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 1tvc_1_A DATA FIRST_RESID 2 DATA SEQUENCE CRISFGEVGS FEAEVVGLNW VSSNTVQFLL QKRPDECGNR GVKFEPGQFM DATA SEQUENCE DLTIPGTDVS RSYSPANLPN PEGRLEFLIR VLPEGRFSDY LRNDARVGQV DATA SEQUENCE LSVKGPLGVF GLKERGMAPR YFVAGGTGLA PVVSMVRQMQ EWTAPNETRI DATA SEQUENCE YFGVNTEPEL FYIDELKSLE RSMRNLTVKA CVWHPSGDWE GEQGSPIDAL DATA SEQUENCE REDLESSDAN PDIYLCGPPG MIDAACELVR SRGIPGEQVF FEKFLPSGAA 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 2 C HA 0.000 4.440 4.460 -0.033 0.000 0.325 2 C C 0.000 174.972 174.990 -0.031 0.000 1.270 2 C CA 0.000 58.998 59.018 -0.033 0.000 1.963 2 C CB 0.000 27.712 27.740 -0.047 0.000 2.134 3 R N 1.349 121.828 120.500 -0.035 0.000 2.747 3 R HA 0.260 4.590 4.340 -0.016 0.000 0.278 3 R C -0.188 176.091 176.300 -0.035 0.000 1.153 3 R CA -0.357 55.726 56.100 -0.028 0.000 1.206 3 R CB 0.659 30.942 30.300 -0.028 0.000 1.161 3 R HN 0.046 8.292 8.270 -0.039 0.000 0.589 4 I N 0.808 121.369 120.570 -0.016 0.000 2.588 4 I HA -0.080 4.087 4.170 -0.005 0.000 0.283 4 I C -0.212 175.885 176.117 -0.033 0.000 1.119 4 I CA 0.909 62.205 61.300 -0.005 0.000 1.419 4 I CB 0.345 38.364 38.000 0.031 0.000 1.394 4 I HN 0.170 8.376 8.210 -0.007 0.000 0.562 5 S N 6.461 122.114 115.700 -0.077 0.000 2.599 5 S HA 0.165 4.611 4.470 -0.041 0.000 0.269 5 S C -1.003 173.460 174.600 -0.227 0.000 1.135 5 S CA -0.003 58.123 58.200 -0.124 0.000 1.027 5 S CB 1.098 64.193 63.200 -0.175 0.000 1.129 5 S HN 0.147 8.406 8.310 -0.085 0.000 0.458 6 F N 4.169 124.118 119.950 -0.001 0.000 3.181 6 F HA 0.460 4.987 4.527 -0.000 0.000 0.418 6 F C -0.551 175.249 175.800 0.001 0.000 1.117 6 F CA 0.202 58.202 58.000 0.000 0.000 1.255 6 F CB 2.111 41.112 39.000 0.001 0.000 2.615 6 F HN 0.629 8.996 8.300 0.112 0.000 0.640 7 G N 1.698 110.611 108.800 0.188 0.000 2.602 7 G HA2 -0.189 3.832 3.960 0.101 0.000 0.291 7 G HA3 -0.189 3.837 3.960 0.109 0.000 0.291 7 G C -1.320 173.620 174.900 0.066 0.000 0.988 7 G CA -0.655 44.513 45.100 0.113 0.000 1.295 7 G HN -0.168 8.205 8.290 0.140 0.000 0.630 8 E N 2.730 122.958 120.200 0.046 0.000 2.580 8 E HA 0.222 4.589 4.350 0.028 0.000 0.248 8 E C -1.334 175.280 176.600 0.022 0.000 1.018 8 E CA 0.038 56.454 56.400 0.028 0.000 0.775 8 E CB 1.472 31.181 29.700 0.015 0.000 1.378 8 E HN 0.083 8.471 8.360 0.047 0.000 0.401 9 V N 1.897 121.823 119.914 0.020 0.000 2.325 9 V HA 0.107 4.237 4.120 0.017 0.000 0.280 9 V C -0.235 175.866 176.094 0.011 0.000 1.016 9 V CA -0.269 62.040 62.300 0.016 0.000 0.818 9 V CB -0.220 31.611 31.823 0.014 0.000 1.019 9 V HN 0.148 8.350 8.190 0.020 0.000 0.434 10 G N 5.813 114.622 108.800 0.016 0.000 2.145 10 G HA2 -0.134 3.835 3.960 0.015 0.000 0.145 10 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.145 10 G C -1.534 173.385 174.900 0.032 0.000 1.017 10 G CA -0.229 44.880 45.100 0.014 0.000 0.682 10 G HN 0.398 8.701 8.290 0.022 0.000 0.504 11 S N -1.782 113.948 115.700 0.049 0.000 2.578 11 S HA 0.556 5.210 4.470 0.085 -0.133 0.301 11 S C -1.421 173.261 174.600 0.136 0.000 1.091 11 S CA -1.322 56.922 58.200 0.074 0.000 1.032 11 S CB 2.670 65.889 63.200 0.033 0.000 1.064 11 S HN -0.761 7.573 8.310 0.039 0.000 0.508 12 F N 1.266 121.202 119.950 -0.023 0.000 2.620 12 F HA 0.319 4.833 4.527 -0.022 0.000 0.320 12 F C -2.554 173.229 175.800 -0.028 0.000 1.069 12 F CA -1.854 56.132 58.000 -0.024 0.000 0.953 12 F CB 4.089 43.074 39.000 -0.024 0.000 1.322 12 F HN 0.701 9.009 8.300 0.215 0.122 0.479 13 E N 1.482 121.021 120.200 -1.101 0.000 2.158 13 E HA 0.303 4.193 4.350 -0.766 0.000 0.271 13 E C -2.173 173.525 176.600 -1.504 0.000 0.911 13 E CA -1.592 54.204 56.400 -1.008 0.000 0.767 13 E CB 2.765 32.210 29.700 -0.426 0.000 1.120 13 E HN 0.120 8.096 8.360 -0.641 0.000 0.405 14 A N 2.974 125.215 122.820 -0.964 0.000 2.371 14 A HA 0.412 4.657 4.320 -0.323 -0.119 0.311 14 A C -2.242 175.192 177.584 -0.249 0.000 1.068 14 A CA -1.729 50.022 52.037 -0.476 0.000 0.744 14 A CB 3.428 22.313 19.000 -0.191 0.000 1.239 14 A HN 0.430 8.043 8.150 -0.698 0.118 0.435 15 E N 4.756 124.871 120.200 -0.140 0.000 2.167 15 E HA 0.119 4.407 4.350 -0.103 0.000 0.284 15 E C 0.347 176.898 176.600 -0.082 0.000 1.016 15 E CA -2.578 53.765 56.400 -0.095 0.000 0.817 15 E CB 0.887 30.556 29.700 -0.053 0.000 1.080 15 E HN 0.390 8.667 8.360 -0.089 0.030 0.397 16 V N 6.111 125.994 119.914 -0.052 0.000 2.390 16 V HA -0.092 3.981 4.120 -0.079 0.000 0.260 16 V C -1.671 174.493 176.094 0.116 0.000 1.043 16 V CA 0.714 63.044 62.300 0.050 0.000 1.047 16 V CB -1.639 30.321 31.823 0.229 0.000 1.066 16 V HN -0.005 8.158 8.190 -0.046 0.000 0.481 17 V N 6.650 126.634 119.914 0.117 0.000 3.371 17 V HA 0.296 4.463 4.120 0.079 0.000 0.246 17 V C -0.527 175.637 176.094 0.117 0.000 1.303 17 V CA -0.578 61.776 62.300 0.091 0.000 1.156 17 V CB 1.504 33.353 31.823 0.042 0.000 0.929 17 V HN -0.508 7.737 8.190 0.091 0.000 0.459 18 G N 0.852 109.754 108.800 0.170 0.000 3.086 18 G HA2 0.025 4.031 3.960 0.077 0.000 0.159 18 G HA3 0.025 4.062 3.960 0.128 0.000 0.159 18 G C -1.388 173.583 174.900 0.118 0.000 1.654 18 G CA -0.950 44.233 45.100 0.139 0.000 1.078 18 G HN -0.615 7.783 8.290 0.180 0.000 0.558 19 L N 0.440 121.678 121.223 0.026 0.000 2.612 19 L HA -0.206 3.883 4.340 -0.561 -0.086 0.719 19 L C -2.703 174.014 176.870 -0.254 0.000 1.250 19 L CA -0.078 54.514 54.840 -0.413 0.000 1.367 19 L CB -1.333 40.203 42.059 -0.872 0.000 2.110 19 L HN 0.008 8.290 8.230 0.087 0.000 0.940 20 N N -1.779 116.814 118.700 -0.179 0.000 2.417 20 N HA 0.285 5.093 4.740 0.114 0.000 0.300 20 N C -1.263 174.199 175.510 -0.080 0.000 1.102 20 N CA -1.318 51.719 53.050 -0.022 0.000 0.886 20 N CB 2.100 40.601 38.487 0.023 0.000 1.203 20 N HN -0.524 7.743 8.380 -0.188 0.000 0.496 21 W N 0.739 121.999 121.300 -0.066 0.000 2.387 21 W HA 0.150 4.889 4.660 -0.047 -0.107 0.310 21 W C 0.266 176.748 176.519 -0.062 0.000 1.181 21 W CA -0.577 56.735 57.345 -0.055 0.000 1.333 21 W CB -0.212 29.219 29.460 -0.048 0.000 1.286 21 W HN 0.386 8.902 8.180 0.560 0.000 0.455 22 V N 3.903 123.860 119.914 0.071 0.000 3.125 22 V HA 0.218 4.334 4.120 -0.007 0.000 0.249 22 V C -0.455 175.546 176.094 -0.156 0.000 1.113 22 V CA -0.069 62.212 62.300 -0.032 0.000 1.106 22 V CB 1.293 33.104 31.823 -0.020 0.000 0.768 22 V HN -0.132 8.071 8.190 0.022 0.000 0.468 23 S N -0.825 114.841 115.700 -0.056 0.000 2.697 23 S HA 0.224 4.602 4.470 -0.154 0.000 0.289 23 S C -0.178 174.476 174.600 0.089 0.000 1.149 23 S CA -1.089 57.067 58.200 -0.072 0.000 0.850 23 S CB 2.661 65.799 63.200 -0.104 0.000 1.151 23 S HN -0.624 7.706 8.310 0.033 0.000 0.491 24 S N 4.297 120.039 115.700 0.070 0.000 2.359 24 S HA -0.282 4.252 4.470 0.107 0.000 0.222 24 S C -0.003 174.716 174.600 0.199 0.000 1.038 24 S CA 2.984 61.252 58.200 0.114 0.000 1.051 24 S CB 0.061 63.304 63.200 0.071 0.000 0.944 24 S HN 0.657 8.981 8.310 0.023 0.000 0.433 25 N N -2.381 116.415 118.700 0.161 0.000 2.535 25 N HA 0.324 5.297 4.740 0.240 -0.089 0.294 25 N C -1.867 173.725 175.510 0.137 0.000 1.408 25 N CA -1.389 51.766 53.050 0.175 0.000 0.927 25 N CB 0.384 38.953 38.487 0.137 0.000 1.276 25 N HN 0.130 8.583 8.380 0.122 0.000 0.505 26 T N -0.310 114.315 114.554 0.119 0.000 2.956 26 T HA 0.559 5.162 4.350 0.082 -0.204 0.312 26 T C -1.974 172.712 174.700 -0.024 0.000 1.151 26 T CA -0.714 61.428 62.100 0.071 0.000 1.024 26 T CB 3.228 72.156 68.868 0.099 0.000 1.140 26 T HN -0.555 7.625 8.240 0.162 0.157 0.473 27 V N 2.790 122.655 119.914 -0.081 0.000 2.971 27 V HA 0.533 4.623 4.120 -0.228 -0.106 0.309 27 V C -2.967 173.024 176.094 -0.172 0.000 1.130 27 V CA -2.455 59.698 62.300 -0.244 0.000 0.964 27 V CB 3.571 35.032 31.823 -0.603 0.000 1.029 27 V HN 0.165 8.364 8.190 0.016 0.000 0.427 28 Q N 7.031 126.694 119.800 -0.229 0.000 2.425 28 Q HA 0.688 5.162 4.340 -0.278 -0.301 0.254 28 Q C -1.497 174.284 176.000 -0.364 0.000 1.032 28 Q CA -2.050 53.602 55.803 -0.253 0.000 0.798 28 Q CB 1.760 30.437 28.738 -0.102 0.000 1.210 28 Q HN 0.395 8.532 8.270 -0.222 0.000 0.491 29 F N 8.144 127.478 119.950 -1.027 0.000 2.411 29 F HA 0.333 4.604 4.527 -0.568 -0.085 0.350 29 F C -2.355 173.080 175.800 -0.608 0.000 1.114 29 F CA -2.670 54.758 58.000 -0.954 0.000 1.135 29 F CB 1.722 39.758 39.000 -1.606 0.000 1.120 29 F HN -0.034 7.492 8.300 -1.290 0.000 0.495 30 L N 7.195 128.412 121.223 -0.009 0.000 2.298 30 L HA 0.830 5.389 4.340 -0.165 -0.317 0.284 30 L C -1.261 175.500 176.870 -0.182 0.000 1.013 30 L CA -1.769 53.002 54.840 -0.115 0.000 0.824 30 L CB 0.931 42.967 42.059 -0.037 0.000 1.221 30 L HN 0.414 8.896 8.230 0.289 -0.079 0.418 31 L N 3.054 124.144 121.223 -0.221 0.000 2.362 31 L HA 0.574 4.991 4.340 -0.191 -0.191 0.275 31 L C -1.085 175.801 176.870 0.027 0.000 0.998 31 L CA -1.021 53.711 54.840 -0.180 0.000 0.820 31 L CB 2.243 44.126 42.059 -0.294 0.000 1.270 31 L HN -0.225 7.898 8.230 -0.179 0.000 0.415 32 Q N 2.432 122.252 119.800 0.035 0.000 2.374 32 Q HA 0.531 5.275 4.340 0.259 -0.248 0.250 32 Q C -1.166 174.871 176.000 0.062 0.000 0.918 32 Q CA -0.696 55.175 55.803 0.113 0.000 0.778 32 Q CB 1.953 30.724 28.738 0.055 0.000 1.328 32 Q HN -0.038 8.249 8.270 -0.024 -0.031 0.445 33 K N 3.238 123.685 120.400 0.077 0.000 2.608 33 K HA 0.070 4.384 4.320 -0.009 0.000 0.209 33 K C -1.873 174.723 176.600 -0.006 0.000 1.369 33 K CA -0.068 56.198 56.287 -0.034 0.000 1.029 33 K CB 2.352 34.759 32.500 -0.156 0.000 1.139 33 K HN 0.192 8.588 8.250 0.244 0.000 0.623 34 R N -3.874 116.740 120.500 0.190 0.000 2.741 34 R HA 0.268 4.679 4.340 0.117 0.000 0.276 34 R C -3.367 173.165 176.300 0.387 0.000 1.028 34 R CA -2.381 53.852 56.100 0.222 0.000 0.865 34 R CB 2.711 33.063 30.300 0.087 0.000 1.268 34 R HN -0.782 7.757 8.270 0.448 0.000 0.475 35 P HA -0.064 4.449 4.420 0.056 -0.059 0.264 35 P C -1.579 175.758 177.300 0.061 0.000 1.236 35 P CA 1.233 64.398 63.100 0.108 0.000 0.811 35 P CB -0.304 31.437 31.700 0.069 0.000 0.840 36 D N 1.592 121.892 120.400 -0.167 0.000 3.877 36 D HA -0.048 4.434 4.640 -0.263 0.000 0.447 36 D C -2.089 173.768 176.300 -0.738 0.000 0.389 36 D CA 1.727 55.452 54.000 -0.459 0.000 0.865 36 D CB 1.404 41.869 40.800 -0.559 0.000 1.491 36 D HN -0.201 8.145 8.370 -0.138 -0.059 0.192 37 E N -1.362 118.291 120.200 -0.912 0.000 3.423 37 E HA 0.208 4.352 4.350 -0.343 0.000 0.289 37 E C -2.375 174.144 176.600 -0.135 0.000 1.111 37 E CA 0.377 56.425 56.400 -0.587 0.000 1.182 37 E CB 0.962 30.198 29.700 -0.773 0.000 1.283 37 E HN -0.588 7.320 8.360 -0.754 0.000 0.392 38 C N -0.744 118.542 119.300 -0.023 0.000 3.462 38 C HA 0.386 4.964 4.460 0.067 -0.077 0.355 38 C C -1.003 174.005 174.990 0.031 0.000 1.909 38 C CA 0.256 59.322 59.018 0.080 0.000 1.792 38 C CB 2.243 30.113 27.740 0.217 0.000 2.083 38 C HN 0.306 8.487 8.230 -0.082 0.000 0.552 39 G N -2.155 106.665 108.800 0.032 0.000 3.193 39 G HA2 0.287 4.223 3.960 0.001 0.000 0.183 39 G HA3 0.287 4.259 3.960 0.020 0.000 0.183 39 G C -1.447 173.458 174.900 0.007 0.000 1.254 39 G CA 0.900 46.008 45.100 0.014 0.000 0.898 39 G HN 0.008 8.331 8.290 0.055 0.000 0.816 40 N N -1.063 117.644 118.700 0.013 0.000 2.197 40 N HA 0.237 4.978 4.740 0.002 0.000 0.228 40 N C 0.152 175.653 175.510 -0.014 0.000 1.212 40 N CA 0.180 53.233 53.050 0.006 0.000 0.883 40 N CB 1.167 39.668 38.487 0.023 0.000 1.107 40 N HN -0.243 8.153 8.380 0.027 0.000 0.519 41 R N 0.326 120.800 120.500 -0.043 0.000 2.127 41 R HA 0.014 4.312 4.340 -0.071 0.000 0.217 41 R C 0.861 177.131 176.300 -0.051 0.000 1.074 41 R CA 0.357 56.411 56.100 -0.077 0.000 0.991 41 R CB 0.658 30.863 30.300 -0.157 0.000 0.895 41 R HN -0.946 7.237 8.270 -0.043 0.061 0.450 42 G N 2.111 110.886 108.800 -0.041 0.000 2.515 42 G HA2 -0.301 3.613 3.960 -0.026 0.000 0.208 42 G HA3 -0.301 3.648 3.960 -0.018 0.000 0.208 42 G C -0.331 174.554 174.900 -0.026 0.000 0.737 42 G CA 0.362 45.446 45.100 -0.027 0.000 0.987 42 G HN -0.624 7.641 8.290 -0.042 0.000 0.307 43 V N -1.334 118.560 119.914 -0.033 0.000 2.973 43 V HA 0.010 4.122 4.120 -0.012 0.000 0.314 43 V C -0.392 175.699 176.094 -0.005 0.000 1.066 43 V CA -1.835 60.449 62.300 -0.026 0.000 1.021 43 V CB 1.348 33.135 31.823 -0.059 0.000 1.076 43 V HN -0.259 7.932 8.190 -0.040 -0.025 0.462 44 K N 3.184 123.606 120.400 0.036 0.000 2.887 44 K HA 0.150 4.466 4.320 0.050 0.034 0.165 44 K C -1.793 174.956 176.600 0.249 0.000 1.121 44 K CA -0.442 55.901 56.287 0.094 0.000 1.128 44 K CB 1.732 34.291 32.500 0.100 0.000 0.763 44 K HN 0.242 8.645 8.250 0.050 -0.123 0.422 45 F N -2.802 117.176 119.950 0.046 0.000 2.174 45 F HA -0.333 4.197 4.527 0.005 0.000 0.496 45 F C -1.715 174.100 175.800 0.026 0.000 1.258 45 F CA -0.103 57.917 58.000 0.034 0.000 1.597 45 F CB -0.998 38.042 39.000 0.067 0.000 2.532 45 F HN -0.416 7.923 8.300 0.066 0.000 0.732 46 E N 3.391 123.737 120.200 0.243 0.000 2.243 46 E HA 0.347 4.753 4.350 0.093 0.000 0.260 46 E C -2.190 174.403 176.600 -0.013 0.000 0.985 46 E CA -2.866 53.590 56.400 0.094 0.000 0.858 46 E CB 2.273 32.018 29.700 0.074 0.000 1.210 46 E HN -0.038 8.478 8.360 0.261 0.000 0.411 47 P HA -0.075 4.158 4.420 -0.312 0.000 0.238 47 P C -1.067 176.170 177.300 -0.106 0.000 1.649 47 P CA 0.307 63.285 63.100 -0.205 0.000 0.960 47 P CB -1.561 29.984 31.700 -0.259 0.000 1.911 48 G N 0.550 109.329 108.800 -0.036 0.000 2.367 48 G HA2 -0.476 3.519 3.960 0.057 0.000 0.295 48 G HA3 -0.476 3.485 3.960 0.001 0.000 0.295 48 G C -0.944 174.006 174.900 0.084 0.000 1.019 48 G CA -0.110 45.005 45.100 0.026 0.000 1.224 48 G HN 0.429 8.622 8.290 -0.028 0.080 0.510 49 Q N -1.416 118.439 119.800 0.093 0.000 2.375 49 Q HA -0.358 4.049 4.340 0.112 0.000 0.344 49 Q C -0.601 175.534 176.000 0.225 0.000 1.169 49 Q CA 1.519 57.393 55.803 0.118 0.000 1.035 49 Q CB 0.442 29.219 28.738 0.065 0.000 1.222 49 Q HN -0.296 8.021 8.270 0.077 0.000 0.412 50 F N 4.135 124.107 119.950 0.037 0.000 2.615 50 F HA 0.210 4.777 4.527 0.068 0.000 0.312 50 F C -3.039 172.790 175.800 0.048 0.000 1.119 50 F CA -0.859 57.170 58.000 0.049 0.000 0.979 50 F CB 3.531 42.553 39.000 0.037 0.000 1.266 50 F HN 0.115 8.516 8.300 0.169 0.000 0.444 51 M N 0.662 120.068 119.600 -0.323 0.000 3.022 51 M HA 0.477 4.665 4.480 -0.646 -0.095 0.289 51 M C -2.298 173.781 176.300 -0.368 0.000 1.256 51 M CA -0.998 54.029 55.300 -0.454 0.000 0.750 51 M CB 4.655 37.192 32.600 -0.105 0.000 1.788 51 M HN -0.270 8.195 8.290 0.291 0.000 0.428 52 D N -0.151 120.164 120.400 -0.142 0.000 2.696 52 D HA 0.329 5.018 4.640 0.082 0.000 0.251 52 D C -1.822 174.508 176.300 0.051 0.000 1.188 52 D CA -0.484 53.512 54.000 -0.008 0.000 0.876 52 D CB 2.413 43.189 40.800 -0.039 0.000 1.334 52 D HN 0.093 8.319 8.370 -0.114 0.075 0.540 53 L N 2.057 123.337 121.223 0.095 0.000 2.540 53 L HA 0.586 4.971 4.340 0.076 0.000 0.256 53 L C -2.732 174.211 176.870 0.122 0.000 1.001 53 L CA -1.053 53.843 54.840 0.094 0.000 0.843 53 L CB 3.533 45.650 42.059 0.096 0.000 1.436 53 L HN -0.110 8.194 8.230 0.124 0.000 0.410 54 T N -1.492 113.132 114.554 0.117 0.000 2.895 54 T HA 0.427 4.912 4.350 0.225 0.000 0.283 54 T C 1.465 176.248 174.700 0.138 0.000 1.014 54 T CA -1.684 60.511 62.100 0.158 0.000 1.037 54 T CB 2.365 71.309 68.868 0.127 0.000 1.006 54 T HN 0.274 8.565 8.240 0.086 0.000 0.468 55 I N 2.825 123.487 120.570 0.153 0.000 2.195 55 I HA -0.290 3.950 4.170 0.116 0.000 0.232 55 I C -1.821 174.268 176.117 -0.046 0.000 0.986 55 I CA 4.003 65.288 61.300 -0.025 0.000 1.283 55 I CB -1.373 36.345 38.000 -0.470 0.000 0.990 55 I HN 0.507 8.870 8.210 0.255 0.000 0.390 56 P HA 0.200 4.582 4.420 -0.062 0.000 0.272 56 P C -0.736 176.551 177.300 -0.022 0.000 1.408 56 P CA -0.983 62.068 63.100 -0.081 0.000 0.996 56 P CB 0.458 32.066 31.700 -0.154 0.000 1.481 57 G N 0.031 108.839 108.800 0.012 0.000 2.176 57 G HA2 -0.353 3.624 3.960 0.028 0.000 0.232 57 G HA3 -0.353 3.609 3.960 0.003 0.000 0.232 57 G C 0.314 175.241 174.900 0.046 0.000 0.986 57 G CA 0.678 45.791 45.100 0.022 0.000 0.643 57 G HN -0.195 7.890 8.290 0.028 0.222 0.522 58 T N 0.452 115.047 114.554 0.069 0.000 2.261 58 T HA -0.289 4.108 4.350 0.079 0.000 0.201 58 T C -0.446 174.301 174.700 0.080 0.000 1.646 58 T CA 2.183 64.338 62.100 0.091 0.000 1.326 58 T CB 0.210 69.168 68.868 0.149 0.000 0.876 58 T HN -0.164 8.051 8.240 0.066 0.065 0.378 59 D N -1.842 118.615 120.400 0.095 0.000 4.476 59 D HA 0.055 4.743 4.640 0.080 0.000 0.114 59 D C -1.400 174.952 176.300 0.087 0.000 0.602 59 D CA 0.628 54.677 54.000 0.081 0.000 0.653 59 D CB 0.067 40.904 40.800 0.061 0.000 1.615 59 D HN 0.140 8.581 8.370 0.119 0.000 0.382 60 V N -3.058 116.925 119.914 0.115 0.000 3.503 60 V HA 0.055 4.232 4.120 0.095 0.000 0.426 60 V C -0.775 175.420 176.094 0.168 0.000 1.555 60 V CA 0.624 62.993 62.300 0.115 0.000 1.586 60 V CB 1.319 33.197 31.823 0.090 0.000 1.152 60 V HN -0.456 7.818 8.190 0.139 0.000 0.571 61 S N 1.797 117.618 115.700 0.202 0.000 2.790 61 S HA 0.272 4.972 4.470 0.382 0.000 0.162 61 S C -0.351 174.344 174.600 0.159 0.000 0.792 61 S CA 0.436 58.808 58.200 0.286 0.000 1.089 61 S CB 1.095 64.524 63.200 0.382 0.000 0.666 61 S HN -0.230 8.182 8.310 0.171 0.000 0.521 62 R N -2.560 118.020 120.500 0.133 0.000 3.084 62 R HA 0.059 4.462 4.340 0.105 0.000 0.280 62 R C -2.175 174.209 176.300 0.140 0.000 0.935 62 R CA -0.329 55.833 56.100 0.103 0.000 0.815 62 R CB 2.279 32.609 30.300 0.050 0.000 1.457 62 R HN -0.519 7.847 8.270 0.160 0.000 0.499 63 S N -0.428 115.392 115.700 0.200 0.000 2.541 63 S HA 0.123 4.807 4.470 0.294 -0.038 0.283 63 S C -1.554 173.314 174.600 0.447 0.000 1.196 63 S CA -0.159 58.270 58.200 0.381 0.000 1.062 63 S CB 0.954 64.488 63.200 0.557 0.000 1.009 63 S HN 0.164 8.579 8.310 0.175 0.000 0.502 64 Y N 4.706 125.249 120.300 0.404 0.000 2.433 64 Y HA 0.215 4.737 4.550 -0.047 0.000 0.337 64 Y C -1.613 174.478 175.900 0.319 0.000 1.026 64 Y CA -0.547 57.636 58.100 0.139 0.000 1.037 64 Y CB 4.256 42.674 38.460 -0.070 0.000 1.245 64 Y HN -0.143 8.502 8.280 0.609 0.000 0.443 65 S N 8.959 124.717 115.700 0.098 0.000 2.414 65 S HA 0.244 5.139 4.470 0.634 -0.045 0.290 65 S C -1.745 173.099 174.600 0.406 0.000 1.160 65 S CA -1.541 56.810 58.200 0.250 0.000 1.069 65 S CB -0.161 62.921 63.200 -0.196 0.000 1.012 65 S HN 0.289 8.218 8.310 -0.636 0.000 0.510 66 P HA 0.062 4.680 4.420 0.331 0.000 0.283 66 P C -1.973 175.421 177.300 0.157 0.000 1.278 66 P CA -1.555 61.709 63.100 0.273 0.000 0.834 66 P CB 1.316 33.134 31.700 0.196 0.000 1.150 67 A N -0.894 121.989 122.820 0.105 0.000 2.455 67 A HA 0.302 4.660 4.320 0.064 0.000 0.300 67 A C -1.528 176.061 177.584 0.009 0.000 1.040 67 A CA -0.887 51.188 52.037 0.063 0.000 0.697 67 A CB 3.337 22.387 19.000 0.083 0.000 1.265 67 A HN -0.210 8.001 8.150 0.102 0.000 0.407 68 N N 1.969 120.651 118.700 -0.029 0.000 2.638 68 N HA 0.406 5.245 4.740 -0.059 -0.134 0.220 68 N C -0.193 175.236 175.510 -0.134 0.000 1.031 68 N CA -0.193 52.813 53.050 -0.072 0.000 1.062 68 N CB 0.933 39.371 38.487 -0.082 0.000 1.406 68 N HN 0.278 8.648 8.380 -0.017 0.000 0.495 69 L N -5.239 115.851 121.223 -0.222 0.000 4.177 69 L HA -0.042 3.813 4.340 -0.808 0.000 0.196 69 L C -2.686 173.911 176.870 -0.456 0.000 1.035 69 L CA -0.890 53.657 54.840 -0.489 0.000 0.999 69 L CB 1.018 42.858 42.059 -0.364 0.000 1.332 69 L HN -0.555 7.577 8.230 -0.164 0.000 0.353 70 P HA 0.037 4.425 4.420 -0.107 -0.033 0.262 70 P C -2.087 175.129 177.300 -0.140 0.000 1.455 70 P CA 0.354 63.297 63.100 -0.262 0.000 1.217 70 P CB -1.065 30.546 31.700 -0.148 0.000 1.625 71 N N 1.410 120.052 118.700 -0.097 0.000 2.777 71 N HA 0.111 4.824 4.740 -0.044 0.000 0.260 71 N C -2.964 172.518 175.510 -0.045 0.000 1.113 71 N CA -2.177 50.835 53.050 -0.064 0.000 0.996 71 N CB 1.149 39.589 38.487 -0.078 0.000 1.584 71 N HN -0.255 8.018 8.380 -0.091 0.051 0.573 72 P HA 0.055 4.476 4.420 -0.021 -0.014 0.264 72 P C -1.636 175.650 177.300 -0.023 0.000 1.537 72 P CA 0.636 63.723 63.100 -0.021 0.000 1.189 72 P CB -0.672 31.022 31.700 -0.011 0.000 1.687 73 E N 1.715 121.896 120.200 -0.031 0.000 3.529 73 E HA 0.123 4.462 4.350 -0.018 0.000 0.268 73 E C -1.745 174.835 176.600 -0.033 0.000 1.217 73 E CA 0.025 56.409 56.400 -0.027 0.000 1.787 73 E CB 2.990 32.674 29.700 -0.027 0.000 2.123 73 E HN -0.041 8.372 8.360 -0.039 -0.077 0.855 74 G N -1.077 107.695 108.800 -0.046 0.000 2.308 74 G HA2 -0.128 3.774 3.960 -0.096 0.000 0.182 74 G HA3 -0.128 3.896 3.960 -0.050 -0.094 0.182 74 G C -2.891 171.978 174.900 -0.051 0.000 1.488 74 G CA 0.011 45.073 45.100 -0.063 0.000 1.144 74 G HN -0.073 8.188 8.290 -0.048 0.000 0.608 75 R N 1.383 121.841 120.500 -0.069 0.000 2.605 75 R HA 0.120 4.439 4.340 -0.035 0.000 0.291 75 R C -2.556 173.706 176.300 -0.064 0.000 1.226 75 R CA -0.658 55.410 56.100 -0.053 0.000 0.981 75 R CB 2.659 32.931 30.300 -0.046 0.000 1.215 75 R HN -0.254 7.964 8.270 -0.087 0.000 0.428 76 L N 4.089 125.276 121.223 -0.061 0.000 2.289 76 L HA 0.561 5.061 4.340 -0.041 -0.184 0.285 76 L C -1.562 175.272 176.870 -0.060 0.000 1.049 76 L CA -1.458 53.353 54.840 -0.048 0.000 0.804 76 L CB 2.017 44.055 42.059 -0.035 0.000 1.195 76 L HN -0.227 7.975 8.230 -0.046 0.000 0.428 77 E N 5.129 125.304 120.200 -0.040 0.000 2.216 77 E HA 0.845 5.367 4.350 -0.185 -0.283 0.260 77 E C -0.714 175.866 176.600 -0.033 0.000 0.880 77 E CA -2.191 54.154 56.400 -0.091 0.000 0.765 77 E CB 2.250 31.914 29.700 -0.059 0.000 1.174 77 E HN -0.163 8.194 8.360 -0.005 0.000 0.417 78 F N 2.410 122.287 119.950 -0.122 0.000 2.458 78 F HA 0.488 4.914 4.527 -0.170 0.000 0.330 78 F C -2.560 173.107 175.800 -0.223 0.000 1.082 78 F CA -3.256 54.538 58.000 -0.344 0.000 0.995 78 F CB 2.456 40.916 39.000 -0.900 0.000 1.170 78 F HN 0.184 8.155 8.300 -0.548 0.000 0.478 79 L N 3.105 124.527 121.223 0.331 0.000 2.426 79 L HA 0.519 5.216 4.340 0.219 -0.226 0.255 79 L C -1.101 176.054 176.870 0.475 0.000 1.080 79 L CA -1.326 53.719 54.840 0.341 0.000 0.960 79 L CB 0.374 42.574 42.059 0.236 0.000 1.326 79 L HN 0.623 9.160 8.230 0.512 0.000 0.441 80 I N 3.626 124.451 120.570 0.425 0.000 2.342 80 I HA 0.043 4.461 4.170 0.414 0.000 0.291 80 I C -1.386 174.845 176.117 0.191 0.000 1.010 80 I CA -0.746 60.718 61.300 0.272 0.000 1.308 80 I CB 2.620 40.617 38.000 -0.005 0.000 1.400 80 I HN -0.422 8.130 8.210 0.570 0.000 0.488 81 R N 8.501 129.104 120.500 0.172 0.000 2.351 81 R HA 0.073 4.685 4.340 0.137 -0.190 0.321 81 R C -0.913 175.450 176.300 0.105 0.000 1.182 81 R CA -0.483 55.697 56.100 0.133 0.000 1.011 81 R CB -1.105 29.271 30.300 0.127 0.000 1.048 81 R HN 0.360 8.748 8.270 0.196 0.000 0.490 82 V N -0.938 119.039 119.914 0.105 0.000 2.539 82 V HA 0.200 4.414 4.120 0.157 0.000 0.292 82 V C -2.104 174.093 176.094 0.172 0.000 1.045 82 V CA -1.829 60.550 62.300 0.132 0.000 0.945 82 V CB 1.935 33.791 31.823 0.054 0.000 0.993 82 V HN -0.225 7.949 8.190 0.086 0.068 0.464 83 L N 3.652 124.984 121.223 0.182 0.000 2.342 83 L HA 0.665 5.109 4.340 0.173 0.000 0.276 83 L C -2.521 174.458 176.870 0.182 0.000 0.997 83 L CA -3.813 51.127 54.840 0.168 0.000 0.838 83 L CB 1.654 43.787 42.059 0.122 0.000 1.224 83 L HN 0.194 8.536 8.230 0.186 0.000 0.416 84 P HA -0.163 4.379 4.420 0.204 0.000 0.257 84 P C -0.669 176.696 177.300 0.108 0.000 1.162 84 P CA 1.447 64.641 63.100 0.157 0.000 0.762 84 P CB -0.254 31.502 31.700 0.094 0.000 0.753 85 E N -0.736 119.528 120.200 0.107 0.000 4.047 85 E HA -0.346 4.251 4.350 0.072 -0.203 0.340 85 E C -0.581 176.070 176.600 0.084 0.000 0.720 85 E CA 0.944 57.391 56.400 0.079 0.000 1.320 85 E CB -1.037 28.695 29.700 0.054 0.000 1.685 85 E HN 0.239 8.843 8.360 0.130 -0.166 0.416 86 G N -1.413 107.455 108.800 0.112 0.000 2.820 86 G HA2 -0.136 3.879 3.960 0.091 0.000 0.158 86 G HA3 -0.136 3.958 3.960 0.135 -0.053 0.158 86 G C -0.947 174.021 174.900 0.113 0.000 1.715 86 G CA 0.399 45.567 45.100 0.114 0.000 1.057 86 G HN 0.212 8.431 8.290 0.135 0.152 0.525 87 R N -2.179 118.411 120.500 0.150 0.000 2.492 87 R HA 0.019 4.412 4.340 0.088 0.000 0.219 87 R C 0.292 176.721 176.300 0.214 0.000 0.886 87 R CA 0.851 57.036 56.100 0.142 0.000 1.003 87 R CB 0.790 31.168 30.300 0.130 0.000 1.345 87 R HN 0.041 8.419 8.270 0.179 0.000 0.631 88 F N -2.185 117.834 119.950 0.115 0.000 2.602 88 F HA 0.139 4.791 4.527 0.208 0.000 0.284 88 F C 0.610 176.491 175.800 0.134 0.000 1.111 88 F CA 0.901 58.987 58.000 0.143 0.000 1.405 88 F CB 1.584 40.643 39.000 0.098 0.000 1.121 88 F HN -0.034 8.473 8.300 0.345 0.000 0.603 89 S N 0.649 116.518 115.700 0.282 0.000 2.406 89 S HA -0.315 4.258 4.470 0.171 0.000 0.228 89 S C 1.924 176.648 174.600 0.208 0.000 1.020 89 S CA 3.437 61.772 58.200 0.225 0.000 0.965 89 S CB -0.099 63.263 63.200 0.270 0.000 0.798 89 S HN 0.296 8.782 8.310 0.293 0.000 0.488 90 D N 0.803 121.311 120.400 0.181 0.000 2.123 90 D HA -0.212 4.525 4.640 0.163 0.000 0.200 90 D C 1.391 177.788 176.300 0.161 0.000 0.976 90 D CA 3.226 57.319 54.000 0.156 0.000 0.831 90 D CB -0.221 40.653 40.800 0.122 0.000 0.974 90 D HN 0.369 8.847 8.370 0.180 0.000 0.469 91 Y N 0.684 120.953 120.300 -0.053 0.000 2.439 91 Y HA -0.166 4.337 4.550 -0.078 0.000 0.292 91 Y C 1.379 177.183 175.900 -0.160 0.000 1.130 91 Y CA 1.330 59.353 58.100 -0.129 0.000 1.254 91 Y CB -0.050 38.273 38.460 -0.228 0.000 1.000 91 Y HN -0.566 7.830 8.280 0.195 0.000 0.554 92 L N -1.227 119.917 121.223 -0.131 0.000 2.056 92 L HA -0.399 3.764 4.340 -0.296 0.000 0.207 92 L C 2.155 178.953 176.870 -0.120 0.000 1.078 92 L CA 3.099 57.829 54.840 -0.184 0.000 0.749 92 L CB -0.053 41.947 42.059 -0.100 0.000 0.901 92 L HN -0.121 7.957 8.230 -0.021 0.139 0.433 93 R N -3.236 117.267 120.500 0.005 0.000 2.254 93 R HA -0.143 4.206 4.340 0.015 0.000 0.195 93 R C 1.265 177.579 176.300 0.023 0.000 0.957 93 R CA 2.294 58.425 56.100 0.052 0.000 1.024 93 R CB 0.024 30.433 30.300 0.182 0.000 0.952 93 R HN -0.659 7.648 8.270 0.061 0.000 0.484 94 N N -2.719 115.992 118.700 0.018 0.000 2.254 94 N HA 0.013 4.773 4.740 0.033 0.000 0.190 94 N C 0.091 175.589 175.510 -0.021 0.000 1.107 94 N CA 1.708 54.780 53.050 0.036 0.000 0.869 94 N CB 0.777 39.328 38.487 0.107 0.000 0.983 94 N HN -0.440 7.811 8.380 0.021 0.141 0.487 95 D N -2.666 117.630 120.400 -0.173 0.000 2.583 95 D HA 0.173 4.717 4.640 -0.159 0.000 0.282 95 D C -2.326 173.793 176.300 -0.301 0.000 1.485 95 D CA 0.319 54.129 54.000 -0.316 0.000 0.834 95 D CB 1.317 41.648 40.800 -0.783 0.000 1.258 95 D HN -0.279 7.932 8.370 -0.186 0.048 0.470 96 A N -3.311 119.400 122.820 -0.181 0.000 2.568 96 A HA 0.145 4.465 4.320 0.001 0.000 0.287 96 A C -0.706 176.875 177.584 -0.007 0.000 0.967 96 A CA -0.577 51.428 52.037 -0.055 0.000 1.004 96 A CB 0.876 19.845 19.000 -0.052 0.000 1.233 96 A HN -0.649 7.410 8.150 -0.153 0.000 0.513 97 R N -1.438 119.051 120.500 -0.017 0.000 3.151 97 R HA -0.079 4.244 4.340 -0.030 0.000 0.283 97 R C 0.321 176.659 176.300 0.064 0.000 1.140 97 R CA 0.593 56.694 56.100 0.002 0.000 1.162 97 R CB 0.283 30.587 30.300 0.007 0.000 1.121 97 R HN -0.290 7.958 8.270 -0.036 0.000 0.552 98 V N -2.348 117.599 119.914 0.056 0.000 3.623 98 V HA 0.077 4.394 4.120 0.144 -0.111 0.271 98 V C -0.063 176.065 176.094 0.057 0.000 1.248 98 V CA 0.894 63.244 62.300 0.083 0.000 1.156 98 V CB 0.313 32.173 31.823 0.062 0.000 0.870 98 V HN 0.098 8.308 8.190 0.034 0.000 0.453 99 G N 1.537 110.361 108.800 0.039 0.000 4.699 99 G HA2 0.263 4.235 3.960 0.019 0.000 0.308 99 G HA3 0.263 4.233 3.960 0.015 0.000 0.308 99 G C -1.957 172.951 174.900 0.013 0.000 1.399 99 G CA -0.180 44.933 45.100 0.021 0.000 1.221 99 G HN -0.128 8.104 8.290 0.037 0.081 0.596 100 Q N -1.113 118.697 119.800 0.016 0.000 2.832 100 Q HA 0.110 4.444 4.340 -0.010 0.000 0.322 100 Q C -2.517 173.471 176.000 -0.019 0.000 0.842 100 Q CA -0.454 55.348 55.803 -0.002 0.000 0.780 100 Q CB 3.584 32.322 28.738 0.000 0.000 1.411 100 Q HN -0.759 7.475 8.270 0.028 0.053 0.490 101 V N 0.925 120.813 119.914 -0.043 0.000 2.588 101 V HA 0.489 4.663 4.120 -0.093 -0.109 0.304 101 V C -1.678 174.358 176.094 -0.096 0.000 1.042 101 V CA -1.887 60.364 62.300 -0.082 0.000 0.877 101 V CB 1.968 33.737 31.823 -0.090 0.000 0.996 101 V HN 0.191 8.359 8.190 -0.038 0.000 0.425 102 L N 6.125 127.263 121.223 -0.141 0.000 2.376 102 L HA 0.611 4.894 4.340 -0.095 0.000 0.275 102 L C -1.936 174.808 176.870 -0.210 0.000 0.987 102 L CA -0.976 53.785 54.840 -0.131 0.000 0.828 102 L CB 3.551 45.553 42.059 -0.095 0.000 1.249 102 L HN 1.010 9.135 8.230 -0.175 0.000 0.409 103 S N 5.148 120.743 115.700 -0.175 0.000 2.480 103 S HA 0.355 4.640 4.470 -0.456 -0.089 0.286 103 S C -1.310 173.252 174.600 -0.064 0.000 1.180 103 S CA -0.288 57.777 58.200 -0.225 0.000 1.075 103 S CB 1.155 64.256 63.200 -0.165 0.000 0.996 103 S HN 0.271 8.512 8.310 -0.115 0.000 0.487 104 V N 2.966 122.914 119.914 0.056 0.000 2.439 104 V HA 0.234 4.422 4.120 0.113 0.000 0.282 104 V C -1.869 174.330 176.094 0.174 0.000 1.039 104 V CA -1.841 60.576 62.300 0.196 0.000 0.913 104 V CB 1.446 33.473 31.823 0.341 0.000 0.983 104 V HN 0.332 8.430 8.190 -0.017 0.081 0.460 105 K N 7.685 128.134 120.400 0.082 0.000 2.579 105 K HA 0.578 5.085 4.320 0.063 -0.149 0.250 105 K C -0.736 175.846 176.600 -0.030 0.000 0.952 105 K CA -1.186 55.124 56.287 0.039 0.000 0.857 105 K CB 1.857 34.372 32.500 0.025 0.000 1.123 105 K HN 0.916 9.103 8.250 0.067 0.103 0.433 106 G N 3.018 111.778 108.800 -0.066 0.000 3.559 106 G HA2 0.074 3.934 3.960 -0.167 0.000 0.239 106 G HA3 0.074 3.832 3.960 -0.282 0.033 0.239 106 G C -3.035 171.758 174.900 -0.178 0.000 3.928 106 G CA 0.558 45.551 45.100 -0.179 0.000 0.458 106 G HN 0.052 8.325 8.290 -0.027 0.000 0.270 107 P HA -0.078 4.303 4.420 -0.066 0.000 0.235 107 P C -1.436 175.812 177.300 -0.086 0.000 1.720 107 P CA 0.184 63.238 63.100 -0.076 0.000 1.003 107 P CB -2.265 29.409 31.700 -0.043 0.000 1.968 108 L N -1.143 119.999 121.223 -0.136 0.000 2.277 108 L HA 0.649 4.962 4.340 -0.045 0.000 0.254 108 L C -1.986 174.893 176.870 0.016 0.000 1.044 108 L CA -1.748 53.031 54.840 -0.102 0.000 0.842 108 L CB 3.964 45.890 42.059 -0.222 0.000 1.422 108 L HN 0.302 8.338 8.230 -0.186 0.082 0.422 109 G N -3.145 105.756 108.800 0.169 0.000 2.644 109 G HA2 0.535 4.648 3.960 0.255 0.000 0.307 109 G HA3 0.535 4.690 3.960 0.324 0.000 0.307 109 G C -2.025 173.173 174.900 0.496 0.000 1.250 109 G CA -1.504 43.783 45.100 0.311 0.000 0.996 109 G HN -0.025 8.348 8.290 0.137 0.000 0.489 110 V N 0.466 120.600 119.914 0.367 0.000 2.334 110 V HA 0.234 4.521 4.120 0.278 0.000 0.281 110 V C -1.786 174.432 176.094 0.207 0.000 1.016 110 V CA -1.570 60.875 62.300 0.243 0.000 0.832 110 V CB 0.242 32.075 31.823 0.016 0.000 0.999 110 V HN -0.360 7.973 8.190 0.238 0.000 0.439 111 F N 8.637 128.548 119.950 -0.064 0.000 2.405 111 F HA 0.116 4.506 4.527 -0.228 0.000 0.355 111 F C -0.887 174.846 175.800 -0.111 0.000 1.121 111 F CA -0.380 57.530 58.000 -0.149 0.000 1.112 111 F CB 0.325 39.235 39.000 -0.150 0.000 1.126 111 F HN 0.228 8.795 8.300 0.445 0.000 0.481 112 G N 0.964 109.689 108.800 -0.125 0.000 3.159 112 G HA2 0.043 4.086 3.960 0.137 0.000 0.185 112 G HA3 0.043 4.078 3.960 0.125 0.000 0.185 112 G C -2.695 171.974 174.900 -0.384 0.000 1.523 112 G CA 0.670 45.751 45.100 -0.033 0.000 0.752 112 G HN 0.213 8.277 8.290 -0.377 0.000 0.964 113 L N -1.748 118.912 121.223 -0.939 0.000 2.376 113 L HA 0.411 3.790 4.340 -1.603 0.000 0.275 113 L C -1.869 174.138 176.870 -1.438 0.000 0.987 113 L CA -0.578 53.309 54.840 -1.588 0.000 0.828 113 L CB 1.715 42.532 42.059 -2.070 0.000 1.249 113 L HN -0.488 7.279 8.230 -0.771 0.000 0.409 114 K N 4.090 123.530 120.400 -1.600 0.000 2.604 114 K HA 0.314 4.130 4.320 -0.840 0.000 0.247 114 K C -0.841 175.547 176.600 -0.355 0.000 0.956 114 K CA -2.244 53.509 56.287 -0.890 0.000 0.896 114 K CB 2.556 34.367 32.500 -1.149 0.000 1.131 114 K HN 0.288 7.281 8.250 -2.095 0.000 0.440 115 E N 4.368 124.399 120.200 -0.282 0.000 2.354 115 E HA 0.325 4.831 4.350 0.260 0.000 0.269 115 E C 0.085 176.713 176.600 0.047 0.000 1.036 115 E CA -0.072 56.340 56.400 0.020 0.000 0.876 115 E CB 0.704 30.380 29.700 -0.040 0.000 1.009 115 E HN 0.522 8.631 8.360 -0.420 0.000 0.416 116 R N 4.654 125.219 120.500 0.109 0.000 2.335 116 R HA -0.063 4.321 4.340 0.075 0.000 0.223 116 R C 0.134 176.466 176.300 0.053 0.000 0.940 116 R CA -0.342 55.808 56.100 0.082 0.000 1.086 116 R CB 0.437 30.792 30.300 0.092 0.000 1.073 116 R HN 0.525 8.883 8.270 0.146 0.000 0.504 117 G N -0.177 108.651 108.800 0.046 0.000 4.686 117 G HA2 -0.361 3.763 3.960 0.055 0.000 0.235 117 G HA3 -0.361 3.623 3.960 0.041 0.000 0.235 117 G C -1.304 173.617 174.900 0.036 0.000 1.589 117 G CA 0.448 45.574 45.100 0.044 0.000 1.172 117 G HN -0.190 8.116 8.290 0.044 0.010 0.660 118 M N 2.929 122.546 119.600 0.029 0.000 1.998 118 M HA 0.271 4.760 4.480 0.015 0.000 0.289 118 M C -1.873 174.437 176.300 0.016 0.000 0.886 118 M CA -0.915 54.396 55.300 0.019 0.000 0.853 118 M CB -0.073 32.536 32.600 0.016 0.000 1.462 118 M HN -0.361 7.948 8.290 0.032 0.000 0.375 119 A N 2.676 125.502 122.820 0.010 0.000 2.582 119 A HA 0.373 4.694 4.320 0.002 0.000 0.297 119 A C -3.214 174.351 177.584 -0.032 0.000 1.059 119 A CA -1.850 50.188 52.037 0.003 0.000 0.705 119 A CB 1.676 20.689 19.000 0.021 0.000 1.279 119 A HN -0.249 7.905 8.150 0.007 0.000 0.404 120 P HA 0.106 4.691 4.420 -0.214 -0.293 0.264 120 P C -1.146 176.021 177.300 -0.222 0.000 1.236 120 P CA -0.356 62.655 63.100 -0.148 0.000 0.811 120 P CB -0.325 31.348 31.700 -0.045 0.000 0.840 121 R N 2.369 122.652 120.500 -0.363 0.000 2.637 121 R HA 0.619 4.905 4.340 -0.317 -0.136 0.291 121 R C -0.986 174.904 176.300 -0.683 0.000 0.963 121 R CA -1.564 54.282 56.100 -0.424 0.000 0.901 121 R CB 3.390 33.575 30.300 -0.193 0.000 1.160 121 R HN -0.550 7.523 8.270 -0.329 0.000 0.457 122 Y N -0.765 119.201 120.300 -0.556 0.000 2.341 122 Y HA 0.452 4.871 4.550 -0.498 -0.167 0.338 122 Y C -1.392 174.309 175.900 -0.331 0.000 0.965 122 Y CA -2.127 55.630 58.100 -0.572 0.000 1.108 122 Y CB 2.628 40.580 38.460 -0.848 0.000 1.180 122 Y HN 0.037 8.101 8.280 -0.361 0.000 0.458 123 F N 4.696 124.560 119.950 -0.142 0.000 2.382 123 F HA 0.674 5.480 4.527 0.231 -0.141 0.361 123 F C -1.697 174.204 175.800 0.167 0.000 1.109 123 F CA -3.478 54.608 58.000 0.144 0.000 1.031 123 F CB 2.239 41.403 39.000 0.273 0.000 1.234 123 F HN 0.148 8.461 8.300 0.021 0.000 0.445 124 V N 10.205 130.358 119.914 0.399 0.000 2.348 124 V HA 0.604 5.090 4.120 0.304 -0.183 0.270 124 V C -2.304 173.818 176.094 0.046 0.000 1.037 124 V CA -2.610 59.856 62.300 0.277 0.000 0.872 124 V CB 2.015 34.076 31.823 0.396 0.000 1.002 124 V HN 0.902 9.436 8.190 0.573 0.000 0.464 125 A N 9.461 132.245 122.820 -0.060 0.000 2.292 125 A HA 0.772 5.175 4.320 -0.081 -0.131 0.319 125 A C -1.743 175.859 177.584 0.030 0.000 1.206 125 A CA -2.049 49.950 52.037 -0.063 0.000 0.835 125 A CB 2.818 21.759 19.000 -0.098 0.000 1.164 125 A HN 0.820 8.982 8.150 0.021 0.000 0.505 126 G N 1.155 109.887 108.800 -0.113 0.000 2.547 126 G HA2 0.644 4.834 3.960 -0.064 0.000 0.327 126 G HA3 0.644 4.496 3.960 -0.242 -0.037 0.327 126 G C -1.275 173.529 174.900 -0.162 0.000 1.118 126 G CA -1.170 43.838 45.100 -0.154 0.000 1.022 126 G HN 0.118 8.164 8.290 -0.226 0.108 0.464 127 G N 7.216 116.055 108.800 0.065 0.000 2.337 127 G HA2 -0.223 3.828 3.960 0.152 0.000 0.197 127 G HA3 -0.223 3.786 3.960 0.081 0.000 0.197 127 G C -1.538 173.556 174.900 0.322 0.000 1.238 127 G CA -0.148 45.048 45.100 0.159 0.000 1.119 127 G HN 0.083 8.447 8.290 0.123 0.000 0.514 128 T N 2.861 117.600 114.554 0.309 0.000 3.001 128 T HA 0.091 4.550 4.350 0.181 0.000 0.251 128 T C 0.810 175.642 174.700 0.220 0.000 1.040 128 T CA 1.621 63.863 62.100 0.238 0.000 0.985 128 T CB 0.573 69.574 68.868 0.222 0.000 1.011 128 T HN 0.176 8.591 8.240 0.291 0.000 0.509 129 G N 1.075 110.121 108.800 0.409 0.000 2.807 129 G HA2 -0.106 4.035 3.960 0.129 0.000 0.207 129 G HA3 -0.106 3.779 3.960 -0.125 0.000 0.207 129 G C 0.630 175.322 174.900 -0.346 0.000 1.151 129 G CA 0.720 45.844 45.100 0.041 0.000 0.800 129 G HN 0.242 8.885 8.290 0.588 0.000 0.523 130 L N -5.557 115.696 121.223 0.049 0.000 2.610 130 L HA 0.109 4.390 4.340 -0.099 0.000 0.232 130 L C 0.331 177.152 176.870 -0.082 0.000 1.149 130 L CA -0.068 54.753 54.840 -0.032 0.000 0.872 130 L CB -1.147 40.935 42.059 0.039 0.000 0.992 130 L HN -0.620 7.586 8.230 0.194 0.139 0.447 131 A N 1.711 124.484 122.820 -0.078 0.000 1.927 131 A HA -0.249 4.033 4.320 -0.064 0.000 0.220 131 A C -1.135 176.459 177.584 0.015 0.000 1.185 131 A CA 4.833 56.851 52.037 -0.031 0.000 0.639 131 A CB -2.831 16.183 19.000 0.024 0.000 0.820 131 A HN 0.008 8.014 8.150 -0.067 0.104 0.451 132 P HA -0.190 4.270 4.420 0.068 0.000 0.220 132 P C 1.014 178.338 177.300 0.039 0.000 1.152 132 P CA 2.463 65.574 63.100 0.019 0.000 0.812 132 P CB -0.241 31.438 31.700 -0.036 0.000 0.792 133 V N -1.821 118.105 119.914 0.020 0.000 2.307 133 V HA -0.384 3.925 4.120 0.315 0.000 0.245 133 V C 1.794 177.953 176.094 0.108 0.000 1.045 133 V CA 4.453 66.826 62.300 0.121 0.000 1.024 133 V CB -0.212 31.540 31.823 -0.119 0.000 0.651 133 V HN -0.486 7.526 8.190 -0.058 0.142 0.449 134 V N -2.602 117.344 119.914 0.054 0.000 2.490 134 V HA -0.387 3.775 4.120 0.069 0.000 0.250 134 V C 1.880 178.036 176.094 0.103 0.000 1.061 134 V CA 3.419 65.766 62.300 0.078 0.000 1.064 134 V CB -1.695 30.191 31.823 0.106 0.000 0.670 134 V HN 0.618 8.702 8.190 0.019 0.117 0.461 135 S N 0.530 116.314 115.700 0.140 0.000 2.348 135 S HA -0.325 4.406 4.470 0.435 0.000 0.221 135 S C 2.195 176.816 174.600 0.035 0.000 1.033 135 S CA 3.464 61.838 58.200 0.288 0.000 1.010 135 S CB -0.294 63.097 63.200 0.317 0.000 0.891 135 S HN -0.566 7.707 8.310 0.113 0.105 0.442 136 M N 2.237 121.800 119.600 -0.061 0.000 2.229 136 M HA -0.220 4.182 4.480 -0.443 -0.188 0.264 136 M C 2.056 178.165 176.300 -0.318 0.000 1.063 136 M CA 2.740 57.876 55.300 -0.273 0.000 1.114 136 M CB 0.017 32.496 32.600 -0.201 0.000 1.387 136 M HN -0.189 8.117 8.290 0.026 0.000 0.420 137 V N -0.160 119.682 119.914 -0.121 0.000 2.255 137 V HA -0.491 3.584 4.120 -0.074 0.000 0.247 137 V C 2.374 178.368 176.094 -0.166 0.000 1.051 137 V CA 4.569 66.823 62.300 -0.076 0.000 1.018 137 V CB -0.904 30.951 31.823 0.052 0.000 0.641 137 V HN 0.246 8.319 8.190 -0.021 0.104 0.445 138 R N -2.379 118.023 120.500 -0.164 0.000 2.120 138 R HA -0.178 4.412 4.340 -0.083 -0.300 0.234 138 R C 3.073 179.159 176.300 -0.357 0.000 1.123 138 R CA 3.192 59.197 56.100 -0.159 0.000 0.975 138 R CB -0.500 29.805 30.300 0.007 0.000 0.866 138 R HN -0.418 7.791 8.270 -0.101 0.000 0.446 139 Q N -1.491 117.860 119.800 -0.747 0.000 2.124 139 Q HA -0.332 3.489 4.340 -0.865 0.000 0.202 139 Q C 2.494 178.084 176.000 -0.684 0.000 0.977 139 Q CA 3.238 58.462 55.803 -0.966 0.000 0.850 139 Q CB -0.126 27.812 28.738 -1.333 0.000 0.901 139 Q HN -0.597 7.092 8.270 -0.769 0.119 0.429 140 M N -0.447 118.842 119.600 -0.519 0.000 2.132 140 M HA -0.317 4.046 4.480 -0.328 -0.080 0.263 140 M C 1.743 178.003 176.300 -0.067 0.000 1.065 140 M CA 3.833 58.958 55.300 -0.291 0.000 1.122 140 M CB 0.014 32.467 32.600 -0.245 0.000 1.365 140 M HN -0.570 7.317 8.290 -0.497 0.105 0.411 141 Q N -0.326 119.428 119.800 -0.077 0.000 2.079 141 Q HA -0.267 4.266 4.340 -0.000 -0.193 0.200 141 Q C 2.798 178.820 176.000 0.038 0.000 0.974 141 Q CA 2.660 58.456 55.803 -0.012 0.000 0.840 141 Q CB -0.012 28.713 28.738 -0.022 0.000 0.898 141 Q HN -0.536 7.654 8.270 -0.134 0.000 0.430 142 E N -2.406 117.821 120.200 0.046 0.000 2.427 142 E HA -0.171 4.230 4.350 0.085 0.000 0.196 142 E C 0.413 177.143 176.600 0.217 0.000 1.028 142 E CA 1.755 58.222 56.400 0.112 0.000 0.864 142 E CB -0.045 29.728 29.700 0.121 0.000 0.813 142 E HN -0.217 8.130 8.360 -0.022 0.000 0.514 143 W N -1.959 119.293 121.300 -0.079 0.000 2.577 143 W HA -0.078 4.548 4.660 -0.058 0.000 0.316 143 W C 1.188 177.677 176.519 -0.050 0.000 1.112 143 W CA 1.397 58.700 57.345 -0.071 0.000 1.400 143 W CB 1.128 30.527 29.460 -0.101 0.000 1.220 143 W HN -0.513 7.641 8.180 0.256 0.180 0.469 144 T N -6.583 108.111 114.554 0.233 0.000 3.839 144 T HA 0.068 4.454 4.350 0.061 0.000 0.319 144 T C -0.769 173.981 174.700 0.083 0.000 0.904 144 T CA -0.288 61.872 62.100 0.100 0.000 0.986 144 T CB 0.451 69.353 68.868 0.056 0.000 1.188 144 T HN -0.396 8.040 8.240 0.326 0.000 0.550 145 A N 1.952 124.823 122.820 0.084 0.000 3.106 145 A HA 0.747 5.252 4.320 0.036 -0.163 0.306 145 A C -1.221 176.374 177.584 0.019 0.000 1.192 145 A CA -2.909 49.151 52.037 0.039 0.000 0.994 145 A CB -0.448 18.563 19.000 0.018 0.000 1.107 145 A HN 0.128 8.345 8.150 0.112 0.000 0.585 146 P HA -0.071 4.355 4.420 0.010 0.000 0.239 146 P C -0.775 176.526 177.300 0.001 0.000 1.184 146 P CA 0.418 63.525 63.100 0.012 0.000 0.760 146 P CB -0.041 31.668 31.700 0.015 0.000 0.884 147 N N -0.377 118.322 118.700 -0.001 0.000 2.260 147 N HA -0.203 4.534 4.740 -0.006 0.000 0.270 147 N C -0.562 174.932 175.510 -0.026 0.000 1.281 147 N CA -0.585 52.460 53.050 -0.009 0.000 0.918 147 N CB 0.735 39.218 38.487 -0.007 0.000 1.028 147 N HN -0.125 8.165 8.380 0.005 0.093 0.482 148 E N -2.063 118.113 120.200 -0.039 0.000 2.159 148 E HA -0.082 4.291 4.350 -0.059 -0.059 0.272 148 E C -0.742 175.783 176.600 -0.125 0.000 1.138 148 E CA 0.830 57.187 56.400 -0.072 0.000 0.915 148 E CB -0.880 28.778 29.700 -0.070 0.000 1.028 148 E HN 0.246 8.588 8.360 -0.030 0.000 0.423 149 T N 7.221 121.704 114.554 -0.119 0.000 2.772 149 T HA 0.203 4.452 4.350 -0.169 0.000 0.288 149 T C -0.916 173.661 174.700 -0.204 0.000 0.994 149 T CA -0.016 61.999 62.100 -0.142 0.000 0.951 149 T CB 0.950 69.778 68.868 -0.067 0.000 0.933 149 T HN -0.434 7.755 8.240 -0.085 0.000 0.447 150 R N 6.229 126.491 120.500 -0.397 0.000 2.460 150 R HA 0.375 4.739 4.340 -0.241 -0.169 0.303 150 R C -1.288 174.834 176.300 -0.296 0.000 0.968 150 R CA -1.520 54.300 56.100 -0.466 0.000 0.889 150 R CB 2.193 31.749 30.300 -1.241 0.000 1.123 150 R HN 1.001 8.980 8.270 -0.485 0.000 0.455 151 I N 1.141 121.647 120.570 -0.107 0.000 2.533 151 I HA 0.267 4.607 4.170 -0.006 -0.174 0.290 151 I C -3.072 173.164 176.117 0.198 0.000 1.056 151 I CA -1.595 59.716 61.300 0.019 0.000 1.057 151 I CB 3.983 42.038 38.000 0.092 0.000 1.240 151 I HN 0.656 8.852 8.210 -0.023 0.000 0.423 152 Y N 6.842 127.271 120.300 0.215 0.000 2.331 152 Y HA 0.175 4.845 4.550 0.199 0.000 0.338 152 Y C -2.180 173.844 175.900 0.208 0.000 0.976 152 Y CA -2.069 56.148 58.100 0.196 0.000 1.137 152 Y CB 1.337 39.899 38.460 0.170 0.000 1.172 152 Y HN 0.755 9.000 8.280 0.175 0.140 0.478 153 F N 4.585 124.668 119.950 0.221 0.000 2.482 153 F HA 0.660 5.246 4.527 0.098 0.000 0.331 153 F C -1.512 174.365 175.800 0.128 0.000 1.115 153 F CA -2.574 55.506 58.000 0.133 0.000 0.955 153 F CB 3.735 42.805 39.000 0.117 0.000 1.136 153 F HN -0.361 8.201 8.300 0.437 0.000 0.452 154 G N 4.409 112.918 108.800 -0.485 0.000 2.698 154 G HA2 0.294 3.801 3.960 -0.755 0.000 0.293 154 G HA3 0.294 4.142 3.960 -0.186 0.000 0.293 154 G C -3.264 171.446 174.900 -0.316 0.000 1.437 154 G CA -0.214 44.586 45.100 -0.499 0.000 0.852 154 G HN -0.051 8.190 8.290 -0.082 0.000 0.499 155 V N -4.419 115.396 119.914 -0.165 0.000 6.516 155 V HA 0.191 4.321 4.120 0.017 0.000 0.170 155 V C -2.079 174.086 176.094 0.118 0.000 1.284 155 V CA -0.936 61.364 62.300 0.000 0.000 0.994 155 V CB 1.204 33.043 31.823 0.026 0.000 2.040 155 V HN 0.125 8.229 8.190 -0.143 0.000 0.413 156 N N -3.131 115.602 118.700 0.054 0.000 3.061 156 N HA 0.215 4.950 4.740 -0.008 0.000 0.346 156 N C -0.394 175.072 175.510 -0.074 0.000 1.392 156 N CA -1.447 51.600 53.050 -0.004 0.000 0.762 156 N CB 0.524 39.017 38.487 0.010 0.000 1.367 156 N HN -0.275 8.135 8.380 0.050 0.000 0.607 157 T N -4.581 109.900 114.554 -0.122 0.000 2.731 157 T HA -0.373 3.896 4.350 -0.134 0.000 0.263 157 T C 0.458 175.142 174.700 -0.027 0.000 1.033 157 T CA 2.932 64.980 62.100 -0.086 0.000 1.160 157 T CB 0.068 68.915 68.868 -0.034 0.000 0.849 157 T HN 0.018 8.282 8.240 -0.149 -0.114 0.469 158 E N -4.002 116.212 120.200 0.022 0.000 3.992 158 E HA -0.136 4.289 4.350 0.124 0.000 0.154 158 E C -1.404 175.262 176.600 0.110 0.000 0.752 158 E CA 2.321 58.773 56.400 0.087 0.000 2.804 158 E CB -2.545 27.202 29.700 0.078 0.000 1.423 158 E HN 0.080 8.428 8.360 0.022 0.026 0.692 159 P HA -0.208 4.256 4.420 0.072 0.000 0.219 159 P C -0.140 177.201 177.300 0.068 0.000 1.144 159 P CA 2.156 65.294 63.100 0.064 0.000 0.806 159 P CB -0.336 31.386 31.700 0.036 0.000 0.771 160 E N -5.164 115.080 120.200 0.075 0.000 2.452 160 E HA 0.098 4.477 4.350 0.048 0.000 0.197 160 E C -0.402 176.260 176.600 0.103 0.000 1.022 160 E CA 0.214 56.656 56.400 0.070 0.000 0.890 160 E CB 0.851 30.590 29.700 0.065 0.000 0.918 160 E HN 0.209 8.553 8.360 0.075 0.061 0.496 161 L N -2.719 118.613 121.223 0.181 0.000 2.464 161 L HA 0.063 4.580 4.340 0.295 0.000 0.264 161 L C -1.959 175.217 176.870 0.509 0.000 1.062 161 L CA -0.230 54.809 54.840 0.333 0.000 0.935 161 L CB 3.218 45.505 42.059 0.380 0.000 1.603 161 L HN -0.363 7.756 8.230 0.167 0.211 0.528 162 F N -6.953 113.173 119.950 0.293 0.000 4.174 162 F HA 0.086 4.900 4.527 0.265 -0.128 0.313 162 F C -2.793 173.166 175.800 0.265 0.000 0.911 162 F CA -1.109 57.052 58.000 0.268 0.000 0.783 162 F CB 0.582 39.706 39.000 0.207 0.000 1.823 162 F HN -0.187 8.631 8.300 0.863 0.000 0.455 163 Y N -3.027 116.807 120.300 -0.777 0.000 4.786 163 Y HA -0.249 3.771 4.550 -0.884 0.000 0.243 163 Y C 0.393 175.972 175.900 -0.536 0.000 1.027 163 Y CA 0.349 57.900 58.100 -0.916 0.000 2.052 163 Y CB -1.313 36.484 38.460 -1.105 0.000 1.578 163 Y HN 0.136 8.239 8.280 -0.295 0.000 0.655 164 I N -1.158 119.340 120.570 -0.119 0.000 2.353 164 I HA -0.427 3.771 4.170 0.046 0.000 0.248 164 I C 0.287 176.378 176.117 -0.043 0.000 1.119 164 I CA 2.831 64.153 61.300 0.038 0.000 1.417 164 I CB -0.513 37.623 38.000 0.226 0.000 1.078 164 I HN 0.047 8.214 8.210 0.008 0.048 0.421 165 D N -0.497 119.850 120.400 -0.089 0.000 2.224 165 D HA -0.155 4.460 4.640 -0.042 0.000 0.205 165 D C 2.332 178.526 176.300 -0.176 0.000 0.965 165 D CA 3.597 57.541 54.000 -0.094 0.000 0.852 165 D CB -0.726 40.032 40.800 -0.070 0.000 0.947 165 D HN 0.303 8.622 8.370 -0.086 0.000 0.494 166 E N -1.053 118.942 120.200 -0.341 0.000 2.051 166 E HA -0.225 3.915 4.350 -0.350 0.000 0.192 166 E C 2.434 178.885 176.600 -0.250 0.000 0.991 166 E CA 3.113 59.254 56.400 -0.431 0.000 0.799 166 E CB -0.066 29.056 29.700 -0.964 0.000 0.748 166 E HN 0.185 8.168 8.360 -0.416 0.127 0.449 167 L N -4.215 116.885 121.223 -0.205 0.000 2.179 167 L HA -0.110 4.186 4.340 -0.073 0.000 0.208 167 L C 2.083 178.934 176.870 -0.032 0.000 1.096 167 L CA 2.778 57.567 54.840 -0.086 0.000 0.779 167 L CB -1.003 41.027 42.059 -0.047 0.000 0.922 167 L HN -0.657 7.414 8.230 -0.264 0.000 0.443 168 K N -0.179 120.202 120.400 -0.031 0.000 2.097 168 K HA -0.375 3.965 4.320 0.033 0.000 0.206 168 K C 2.492 179.085 176.600 -0.012 0.000 1.049 168 K CA 3.528 59.817 56.287 0.004 0.000 0.933 168 K CB -0.426 32.082 32.500 0.012 0.000 0.717 168 K HN -0.044 8.076 8.250 -0.064 0.091 0.442 169 S N -0.274 115.401 115.700 -0.042 0.000 2.402 169 S HA -0.247 4.209 4.470 -0.023 0.000 0.229 169 S C 1.833 176.417 174.600 -0.025 0.000 1.021 169 S CA 3.553 61.730 58.200 -0.038 0.000 0.974 169 S CB -0.605 62.558 63.200 -0.061 0.000 0.800 169 S HN 0.042 8.107 8.310 -0.072 0.201 0.484 170 L N 1.485 122.691 121.223 -0.029 0.000 2.046 170 L HA -0.353 3.979 4.340 -0.014 0.000 0.208 170 L C 1.543 178.412 176.870 -0.002 0.000 1.077 170 L CA 3.191 58.022 54.840 -0.014 0.000 0.747 170 L CB -0.224 41.827 42.059 -0.013 0.000 0.896 170 L HN -0.776 7.298 8.230 -0.043 0.129 0.432 171 E N -2.863 117.341 120.200 0.008 0.000 2.106 171 E HA -0.245 4.114 4.350 0.015 0.000 0.192 171 E C 2.378 178.986 176.600 0.014 0.000 0.984 171 E CA 1.956 58.367 56.400 0.018 0.000 0.806 171 E CB -0.758 28.964 29.700 0.037 0.000 0.750 171 E HN -0.381 7.889 8.360 0.007 0.094 0.458 172 R N -2.282 118.223 120.500 0.009 0.000 2.153 172 R HA -0.064 4.283 4.340 0.012 0.000 0.218 172 R C 1.813 178.115 176.300 0.004 0.000 1.072 172 R CA 1.360 57.465 56.100 0.008 0.000 0.990 172 R CB 0.041 30.344 30.300 0.004 0.000 0.889 172 R HN -0.012 8.056 8.270 0.005 0.205 0.452 173 S N -1.567 114.134 115.700 0.001 0.000 2.361 173 S HA -0.172 4.299 4.470 0.001 0.000 0.214 173 S C -0.000 174.602 174.600 0.004 0.000 1.034 173 S CA 2.483 60.684 58.200 0.001 0.000 1.025 173 S CB 1.115 64.315 63.200 -0.000 0.000 0.996 173 S HN -0.009 8.060 8.310 -0.001 0.239 0.422 174 M N -3.564 116.039 119.600 0.004 0.000 2.981 174 M HA 0.033 4.517 4.480 0.005 0.000 0.510 174 M C -1.938 174.362 176.300 0.001 0.000 2.068 174 M CA 0.368 55.671 55.300 0.004 0.000 0.763 174 M CB 1.791 34.394 32.600 0.005 0.000 3.696 174 M HN -0.800 7.491 8.290 0.002 0.000 0.490 175 R N -2.632 117.868 120.500 -0.000 0.000 2.204 175 R HA -0.373 4.067 4.340 -0.005 -0.103 0.319 175 R C -0.384 175.908 176.300 -0.014 0.000 1.127 175 R CA 0.402 56.498 56.100 -0.007 0.000 1.046 175 R CB -2.545 27.750 30.300 -0.008 0.000 2.920 175 R HN 0.381 8.653 8.270 0.002 0.000 0.506 176 N N -2.235 116.458 118.700 -0.011 0.000 3.098 176 N HA -0.364 4.375 4.740 -0.001 0.000 0.299 176 N C -0.814 174.678 175.510 -0.030 0.000 1.141 176 N CA 0.828 53.870 53.050 -0.013 0.000 0.882 176 N CB -0.952 37.526 38.487 -0.015 0.000 0.944 176 N HN 0.379 8.755 8.380 -0.007 0.000 0.626 177 L N 2.842 124.056 121.223 -0.016 0.000 2.357 177 L HA 0.507 5.011 4.340 -0.057 -0.198 0.273 177 L C 0.374 177.251 176.870 0.012 0.000 1.080 177 L CA -0.328 54.500 54.840 -0.020 0.000 0.803 177 L CB 2.502 44.557 42.059 -0.005 0.000 1.174 177 L HN -0.284 7.945 8.230 -0.003 -0.002 0.443 178 T N 6.063 120.628 114.554 0.019 0.000 2.949 178 T HA 0.232 4.650 4.350 0.115 0.000 0.300 178 T C -2.236 172.575 174.700 0.185 0.000 0.988 178 T CA -0.381 61.788 62.100 0.114 0.000 0.993 178 T CB 1.748 70.724 68.868 0.179 0.000 0.984 178 T HN -0.123 8.083 8.240 -0.030 0.016 0.442 179 V N 7.510 127.540 119.914 0.194 0.000 2.394 179 V HA 0.656 5.197 4.120 0.279 -0.254 0.282 179 V C -1.128 175.135 176.094 0.282 0.000 1.031 179 V CA -2.257 60.189 62.300 0.242 0.000 0.881 179 V CB 2.246 34.175 31.823 0.178 0.000 0.982 179 V HN 0.279 8.562 8.190 0.155 0.000 0.451 180 K N 8.955 129.581 120.400 0.376 0.000 2.156 180 K HA 0.251 4.649 4.320 0.130 0.000 0.271 180 K C -1.595 175.085 176.600 0.133 0.000 0.995 180 K CA -1.069 55.335 56.287 0.194 0.000 0.890 180 K CB 2.110 34.588 32.500 -0.036 0.000 1.073 180 K HN -0.169 8.380 8.250 0.499 0.000 0.454 181 A N 6.626 129.483 122.820 0.062 0.000 2.341 181 A HA 0.222 4.580 4.320 0.062 0.000 0.326 181 A C -0.639 176.949 177.584 0.007 0.000 1.402 181 A CA -0.700 51.365 52.037 0.046 0.000 0.957 181 A CB -0.326 18.709 19.000 0.058 0.000 1.151 181 A HN 0.341 8.514 8.150 0.038 0.000 0.533 182 C N 3.448 122.730 119.300 -0.029 0.000 2.605 182 C HA -0.041 4.518 4.460 0.074 -0.055 0.340 182 C C -0.374 174.669 174.990 0.089 0.000 2.213 182 C CA -0.316 58.723 59.018 0.036 0.000 1.873 182 C CB 2.009 29.750 27.740 0.001 0.000 1.927 182 C HN -0.383 7.789 8.230 -0.096 0.000 0.483 183 V N -0.362 119.694 119.914 0.236 0.000 3.697 183 V HA -0.332 3.868 4.120 0.114 -0.012 0.527 183 V C -0.058 176.152 176.094 0.194 0.000 0.682 183 V CA 1.420 63.804 62.300 0.139 0.000 2.086 183 V CB -0.126 31.675 31.823 -0.037 0.000 2.493 183 V HN 0.814 9.102 8.190 0.394 0.138 0.516 184 W N 3.327 124.516 121.300 -0.185 0.000 4.705 184 W HA 0.213 4.803 4.660 -0.116 0.000 0.194 184 W C -0.707 175.780 176.519 -0.055 0.000 0.966 184 W CA 0.407 57.662 57.345 -0.151 0.000 2.145 184 W CB -0.077 29.239 29.460 -0.240 0.000 0.852 184 W HN 0.294 7.923 8.180 -0.919 0.000 0.946 185 H N -1.301 117.344 119.070 -0.708 0.000 3.549 185 H HA 0.326 4.640 4.556 -0.405 0.000 0.200 185 H C -2.305 172.456 175.328 -0.944 0.000 1.260 185 H CA -1.034 54.670 56.048 -0.574 0.000 1.307 185 H CB -0.144 29.490 29.762 -0.213 0.000 2.553 185 H HN -0.627 6.671 8.280 -1.637 0.000 0.525 186 P HA 0.117 3.929 4.420 -1.014 0.000 0.203 186 P C -0.639 176.418 177.300 -0.404 0.000 1.089 186 P CA 0.345 62.901 63.100 -0.907 0.000 0.726 186 P CB 1.874 33.061 31.700 -0.854 0.000 0.805 187 S N -4.312 111.251 115.700 -0.227 0.000 4.644 187 S HA -0.125 4.294 4.470 -0.083 0.000 0.044 187 S C -0.955 173.625 174.600 -0.033 0.000 0.859 187 S CA 0.413 58.550 58.200 -0.106 0.000 0.954 187 S CB -0.058 63.077 63.200 -0.107 0.000 0.400 187 S HN 0.002 8.184 8.310 -0.214 0.000 0.800 188 G N -0.390 108.406 108.800 -0.008 0.000 2.276 188 G HA2 -0.170 4.103 3.960 0.055 0.000 0.177 188 G HA3 -0.170 3.813 3.960 0.038 0.000 0.177 188 G C -1.802 173.133 174.900 0.058 0.000 1.017 188 G CA -0.126 44.998 45.100 0.040 0.000 0.750 188 G HN -0.235 8.039 8.290 -0.027 0.000 0.506 189 D N 0.219 120.667 120.400 0.080 0.000 2.772 189 D HA 0.144 4.834 4.640 0.083 0.000 0.326 189 D C -1.739 174.712 176.300 0.252 0.000 1.207 189 D CA -0.559 53.508 54.000 0.111 0.000 0.777 189 D CB 0.122 40.967 40.800 0.076 0.000 1.169 189 D HN -0.308 8.099 8.370 0.061 0.000 0.506 190 W N 1.219 122.525 121.300 0.009 0.000 2.554 190 W HA 0.229 4.985 4.660 0.159 0.000 0.324 190 W C -2.817 173.749 176.519 0.079 0.000 1.018 190 W CA -1.964 55.438 57.345 0.095 0.000 1.243 190 W CB 2.565 32.088 29.460 0.104 0.000 1.345 190 W HN 0.383 8.698 8.180 0.225 0.000 0.441 191 E N 6.754 126.542 120.200 -0.685 0.000 2.001 191 E HA 0.120 4.068 4.350 -0.671 0.000 0.279 191 E C -0.719 174.810 176.600 -1.785 0.000 1.045 191 E CA -0.588 55.244 56.400 -0.947 0.000 0.833 191 E CB -0.257 29.170 29.700 -0.454 0.000 1.077 191 E HN 0.272 8.580 8.360 -0.086 0.000 0.397 192 G N 3.144 111.133 108.800 -1.353 0.000 2.174 192 G HA2 -0.157 3.566 3.960 -0.510 0.000 0.070 192 G HA3 -0.157 3.239 3.960 -0.939 0.000 0.070 192 G C -2.700 171.962 174.900 -0.396 0.000 1.120 192 G CA 0.374 44.955 45.100 -0.865 0.000 1.194 192 G HN -0.192 7.514 8.290 -0.973 0.000 0.435 193 E N -3.330 117.008 120.200 0.230 0.000 3.109 193 E HA 0.056 4.581 4.350 0.291 0.000 0.280 193 E C -1.393 175.590 176.600 0.638 0.000 1.141 193 E CA 0.074 56.697 56.400 0.372 0.000 1.937 193 E CB 0.945 30.694 29.700 0.083 0.000 2.201 193 E HN 0.022 8.758 8.360 0.627 0.000 1.007 194 Q N 2.386 122.375 119.800 0.315 0.000 2.279 194 Q HA 0.015 4.477 4.340 0.237 0.021 0.256 194 Q C 0.267 176.245 176.000 -0.036 0.000 0.937 194 Q CA -0.613 55.292 55.803 0.170 0.000 0.933 194 Q CB 0.800 29.551 28.738 0.021 0.000 1.189 194 Q HN 0.078 8.458 8.270 0.184 0.000 0.417 195 G N 3.377 111.946 108.800 -0.385 0.000 2.502 195 G HA2 -0.346 1.256 3.960 -3.931 0.000 0.280 195 G HA3 -0.346 2.905 3.960 -1.182 0.000 0.280 195 G C -1.468 172.901 174.900 -0.886 0.000 0.611 195 G CA 1.066 45.181 45.100 -1.643 0.000 1.103 195 G HN 0.389 8.770 8.290 0.151 0.000 0.271 196 S N 1.934 117.133 115.700 -0.835 0.000 2.643 196 S HA -0.032 4.195 4.470 -0.405 0.000 0.278 196 S C -1.985 172.646 174.600 0.051 0.000 0.842 196 S CA -0.555 57.448 58.200 -0.328 0.000 1.149 196 S CB 0.392 63.465 63.200 -0.212 0.000 1.437 196 S HN -0.510 7.044 8.310 -1.260 0.000 0.448 197 P HA 0.194 4.688 4.420 0.124 0.000 0.235 197 P C -1.371 175.922 177.300 -0.011 0.000 1.725 197 P CA -0.582 62.547 63.100 0.049 0.000 0.894 197 P CB -1.045 30.654 31.700 -0.003 0.000 1.704 198 I N -2.282 118.288 120.570 0.001 0.000 5.684 198 I HA -0.486 3.663 4.170 -0.035 0.000 0.129 198 I C -0.077 176.003 176.117 -0.062 0.000 1.816 198 I CA 0.034 61.306 61.300 -0.046 0.000 2.039 198 I CB -1.111 36.838 38.000 -0.085 0.000 3.376 198 I HN -0.111 8.032 8.210 0.070 0.109 0.170 199 D N -0.150 120.215 120.400 -0.059 0.000 2.149 199 D HA -0.445 4.158 4.640 -0.062 0.000 0.198 199 D C 1.496 177.754 176.300 -0.071 0.000 0.990 199 D CA 3.449 57.410 54.000 -0.065 0.000 0.839 199 D CB -0.227 40.532 40.800 -0.068 0.000 0.948 199 D HN 0.275 8.558 8.370 -0.051 0.056 0.460 200 A N -1.177 121.596 122.820 -0.078 0.000 1.908 200 A HA -0.238 4.035 4.320 -0.079 0.000 0.218 200 A C 1.805 179.331 177.584 -0.096 0.000 1.181 200 A CA 2.917 54.902 52.037 -0.087 0.000 0.627 200 A CB -0.513 18.427 19.000 -0.099 0.000 0.818 200 A HN 0.201 8.290 8.150 -0.077 0.015 0.445 201 L N -2.089 119.072 121.223 -0.102 0.000 2.141 201 L HA -0.164 4.298 4.340 -0.122 -0.195 0.209 201 L C 2.176 178.997 176.870 -0.082 0.000 1.094 201 L CA 1.739 56.517 54.840 -0.103 0.000 0.763 201 L CB -1.252 40.751 42.059 -0.093 0.000 0.908 201 L HN -0.627 7.545 8.230 -0.097 0.000 0.437 202 R N -1.904 118.551 120.500 -0.074 0.000 2.091 202 R HA -0.442 3.861 4.340 -0.061 0.000 0.238 202 R C 2.618 178.884 176.300 -0.056 0.000 1.136 202 R CA 4.061 60.124 56.100 -0.062 0.000 0.959 202 R CB -0.307 29.958 30.300 -0.058 0.000 0.856 202 R HN -0.575 7.529 8.270 -0.075 0.121 0.437 203 E N -1.740 118.424 120.200 -0.059 0.000 2.152 203 E HA -0.263 4.061 4.350 -0.044 0.000 0.192 203 E C 2.291 178.858 176.600 -0.055 0.000 0.983 203 E CA 2.538 58.907 56.400 -0.052 0.000 0.818 203 E CB -0.527 29.142 29.700 -0.051 0.000 0.758 203 E HN -0.620 7.694 8.360 -0.064 0.007 0.467 204 D N 0.027 120.385 120.400 -0.070 0.000 2.123 204 D HA -0.264 4.334 4.640 -0.071 0.000 0.196 204 D C 2.402 178.661 176.300 -0.069 0.000 0.992 204 D CA 3.291 57.242 54.000 -0.081 0.000 0.833 204 D CB -0.118 40.611 40.800 -0.117 0.000 0.954 204 D HN -0.592 7.632 8.370 -0.078 0.100 0.455 205 L N -3.141 118.045 121.223 -0.062 0.000 2.017 205 L HA -0.188 4.123 4.340 -0.049 0.000 0.208 205 L C 2.378 179.227 176.870 -0.035 0.000 1.073 205 L CA 2.468 57.279 54.840 -0.047 0.000 0.745 205 L CB -0.632 41.403 42.059 -0.040 0.000 0.894 205 L HN -0.673 7.518 8.230 -0.065 0.000 0.432 206 E N -2.333 117.846 120.200 -0.035 0.000 2.265 206 E HA -0.239 4.097 4.350 -0.023 0.000 0.196 206 E C 1.297 177.883 176.600 -0.024 0.000 0.996 206 E CA 2.284 58.668 56.400 -0.027 0.000 0.832 206 E CB 0.319 30.002 29.700 -0.028 0.000 0.756 206 E HN -0.717 7.550 8.360 -0.041 0.069 0.491 207 S N -0.687 114.996 115.700 -0.029 0.000 2.356 207 S HA 0.044 4.504 4.470 -0.017 0.000 0.179 207 S C -1.069 173.521 174.600 -0.017 0.000 0.940 207 S CA 0.777 58.964 58.200 -0.023 0.000 0.955 207 S CB 1.470 64.654 63.200 -0.026 0.000 0.861 207 S HN -0.230 7.881 8.310 -0.037 0.177 0.527 208 S N -0.405 115.282 115.700 -0.022 0.000 2.322 208 S HA 0.049 4.510 4.470 -0.014 0.000 0.321 208 S C -1.955 172.641 174.600 -0.007 0.000 0.712 208 S CA 0.806 59.000 58.200 -0.010 0.000 0.793 208 S CB 0.743 63.946 63.200 0.005 0.000 1.162 208 S HN -0.303 7.987 8.310 -0.034 0.000 0.475 209 D N 2.238 122.619 120.400 -0.033 0.000 3.809 209 D HA -0.031 4.670 4.640 0.101 0.000 0.144 209 D C -1.926 174.177 176.300 -0.329 0.000 1.034 209 D CA 1.059 55.026 54.000 -0.055 0.000 1.724 209 D CB 0.073 40.844 40.800 -0.049 0.000 0.877 209 D HN 0.194 8.538 8.370 -0.043 0.000 0.858 210 A N -2.991 119.749 122.820 -0.134 0.000 0.737 210 A HA -0.027 4.273 4.320 -0.033 0.000 0.183 210 A C -2.833 174.716 177.584 -0.059 0.000 0.830 210 A CA 0.352 52.298 52.037 -0.151 0.000 0.475 210 A CB 0.411 19.236 19.000 -0.292 0.000 0.416 210 A HN -0.389 7.750 8.150 -0.018 0.000 0.326 211 N N 1.363 120.043 118.700 -0.033 0.000 2.518 211 N HA 0.085 4.806 4.740 -0.031 0.000 0.301 211 N C -1.691 173.783 175.510 -0.061 0.000 0.692 211 N CA 1.899 54.928 53.050 -0.036 0.000 0.847 211 N CB -0.477 37.997 38.487 -0.021 0.000 2.321 211 N HN 0.147 8.516 8.380 -0.019 0.000 1.339 212 P HA -0.132 4.466 4.420 -0.038 -0.201 0.213 212 P C -1.331 175.913 177.300 -0.094 0.000 1.170 212 P CA 2.247 65.321 63.100 -0.043 0.000 0.902 212 P CB 0.343 32.040 31.700 -0.006 0.000 0.789 213 D N -3.176 117.152 120.400 -0.119 0.000 2.473 213 D HA 0.339 4.991 4.640 -0.241 -0.156 0.253 213 D C -2.163 173.813 176.300 -0.539 0.000 1.233 213 D CA -0.898 52.988 54.000 -0.191 0.000 0.908 213 D CB 2.592 43.453 40.800 0.102 0.000 1.170 213 D HN -0.058 8.257 8.370 -0.092 0.000 0.558 214 I N 2.558 122.837 120.570 -0.484 0.000 2.436 214 I HA 0.333 4.209 4.170 -0.490 0.000 0.289 214 I C -2.304 173.797 176.117 -0.026 0.000 1.010 214 I CA -1.462 59.634 61.300 -0.341 0.000 1.098 214 I CB 3.576 41.567 38.000 -0.016 0.000 1.266 214 I HN -0.233 7.690 8.210 -0.479 0.000 0.434 215 Y N 6.620 127.017 120.300 0.161 0.000 2.341 215 Y HA 0.689 5.636 4.550 0.157 -0.303 0.338 215 Y C -1.353 174.881 175.900 0.555 0.000 0.965 215 Y CA -3.711 54.492 58.100 0.172 0.000 1.108 215 Y CB 1.476 39.705 38.460 -0.385 0.000 1.180 215 Y HN 1.126 9.242 8.280 -0.273 0.000 0.458 216 L N 2.408 124.060 121.223 0.714 0.000 2.343 216 L HA 0.457 5.239 4.340 0.542 -0.117 0.278 216 L C -1.444 175.777 176.870 0.584 0.000 0.996 216 L CA -0.852 54.347 54.840 0.598 0.000 0.831 216 L CB 2.856 45.193 42.059 0.464 0.000 1.232 216 L HN 0.223 8.829 8.230 0.627 0.000 0.413 217 C N 3.305 122.869 119.300 0.439 0.000 2.408 217 C HA 0.281 4.983 4.460 0.402 0.000 0.321 217 C C -1.034 173.961 174.990 0.008 0.000 1.245 217 C CA -1.264 57.950 59.018 0.327 0.000 1.523 217 C CB 2.048 29.943 27.740 0.258 0.000 2.178 217 C HN 0.935 9.241 8.230 0.315 0.114 0.488 218 G N 3.786 112.463 108.800 -0.205 0.000 2.260 218 G HA2 -0.152 2.988 3.960 -1.561 0.000 0.250 218 G HA3 -0.152 3.509 3.960 -0.498 0.000 0.250 218 G C -3.073 171.588 174.900 -0.399 0.000 1.340 218 G CA -0.340 44.355 45.100 -0.675 0.000 1.056 218 G HN -0.650 7.661 8.290 0.035 0.000 0.471 219 P HA 0.396 4.819 4.420 -0.201 -0.124 0.270 219 P C -0.793 176.421 177.300 -0.143 0.000 1.221 219 P CA -1.298 61.668 63.100 -0.223 0.000 0.788 219 P CB -0.935 30.628 31.700 -0.228 0.000 0.904 220 P HA -0.066 4.335 4.420 -0.032 0.000 0.234 220 P C 1.160 178.408 177.300 -0.087 0.000 1.167 220 P CA 1.276 64.339 63.100 -0.062 0.000 0.763 220 P CB 0.183 31.858 31.700 -0.041 0.000 0.835 221 G N -1.012 107.712 108.800 -0.127 0.000 2.404 221 G HA2 -0.299 3.722 3.960 -0.125 0.000 0.215 221 G HA3 -0.299 3.551 3.960 -0.183 0.000 0.215 221 G C 0.864 175.664 174.900 -0.167 0.000 1.174 221 G CA 1.818 46.828 45.100 -0.150 0.000 0.780 221 G HN 0.333 8.462 8.290 -0.142 0.076 0.537 222 M N 1.609 121.104 119.600 -0.174 0.000 2.267 222 M HA -0.233 4.166 4.480 -0.184 -0.029 0.263 222 M C 1.442 177.614 176.300 -0.214 0.000 1.063 222 M CA 2.478 57.676 55.300 -0.169 0.000 1.090 222 M CB -1.305 31.226 32.600 -0.115 0.000 1.392 222 M HN -0.666 7.516 8.290 -0.179 0.000 0.422 223 I N 0.247 120.716 120.570 -0.167 0.000 2.333 223 I HA -0.422 3.517 4.170 -0.385 0.000 0.246 223 I C 1.627 177.613 176.117 -0.219 0.000 1.106 223 I CA 4.067 65.248 61.300 -0.199 0.000 1.411 223 I CB 0.041 38.035 38.000 -0.010 0.000 1.082 223 I HN -0.365 7.625 8.210 -0.120 0.148 0.420 224 D N -0.022 120.292 120.400 -0.144 0.000 2.103 224 D HA -0.212 4.372 4.640 -0.092 0.000 0.199 224 D C 2.306 178.524 176.300 -0.136 0.000 0.978 224 D CA 3.638 57.569 54.000 -0.114 0.000 0.829 224 D CB -0.088 40.663 40.800 -0.082 0.000 0.981 224 D HN -0.144 8.051 8.370 -0.126 0.099 0.464 225 A N -1.022 121.707 122.820 -0.151 0.000 1.874 225 A HA -0.078 4.175 4.320 -0.112 0.000 0.214 225 A C 1.623 179.105 177.584 -0.170 0.000 1.189 225 A CA 3.021 54.974 52.037 -0.140 0.000 0.615 225 A CB -0.591 18.329 19.000 -0.134 0.000 0.830 225 A HN 0.646 8.590 8.150 -0.157 0.111 0.443 226 A N -1.483 121.198 122.820 -0.232 0.000 1.940 226 A HA -0.336 3.871 4.320 -0.188 0.000 0.219 226 A C 1.290 178.679 177.584 -0.326 0.000 1.176 226 A CA 3.089 54.961 52.037 -0.274 0.000 0.631 226 A CB -1.019 17.775 19.000 -0.343 0.000 0.814 226 A HN -0.259 7.651 8.150 -0.239 0.096 0.446 227 C N -2.913 116.142 119.300 -0.408 0.000 2.435 227 C HA -0.346 3.941 4.460 -0.289 0.000 0.279 227 C C 1.679 176.598 174.990 -0.119 0.000 1.321 227 C CA 3.309 62.156 59.018 -0.286 0.000 1.752 227 C CB 0.053 27.658 27.740 -0.225 0.000 1.959 227 C HN -0.494 7.474 8.230 -0.419 0.011 0.500 228 E N 0.535 120.665 120.200 -0.116 0.000 2.046 228 E HA -0.327 3.993 4.350 -0.050 0.000 0.190 228 E C 2.227 178.791 176.600 -0.061 0.000 0.982 228 E CA 3.219 59.577 56.400 -0.071 0.000 0.800 228 E CB 0.090 29.748 29.700 -0.069 0.000 0.756 228 E HN -0.707 7.429 8.360 -0.149 0.134 0.449 229 L N -2.327 118.850 121.223 -0.076 0.000 2.083 229 L HA -0.318 3.991 4.340 -0.052 0.000 0.209 229 L C 2.190 179.033 176.870 -0.045 0.000 1.083 229 L CA 3.260 58.063 54.840 -0.061 0.000 0.752 229 L CB -0.750 41.266 42.059 -0.071 0.000 0.899 229 L HN 0.096 8.266 8.230 -0.100 0.000 0.433 230 V N -0.951 118.936 119.914 -0.044 0.000 2.307 230 V HA -0.552 3.559 4.120 -0.015 0.000 0.245 230 V C 2.008 178.100 176.094 -0.004 0.000 1.045 230 V CA 4.941 67.233 62.300 -0.014 0.000 1.024 230 V CB -0.333 31.500 31.823 0.016 0.000 0.651 230 V HN -0.610 7.526 8.190 -0.068 0.014 0.449 231 R N -2.214 118.283 120.500 -0.005 0.000 2.115 231 R HA -0.250 4.095 4.340 0.008 0.000 0.226 231 R C 2.068 178.363 176.300 -0.008 0.000 1.100 231 R CA 2.800 58.900 56.100 0.001 0.000 0.980 231 R CB -0.065 30.237 30.300 0.004 0.000 0.875 231 R HN -0.638 7.624 8.270 -0.015 0.000 0.445 232 S N -1.222 114.468 115.700 -0.017 0.000 2.377 232 S HA -0.110 4.351 4.470 -0.015 0.000 0.223 232 S C 1.161 175.751 174.600 -0.017 0.000 1.030 232 S CA 2.392 60.581 58.200 -0.018 0.000 0.970 232 S CB 0.381 63.566 63.200 -0.026 0.000 0.830 232 S HN 0.095 8.185 8.310 -0.023 0.206 0.473 233 R N -1.681 118.808 120.500 -0.019 0.000 2.054 233 R HA -0.030 4.299 4.340 -0.018 0.000 0.223 233 R C 1.003 177.296 176.300 -0.012 0.000 1.176 233 R CA 1.932 58.021 56.100 -0.018 0.000 0.934 233 R CB 0.817 31.103 30.300 -0.023 0.000 0.828 233 R HN 0.025 8.169 8.270 -0.022 0.113 0.441 234 G N -3.346 105.448 108.800 -0.010 0.000 3.511 234 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.218 234 G HA3 -0.196 3.761 3.960 -0.006 0.000 0.218 234 G C -0.398 174.500 174.900 -0.003 0.000 1.001 234 G CA -0.489 44.608 45.100 -0.005 0.000 0.877 234 G HN -0.495 7.788 8.290 -0.011 0.000 0.450 235 I N 3.922 124.488 120.570 -0.007 0.000 3.841 235 I HA -0.177 3.988 4.170 -0.008 0.000 0.304 235 I C -2.465 173.652 176.117 0.001 0.000 1.204 235 I CA -0.361 60.935 61.300 -0.007 0.000 1.746 235 I CB -0.029 37.963 38.000 -0.013 0.000 1.588 235 I HN 0.001 8.205 8.210 -0.011 0.000 0.744 236 P HA 0.080 4.505 4.420 0.009 0.000 0.280 236 P C -1.677 175.620 177.300 -0.006 0.000 1.300 236 P CA -0.711 62.390 63.100 0.002 0.000 0.785 236 P CB 0.159 31.860 31.700 0.002 0.000 0.874 237 G N 2.473 111.266 108.800 -0.011 0.000 2.471 237 G HA2 0.195 4.184 3.960 -0.039 0.000 0.332 237 G HA3 0.195 4.169 3.960 -0.058 -0.049 0.332 237 G C -1.346 173.522 174.900 -0.053 0.000 1.176 237 G CA -0.795 44.280 45.100 -0.042 0.000 0.949 237 G HN -0.181 8.110 8.290 0.002 0.000 0.488 238 E N -0.214 119.943 120.200 -0.072 0.000 2.357 238 E HA 0.116 4.449 4.350 -0.027 0.000 0.202 238 E C 0.389 176.943 176.600 -0.076 0.000 0.855 238 E CA 0.788 57.161 56.400 -0.045 0.000 1.048 238 E CB 1.170 30.866 29.700 -0.006 0.000 1.037 238 E HN 0.067 8.377 8.360 -0.083 0.000 0.499 239 Q N -0.643 119.064 119.800 -0.155 0.000 2.341 239 Q HA 0.231 4.584 4.340 0.021 0.000 0.325 239 Q C -1.096 174.094 176.000 -1.351 0.000 0.920 239 Q CA -0.794 54.845 55.803 -0.274 0.000 1.065 239 Q CB 0.611 29.422 28.738 0.122 0.000 1.218 239 Q HN 0.163 8.261 8.270 -0.131 0.093 0.434 240 V N 1.258 120.525 119.914 -1.079 0.000 2.465 240 V HA -0.014 3.740 4.120 -0.973 -0.217 0.279 240 V C -0.571 174.714 176.094 -1.348 0.000 1.045 240 V CA -0.171 61.499 62.300 -1.051 0.000 0.938 240 V CB 0.649 32.237 31.823 -0.391 0.000 0.986 240 V HN -0.333 7.411 8.190 -0.598 0.087 0.467 241 F N 5.626 125.343 119.950 -0.389 0.000 2.619 241 F HA 0.313 4.352 4.527 -0.813 0.000 0.308 241 F C -1.784 173.758 175.800 -0.431 0.000 1.097 241 F CA -1.369 56.303 58.000 -0.548 0.000 0.953 241 F CB 3.140 42.026 39.000 -0.191 0.000 1.287 241 F HN 0.998 8.814 8.300 -0.618 0.113 0.446 242 F N -1.832 118.285 119.950 0.277 0.000 2.565 242 F HA 0.355 5.132 4.527 0.245 -0.103 0.313 242 F C -1.213 174.699 175.800 0.187 0.000 1.091 242 F CA -2.260 55.865 58.000 0.210 0.000 0.915 242 F CB 3.725 42.805 39.000 0.132 0.000 1.208 242 F HN 0.077 8.219 8.300 -0.264 0.000 0.453 243 E N 2.265 122.684 120.200 0.365 0.000 2.317 243 E HA 0.262 4.733 4.350 0.203 0.000 0.270 243 E C -1.776 174.933 176.600 0.182 0.000 0.885 243 E CA -2.193 54.353 56.400 0.244 0.000 0.760 243 E CB 4.055 33.900 29.700 0.241 0.000 1.227 243 E HN 0.721 9.223 8.360 0.413 0.106 0.434 244 K N 2.412 122.880 120.400 0.113 0.000 2.389 244 K HA 0.458 5.022 4.320 0.017 -0.233 0.261 244 K C -1.610 175.024 176.600 0.057 0.000 1.014 244 K CA -1.546 54.770 56.287 0.049 0.000 0.920 244 K CB -0.024 32.493 32.500 0.028 0.000 1.149 244 K HN 0.076 8.387 8.250 0.101 0.000 0.444 245 F N 4.781 124.673 119.950 -0.096 0.000 2.588 245 F HA 0.403 4.813 4.527 -0.194 0.000 0.310 245 F C -2.218 173.499 175.800 -0.138 0.000 1.082 245 F CA -1.515 56.383 58.000 -0.170 0.000 0.929 245 F CB 3.084 41.937 39.000 -0.244 0.000 1.254 245 F HN 0.816 8.961 8.300 -0.094 0.098 0.455 246 L N -3.060 118.210 121.223 0.078 0.000 0.608 246 L HA -0.367 3.994 4.340 0.034 0.000 0.356 246 L C -2.416 174.340 176.870 -0.191 0.000 1.037 246 L CA 0.382 55.185 54.840 -0.062 0.000 1.223 246 L CB -2.735 39.303 42.059 -0.035 0.000 0.050 246 L HN 0.051 8.419 8.230 0.230 0.000 0.097 247 P HA -0.018 4.348 4.420 -0.090 0.000 0.330 247 P C -0.593 176.608 177.300 -0.165 0.000 1.436 247 P CA 0.381 63.417 63.100 -0.106 0.000 0.845 247 P CB 0.268 31.940 31.700 -0.046 0.000 2.027 248 S N -2.194 113.431 115.700 -0.126 0.000 2.600 248 S HA -0.034 4.441 4.470 -0.230 -0.143 0.265 248 S C 0.808 175.292 174.600 -0.193 0.000 1.325 248 S CA 0.823 58.918 58.200 -0.175 0.000 1.002 248 S CB 1.520 64.655 63.200 -0.109 0.000 0.921 248 S HN 0.079 8.345 8.310 -0.074 0.000 0.554 249 G N -0.906 107.727 108.800 -0.278 0.000 3.033 249 G HA2 -0.225 3.654 3.960 -0.134 0.000 0.208 249 G HA3 -0.225 3.537 3.960 -0.170 0.095 0.208 249 G C -2.435 172.318 174.900 -0.244 0.000 1.006 249 G CA 0.096 45.069 45.100 -0.212 0.000 0.808 249 G HN -0.078 7.975 8.290 -0.394 0.000 0.499 250 A N 0.322 122.963 122.820 -0.298 0.000 2.320 250 A HA 0.395 4.616 4.320 -0.153 0.007 0.334 250 A C -0.346 177.073 177.584 -0.275 0.000 1.147 250 A CA -1.899 50.002 52.037 -0.227 0.000 0.820 250 A CB 1.820 20.704 19.000 -0.193 0.000 1.218 250 A HN -0.540 7.412 8.150 -0.330 0.000 0.482 251 A N 0.000 122.714 122.820 -0.177 0.000 2.254 251 A HA 0.000 4.159 4.320 -0.177 0.055 0.244 251 A CA 0.000 51.928 52.037 -0.182 0.000 0.836 251 A CB 0.000 18.935 19.000 -0.108 0.000 0.831 251 A HN 0.000 8.090 8.150 -0.100 0.000 0.486