095 0.000 0.763 84 A CB -0.885 18.042 19.000 -0.122 0.000 1.001 84 A HN 0.601 8.526 8.150 -0.181 0.116 0.498 85 P HA 0.223 4.640 4.420 -0.006 0.000 0.274 85 P C -0.915 176.380 177.300 -0.009 0.000 1.237 85 P CA -1.784 61.307 63.100 -0.015 0.000 0.793 85 P CB -0.777 30.914 31.700 -0.015 0.000 0.977 86 P HA -0.212 4.213 4.420 0.008 0.000 0.218 86 P C 0.532 177.832 177.300 -0.000 0.000 1.149 86 P CA 2.322 65.425 63.100 0.004 0.000 0.817 86 P CB 0.061 31.765 31.700 0.008 0.000 0.785 87 D N -5.199 115.200 120.400 -0.003 0.000 2.224 87 D HA -0.230 4.410 4.640 -0.001 0.000 0.205 87 D C 0.611 176.909 176.300 -0.004 0.000 0.965 87 D CA 1.791 55.790 54.000 -0.003 0.000 0.852 87 D CB -1.151 39.646 40.800 -0.004 0.000 0.947 87 D HN 0.288 8.656 8.370 -0.003 0.000 0.494 88 R N -1.561 118.934 120.500 -0.009 0.000 2.300 88 R HA 0.050 4.386 4.340 -0.006 0.000 0.199 88 R C -0.553 175.740 176.300 -0.011 0.000 0.920 88 R CA -1.132 54.962 56.100 -0.011 0.000 1.046 88 R CB 0.498 30.787 30.300 -0.018 0.000 0.984 88 R HN -0.612 7.521 8.270 -0.011 0.130 0.493 89 I N 1.158 121.722 120.570 -0.010 0.000 2.352 89 I HA -0.082 4.079 4.170 -0.016 0.000 0.290 89 I C -0.485 175.632 176.117 0.000 0.000 1.036 89 I CA 0.050 61.345 61.300 -0.009 0.000 1.336 89 I CB 0.548 38.544 38.000 -0.006 0.000 1.407 89 I HN -0.817 7.219 8.210 -0.008 0.170 0.497 90 S N 7.637 123.339 115.700 0.003 0.000 2.589 90 S HA 0.172 4.646 4.470 0.007 0.000 0.265 90 S C -0.015 174.591 174.600 0.010 0.000 1.342 90 S CA -1.401 56.803 58.200 0.008 0.000 1.005 90 S CB -0.105 63.102 63.200 0.011 0.000 0.909 90 S HN 0.261 8.571 8.310 0.001 0.000 0.555 91 P HA -0.076 4.350 4.420 0.011 0.000 0.220 91 P C 1.336 178.644 177.300 0.013 0.000 1.152 91 P CA 2.028 65.135 63.100 0.011 0.000 0.812 91 P CB 0.196 31.902 31.700 0.009 0.000 0.792 92 E N -2.347 117.862 120.200 0.014 0.000 2.274 92 E HA -0.153 4.368 4.350 0.015 -0.162 0.194 92 E C 1.806 178.418 176.600 0.020 0.000 0.996 92 E CA 2.943 59.353 56.400 0.016 0.000 0.840 92 E CB -0.585 29.125 29.700 0.016 0.000 0.772 92 E HN 0.468 8.816 8.360 0.013 0.021 0.491 93 M N -0.735 118.876 119.600 0.019 0.000 2.545 93 M HA -0.037 4.457 4.480 0.025 0.000 0.264 93 M C 0.978 177.293 176.300 0.026 0.000 1.155 93 M CA 2.279 57.592 55.300 0.021 0.000 1.162 93 M CB 0.270 32.877 32.600 0.012 0.000 1.330 93 M HN -0.620 7.518 8.290 0.016 0.161 0.479 94 K N -0.110 120.304 120.400 0.023 0.000 2.148 94 K HA -0.388 3.952 4.320 0.034 0.000 0.204 94 K C 0.988 177.607 176.600 0.032 0.000 1.050 94 K CA 3.438 59.742 56.287 0.027 0.000 0.942 94 K CB -0.069 32.443 32.500 0.019 0.000 0.724 94 K HN -0.102 8.067 8.250 0.018 0.092 0.446 95 E N -4.551 115.666 120.200 0.028 0.000 2.216 95 E HA -0.168 4.200 4.350 0.031 0.000 0.192 95 E C 2.396 179.021 176.600 0.042 0.000 0.988 95 E CA 2.036 58.454 56.400 0.030 0.000 0.834 95 E CB -0.248 29.465 29.700 0.021 0.000 0.772 95 E HN -0.727 7.631 8.360 0.024 0.016 0.479 96 K N -0.598 119.828 120.400 0.044 0.000 2.057 96 K HA -0.166 4.185 4.320 0.051 0.000 0.206 96 K C 1.694 178.344 176.600 0.083 0.000 1.050 96 K CA 2.322 58.641 56.287 0.055 0.000 0.935 96 K CB 0.147 32.675 32.500 0.045 0.000 0.715 96 K HN -0.306 7.838 8.250 0.037 0.128 0.439 97 I N -8.750 111.868 120.570 0.079 0.000 3.550 97 I HA 0.060 4.296 4.170 0.110 0.000 0.295 97 I C 0.057 176.221 176.117 0.078 0.000 1.291 97 I CA -0.282 61.077 61.300 0.099 0.000 1.298 97 I CB -0.415 37.669 38.000 0.141 0.000 1.026 97 I HN -0.534 7.714 8.210 0.063 0.000 0.491 98 G N 1.390 110.256 108.800 0.109 0.000 2.646 98 G HA2 -0.501 3.524 3.960 0.108 0.000 0.324 98 G HA3 -0.501 3.613 3.960 0.257 0.000 0.324 98 G C -0.576 174.345 174.900 0.036 0.000 1.195 98 G CA 1.626 46.802 45.100 0.128 0.000 0.976 98 G HN -0.276 7.863 8.290 0.097 0.210 0.546 99 N N 2.056 120.742 118.700 -0.023 0.000 2.595 99 N HA 0.025 4.722 4.740 -0.071 0.000 0.291 99 N C -0.622 174.751 175.510 -0.227 0.000 1.706 99 N CA -0.678 52.320 53.050 -0.088 0.000 0.867 99 N CB 0.556 39.017 38.487 -0.043 0.000 1.414 99 N HN -0.013 8.357 8.380 -0.017 0.000 0.492 100 L N 1.484 122.477 121.223 -0.385 0.000 2.417 100 L HA 0.129 4.109 4.340 -0.600 0.000 0.268 100 L C 0.228 176.671 176.870 -0.712 0.000 1.158 100 L CA 0.482 54.912 54.840 -0.682 0.000 0.819 100 L CB 0.591 42.024 42.059 -1.044 0.000 1.112 100 L HN -0.658 7.384 8.230 -0.312 0.000 0.458 101 S N 1.588 116.905 115.700 -0.637 0.000 2.532 101 S HA 0.104 4.377 4.470 -0.329 0.000 0.318 101 S C -0.625 173.707 174.600 -0.447 0.000 1.083 101 S CA -0.954 56.992 58.200 -0.424 0.000 1.131 101 S CB 0.257 63.317 63.200 -0.234 0.000 0.973 101 S HN -0.104 7.852 8.310 -0.589 0.000 0.468 102 F N 5.734 125.639 119.950 -0.074 0.000 2.472 102 F HA 0.099 4.750 4.527 -0.004 -0.127 0.364 102 F C 0.629 176.435 175.800 0.010 0.000 1.090 102 F CA 0.172 58.166 58.000 -0.011 0.000 1.188 102 F CB 0.243 39.263 39.000 0.034 0.000 1.105 102 F HN 0.239 8.385 8.300 -0.257 0.000 0.536 103 Q N 2.741 122.638 119.800 0.161 0.000 2.257 103 Q HA 0.248 4.637 4.340 0.082 0.000 0.262 103 Q C -0.476 175.600 176.000 0.128 0.000 0.997 103 Q CA -1.851 54.010 55.803 0.096 0.000 0.873 103 Q CB 2.632 31.384 28.738 0.023 0.000 1.312 103 Q HN 0.436 8.802 8.270 0.160 0.000 0.450 104 N N 0.787 119.548 118.700 0.100 0.000 2.530 104 N HA 0.102 5.077 4.740 0.147 -0.146 0.273 104 N C 0.493 176.083 175.510 0.132 0.000 1.173 104 N CA 0.200 53.324 53.050 0.123 0.000 0.967 104 N CB 0.260 38.804 38.487 0.095 0.000 1.109 104 N HN 0.270 8.695 8.380 0.074 0.000 0.453 105 Y N 4.313 124.649 120.300 0.060 0.000 2.193 105 Y HA -0.392 4.339 4.550 0.061 -0.144 0.285 105 Y C -0.266 175.666 175.900 0.054 0.000 1.166 105 Y CA 3.926 62.060 58.100 0.058 0.000 1.181 105 Y CB 0.920 39.414 38.460 0.056 0.000 0.976 105 Y HN 0.366 8.823 8.280 0.295 0.000 0.520 106 R N -5.626 114.992 120.500 0.197 0.000 2.710 106 R HA 0.334 4.704 4.340 0.050 0.000 0.270 106 R C -2.042 174.313 176.300 0.092 0.000 1.021 106 R CA -2.607 53.562 56.100 0.115 0.000 0.889 106 R CB 2.168 32.566 30.300 0.162 0.000 1.243 106 R HN -0.945 7.453 8.270 0.235 0.013 0.464 107 P HA -0.115 4.334 4.420 0.047 0.000 0.222 107 P C -0.694 176.637 177.300 0.050 0.000 1.147 107 P CA 2.011 65.140 63.100 0.048 0.000 0.790 107 P CB 0.425 32.144 31.700 0.032 0.000 0.780 108 N N -5.697 113.038 118.700 0.058 0.000 2.415 108 N HA -0.147 4.617 4.740 0.040 0.000 0.176 108 N C 0.033 175.579 175.510 0.059 0.000 1.042 108 N CA 0.570 53.651 53.050 0.051 0.000 0.902 108 N CB -0.353 38.163 38.487 0.048 0.000 0.986 108 N HN -0.024 8.359 8.380 0.066 0.036 0.447 109 K N 0.712 121.162 120.400 0.083 0.000 2.184 109 K HA 0.166 4.525 4.320 0.065 0.000 0.259 109 K C -0.242 176.410 176.600 0.086 0.000 1.119 109 K CA -1.151 55.189 56.287 0.087 0.000 0.991 109 K CB -1.677 30.897 32.500 0.123 0.000 1.522 109 K HN -0.563 7.602 8.250 0.099 0.144 0.405 110 K N 1.504 121.942 120.400 0.063 0.000 2.459 110 K HA -0.214 4.146 4.320 0.067 0.000 0.193 110 K C -0.386 176.251 176.600 0.061 0.000 1.030 110 K CA 2.240 58.561 56.287 0.058 0.000 1.026 110 K CB 0.048 32.571 32.500 0.038 0.000 0.809 110 K HN -0.232 8.050 8.250 0.052 0.000 0.504 111 N N -4.150 114.586 118.700 0.061 0.000 2.280 111 N HA 0.003 4.931 4.740 0.073 -0.144 0.192 111 N C -1.547 173.989 175.510 0.043 0.000 1.109 111 N CA -0.445 52.642 53.050 0.061 0.000 0.855 111 N CB 0.443 38.968 38.487 0.062 0.000 0.974 111 N HN 0.056 8.412 8.380 0.058 0.059 0.482 112 I N 0.365 120.972 120.570 0.062 0.000 2.410 112 I HA 0.723 5.130 4.170 0.022 -0.224 0.286 112 I C -1.760 174.437 176.117 0.133 0.000 1.009 112 I CA -0.729 60.610 61.300 0.064 0.000 1.111 112 I CB 1.694 39.712 38.000 0.030 0.000 1.262 112 I HN -0.980 7.215 8.210 0.081 0.063 0.443 113 L N 7.514 128.802 121.223 0.108 0.000 2.334 113 L HA 0.895 5.528 4.340 0.204 -0.170 0.276 113 L C -1.105 175.908 176.870 0.239 0.000 1.014 113 L CA -1.465 53.486 54.840 0.186 0.000 0.815 113 L CB 2.796 44.969 42.059 0.190 0.000 1.268 113 L HN 0.591 8.843 8.230 0.036 0.000 0.428 114 V N -2.567 117.512 119.914 0.275 0.000 2.823 114 V HA 1.097 5.581 4.120 0.260 -0.209 0.312 114 V C -1.925 174.311 176.094 0.236 0.000 1.072 114 V CA -2.642 59.804 62.300 0.244 0.000 0.937 114 V CB 3.597 35.511 31.823 0.152 0.000 1.013 114 V HN 0.865 9.208 8.190 0.255 0.000 0.430 115 I N 2.641 123.333 120.570 0.203 0.000 2.827 115 I HA 0.469 4.609 4.170 -0.050 0.000 0.298 115 I C -1.861 174.242 176.117 -0.024 0.000 1.235 115 I CA -1.816 59.512 61.300 0.047 0.000 1.021 115 I CB 3.346 41.378 38.000 0.053 0.000 1.259 115 I HN 0.213 8.552 8.210 0.215 0.000 0.427 116 G N 4.975 113.695 108.800 -0.134 0.000 2.440 116 G HA2 -0.170 3.779 3.960 -0.154 0.000 0.684 116 G HA3 -0.170 3.823 3.960 -0.072 -0.077 0.684 116 G C -2.930 171.826 174.900 -0.240 0.000 1.309 116 G CA -0.977 44.040 45.100 -0.139 0.000 0.931 116 G HN 0.278 8.451 8.290 -0.195 0.000 0.612 117 P HA 0.210 4.766 4.420 -0.045 -0.163 0.276 117 P C -1.392 175.843 177.300 -0.109 0.000 1.235 117 P CA -0.555 62.461 63.100 -0.140 0.000 0.772 117 P CB 0.601 32.252 31.700 -0.082 0.000 0.871 118 V N -0.586 119.302 119.914 -0.044 0.000 2.914 118 V HA 0.574 4.678 4.120 -0.027 0.000 0.314 118 V C -2.653 173.510 176.094 0.114 0.000 1.084 118 V CA -4.323 57.973 62.300 -0.008 0.000 0.963 118 V CB 2.769 34.510 31.823 -0.137 0.000 1.025 118 V HN 0.781 8.965 8.190 -0.011 0.000 0.432 119 P HA -0.036 4.573 4.420 0.109 -0.124 0.267 119 P C 0.724 178.134 177.300 0.184 0.000 1.209 119 P CA -0.096 63.095 63.100 0.151 0.000 0.763 119 P CB 0.071 31.845 31.700 0.122 0.000 0.816 120 G N 2.370 111.263 108.800 0.154 0.000 2.422 120 G HA2 -0.383 3.719 3.960 0.236 0.000 0.218 120 G HA3 -0.383 3.721 3.960 0.240 0.000 0.218 120 G C 0.500 175.548 174.900 0.247 0.000 1.146 120 G CA 1.417 46.659 45.100 0.236 0.000 0.769 120 G HN 0.225 8.582 8.290 0.112 0.000 0.547 121 Q N -2.089 117.812 119.800 0.168 0.000 2.181 121 Q HA -0.229 4.148 4.340 0.062 0.000 0.205 121 Q C 1.871 177.839 176.000 -0.054 0.000 0.980 121 Q CA 2.412 58.250 55.803 0.059 0.000 0.862 121 Q CB -0.211 28.547 28.738 0.033 0.000 0.905 121 Q HN 0.318 8.684 8.270 0.161 0.000 0.429 122 K N -2.993 117.326 120.400 -0.134 0.000 2.244 122 K HA 0.068 4.167 4.320 -0.368 0.000 0.200 122 K C 1.141 177.348 176.600 -0.656 0.000 1.052 122 K CA 0.810 56.819 56.287 -0.463 0.000 0.980 122 K CB 2.052 34.139 32.500 -0.687 0.000 0.838 122 K HN -0.594 7.602 8.250 -0.049 0.024 0.481 123 Y N -1.416 118.909 120.300 0.042 0.000 2.602 123 Y HA 0.298 4.863 4.550 0.024 0.000 0.373 123 Y C 0.309 176.257 175.900 0.080 0.000 0.960 123 Y CA -1.286 56.836 58.100 0.037 0.000 1.281 123 Y CB -0.753 37.708 38.460 0.002 0.000 1.308 123 Y HN -0.247 8.049 8.280 0.027 0.000 0.595 124 S N -0.595 115.204 115.700 0.165 0.000 2.406 124 S HA -0.106 4.521 4.470 0.261 0.000 0.228 124 S C -0.635 174.061 174.600 0.160 0.000 1.020 124 S CA 2.703 61.019 58.200 0.192 0.000 0.965 124 S CB 0.980 64.256 63.200 0.126 0.000 0.798 124 S HN 0.070 8.425 8.310 0.076 0.000 0.488 125 E N -1.402 118.879 120.200 0.136 0.000 2.176 125 E HA 0.852 5.526 4.350 0.146 -0.236 0.267 125 E C -1.248 175.454 176.600 0.169 0.000 0.893 125 E CA -2.100 54.382 56.400 0.136 0.000 0.761 125 E CB 2.291 32.046 29.700 0.092 0.000 1.133 125 E HN -0.499 7.914 8.360 0.115 0.015 0.409 126 I N 4.951 125.632 120.570 0.184 0.000 2.530 126 I HA 0.313 4.559 4.170 0.127 0.000 0.297 126 I C -1.079 175.088 176.117 0.085 0.000 1.011 126 I CA -1.041 60.326 61.300 0.111 0.000 1.107 126 I CB 3.689 41.710 38.000 0.035 0.000 1.285 126 I HN 0.698 9.036 8.210 0.213 0.000 0.436 127 T N 7.470 122.017 114.554 -0.012 0.000 2.772 127 T HA 0.235 4.790 4.350 0.131 -0.127 0.288 127 T C -1.059 173.525 174.700 -0.194 0.000 0.994 127 T CA -0.460 61.648 62.100 0.014 0.000 0.951 127 T CB 0.477 69.368 68.868 0.040 0.000 0.933 127 T HN 0.331 8.566 8.240 -0.008 0.000 0.447 128 F N 6.533 126.388 119.950 -0.158 0.000 2.391 128 F HA 0.287 4.227 4.527 -0.978 0.000 0.359 128 F C -1.760 173.768 175.800 -0.454 0.000 1.122 128 F CA -2.749 54.948 58.000 -0.505 0.000 1.120 128 F CB 1.201 39.967 39.000 -0.392 0.000 1.142 128 F HN 0.193 8.707 8.300 0.357 0.000 0.483 129 P HA 0.296 4.676 4.420 -0.275 -0.125 0.284 129 P C -1.481 175.591 177.300 -0.381 0.000 1.343 129 P CA -0.514 62.398 63.100 -0.314 0.000 0.826 129 P CB -0.561 31.006 31.700 -0.221 0.000 0.956 130 I N 4.988 125.198 120.570 -0.600 0.000 2.460 130 I HA 0.493 4.597 4.170 -0.345 -0.141 0.298 130 I C -1.432 174.358 176.117 -0.545 0.000 0.989 130 I CA -2.932 57.988 61.300 -0.633 0.000 1.173 130 I CB 2.343 39.777 38.000 -0.944 0.000 1.338 130 I HN 0.635 8.385 8.210 -0.766 0.000 0.456 131 L N 5.781 126.876 121.223 -0.213 0.000 2.272 131 L HA 0.379 4.804 4.340 -0.071 -0.127 0.289 131 L C -1.903 174.927 176.870 -0.067 0.000 1.032 131 L CA -1.692 53.089 54.840 -0.098 0.000 0.810 131 L CB 2.905 44.907 42.059 -0.095 0.000 1.205 131 L HN 0.448 8.588 8.230 -0.149 0.000 0.422 132 A N 7.690 130.528 122.820 0.029 0.000 2.440 132 A HA 0.365 4.127 4.320 -0.930 0.000 0.251 132 A C -2.860 174.448 177.584 -0.460 0.000 1.089 132 A CA -2.407 49.433 52.037 -0.329 0.000 0.779 132 A CB -0.640 18.355 19.000 -0.008 0.000 1.022 132 A HN 0.510 8.753 8.150 0.156 0.000 0.492 133 P HA -0.026 4.194 4.420 -0.333 0.000 0.275 133 P C -1.774 175.344 177.300 -0.303 0.000 1.266 133 P CA -0.571 62.251 63.100 -0.464 0.000 0.793 133 P CB 1.393 32.777 31.700 -0.526 0.000 1.074 134 D N -2.849 117.417 120.400 -0.225 0.000 2.593 134 D HA 0.364 4.916 4.640 -0.147 0.000 0.251 134 D C -0.402 175.772 176.300 -0.210 0.000 1.140 134 D CA -3.780 50.120 54.000 -0.166 0.000 0.855 134 D CB 3.169 43.914 40.800 -0.092 0.000 1.267 134 D HN 0.086 8.327 8.370 -0.215 0.000 0.532 135 P HA 0.037 4.496 4.420 -0.324 -0.234 0.221 135 P C 0.538 177.732 177.300 -0.177 0.000 1.150 135 P CA 1.469 64.370 63.100 -0.333 0.000 0.800 135 P CB 0.674 32.005 31.700 -0.615 0.000 0.787 136 A N -1.617 121.139 122.820 -0.106 0.000 2.119 136 A HA -0.073 4.231 4.320 -0.026 0.000 0.217 136 A C 0.685 178.240 177.584 -0.047 0.000 1.153 136 A CA 2.443 54.456 52.037 -0.039 0.000 0.692 136 A CB -0.403 18.600 19.000 0.006 0.000 0.799 136 A HN -0.186 8.055 8.150 -0.103 -0.152 0.458 137 T N -2.633 111.878 114.554 -0.072 0.000 3.182 137 T HA 0.164 4.486 4.350 -0.047 0.000 0.277 137 T C -1.197 173.453 174.700 -0.084 0.000 1.013 137 T CA -0.247 61.815 62.100 -0.064 0.000 0.900 137 T CB 0.629 69.462 68.868 -0.058 0.000 1.098 137 T HN -0.560 7.550 8.240 -0.095 0.073 0.543 138 N N 1.179 119.812 118.700 -0.111 0.000 2.655 138 N HA 0.159 4.841 4.740 -0.097 0.000 0.277 138 N C -0.805 174.613 175.510 -0.155 0.000 1.177 138 N CA 0.251 53.224 53.050 -0.128 0.000 0.882 138 N CB 2.683 41.075 38.487 -0.159 0.000 1.481 138 N HN -0.705 7.424 8.380 -0.119 0.180 0.547 139 K N 3.798 124.133 120.400 -0.109 0.000 2.439 139 K HA -0.118 4.151 4.320 -0.086 0.000 0.197 139 K C 0.095 176.600 176.600 -0.157 0.000 1.041 139 K CA 1.738 57.971 56.287 -0.091 0.000 0.970 139 K CB -0.030 32.456 32.500 -0.023 0.000 0.773 139 K HN 0.406 8.609 8.250 -0.079 0.000 0.479 140 D N -3.358 116.923 120.400 -0.199 0.000 2.360 140 D HA 0.111 4.675 4.640 -0.126 0.000 0.210 140 D C -1.128 174.893 176.300 -0.465 0.000 1.047 140 D CA 0.483 54.352 54.000 -0.218 0.000 0.854 140 D CB 1.553 42.317 40.800 -0.060 0.000 0.936 140 D HN -0.544 7.854 8.370 -0.161 -0.125 0.514 141 V N 0.149 119.760 119.914 -0.506 0.000 2.439 141 V HA -0.033 3.948 4.120 -0.231 0.000 0.282 141 V C -0.884 174.836 176.094 -0.623 0.000 1.039 141 V CA -0.756 61.294 62.300 -0.416 0.000 0.913 141 V CB 0.092 31.736 31.823 -0.298 0.000 0.983 141 V HN -0.821 7.073 8.190 -0.407 0.052 0.460 142 H N 6.901 126.007 119.070 0.061 0.000 2.855 142 H HA 0.370 4.789 4.556 -0.229 0.000 0.363 142 H C -0.639 174.687 175.328 -0.003 0.000 1.185 142 H CA -1.836 54.181 56.048 -0.052 0.000 1.174 142 H CB 4.350 34.137 29.762 0.041 0.000 1.857 142 H HN 0.328 8.719 8.280 0.185 0.000 0.565 143 F N 0.921 121.031 119.950 0.267 0.000 2.494 143 F HA 0.035 4.788 4.527 0.218 -0.095 0.351 143 F C -0.639 175.244 175.800 0.138 0.000 1.205 143 F CA 0.677 58.790 58.000 0.187 0.000 1.125 143 F CB -1.424 37.641 39.000 0.108 0.000 1.268 143 F HN 0.264 8.627 8.300 0.106 0.000 0.593 144 L N 2.489 123.889 121.223 0.294 0.000 2.510 144 L HA 0.385 4.733 4.340 0.013 0.000 0.252 144 L C -1.729 175.073 176.870 -0.114 0.000 1.091 144 L CA -1.641 53.185 54.840 -0.023 0.000 0.888 144 L CB 5.048 46.926 42.059 -0.303 0.000 1.507 144 L HN -0.312 8.201 8.230 0.471 0.000 0.407 145 K N -0.032 120.230 120.400 -0.229 0.000 2.248 145 K HA 0.296 4.772 4.320 -0.043 -0.182 0.281 145 K C -0.658 175.741 176.600 -0.335 0.000 1.054 145 K CA 0.432 56.619 56.287 -0.166 0.000 0.903 145 K CB 0.523 32.956 32.500 -0.112 0.000 1.077 145 K HN 0.076 8.186 8.250 -0.234 0.000 0.474 146 Y N 4.935 125.189 120.300 -0.076 0.000 2.409 146 Y HA 0.320 4.827 4.550 -0.071 0.000 0.339 146 Y C -2.194 173.583 175.900 -0.204 0.000 1.033 146 Y CA -2.309 55.717 58.100 -0.125 0.000 1.094 146 Y CB 1.878 40.226 38.460 -0.188 0.000 1.210 146 Y HN 0.869 9.094 8.280 0.093 0.111 0.456 147 P HA 0.516 4.897 4.420 -0.306 -0.144 0.284 147 P C -1.403 175.632 177.300 -0.442 0.000 1.253 147 P CA -0.709 62.219 63.100 -0.287 0.000 0.800 147 P CB 0.884 32.458 31.700 -0.211 0.000 0.961 148 I N 2.192 122.392 120.570 -0.618 0.000 2.466 148 I HA 0.212 4.310 4.170 -0.366 -0.148 0.289 148 I C -1.356 174.376 176.117 -0.640 0.000 1.026 148 I CA -0.751 60.257 61.300 -0.487 0.000 1.078 148 I CB 3.419 41.242 38.000 -0.295 0.000 1.249 148 I HN 0.679 8.518 8.210 -0.618 0.000 0.429 149 Y N 6.065 126.317 120.300 -0.080 0.000 2.409 149 Y HA 0.624 5.283 4.550 -0.058 -0.143 0.339 149 Y C -1.481 174.370 175.900 -0.082 0.000 1.033 149 Y CA -1.586 56.474 58.100 -0.066 0.000 1.094 149 Y CB 2.935 41.366 38.460 -0.049 0.000 1.210 149 Y HN 0.385 8.607 8.280 -0.096 0.000 0.456 150 V N 1.555 121.512 119.914 0.071 0.000 2.789 150 V HA 0.964 5.264 4.120 -0.027 -0.197 0.311 150 V C -2.052 174.056 176.094 0.024 0.000 1.073 150 V CA -3.054 59.243 62.300 -0.006 0.000 0.921 150 V CB 4.641 36.419 31.823 -0.075 0.000 1.009 150 V HN 0.353 8.603 8.190 0.099 0.000 0.426 151 G N 4.876 113.716 108.800 0.066 0.000 2.557 151 G HA2 0.574 4.601 3.960 -0.127 0.000 0.310 151 G HA3 0.574 4.836 3.960 0.503 0.000 0.310 151 G C -2.423 172.518 174.900 0.069 0.000 1.328 151 G CA -1.014 44.172 45.100 0.144 0.000 0.945 151 G HN 0.178 8.502 8.290 0.056 0.000 0.494 152 G N 2.564 111.199 108.800 -0.276 0.000 2.470 152 G HA2 0.646 4.778 3.960 0.050 0.000 0.320 152 G HA3 0.646 4.541 3.960 -0.109 0.000 0.320 152 G C -3.019 171.821 174.900 -0.101 0.000 1.245 152 G CA -1.558 43.482 45.100 -0.099 0.000 0.935 152 G HN 0.678 8.536 8.290 -0.720 0.000 0.476 153 N N 4.020 122.753 118.700 0.055 0.000 2.225 153 N HA 0.761 5.705 4.740 0.052 -0.173 0.298 153 N C -2.283 173.197 175.510 -0.049 0.000 1.076 153 N CA -1.030 52.037 53.050 0.028 0.000 0.792 153 N CB 4.213 42.644 38.487 -0.094 0.000 1.498 153 N HN 0.490 8.909 8.380 0.066 0.000 0.474 154 R N 3.217 123.674 120.500 -0.072 0.000 2.538 154 R HA 0.974 5.474 4.340 -0.130 -0.237 0.292 154 R C -1.321 174.914 176.300 -0.109 0.000 1.008 154 R CA -2.266 53.746 56.100 -0.147 0.000 0.896 154 R CB 2.838 32.960 30.300 -0.296 0.000 1.187 154 R HN -0.090 8.157 8.270 -0.038 0.000 0.440 155 G N 4.583 113.333 108.800 -0.082 0.000 2.619 155 G HA2 -0.335 3.801 3.960 -0.027 0.000 0.686 155 G HA3 -0.335 3.626 3.960 0.003 0.000 0.686 155 G C -1.545 173.408 174.900 0.087 0.000 1.256 155 G CA -0.559 44.537 45.100 -0.007 0.000 0.826 155 G HN -0.021 8.216 8.290 -0.089 0.000 0.619 156 R N 0.517 121.069 120.500 0.086 0.000 2.490 156 R HA 0.127 4.518 4.340 0.086 0.000 0.280 156 R C 0.641 177.007 176.300 0.109 0.000 1.077 156 R CA -0.467 55.687 56.100 0.090 0.000 1.065 156 R CB 0.683 31.013 30.300 0.050 0.000 1.003 156 R HN 0.017 8.570 8.270 0.061 -0.247 0.470 157 G N 0.886 109.684 108.800 -0.004 0.000 2.653 157 G HA2 0.020 3.799 3.960 -0.302 0.000 0.265 157 G HA3 0.020 3.526 3.960 -0.757 0.000 0.265 157 G C -0.867 173.984 174.900 -0.081 0.000 1.237 157 G CA -0.340 44.558 45.100 -0.336 0.000 0.946 157 G HN 0.070 8.361 8.290 0.002 0.000 0.522 158 Q N -1.601 118.144 119.800 -0.092 0.000 2.394 158 Q HA 0.241 4.590 4.340 0.016 0.000 0.218 158 Q C 0.184 176.189 176.000 0.010 0.000 0.907 158 Q CA 1.435 57.229 55.803 -0.016 0.000 0.919 158 Q CB 2.360 31.075 28.738 -0.038 0.000 1.051 158 Q HN 0.039 8.199 8.270 -0.184 0.000 0.538 159 I N -1.450 119.135 120.570 0.025 0.000 2.530 159 I HA 0.277 4.611 4.170 0.015 -0.156 0.297 159 I C -0.680 175.599 176.117 0.271 0.000 1.011 159 I CA -0.951 60.395 61.300 0.076 0.000 1.107 159 I CB 2.916 40.924 38.000 0.013 0.000 1.285 159 I HN -0.952 7.234 8.210 -0.041 0.000 0.436 160 Y N 5.495 125.755 120.300 -0.067 0.000 2.392 160 Y HA 0.257 4.750 4.550 -0.095 0.000 0.323 160 Y C 0.119 175.971 175.900 -0.080 0.000 1.291 160 Y CA -2.740 55.304 58.100 -0.093 0.000 1.345 160 Y CB -0.802 37.590 38.460 -0.114 0.000 1.320 160 Y HN 0.606 8.997 8.280 0.184 0.000 0.518 161 P HA -0.106 4.341 4.420 0.044 0.000 0.228 161 P C -1.167 176.132 177.300 -0.001 0.000 1.151 161 P CA 1.583 64.677 63.100 -0.010 0.000 0.770 161 P CB -0.200 31.433 31.700 -0.113 0.000 0.786 162 D N -5.059 115.352 120.400 0.020 0.000 2.349 162 D HA -0.093 4.540 4.640 -0.012 0.000 0.214 162 D C 0.881 177.182 176.300 0.001 0.000 1.063 162 D CA -0.347 53.654 54.000 0.002 0.000 0.847 162 D CB 0.027 40.828 40.800 0.001 0.000 0.933 162 D HN -0.368 7.979 8.370 0.062 0.060 0.513 163 G N 0.018 108.826 108.800 0.013 0.000 2.195 163 G HA2 -0.342 3.619 3.960 0.002 0.000 0.224 163 G HA3 -0.342 3.609 3.960 -0.015 0.000 0.224 163 G C -0.439 174.432 174.900 -0.048 0.000 0.990 163 G CA -0.222 44.873 45.100 -0.009 0.000 0.639 163 G HN -0.291 7.853 8.290 0.042 0.171 0.514 164 S N 1.624 117.280 115.700 -0.073 0.000 2.564 164 S HA -0.055 4.332 4.470 -0.138 0.000 0.278 164 S C -0.355 174.070 174.600 -0.291 0.000 1.333 164 S CA 1.065 59.158 58.200 -0.178 0.000 1.048 164 S CB 0.890 63.953 63.200 -0.227 0.000 0.900 164 S HN -0.606 7.777 8.310 -0.033 -0.092 0.505 165 K N 3.226 123.458 120.400 -0.281 0.000 2.154 165 K HA 0.379 4.720 4.320 -0.232 -0.160 0.264 165 K C 0.189 176.551 176.600 -0.397 0.000 1.008 165 K CA -0.287 55.824 56.287 -0.294 0.000 0.937 165 K CB 1.549 33.857 32.500 -0.320 0.000 1.002 165 K HN 0.191 8.309 8.250 -0.219 0.000 0.469 166 S N 1.975 117.510 115.700 -0.274 0.000 2.738 166 S HA 0.105 4.350 4.470 -0.374 0.000 0.284 166 S C 0.320 174.954 174.600 0.055 0.000 1.146 166 S CA -0.795 57.314 58.200 -0.151 0.000 0.997 166 S CB 2.277 65.599 63.200 0.204 0.000 1.081 166 S HN 0.552 8.767 8.310 -0.159 0.000 0.553 167 N N -2.340 116.433 118.700 0.123 0.000 2.362 167 N HA -0.062 4.886 4.740 0.346 0.000 0.204 167 N C -0.548 175.055 175.510 0.154 0.000 1.166 167 N CA 0.259 53.421 53.050 0.187 0.000 0.831 167 N CB -0.463 38.088 38.487 0.108 0.000 1.008 167 N HN 0.410 8.860 8.380 0.118 0.000 0.472 168 N N -0.088 118.683 118.700 0.119 0.000 2.538 168 N HA 0.123 4.920 4.740 0.095 0.000 0.291 168 N C -1.467 174.082 175.510 0.065 0.000 1.323 168 N CA -0.106 52.999 53.050 0.092 0.000 0.934 168 N CB 0.767 39.305 38.487 0.085 0.000 1.255 168 N HN -0.137 8.202 8.380 0.109 0.107 0.509 169 T N -2.538 112.053 114.554 0.062 0.000 2.787 169 T HA 0.150 4.507 4.350 0.012 0.000 0.297 169 T C -1.719 172.989 174.700 0.013 0.000 1.221 169 T CA -2.174 59.925 62.100 -0.002 0.000 1.006 169 T CB 2.467 71.282 68.868 -0.089 0.000 1.328 169 T HN -0.755 7.478 8.240 0.117 0.077 0.509 170 V N 2.093 121.989 119.914 -0.029 0.000 2.614 170 V HA -0.244 3.928 4.120 0.086 0.000 0.291 170 V C -1.504 174.543 176.094 -0.077 0.000 1.049 170 V CA 0.459 62.765 62.300 0.009 0.000 1.038 170 V CB 0.549 32.372 31.823 -0.000 0.000 0.980 170 V HN 0.073 8.234 8.190 -0.047 0.000 0.481 171 Y N 6.486 126.789 120.300 0.005 0.000 2.353 171 Y HA 0.073 4.619 4.550 -0.005 0.000 0.340 171 Y C -1.413 174.487 175.900 -0.000 0.000 0.972 171 Y CA -0.385 57.716 58.100 0.002 0.000 1.157 171 Y CB 1.214 39.681 38.460 0.011 0.000 1.157 171 Y HN 0.077 8.505 8.280 0.246 0.000 0.495 172 N N 4.583 123.314 118.700 0.052 0.000 2.492 172 N HA 0.256 5.165 4.740 0.046 -0.142 0.289 172 N C -1.285 174.261 175.510 0.059 0.000 1.133 172 N CA -0.973 52.101 53.050 0.040 0.000 0.961 172 N CB 2.606 41.089 38.487 -0.006 0.000 1.186 172 N HN 0.221 8.573 8.380 -0.046 0.000 0.493 173 A N 0.319 123.164 122.820 0.043 0.000 2.488 173 A HA 0.112 4.462 4.320 0.050 0.000 0.249 173 A C 0.666 178.266 177.584 0.027 0.000 1.083 173 A CA 0.205 52.264 52.037 0.038 0.000 0.768 173 A CB 0.344 19.358 19.000 0.024 0.000 1.017 173 A HN 0.302 8.472 8.150 0.033 0.000 0.496 174 T N -0.424 114.148 114.554 0.030 0.000 3.148 174 T HA -0.160 4.199 4.350 0.014 0.000 0.253 174 T C -0.501 174.207 174.700 0.013 0.000 1.134 174 T CA 1.070 63.182 62.100 0.019 0.000 1.051 174 T CB 0.052 68.934 68.868 0.023 0.000 0.959 174 T HN -0.010 8.635 8.240 0.038 -0.383 0.525 175 A N 0.250 123.078 122.820 0.013 0.000 2.574 175 A HA 0.118 4.442 4.320 0.006 0.000 0.297 175 A C -2.025 175.563 177.584 0.007 0.000 1.062 175 A CA -0.940 51.102 52.037 0.008 0.000 0.686 175 A CB 2.935 21.940 19.000 0.008 0.000 1.285 175 A HN -0.937 7.154 8.150 0.016 0.069 0.403 176 G N -1.817 106.986 108.800 0.005 0.000 2.547 176 G HA2 0.609 4.689 3.960 0.004 0.000 0.291 176 G HA3 0.609 4.570 3.960 0.003 0.000 0.291 176 G C -1.475 173.427 174.900 0.003 0.000 1.211 176 G CA -1.543 43.560 45.100 0.004 0.000 0.950 176 G HN 0.109 8.473 8.290 0.004 -0.072 0.504 177 G N -1.545 107.256 108.800 0.002 0.000 2.260 177 G HA2 -0.130 3.831 3.960 0.001 0.000 0.250 177 G HA3 -0.130 3.941 3.960 0.002 -0.109 0.250 177 G C -2.966 171.934 174.900 0.000 0.000 1.340 177 G CA -0.145 44.956 45.100 0.001 0.000 1.056 177 G HN 0.238 8.530 8.290 0.002 0.000 0.471 178 I N 0.627 121.196 120.570 -0.000 0.000 2.509 178 I HA 0.695 5.049 4.170 -0.003 -0.185 0.293 178 I C -1.581 174.535 176.117 -0.002 0.000 1.020 178 I CA -2.763 58.536 61.300 -0.002 0.000 1.088 178 I CB 3.561 41.560 38.000 -0.002 0.000 1.267 178 I HN -0.450 7.760 8.210 0.000 0.000 0.430 179 I N 8.253 128.820 120.570 -0.005 0.000 2.494 179 I HA 0.091 4.420 4.170 -0.003 -0.162 0.289 179 I C 0.267 176.381 176.117 -0.005 0.000 1.106 179 I CA 0.642 61.939 61.300 -0.006 0.000 1.369 179 I CB -0.778 37.215 38.000 -0.012 0.000 1.410 179 I HN 0.385 8.591 8.210 -0.006 0.000 0.523 180 S N 9.231 124.929 115.700 -0.002 0.000 2.503 180 S HA 0.103 4.572 4.470 -0.002 0.000 0.217 180 S C -0.144 174.456 174.600 -0.001 0.000 0.999 180 S CA 1.278 59.477 58.200 -0.001 0.000 0.914 180 S CB 0.782 63.982 63.200 0.000 0.000 0.782 180 S HN 0.596 8.905 8.310 -0.001 0.000 0.520 181 K N 0.161 120.561 120.400 -0.000 0.000 2.572 181 K HA 0.261 4.581 4.320 0.001 0.000 0.263 181 K C -2.505 174.098 176.600 0.005 0.000 0.932 181 K CA 0.160 56.449 56.287 0.003 0.000 0.838 181 K CB 3.852 36.356 32.500 0.006 0.000 1.366 181 K HN -0.870 7.347 8.250 -0.000 0.032 0.425 182 I N 3.660 124.235 120.570 0.007 0.000 2.493 182 I HA 0.230 4.557 4.170 0.021 -0.144 0.279 182 I C -1.508 174.639 176.117 0.049 0.000 1.045 182 I CA -0.813 60.496 61.300 0.015 0.000 1.106 182 I CB 1.621 39.607 38.000 -0.025 0.000 1.216 182 I HN 0.089 8.520 8.210 0.007 -0.217 0.459 183 L N 8.520 129.783 121.223 0.068 0.000 2.295 183 L HA 0.306 4.681 4.340 0.057 0.000 0.288 183 L C -1.232 175.716 176.870 0.130 0.000 1.079 183 L CA -0.883 54.000 54.840 0.071 0.000 0.830 183 L CB 0.972 43.054 42.059 0.039 0.000 1.200 183 L HN 0.693 8.958 8.230 0.060 0.000 0.438 184 R N 6.983 127.575 120.500 0.153 0.000 2.351 184 R HA -0.042 4.531 4.340 0.388 0.000 0.318 184 R C -0.163 176.144 176.300 0.012 0.000 1.055 184 R CA 0.495 56.711 56.100 0.194 0.000 0.968 184 R CB -0.231 30.196 30.300 0.211 0.000 0.974 184 R HN 0.182 8.519 8.270 0.112 0.000 0.439 185 K N 5.377 125.711 120.400 -0.110 0.000 2.202 185 K HA -0.069 4.215 4.320 -0.060 0.000 0.264 185 K C 1.631 178.170 176.600 -0.102 0.000 1.010 185 K CA 0.040 56.261 56.287 -0.110 0.000 0.940 185 K CB 0.679 33.088 32.500 -0.152 0.000 0.983 185 K HN -0.055 8.059 8.250 -0.226 0.000 0.475 186 E N 3.000 123.159 120.200 -0.067 0.000 2.033 186 E HA -0.290 4.037 4.350 -0.038 0.000 0.199 186 E C 1.013 177.576 176.600 -0.063 0.000 1.011 186 E CA 2.741 59.110 56.400 -0.051 0.000 0.815 186 E CB 0.085 29.763 29.700 -0.037 0.000 0.755 186 E HN 0.465 8.791 8.360 -0.057 0.000 0.451 187 K N -0.672 119.684 120.400 -0.073 0.000 2.520 187 K HA 0.103 4.390 4.320 -0.056 0.000 0.205 187 K C -1.320 175.217 176.600 -0.105 0.000 1.035 187 K CA -0.840 55.404 56.287 -0.071 0.000 1.188 187 K CB -0.120 32.346 32.500 -0.057 0.000 0.894 187 K HN -0.190 8.015 8.250 -0.074 0.000 0.497 188 G N -1.079 107.625 108.800 -0.159 0.000 2.587 188 G HA2 -0.100 3.685 3.960 -0.291 0.000 0.686 188 G HA3 -0.100 3.748 3.960 -0.187 0.000 0.686 188 G C -1.252 173.428 174.900 -0.366 0.000 1.236 188 G CA -0.485 44.466 45.100 -0.249 0.000 0.820 188 G HN -0.646 7.360 8.290 -0.154 0.192 0.645 189 G N 0.733 109.153 108.800 -0.634 0.000 2.663 189 G HA2 -0.267 3.498 3.960 -0.548 0.000 0.686 189 G HA3 -0.267 3.458 3.960 -0.372 0.013 0.686 189 G C -2.167 172.163 174.900 -0.950 0.000 1.288 189 G CA -0.366 44.352 45.100 -0.637 0.000 0.836 189 G HN -0.200 7.632 8.290 -0.762 0.000 0.584 190 Y N -2.723 117.525 120.300 -0.086 0.000 2.588 190 Y HA 0.560 5.241 4.550 -0.050 -0.161 0.343 190 Y C -1.516 174.344 175.900 -0.068 0.000 1.065 190 Y CA -1.540 56.520 58.100 -0.066 0.000 1.038 190 Y CB 4.701 43.124 38.460 -0.060 0.000 1.297 190 Y HN 0.544 8.611 8.280 -0.168 0.113 0.467 191 E N 1.272 121.546 120.200 0.123 0.000 2.207 191 E HA 0.450 4.819 4.350 0.031 0.000 0.250 191 E C -1.729 174.902 176.600 0.052 0.000 0.890 191 E CA -0.885 55.546 56.400 0.052 0.000 0.749 191 E CB 2.604 32.318 29.700 0.024 0.000 1.193 191 E HN 0.153 8.614 8.360 0.168 0.000 0.423 192 I N 7.244 127.836 120.570 0.038 0.000 2.321 192 I HA 0.388 4.732 4.170 0.019 -0.163 0.291 192 I C -0.891 175.234 176.117 0.015 0.000 0.998 192 I CA -0.983 60.329 61.300 0.021 0.000 1.227 192 I CB 1.760 39.767 38.000 0.011 0.000 1.368 192 I HN 0.762 8.993 8.210 0.034 0.000 0.466 193 T N 10.099 124.659 114.554 0.010 0.000 2.744 193 T HA 0.411 4.926 4.350 0.009 -0.159 0.291 193 T C -0.720 173.983 174.700 0.005 0.000 0.957 193 T CA 0.066 62.171 62.100 0.008 0.000 1.002 193 T CB 0.535 69.407 68.868 0.007 0.000 0.919 193 T HN 0.648 8.894 8.240 0.010 0.000 0.468 194 I N 8.252 128.826 120.570 0.006 0.000 2.354 194 I HA 0.196 4.506 4.170 0.003 -0.139 0.292 194 I C -1.504 174.616 176.117 0.004 0.000 0.989 194 I CA -0.821 60.482 61.300 0.005 0.000 1.188 194 I CB 2.284 40.288 38.000 0.007 0.000 1.342 194 I HN 1.097 9.311 8.210 0.008 0.000 0.457 195 V N 8.151 128.066 119.914 0.002 0.000 2.304 195 V HA 0.086 4.313 4.120 0.003 -0.105 0.262 195 V C -1.096 174.999 176.094 0.002 0.000 1.061 195 V CA -0.442 61.859 62.300 0.002 0.000 0.872 195 V CB -0.271 31.553 31.823 0.001 0.000 1.077 195 V HN 0.557 8.748 8.190 0.002 0.000 0.480 196 D N 8.369 128.771 120.400 0.002 0.000 2.441 196 D HA -0.072 4.699 4.640 0.002 -0.130 0.243 196 D C 0.345 176.645 176.300 0.001 0.000 1.257 196 D CA -0.147 53.855 54.000 0.002 0.000 1.027 196 D CB 0.317 41.118 40.800 0.003 0.000 1.084 196 D HN 0.277 8.649 8.370 0.003 0.000 0.514 197 A N 6.488 129.309 122.820 0.001 0.000 2.024 197 A HA -0.198 4.123 4.320 0.001 0.000 0.220 197 A C 1.134 178.718 177.584 0.001 0.000 1.164 197 A CA 2.519 54.556 52.037 0.001 0.000 0.643 197 A CB -0.312 18.688 19.000 0.000 0.000 0.806 197 A HN 0.175 8.309 8.150 0.001 0.016 0.451 198 S N -2.251 113.449 115.700 0.001 0.000 2.387 198 S HA -0.173 4.297 4.470 0.000 0.000 0.226 198 S C 1.293 175.893 174.600 0.001 0.000 1.026 198 S CA 2.323 60.524 58.200 0.001 0.000 0.972 198 S CB 0.376 63.577 63.200 0.001 0.000 0.814 198 S HN 0.043 8.326 8.310 0.001 0.028 0.477 199 N N -1.754 116.946 118.700 0.001 0.000 2.205 199 N HA 0.133 4.873 4.740 0.001 0.000 0.201 199 N C -1.318 174.193 175.510 0.001 0.000 1.128 199 N CA 0.195 53.245 53.050 0.001 0.000 0.867 199 N CB 0.993 39.481 38.487 0.001 0.000 0.996 199 N HN -0.652 7.848 8.380 0.001 -0.119 0.503 200 E N -2.854 117.346 120.200 0.001 0.000 2.297 200 E HA -0.453 3.897 4.350 0.001 0.000 0.228 200 E C -1.746 174.854 176.600 0.001 0.000 1.213 200 E CA 1.216 57.617 56.400 0.001 0.000 0.712 200 E CB -1.697 28.003 29.700 0.001 0.000 1.202 200 E HN -0.160 8.023 8.360 0.001 0.178 0.376 201 R N -1.199 119.302 120.500 0.002 0.000 2.686 201 R HA 0.296 4.637 4.340 0.002 0.000 0.283 201 R C -2.097 174.204 176.300 0.003 0.000 0.978 201 R CA -0.863 55.238 56.100 0.002 0.000 0.897 201 R CB 3.669 33.970 30.300 0.002 0.000 1.192 201 R HN -0.582 7.689 8.270 0.002 -0.000 0.457 202 Q N 4.905 124.707 119.800 0.003 0.000 2.322 202 Q HA 0.681 5.205 4.340 0.004 -0.182 0.265 202 Q C -1.042 174.961 176.000 0.005 0.000 0.985 202 Q CA -1.155 54.650 55.803 0.003 0.000 0.849 202 Q CB 2.358 31.098 28.738 0.003 0.000 1.274 202 Q HN 0.261 8.532 8.270 0.002 0.000 0.449 203 V N 1.935 121.853 119.914 0.006 0.000 2.823 203 V HA 0.515 4.639 4.120 0.007 0.000 0.312 203 V C -1.958 174.142 176.094 0.010 0.000 1.072 203 V CA -2.638 59.667 62.300 0.008 0.000 0.937 203 V CB 2.962 34.791 31.823 0.010 0.000 1.013 203 V HN 0.771 8.965 8.190 0.006 0.000 0.430 204 I N 3.986 124.562 120.570 0.011 0.000 2.382 204 I HA 0.541 4.951 4.170 0.013 -0.232 0.285 204 I C -0.939 175.188 176.117 0.017 0.000 1.007 204 I CA -1.108 60.200 61.300 0.012 0.000 1.142 204 I CB 1.870 39.875 38.000 0.008 0.000 1.289 204 I HN 0.291 8.507 8.210 0.010 0.000 0.453 205 D N 8.906 129.320 120.400 0.023 0.000 2.249 205 D HA 0.251 4.915 4.640 0.040 0.000 0.246 205 D C -1.120 175.189 176.300 0.016 0.000 1.114 205 D CA 0.253 54.274 54.000 0.034 0.000 0.854 205 D CB 1.980 42.811 40.800 0.051 0.000 1.132 205 D HN 0.373 8.755 8.370 0.021 0.000 0.461 206 I N 3.454 124.022 120.570 -0.003 0.000 2.353 206 I HA 0.367 4.685 4.170 -0.029 -0.165 0.293 206 I C -0.059 175.953 176.117 -0.175 0.000 0.992 206 I CA -0.539 60.730 61.300 -0.053 0.000 1.268 206 I CB 1.405 39.374 38.000 -0.051 0.000 1.387 206 I HN 0.330 8.550 8.210 0.016 0.000 0.478 207 I N 7.833 128.295 120.570 -0.181 0.000 2.404 207 I HA 0.523 4.192 4.170 -0.835 0.000 0.293 207 I C -2.294 173.643 176.117 -0.299 0.000 0.992 207 I CA -2.995 58.084 61.300 -0.368 0.000 1.149 207 I CB 2.904 40.856 38.000 -0.081 0.000 1.315 207 I HN 0.660 8.723 8.210 -0.067 0.107 0.446 208 P HA 0.208 4.507 4.420 -0.202 0.000 0.276 208 P C -1.323 175.881 177.300 -0.160 0.000 1.261 208 P CA -0.767 62.194 63.100 -0.231 0.000 0.800 208 P CB 0.891 32.484 31.700 -0.178 0.000 1.066 209 R N -1.467 118.952 120.500 -0.135 0.000 2.679 209 R HA -0.087 4.155 4.340 -0.164 0.000 0.269 209 R C 1.521 177.804 176.300 -0.028 0.000 1.076 209 R CA 0.819 56.852 56.100 -0.113 0.000 1.160 209 R CB 0.098 30.332 30.300 -0.111 0.000 1.054 209 R HN -0.018 8.177 8.270 -0.125 0.000 0.507 210 G N -0.903 107.899 108.800 0.003 0.000 2.194 210 G HA2 -0.322 3.729 3.960 0.037 0.000 0.236 210 G HA3 -0.322 3.660 3.960 0.037 0.000 0.236 210 G C -1.089 173.852 174.900 0.069 0.000 0.987 210 G CA 0.050 45.173 45.100 0.038 0.000 0.635 210 G HN 0.395 8.681 8.290 -0.007 0.000 0.520 211 L N 0.808 122.086 121.223 0.092 0.000 2.346 211 L HA 0.240 4.641 4.340 0.101 0.000 0.274 211 L C -1.481 175.491 176.870 0.170 0.000 1.007 211 L CA -0.998 53.913 54.840 0.120 0.000 0.818 211 L CB 2.485 44.614 42.059 0.117 0.000 1.284 211 L HN -0.713 7.486 8.230 0.079 0.079 0.424 212 E N 1.070 121.333 120.200 0.105 0.000 2.191 212 E HA 0.250 4.660 4.350 0.099 0.000 0.274 212 E C -1.075 175.507 176.600 -0.031 0.000 0.948 212 E CA -1.797 54.636 56.400 0.055 0.000 0.802 212 E CB 1.552 31.275 29.700 0.039 0.000 1.137 212 E HN 0.008 8.418 8.360 0.083 0.000 0.397 213 L N 1.941 123.062 121.223 -0.172 0.000 2.436 213 L HA 0.080 4.497 4.340 -0.126 -0.152 0.265 213 L C 0.507 177.314 176.870 -0.105 0.000 1.168 213 L CA 0.438 55.165 54.840 -0.189 0.000 0.815 213 L CB 0.764 42.602 42.059 -0.369 0.000 1.109 213 L HN 0.498 8.565 8.230 -0.272 0.000 0.462 214 L N 0.866 122.048 121.223 -0.069 0.000 2.766 214 L HA 0.254 4.570 4.340 -0.039 0.000 0.242 214 L C -0.515 176.328 176.870 -0.044 0.000 1.136 214 L CA -0.151 54.664 54.840 -0.041 0.000 0.933 214 L CB 0.617 42.667 42.059 -0.016 0.000 1.241 214 L HN 0.340 8.429 8.230 -0.064 0.103 0.522 215 V N -6.544 113.332 119.914 -0.064 0.000 2.960 215 V HA 0.366 4.464 4.120 -0.038 0.000 0.315 215 V C -1.520 174.535 176.094 -0.065 0.000 1.087 215 V CA -1.967 60.301 62.300 -0.052 0.000 0.982 215 V CB 2.608 34.405 31.823 -0.043 0.000 1.039 215 V HN -0.799 7.276 8.190 -0.090 0.061 0.437 216 S N 1.082 116.754 115.700 -0.046 0.000 2.638 216 S HA 0.199 4.635 4.470 -0.057 0.000 0.302 216 S C -1.450 173.131 174.600 -0.033 0.000 1.096 216 S CA -1.633 56.541 58.200 -0.044 0.000 0.953 216 S CB 2.615 65.796 63.200 -0.032 0.000 1.107 216 S HN -0.009 8.280 8.310 -0.035 0.000 0.503 217 E N 1.108 121.291 120.200 -0.028 0.000 2.384 217 E HA -0.485 3.854 4.350 -0.019 0.000 0.266 217 E C 1.010 177.602 176.600 -0.014 0.000 1.012 217 E CA 1.782 58.171 56.400 -0.019 0.000 0.901 217 E CB 0.047 29.738 29.700 -0.014 0.000 0.967 217 E HN 0.332 8.674 8.360 -0.030 0.000 0.435 218 G N 5.285 114.079 108.800 -0.011 0.000 2.176 218 G HA2 -0.516 3.440 3.960 -0.006 0.000 0.253 218 G HA3 -0.516 3.439 3.960 -0.008 0.000 0.253 218 G C -0.866 174.029 174.900 -0.008 0.000 0.979 218 G CA -0.169 44.926 45.100 -0.008 0.000 0.641 218 G HN 0.931 9.102 8.290 -0.010 0.114 0.530 219 E N 0.884 121.078 120.200 -0.011 0.000 2.313 219 E HA 0.145 4.490 4.350 -0.008 0.000 0.272 219 E C -0.858 175.738 176.600 -0.007 0.000 1.038 219 E CA -1.057 55.337 56.400 -0.010 0.000 0.863 219 E CB 1.955 31.647 29.700 -0.014 0.000 1.060 219 E HN -0.610 7.678 8.360 -0.013 0.065 0.402 220 S N 3.995 119.691 115.700 -0.005 0.000 2.465 220 S HA 0.431 5.077 4.470 -0.003 -0.178 0.279 220 S C -0.829 173.770 174.600 -0.003 0.000 1.201 220 S CA 0.128 58.326 58.200 -0.003 0.000 1.053 220 S CB 0.712 63.910 63.200 -0.002 0.000 0.953 220 S HN 0.375 8.681 8.310 -0.005 0.000 0.488 221 I N 6.955 127.525 120.570 -0.002 0.000 2.562 221 I HA 0.257 4.555 4.170 -0.000 -0.128 0.301 221 I C -2.180 173.938 176.117 0.002 0.000 1.003 221 I CA -2.145 59.155 61.300 0.000 0.000 1.127 221 I CB 4.264 42.265 38.000 0.001 0.000 1.304 221 I HN 0.818 8.919 8.210 -0.001 0.108 0.446 222 K N 5.375 125.776 120.400 0.003 0.000 2.106 222 K HA 0.262 4.583 4.320 0.002 0.000 0.246 222 K C -1.214 175.389 176.600 0.004 0.000 0.987 222 K CA -1.855 54.434 56.287 0.003 0.000 0.904 222 K CB 1.438 33.939 32.500 0.002 0.000 1.071 222 K HN 0.025 8.574 8.250 0.003 -0.297 0.453 223 L N 1.349 122.574 121.223 0.003 0.000 2.490 223 L HA -0.391 3.952 4.340 0.006 0.000 0.274 223 L C -0.079 176.793 176.870 0.003 0.000 1.201 223 L CA 2.254 57.096 54.840 0.004 0.000 0.869 223 L CB 0.075 42.135 42.059 0.002 0.000 1.123 223 L HN 0.031 8.263 8.230 0.003 0.000 0.484 224 D N 0.871 121.274 120.400 0.004 0.000 3.079 224 D HA -0.415 4.274 4.640 0.000 -0.048 0.214 224 D C -1.004 175.298 176.300 0.004 0.000 1.145 224 D CA 2.053 56.054 54.000 0.001 0.000 0.958 224 D CB -0.549 40.248 40.800 -0.004 0.000 1.117 224 D HN 0.571 8.850 8.370 0.007 0.095 0.416 225 Q N -0.796 119.009 119.800 0.007 0.000 2.313 225 Q HA 0.216 4.559 4.340 0.006 0.000 0.266 225 Q C -2.056 173.953 176.000 0.015 0.000 0.989 225 Q CA -0.690 55.118 55.803 0.008 0.000 0.890 225 Q CB 1.168 29.910 28.738 0.007 0.000 1.200 225 Q HN -0.603 7.616 8.270 0.008 0.057 0.396 226 P HA -0.012 4.568 4.420 0.032 -0.140 0.265 226 P C -1.184 176.133 177.300 0.028 0.000 1.222 226 P CA 0.818 63.933 63.100 0.025 0.000 0.767 226 P CB 0.204 31.916 31.700 0.020 0.000 0.801 227 L N 3.055 124.305 121.223 0.046 0.000 2.529 227 L HA 0.059 4.404 4.340 0.008 0.000 0.223 227 L C 0.201 177.084 176.870 0.021 0.000 1.113 227 L CA 0.385 55.242 54.840 0.028 0.000 0.861 227 L CB 0.365 42.449 42.059 0.041 0.000 1.012 227 L HN 0.517 8.788 8.230 0.069 0.000 0.461 228 T N -6.197 108.389 114.554 0.055 0.000 2.864 228 T HA 0.487 4.969 4.350 0.013 -0.124 0.289 228 T C -0.740 173.992 174.700 0.053 0.000 1.082 228 T CA -2.400 59.731 62.100 0.052 0.000 1.009 228 T CB 2.598 71.529 68.868 0.105 0.000 1.234 228 T HN -0.737 7.505 8.240 0.075 0.042 0.526 229 S N 0.171 115.900 115.700 0.048 0.000 2.614 229 S HA -0.032 4.459 4.470 0.035 0.000 0.265 229 S C -1.115 173.520 174.600 0.058 0.000 1.303 229 S CA 0.607 58.834 58.200 0.044 0.000 1.000 229 S CB 0.713 63.937 63.200 0.039 0.000 0.935 229 S HN 0.002 8.340 8.310 0.046 0.000 0.551 230 N N 1.313 120.042 118.700 0.048 0.000 2.415 230 N HA 0.121 4.895 4.740 0.056 0.000 0.246 230 N C -1.034 174.508 175.510 0.055 0.000 1.078 230 N CA -2.357 50.723 53.050 0.050 0.000 0.942 230 N CB 0.033 38.542 38.487 0.038 0.000 1.140 230 N HN 0.228 8.632 8.380 0.040 0.000 0.501 231 P HA 0.051 4.508 4.420 0.061 0.000 0.255 231 P C -1.649 175.688 177.300 0.062 0.000 1.301 231 P CA -0.398 62.741 63.100 0.066 0.000 0.817 231 P CB 0.256 32.003 31.700 0.078 0.000 1.259 232 N N 0.397 119.132 118.700 0.058 0.000 2.408 232 N HA -0.030 4.922 4.740 0.061 -0.176 0.257 232 N C 0.597 176.142 175.510 0.058 0.000 1.064 232 N CA -0.114 52.971 53.050 0.059 0.000 0.952 232 N CB 1.048 39.569 38.487 0.058 0.000 1.093 232 N HN -0.569 8.014 8.380 0.055 -0.170 0.490 233 V N 0.918 120.866 119.914 0.057 0.000 3.528 233 V HA 0.288 4.446 4.120 0.062 0.000 0.294 233 V C -1.040 175.086 176.094 0.054 0.000 1.404 233 V CA -1.625 60.711 62.300 0.060 0.000 1.065 233 V CB 0.178 32.039 31.823 0.064 0.000 0.904 233 V HN -0.038 8.185 8.190 0.055 0.000 0.435 234 G N -0.711 108.117 108.800 0.045 0.000 2.702 234 G HA2 0.232 4.188 3.960 -0.007 0.000 0.254 234 G HA3 0.232 4.362 3.960 0.018 -0.159 0.254 234 G C -1.773 173.168 174.900 0.067 0.000 1.380 234 G CA -1.066 44.050 45.100 0.027 0.000 1.042 234 G HN -0.648 7.620 8.290 0.055 0.055 0.557 235 G N -3.470 105.379 108.800 0.081 0.000 2.340 235 G HA2 0.269 4.390 3.960 0.164 0.000 0.298 235 G HA3 0.269 4.273 3.960 0.096 0.014 0.298 235 G C -3.295 171.693 174.900 0.147 0.000 1.498 235 G CA 0.510 45.685 45.100 0.124 0.000 0.847 235 G HN -0.295 8.028 8.290 0.055 0.000 0.594 236 F N 1.253 121.222 119.950 0.031 0.000 2.522 236 F HA 1.014 5.699 4.527 -0.037 -0.181 0.324 236 F C -1.481 174.328 175.800 0.015 0.000 1.077 236 F CA -2.981 55.020 58.000 0.001 0.000 0.944 236 F CB 4.258 43.272 39.000 0.022 0.000 1.175 236 F HN 0.931 9.293 8.300 0.281 0.107 0.468 237 G N 3.917 112.090 108.800 -1.044 0.000 2.690 237 G HA2 0.479 4.207 3.960 -0.387 0.000 0.293 237 G HA3 0.479 4.418 3.960 -0.383 -0.209 0.293 237 G C -3.759 170.602 174.900 -0.898 0.000 1.399 237 G CA -0.712 43.985 45.100 -0.671 0.000 0.890 237 G HN 0.442 7.846 8.290 -1.476 0.000 0.485 238 Q N -1.583 117.974 119.800 -0.405 0.000 2.421 238 Q HA 1.022 5.355 4.340 -0.277 -0.159 0.280 238 Q C -1.858 174.093 176.000 -0.082 0.000 1.085 238 Q CA -2.128 53.545 55.803 -0.217 0.000 0.807 238 Q CB 3.900 32.625 28.738 -0.021 0.000 1.405 238 Q HN 0.185 8.310 8.270 -0.242 0.000 0.419 239 G N 0.658 109.438 108.800 -0.033 0.000 2.725 239 G HA2 0.409 4.371 3.960 0.003 0.000 0.288 239 G HA3 0.409 4.351 3.960 -0.030 0.000 0.288 239 G C -3.137 171.778 174.900 0.024 0.000 1.399 239 G CA -0.686 44.410 45.100 -0.008 0.000 0.859 239 G HN 0.200 8.473 8.290 -0.028 0.000 0.479 240 D N -2.998 117.395 120.400 -0.012 0.000 2.661 240 D HA 0.924 5.657 4.640 -0.168 -0.193 0.228 240 D C -2.121 174.090 176.300 -0.148 0.000 1.183 240 D CA -1.609 52.324 54.000 -0.112 0.000 0.844 240 D CB 3.831 44.587 40.800 -0.074 0.000 1.555 240 D HN -0.166 8.194 8.370 -0.017 0.000 0.453 241 A N 0.100 122.782 122.820 -0.229 0.000 2.532 241 A HA 0.419 4.666 4.320 -0.122 0.000 0.290 241 A C -2.439 175.023 177.584 -0.204 0.000 1.143 241 A CA -1.054 50.882 52.037 -0.168 0.000 0.728 241 A CB 3.683 22.604 19.000 -0.132 0.000 1.317 241 A HN 0.515 8.349 8.150 -0.348 0.107 0.414 242 E N 0.368 120.480 120.200 -0.146 0.000 2.224 242 E HA 0.732 5.180 4.350 -0.161 -0.194 0.265 242 E C -1.971 174.560 176.600 -0.115 0.000 0.878 242 E CA -1.507 54.813 56.400 -0.134 0.000 0.759 242 E CB 3.074 32.714 29.700 -0.100 0.000 1.164 242 E HN 0.152 8.443 8.360 -0.116 0.000 0.414 243 I N 4.918 125.419 120.570 -0.114 0.000 2.530 243 I HA 0.301 4.400 4.170 -0.118 0.000 0.297 243 I C -2.620 173.491 176.117 -0.009 0.000 1.011 243 I CA -2.293 58.939 61.300 -0.113 0.000 1.107 243 I CB 4.335 42.193 38.000 -0.237 0.000 1.285 243 I HN 0.840 8.985 8.210 -0.109 0.000 0.436 244 V N 8.252 128.167 119.914 0.001 0.000 2.318 244 V HA 0.260 4.598 4.120 0.098 -0.160 0.271 244 V C -1.116 175.069 176.094 0.151 0.000 1.030 244 V CA -1.431 60.913 62.300 0.073 0.000 0.844 244 V CB -0.282 31.556 31.823 0.026 0.000 1.015 244 V HN 0.127 8.292 8.190 -0.043 0.000 0.460 245 L N 9.149 130.560 121.223 0.313 0.000 2.565 245 L HA -0.029 4.600 4.340 0.297 -0.111 0.275 245 L C -1.753 175.373 176.870 0.425 0.000 1.137 245 L CA 0.197 55.272 54.840 0.392 0.000 0.915 245 L CB -0.182 42.177 42.059 0.501 0.000 1.232 245 L HN 0.227 8.694 8.230 0.395 0.000 0.473 246 Q N 6.729 126.672 119.800 0.239 0.000 2.235 246 Q HA 0.084 4.413 4.340 -0.018 0.000 0.250 246 Q C -1.484 174.290 176.000 -0.376 0.000 0.909 246 Q CA -1.087 54.714 55.803 -0.003 0.000 0.910 246 Q CB 2.793 31.508 28.738 -0.040 0.000 1.223 246 Q HN 0.544 8.923 8.270 0.182 0.000 0.432 247 D N 5.162 124.993 120.400 -0.948 0.000 2.351 247 D HA 0.092 3.289 4.640 -2.404 0.000 0.251 247 D C -0.433 175.561 176.300 -0.509 0.000 1.137 247 D CA -2.616 50.535 54.000 -1.416 0.000 0.879 247 D CB 1.560 41.692 40.800 -1.113 0.000 1.181 247 D HN 0.312 8.305 8.370 -0.629 0.000 0.448 248 P HA 0.025 4.381 4.420 -0.106 0.000 0.239 248 P C -0.901 176.332 177.300 -0.113 0.000 1.184 248 P CA 0.867 63.890 63.100 -0.128 0.000 0.760 248 P CB 0.341 32.015 31.700 -0.043 0.000 0.884 249 L N -1.968 119.164 121.223 -0.152 0.000 2.695 249 L HA 0.095 4.393 4.340 -0.071 0.000 0.211 249 L C -0.064 176.739 176.870 -0.111 0.000 1.839 249 L CA -1.262 53.518 54.840 -0.101 0.000 2.948 249 L CB 1.329 43.341 42.059 -0.078 0.000 2.799 249 L HN -0.202 8.074 8.230 -0.236 -0.187 0.731 250 R N 0.000 120.444 120.500 -0.094 0.000 2.786 250 R HA 0.000 4.277 4.340 -0.106 0.000 0.208 250 R CA 0.000 56.051 56.100 -0.082 0.000 0.921 250 R CB 0.000 30.263 30.300 -0.062 0.000 0.687 250 R HN 0.000 8.222 8.270 -0.079 0.000 0.535