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 2i6e_1_C DATA FIRST_RESID 16 DATA SEQUENCE PYRAGWIHFT NVAPILDSLE LPPGVTAITG VPTQXNAALL SGEVDIANVS DATA SEQUENCE AVEFIRHADT LAALPDFSVA VLGPVYSVNL FHTCPLPELR RVALTSQSAX DATA SEQUENCE SVALLEVLLR QKGLSPVLER AEGTAESLLA AGYDGVLRIG DDALREWYGV DATA SEQUENCE VGPLTPERTX TSLPHTGRGI TVTDLAQEWF DLTGHPFTFA VWAYRKDNPP DATA SEQUENCE PAALLQAXRE ARRRGIGHLA EVSQRHAEKL GLPERVVQHY LWNFRYHLEA DATA SEQUENCE PDRLGLREFA DLAVPGHAEL TF 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 16 P HA 0.000 nan 4.420 nan 0.000 0.216 16 P C 0.000 177.340 177.300 0.067 0.000 1.155 16 P CA 0.000 63.124 63.100 0.041 0.000 0.800 16 P CB 0.000 31.703 31.700 0.005 0.000 0.726 17 Y N 2.365 122.633 120.300 -0.053 0.000 2.350 17 Y HA 0.526 5.076 4.550 -0.000 0.000 0.340 17 Y C 0.559 176.400 175.900 -0.099 0.000 1.006 17 Y CA -0.012 58.047 58.100 -0.068 0.000 1.166 17 Y CB 0.988 39.409 38.460 -0.065 0.000 1.168 17 Y HN 0.175 nan 8.280 nan 0.000 0.502 18 R N 3.449 123.725 120.500 -0.373 0.000 2.604 18 R HA 0.858 5.198 4.340 -0.000 0.000 0.287 18 R C -1.153 174.876 176.300 -0.452 0.000 0.970 18 R CA -0.896 55.010 56.100 -0.324 0.000 0.946 18 R CB 1.561 31.701 30.300 -0.265 0.000 1.127 18 R HN 0.668 nan 8.270 nan 0.000 0.473 19 A N 0.699 123.224 122.820 -0.492 0.000 2.414 19 A HA 0.714 5.034 4.320 -0.000 0.000 0.306 19 A C -0.482 176.662 177.584 -0.733 0.000 1.054 19 A CA -0.839 50.734 52.037 -0.774 0.000 0.724 19 A CB 1.863 20.027 19.000 -1.394 0.000 1.267 19 A HN 0.768 nan 8.150 nan 0.000 0.418 20 G N 1.101 109.577 108.800 -0.540 0.000 2.873 20 G HA2 0.503 4.463 3.960 -0.000 0.000 0.340 20 G HA3 0.503 4.463 3.960 -0.000 0.000 0.340 20 G C -0.565 174.301 174.900 -0.058 0.000 1.171 20 G CA -0.376 44.560 45.100 -0.273 0.000 1.113 20 G HN 0.622 nan 8.290 nan 0.000 0.471 21 W N 2.048 123.267 121.300 -0.134 0.000 2.376 21 W HA 0.568 5.228 4.660 -0.000 0.000 0.322 21 W C 0.120 176.407 176.519 -0.387 0.000 1.160 21 W CA -1.061 56.119 57.345 -0.274 0.000 1.218 21 W CB 1.881 31.127 29.460 -0.357 0.000 1.205 21 W HN 0.115 nan 8.180 nan 0.000 0.559 22 I N 3.846 124.266 120.570 -0.249 0.000 2.390 22 I HA 0.060 4.230 4.170 -0.000 0.000 0.283 22 I C 0.138 175.892 176.117 -0.605 0.000 1.016 22 I CA -0.897 60.119 61.300 -0.474 0.000 1.151 22 I CB 0.794 38.364 38.000 -0.716 0.000 1.293 22 I HN 0.428 nan 8.210 nan 0.000 0.458 23 H N 7.057 125.997 119.070 -0.216 0.000 4.160 23 H HA 0.121 4.677 4.556 -0.000 0.000 0.191 23 H C -0.090 175.211 175.328 -0.046 0.000 1.546 23 H CA 0.220 56.214 56.048 -0.091 0.000 1.415 23 H CB -0.632 29.142 29.762 0.019 0.000 1.703 23 H HN 0.368 nan 8.280 nan 0.000 0.771 24 F N 0.318 120.295 119.950 0.044 0.000 2.553 24 F HA -0.095 4.432 4.527 -0.000 0.000 0.356 24 F C 2.087 177.902 175.800 0.024 0.000 1.142 24 F CA -0.271 57.745 58.000 0.028 0.000 1.322 24 F CB 0.874 39.852 39.000 -0.037 0.000 1.126 24 F HN 0.188 nan 8.300 nan 0.000 0.599 25 T N 0.651 115.360 114.554 0.258 0.000 2.665 25 T HA -0.276 4.074 4.350 -0.000 0.000 0.268 25 T C 1.536 176.273 174.700 0.062 0.000 1.035 25 T CA 1.856 64.021 62.100 0.109 0.000 1.151 25 T CB -0.468 68.500 68.868 0.166 0.000 0.862 25 T HN 0.639 nan 8.240 nan 0.000 0.438 26 N N 1.327 120.073 118.700 0.077 0.000 2.609 26 N HA -0.025 4.715 4.740 -0.000 0.000 0.190 26 N C 0.941 176.370 175.510 -0.136 0.000 1.157 26 N CA 0.337 53.237 53.050 -0.250 0.000 0.918 26 N CB -0.452 37.432 38.487 -1.004 0.000 0.978 26 N HN 0.307 nan 8.380 nan 0.000 0.448 27 V N -1.168 118.744 119.914 -0.003 0.000 3.528 27 V HA 0.359 4.479 4.120 -0.000 0.000 0.294 27 V C 2.064 178.137 176.094 -0.034 0.000 1.404 27 V CA 0.414 62.738 62.300 0.041 0.000 1.065 27 V CB -0.155 31.732 31.823 0.106 0.000 0.904 27 V HN 0.392 nan 8.190 nan 0.000 0.435 28 A N 1.443 124.221 122.820 -0.070 0.000 1.917 28 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 28 A C 0.279 177.830 177.584 -0.054 0.000 1.182 28 A CA 2.157 54.144 52.037 -0.083 0.000 0.633 28 A CB -1.597 17.147 19.000 -0.427 0.000 0.819 28 A HN 0.507 nan 8.150 nan 0.000 0.448 29 P HA -0.086 nan 4.420 nan 0.000 0.221 29 P C 1.102 178.287 177.300 -0.192 0.000 1.145 29 P CA 0.896 63.920 63.100 -0.127 0.000 0.795 29 P CB 0.005 31.596 31.700 -0.183 0.000 0.775 30 I N -2.263 118.157 120.570 -0.250 0.000 2.685 30 I HA -0.049 4.121 4.170 -0.000 0.000 0.251 30 I C 1.998 178.006 176.117 -0.182 0.000 1.102 30 I CA 0.802 61.953 61.300 -0.249 0.000 1.442 30 I CB -0.334 37.470 38.000 -0.326 0.000 1.194 30 I HN -0.179 nan 8.210 nan 0.000 0.448 31 L N 0.137 121.277 121.223 -0.138 0.000 2.307 31 L HA -0.039 4.301 4.340 -0.000 0.000 0.211 31 L C 1.859 178.757 176.870 0.047 0.000 1.099 31 L CA 0.530 55.310 54.840 -0.099 0.000 0.816 31 L CB -0.593 41.388 42.059 -0.130 0.000 0.952 31 L HN 0.170 nan 8.230 nan 0.000 0.455 32 D N 0.763 121.206 120.400 0.071 0.000 2.126 32 D HA -0.200 4.440 4.640 -0.000 0.000 0.190 32 D C 2.079 178.409 176.300 0.051 0.000 1.001 32 D CA 2.034 56.090 54.000 0.093 0.000 0.841 32 D CB -0.006 40.875 40.800 0.135 0.000 0.949 32 D HN 0.306 nan 8.370 nan 0.000 0.446 33 S N -0.532 115.184 115.700 0.027 0.000 2.582 33 S HA 0.142 4.611 4.470 -0.000 0.000 0.234 33 S C 0.462 175.072 174.600 0.017 0.000 0.961 33 S CA -0.649 57.561 58.200 0.016 0.000 0.953 33 S CB -0.198 63.002 63.200 0.001 0.000 0.800 33 S HN 0.104 nan 8.310 nan 0.000 0.471 34 L N 2.898 124.136 121.223 0.025 0.000 2.513 34 L HA 0.308 4.648 4.340 -0.000 0.000 0.272 34 L C -0.217 176.693 176.870 0.068 0.000 1.187 34 L CA 0.726 55.587 54.840 0.035 0.000 0.895 34 L CB 0.075 42.160 42.059 0.043 0.000 1.147 34 L HN 0.250 nan 8.230 nan 0.000 0.483 35 E N 5.866 126.097 120.200 0.051 0.000 2.073 35 E HA 0.299 4.648 4.350 -0.000 0.000 0.269 35 E C -0.826 175.812 176.600 0.062 0.000 0.917 35 E CA -0.506 55.924 56.400 0.051 0.000 0.757 35 E CB 0.985 30.701 29.700 0.028 0.000 1.111 35 E HN 0.585 nan 8.360 nan 0.000 0.410 36 L N 5.181 126.454 121.223 0.083 0.000 2.499 36 L HA 0.155 4.495 4.340 -0.000 0.000 0.273 36 L C -1.904 174.993 176.870 0.046 0.000 1.195 36 L CA -1.522 53.367 54.840 0.083 0.000 0.882 36 L CB -0.191 41.921 42.059 0.088 0.000 1.133 36 L HN 0.248 nan 8.230 nan 0.000 0.483 37 P HA 0.187 nan 4.420 nan 0.000 0.273 37 P C -2.488 174.820 177.300 0.014 0.000 1.250 37 P CA -0.999 62.109 63.100 0.014 0.000 0.793 37 P CB 0.008 31.706 31.700 -0.003 0.000 1.011 38 P HA 0.193 nan 4.420 nan 0.000 0.275 38 P C 0.465 177.769 177.300 0.007 0.000 1.228 38 P CA 0.631 63.735 63.100 0.006 0.000 0.786 38 P CB 0.277 31.978 31.700 0.002 0.000 0.927 39 G N 0.633 109.440 108.800 0.011 0.000 2.149 39 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.235 39 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.235 39 G C -0.286 174.637 174.900 0.040 0.000 1.018 39 G CA 0.067 45.178 45.100 0.018 0.000 0.728 39 G HN 0.765 nan 8.290 nan 0.000 0.508 40 V N 0.111 120.047 119.914 0.037 0.000 2.610 40 V HA 0.858 4.978 4.120 -0.000 0.000 0.298 40 V C 0.016 176.117 176.094 0.012 0.000 1.067 40 V CA 0.761 63.095 62.300 0.057 0.000 0.894 40 V CB 1.847 33.721 31.823 0.084 0.000 1.015 40 V HN 1.224 nan 8.190 nan 0.000 0.432 41 T N 3.625 118.161 114.554 -0.030 0.000 2.948 41 T HA 0.977 5.327 4.350 -0.000 0.000 0.285 41 T C -0.040 174.572 174.700 -0.148 0.000 1.019 41 T CA -0.350 61.712 62.100 -0.063 0.000 1.013 41 T CB 1.943 70.774 68.868 -0.062 0.000 1.117 41 T HN 2.100 nan 8.240 nan 0.000 0.533 42 A N 0.948 123.681 122.820 -0.146 0.000 2.520 42 A HA 0.795 5.115 4.320 -0.000 0.000 0.298 42 A C -0.546 176.951 177.584 -0.146 0.000 1.051 42 A CA -1.123 50.757 52.037 -0.261 0.000 0.690 42 A CB 0.956 19.768 19.000 -0.312 0.000 1.281 42 A HN 1.235 nan 8.150 nan 0.000 0.402 43 I N -1.537 118.927 120.570 -0.177 0.000 3.445 43 I HA 0.962 5.132 4.170 -0.000 0.000 0.303 43 I C -0.219 175.874 176.117 -0.040 0.000 1.129 43 I CA -0.826 60.428 61.300 -0.078 0.000 0.989 43 I CB 1.990 39.938 38.000 -0.087 0.000 1.314 43 I HN 0.634 nan 8.210 nan 0.000 0.488 44 T N -0.761 113.791 114.554 -0.002 0.000 2.754 44 T HA 0.863 5.213 4.350 -0.000 0.000 0.296 44 T C -0.585 174.107 174.700 -0.013 0.000 1.205 44 T CA 0.002 62.111 62.100 0.014 0.000 1.009 44 T CB 1.664 70.594 68.868 0.104 0.000 1.368 44 T HN 1.460 nan 8.240 nan 0.000 0.509 45 G N -0.006 108.777 108.800 -0.027 0.000 2.360 45 G HA2 0.446 4.406 3.960 -0.000 0.000 0.276 45 G HA3 0.446 4.406 3.960 -0.000 0.000 0.276 45 G C -0.790 174.086 174.900 -0.039 0.000 1.256 45 G CA 0.104 45.189 45.100 -0.026 0.000 0.890 45 G HN 1.571 nan 8.290 nan 0.000 0.486 46 V N -0.989 118.914 119.914 -0.018 0.000 2.743 46 V HA 0.658 4.778 4.120 -0.000 0.000 0.301 46 V C -1.085 175.012 176.094 0.004 0.000 1.057 46 V CA -1.102 61.198 62.300 -0.001 0.000 1.006 46 V CB 1.387 33.222 31.823 0.021 0.000 1.024 46 V HN 0.499 nan 8.190 nan 0.000 0.473 47 P HA -0.143 nan 4.420 nan 0.000 0.215 47 P C 1.743 179.069 177.300 0.044 0.000 1.163 47 P CA 2.422 65.559 63.100 0.062 0.000 0.894 47 P CB -0.115 31.667 31.700 0.136 0.000 0.791 48 T N -1.124 113.457 114.554 0.045 0.000 2.684 48 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 48 T C 1.154 175.863 174.700 0.014 0.000 1.036 48 T CA 1.111 63.232 62.100 0.035 0.000 1.148 48 T CB -0.634 68.255 68.868 0.034 0.000 0.863 48 T HN 0.171 nan 8.240 nan 0.000 0.436 52 A N 1.465 124.263 122.820 -0.038 0.000 1.858 52 A HA 0.204 4.524 4.320 -0.000 0.000 0.216 52 A C 2.254 179.802 177.584 -0.061 0.000 1.190 52 A CA 2.679 54.686 52.037 -0.050 0.000 0.617 52 A CB -0.997 17.985 19.000 -0.029 0.000 0.827 52 A HN 0.348 nan 8.150 nan 0.000 0.443 53 A N -0.543 122.243 122.820 -0.056 0.000 1.917 53 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 53 A C 2.167 179.704 177.584 -0.078 0.000 1.182 53 A CA 1.968 53.965 52.037 -0.067 0.000 0.633 53 A CB -0.693 18.263 19.000 -0.072 0.000 0.819 53 A HN 0.745 nan 8.150 nan 0.000 0.448 54 L N -0.408 120.769 121.223 -0.076 0.000 1.994 54 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 54 L C 2.300 179.124 176.870 -0.077 0.000 1.071 54 L CA 1.823 56.620 54.840 -0.073 0.000 0.745 54 L CB -0.499 41.531 42.059 -0.049 0.000 0.892 54 L HN 0.402 nan 8.230 nan 0.000 0.431 55 L N -1.318 119.841 121.223 -0.107 0.000 2.141 55 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 55 L C 2.660 179.477 176.870 -0.088 0.000 1.094 55 L CA 1.229 55.990 54.840 -0.132 0.000 0.763 55 L CB -0.610 41.306 42.059 -0.238 0.000 0.908 55 L HN 0.372 nan 8.230 nan 0.000 0.437 56 S N -0.656 114.998 115.700 -0.075 0.000 2.357 56 S HA -0.040 4.430 4.470 -0.000 0.000 0.221 56 S C 1.522 176.091 174.600 -0.051 0.000 1.031 56 S CA 1.474 59.640 58.200 -0.056 0.000 0.982 56 S CB 0.040 63.209 63.200 -0.052 0.000 0.853 56 S HN 0.610 nan 8.310 nan 0.000 0.458 57 G N 0.165 108.928 108.800 -0.061 0.000 2.273 57 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.162 57 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.162 57 G C 0.485 175.336 174.900 -0.081 0.000 1.006 57 G CA 0.390 45.452 45.100 -0.062 0.000 0.704 57 G HN 0.419 nan 8.290 nan 0.000 0.487 58 E N -0.184 119.966 120.200 -0.084 0.000 2.216 58 E HA 0.207 4.557 4.350 -0.000 0.000 0.192 58 E C 1.012 177.533 176.600 -0.131 0.000 0.988 58 E CA 0.772 57.116 56.400 -0.093 0.000 0.834 58 E CB 0.470 30.124 29.700 -0.077 0.000 0.772 58 E HN 0.424 nan 8.360 nan 0.000 0.479 59 V N 1.724 121.550 119.914 -0.147 0.000 2.823 59 V HA 0.146 4.266 4.120 -0.000 0.000 0.312 59 V C 0.295 176.252 176.094 -0.228 0.000 1.072 59 V CA -0.576 61.601 62.300 -0.204 0.000 0.937 59 V CB 2.390 34.107 31.823 -0.176 0.000 1.013 59 V HN -0.057 nan 8.190 nan 0.000 0.430 60 D N 2.206 122.382 120.400 -0.373 0.000 2.388 60 D HA 0.308 4.948 4.640 -0.000 0.000 0.208 60 D C 0.100 176.297 176.300 -0.171 0.000 1.035 60 D CA 0.777 54.528 54.000 -0.417 0.000 0.875 60 D CB 1.997 42.139 40.800 -1.098 0.000 0.984 60 D HN 0.362 nan 8.370 nan 0.000 0.508 61 I N 0.052 120.536 120.570 -0.144 0.000 2.775 61 I HA 0.513 4.683 4.170 -0.000 0.000 0.295 61 I C -2.115 174.036 176.117 0.056 0.000 1.287 61 I CA -0.592 60.778 61.300 0.116 0.000 1.029 61 I CB 2.103 40.291 38.000 0.312 0.000 1.282 61 I HN -0.131 nan 8.210 nan 0.000 0.426 62 A N 4.795 127.733 122.820 0.197 0.000 2.605 62 A HA 0.468 4.787 4.320 -0.000 0.000 0.294 62 A C -1.640 175.954 177.584 0.016 0.000 1.062 62 A CA -0.803 51.337 52.037 0.172 0.000 0.682 62 A CB 1.364 20.378 19.000 0.023 0.000 1.278 62 A HN 0.707 nan 8.150 nan 0.000 0.410 63 N N 1.236 119.818 118.700 -0.197 0.000 2.439 63 N HA 0.373 5.113 4.740 -0.000 0.000 0.243 63 N C -0.131 175.180 175.510 -0.332 0.000 1.088 63 N CA 0.153 52.733 53.050 -0.782 0.000 0.940 63 N CB 0.970 38.729 38.487 -1.212 0.000 1.180 63 N HN 1.053 nan 8.380 nan 0.000 0.505 64 V N -0.087 119.696 119.914 -0.218 0.000 2.994 64 V HA 0.668 4.788 4.120 -0.000 0.000 0.318 64 V C 0.640 176.729 176.094 -0.009 0.000 1.085 64 V CA -1.105 61.170 62.300 -0.042 0.000 0.998 64 V CB 1.164 33.008 31.823 0.035 0.000 1.063 64 V HN 0.693 nan 8.190 nan 0.000 0.447 65 S N 2.045 117.784 115.700 0.066 0.000 2.589 65 S HA 0.489 4.959 4.470 -0.000 0.000 0.265 65 S C 1.351 176.025 174.600 0.122 0.000 1.342 65 S CA 0.118 58.368 58.200 0.084 0.000 1.005 65 S CB 1.041 64.304 63.200 0.105 0.000 0.909 65 S HN 1.930 nan 8.310 nan 0.000 0.555 66 A N 1.552 124.432 122.820 0.100 0.000 1.972 66 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 66 A C 2.093 179.794 177.584 0.196 0.000 1.169 66 A CA 1.493 53.608 52.037 0.130 0.000 0.635 66 A CB -1.209 17.747 19.000 -0.074 0.000 0.810 66 A HN 0.857 nan 8.150 nan 0.000 0.446 67 V N -0.098 119.931 119.914 0.191 0.000 2.358 67 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 67 V C 2.520 178.687 176.094 0.121 0.000 1.047 67 V CA 2.177 64.592 62.300 0.192 0.000 1.035 67 V CB -0.805 31.140 31.823 0.204 0.000 0.658 67 V HN 0.634 nan 8.190 nan 0.000 0.452 68 E N 0.494 120.788 120.200 0.158 0.000 2.085 68 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 68 E C 1.875 178.623 176.600 0.246 0.000 0.994 68 E CA 1.617 58.133 56.400 0.194 0.000 0.801 68 E CB -0.449 29.360 29.700 0.182 0.000 0.743 68 E HN 0.537 nan 8.360 nan 0.000 0.453 69 F N 0.502 120.497 119.950 0.074 0.000 2.098 69 F HA -0.010 4.517 4.527 -0.000 0.000 0.294 69 F C 1.974 177.784 175.800 0.016 0.000 1.107 69 F CA 1.390 59.420 58.000 0.050 0.000 1.234 69 F CB -0.575 38.444 39.000 0.032 0.000 1.002 69 F HN 0.031 nan 8.300 nan 0.000 0.472 70 I N 0.575 120.985 120.570 -0.268 0.000 2.163 70 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 70 I C 2.457 178.383 176.117 -0.317 0.000 1.085 70 I CA 1.616 62.664 61.300 -0.419 0.000 1.347 70 I CB -0.568 37.279 38.000 -0.255 0.000 1.044 70 I HN 0.080 nan 8.210 nan 0.000 0.408 71 R N -0.418 119.938 120.500 -0.240 0.000 2.293 71 R HA -0.114 4.225 4.340 -0.000 0.000 0.219 71 R C 0.542 176.500 176.300 -0.570 0.000 1.091 71 R CA 0.930 56.819 56.100 -0.351 0.000 1.004 71 R CB -0.231 29.855 30.300 -0.357 0.000 0.865 71 R HN 0.535 nan 8.270 nan 0.000 0.469 72 H N -1.957 117.034 119.070 -0.132 0.000 2.549 72 H HA 0.272 4.828 4.556 -0.000 0.000 0.253 72 H C 0.774 175.994 175.328 -0.180 0.000 1.170 72 H CA -0.028 55.956 56.048 -0.108 0.000 0.943 72 H CB 1.112 30.849 29.762 -0.041 0.000 1.849 72 H HN 0.119 nan 8.280 nan 0.000 0.603 73 A N 0.692 123.359 122.820 -0.255 0.000 2.178 73 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 73 A C 1.803 179.289 177.584 -0.163 0.000 1.157 73 A CA 1.630 53.450 52.037 -0.363 0.000 0.689 73 A CB -0.106 18.618 19.000 -0.461 0.000 0.787 73 A HN 0.576 nan 8.150 nan 0.000 0.465 74 D N -1.825 118.524 120.400 -0.086 0.000 2.213 74 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 74 D C 1.658 177.949 176.300 -0.016 0.000 0.961 74 D CA 1.643 55.615 54.000 -0.048 0.000 0.853 74 D CB -0.754 40.025 40.800 -0.035 0.000 0.967 74 D HN 0.303 nan 8.370 nan 0.000 0.496 75 T N -0.897 113.663 114.554 0.011 0.000 3.023 75 T HA 0.224 4.574 4.350 -0.000 0.000 0.249 75 T C 0.781 175.488 174.700 0.012 0.000 1.050 75 T CA -0.173 61.938 62.100 0.019 0.000 1.088 75 T CB -0.010 68.875 68.868 0.028 0.000 0.946 75 T HN -0.017 nan 8.240 nan 0.000 0.480 76 L N 1.490 122.726 121.223 0.021 0.000 2.334 76 L HA 0.842 5.182 4.340 -0.000 0.000 0.270 76 L C -0.214 176.670 176.870 0.024 0.000 1.018 76 L CA -1.243 53.610 54.840 0.022 0.000 0.811 76 L CB 1.846 43.985 42.059 0.134 0.000 1.271 76 L HN 0.157 nan 8.230 nan 0.000 0.443 77 A N 1.034 123.736 122.820 -0.196 0.000 2.479 77 A HA 0.943 5.263 4.320 -0.000 0.000 0.296 77 A C -1.224 176.061 177.584 -0.498 0.000 1.121 77 A CA -0.470 51.411 52.037 -0.259 0.000 0.743 77 A CB 1.873 20.622 19.000 -0.418 0.000 1.323 77 A HN 0.738 nan 8.150 nan 0.000 0.415 78 A N 0.500 123.131 122.820 -0.315 0.000 2.374 78 A HA 0.704 5.024 4.320 -0.000 0.000 0.317 78 A C -0.386 177.374 177.584 0.293 0.000 1.094 78 A CA -0.610 51.324 52.037 -0.173 0.000 0.765 78 A CB 0.598 19.284 19.000 -0.524 0.000 1.268 78 A HN 0.892 nan 8.150 nan 0.000 0.438 79 L N 2.682 124.146 121.223 0.401 0.000 2.525 79 L HA 0.098 4.438 4.340 -0.000 0.000 0.278 79 L C -0.878 176.193 176.870 0.336 0.000 1.218 79 L CA -0.927 54.160 54.840 0.413 0.000 0.878 79 L CB 0.644 42.909 42.059 0.343 0.000 1.127 79 L HN 0.654 nan 8.230 nan 0.000 0.492 80 P HA -0.119 nan 4.420 nan 0.000 0.221 80 P C 0.253 177.540 177.300 -0.021 0.000 1.150 80 P CA 1.077 64.238 63.100 0.101 0.000 0.800 80 P CB 0.174 31.949 31.700 0.126 0.000 0.787 81 D N -1.530 118.895 120.400 0.042 0.000 2.696 81 D HA 0.137 4.777 4.640 -0.000 0.000 0.269 81 D C -0.765 175.299 176.300 -0.392 0.000 1.319 81 D CA -0.632 53.287 54.000 -0.135 0.000 0.826 81 D CB -0.710 39.988 40.800 -0.169 0.000 1.086 81 D HN 0.054 nan 8.370 nan 0.000 0.481 82 F N 1.297 121.187 119.950 -0.099 0.000 2.536 82 F HA 0.443 4.970 4.527 -0.000 0.000 0.322 82 F C 0.221 176.109 175.800 0.148 0.000 1.144 82 F CA -0.452 57.475 58.000 -0.121 0.000 0.924 82 F CB 2.212 41.005 39.000 -0.345 0.000 1.181 82 F HN -0.015 nan 8.300 nan 0.000 0.438 83 S N 1.289 117.187 115.700 0.330 0.000 2.705 83 S HA 0.894 5.364 4.470 -0.000 0.000 0.280 83 S C -1.661 173.181 174.600 0.403 0.000 1.174 83 S CA -0.854 57.547 58.200 0.335 0.000 0.823 83 S CB 2.166 65.435 63.200 0.115 0.000 1.162 83 S HN 0.269 nan 8.310 nan 0.000 0.487 84 V N 0.851 120.903 119.914 0.230 0.000 2.538 84 V HA 0.773 4.893 4.120 -0.000 0.000 0.265 84 V C 0.046 176.248 176.094 0.180 0.000 0.977 84 V CA 0.194 62.576 62.300 0.136 0.000 0.852 84 V CB 0.135 31.997 31.823 0.065 0.000 1.058 84 V HN 1.281 nan 8.190 nan 0.000 0.462 85 A N 3.508 126.413 122.820 0.141 0.000 2.437 85 A HA 1.070 5.390 4.320 -0.000 0.000 0.292 85 A C -0.688 176.978 177.584 0.136 0.000 1.173 85 A CA -0.511 51.615 52.037 0.148 0.000 0.785 85 A CB 2.557 21.557 19.000 -0.001 0.000 1.351 85 A HN 1.584 nan 8.150 nan 0.000 0.431 86 V N -2.338 117.636 119.914 0.099 0.000 3.120 86 V HA 0.767 4.887 4.120 -0.000 0.000 0.303 86 V C -1.601 174.495 176.094 0.004 0.000 1.238 86 V CA -0.738 61.541 62.300 -0.035 0.000 1.008 86 V CB 1.486 33.260 31.823 -0.081 0.000 1.064 86 V HN 1.377 nan 8.190 nan 0.000 0.434 87 L N 4.192 125.363 121.223 -0.086 0.000 2.295 87 L HA 0.991 5.331 4.340 -0.000 0.000 0.281 87 L C 0.472 177.231 176.870 -0.185 0.000 1.018 87 L CA 1.618 56.414 54.840 -0.073 0.000 0.841 87 L CB 0.464 42.455 42.059 -0.112 0.000 1.218 87 L HN 2.001 nan 8.230 nan 0.000 0.424 88 G N 4.913 113.620 108.800 -0.155 0.000 2.464 88 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 88 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 88 G C -2.931 171.870 174.900 -0.166 0.000 1.186 88 G CA -0.327 44.633 45.100 -0.235 0.000 1.010 88 G HN 0.644 nan 8.290 nan 0.000 0.585 89 P HA 0.427 nan 4.420 nan 0.000 0.274 89 P C 0.446 177.427 177.300 -0.531 0.000 1.237 89 P CA 0.584 63.392 63.100 -0.486 0.000 0.793 89 P CB 1.954 33.170 31.700 -0.807 0.000 0.977 90 V N 1.727 121.329 119.914 -0.520 0.000 3.484 90 V HA 0.028 4.148 4.120 -0.000 0.000 0.252 90 V C 0.599 176.594 176.094 -0.165 0.000 1.282 90 V CA 0.452 62.540 62.300 -0.353 0.000 1.104 90 V CB -1.010 30.683 31.823 -0.217 0.000 0.868 90 V HN 0.549 nan 8.190 nan 0.000 0.457 91 Y N -0.242 119.892 120.300 -0.275 0.000 4.784 91 Y HA -0.286 4.264 4.550 -0.000 0.000 0.278 91 Y C 1.641 177.422 175.900 -0.198 0.000 0.980 91 Y CA 1.084 58.939 58.100 -0.409 0.000 1.845 91 Y CB -2.080 36.096 38.460 -0.474 0.000 1.177 91 Y HN 0.335 nan 8.280 nan 0.000 0.460 92 S N -0.909 114.819 115.700 0.047 0.000 2.559 92 S HA 0.407 4.877 4.470 -0.000 0.000 0.226 92 S C 0.188 174.740 174.600 -0.079 0.000 1.000 92 S CA 0.352 58.572 58.200 0.034 0.000 0.948 92 S CB 1.168 64.450 63.200 0.136 0.000 0.870 92 S HN 0.084 nan 8.310 nan 0.000 0.497 93 V N 3.146 122.972 119.914 -0.146 0.000 2.383 93 V HA 0.362 4.482 4.120 -0.000 0.000 0.264 93 V C -0.937 175.093 176.094 -0.106 0.000 1.001 93 V CA -0.849 61.366 62.300 -0.143 0.000 0.828 93 V CB 0.347 32.031 31.823 -0.233 0.000 1.069 93 V HN 0.286 nan 8.190 nan 0.000 0.451 94 N N 2.819 121.486 118.700 -0.056 0.000 2.361 94 N HA 0.699 5.439 4.740 -0.000 0.000 0.302 94 N C -1.056 174.413 175.510 -0.069 0.000 1.074 94 N CA -0.752 52.205 53.050 -0.155 0.000 0.850 94 N CB 2.629 40.902 38.487 -0.357 0.000 1.228 94 N HN 0.426 nan 8.380 nan 0.000 0.491 95 L N 3.218 124.377 121.223 -0.106 0.000 2.301 95 L HA 0.510 4.850 4.340 -0.000 0.000 0.278 95 L C -1.644 175.298 176.870 0.121 0.000 1.022 95 L CA -0.442 54.433 54.840 0.058 0.000 0.854 95 L CB -0.358 41.716 42.059 0.025 0.000 1.226 95 L HN 0.433 nan 8.230 nan 0.000 0.429 96 F N 5.433 125.491 119.950 0.181 0.000 2.427 96 F HA 0.486 5.013 4.527 -0.000 0.000 0.352 96 F C 0.679 176.620 175.800 0.236 0.000 1.100 96 F CA -0.023 58.084 58.000 0.178 0.000 1.191 96 F CB 0.543 39.608 39.000 0.107 0.000 1.128 96 F HN 0.581 nan 8.300 nan 0.000 0.533 97 H N -0.618 118.579 119.070 0.212 0.000 3.046 97 H HA 0.289 4.845 4.556 -0.000 0.000 0.361 97 H C -0.331 175.071 175.328 0.123 0.000 1.235 97 H CA -0.621 55.516 56.048 0.148 0.000 1.146 97 H CB 1.153 30.976 29.762 0.102 0.000 1.859 97 H HN 0.529 nan 8.280 nan 0.000 0.548 98 T N -1.299 113.341 114.554 0.143 0.000 3.039 98 T HA 0.135 4.485 4.350 -0.000 0.000 0.250 98 T C 1.130 175.886 174.700 0.094 0.000 1.052 98 T CA 0.780 62.921 62.100 0.069 0.000 1.125 98 T CB -0.674 68.242 68.868 0.080 0.000 0.908 98 T HN 0.784 nan 8.240 nan 0.000 0.473 99 C N 1.325 120.729 119.300 0.173 0.000 2.399 99 C HA 0.794 5.254 4.460 -0.000 0.000 0.348 99 C C -2.860 172.288 174.990 0.263 0.000 1.183 99 C CA -3.025 56.090 59.018 0.161 0.000 2.023 99 C CB 1.050 28.859 27.740 0.115 0.000 2.361 99 C HN 0.117 nan 8.230 nan 0.000 0.521 100 P HA 0.074 nan 4.420 nan 0.000 0.266 100 P C 1.039 178.384 177.300 0.075 0.000 1.193 100 P CA 0.193 63.390 63.100 0.160 0.000 0.770 100 P CB 0.366 32.119 31.700 0.088 0.000 0.836 101 L N 4.383 125.587 121.223 -0.032 0.000 2.021 101 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 101 L C -0.551 176.283 176.870 -0.059 0.000 1.074 101 L CA 2.283 57.032 54.840 -0.152 0.000 0.760 101 L CB -2.086 39.869 42.059 -0.174 0.000 0.889 101 L HN 0.473 nan 8.230 nan 0.000 0.433 102 P HA -0.172 nan 4.420 nan 0.000 0.221 102 P C 1.002 178.304 177.300 0.003 0.000 1.145 102 P CA 1.289 64.384 63.100 -0.008 0.000 0.795 102 P CB 0.020 31.720 31.700 0.000 0.000 0.775 103 E N -1.483 118.726 120.200 0.015 0.000 2.479 103 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 103 E C 0.010 176.629 176.600 0.030 0.000 1.049 103 E CA -0.344 56.072 56.400 0.026 0.000 0.870 103 E CB -0.145 29.579 29.700 0.039 0.000 0.944 103 E HN 0.107 nan 8.360 nan 0.000 0.492 104 L N 1.416 122.651 121.223 0.020 0.000 2.584 104 L HA -0.064 4.276 4.340 -0.000 0.000 0.272 104 L C 1.228 178.120 176.870 0.036 0.000 1.195 104 L CA 1.128 55.986 54.840 0.030 0.000 0.920 104 L CB 0.213 42.271 42.059 -0.001 0.000 1.173 104 L HN -0.002 nan 8.230 nan 0.000 0.489 105 R N 2.998 123.528 120.500 0.050 0.000 2.257 105 R HA 0.252 4.592 4.340 -0.000 0.000 0.195 105 R C -0.294 176.043 176.300 0.062 0.000 0.921 105 R CA 0.062 56.188 56.100 0.044 0.000 1.069 105 R CB 0.523 30.841 30.300 0.031 0.000 1.115 105 R HN 0.583 nan 8.270 nan 0.000 0.571 106 R N 0.305 120.864 120.500 0.098 0.000 2.510 106 R HA 0.398 4.738 4.340 -0.000 0.000 0.287 106 R C -1.506 174.961 176.300 0.279 0.000 1.084 106 R CA -0.611 55.587 56.100 0.164 0.000 0.934 106 R CB 1.704 32.077 30.300 0.121 0.000 1.201 106 R HN -0.209 nan 8.270 nan 0.000 0.431 107 V N 2.147 122.195 119.914 0.223 0.000 2.417 107 V HA 0.619 4.739 4.120 -0.000 0.000 0.291 107 V C 0.371 176.457 176.094 -0.012 0.000 1.024 107 V CA -0.764 61.618 62.300 0.138 0.000 0.861 107 V CB 1.561 33.426 31.823 0.071 0.000 0.985 107 V HN 0.949 nan 8.190 nan 0.000 0.436 108 A N 5.799 128.420 122.820 -0.332 0.000 2.340 108 A HA 0.790 5.110 4.320 -0.000 0.000 0.268 108 A C -0.488 176.942 177.584 -0.256 0.000 1.100 108 A CA -0.382 51.259 52.037 -0.659 0.000 0.803 108 A CB 0.367 18.617 19.000 -1.249 0.000 1.043 108 A HN 0.819 nan 8.150 nan 0.000 0.488 109 L N 2.671 123.786 121.223 -0.181 0.000 2.324 109 L HA 0.219 4.559 4.340 -0.000 0.000 0.274 109 L C 1.435 178.265 176.870 -0.068 0.000 1.012 109 L CA -0.371 54.423 54.840 -0.076 0.000 0.859 109 L CB 1.277 43.319 42.059 -0.029 0.000 1.224 109 L HN 0.984 nan 8.230 nan 0.000 0.429 110 T N 0.596 115.118 114.554 -0.053 0.000 2.822 110 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 110 T C 0.840 175.535 174.700 -0.009 0.000 1.064 110 T CA 1.667 63.745 62.100 -0.036 0.000 1.131 110 T CB 0.098 68.954 68.868 -0.019 0.000 0.858 110 T HN 0.779 nan 8.240 nan 0.000 0.483 111 S N 0.002 115.704 115.700 0.005 0.000 2.672 111 S HA 0.459 4.929 4.470 -0.000 0.000 0.271 111 S C -1.544 173.072 174.600 0.027 0.000 1.171 111 S CA -1.078 57.134 58.200 0.020 0.000 0.817 111 S CB 1.275 64.495 63.200 0.033 0.000 1.150 111 S HN 0.260 nan 8.310 nan 0.000 0.478 112 Q N 1.156 120.978 119.800 0.037 0.000 2.344 112 Q HA 0.539 4.879 4.340 -0.000 0.000 0.253 112 Q C -0.708 175.323 176.000 0.052 0.000 1.050 112 Q CA -0.092 55.736 55.803 0.043 0.000 0.912 112 Q CB 0.453 29.218 28.738 0.045 0.000 1.258 112 Q HN 0.731 nan 8.270 nan 0.000 0.443 113 S N 2.190 117.920 115.700 0.050 0.000 2.511 113 S HA 0.596 5.066 4.470 -0.000 0.000 0.233 113 S C -0.499 174.139 174.600 0.063 0.000 1.104 113 S CA 0.003 58.236 58.200 0.055 0.000 1.129 113 S CB 0.304 63.526 63.200 0.038 0.000 1.159 113 S HN 0.838 nan 8.310 nan 0.000 0.451 117 V N 3.647 123.600 119.914 0.065 0.000 2.287 117 V HA -0.055 4.065 4.120 -0.000 0.000 0.248 117 V C 3.226 179.378 176.094 0.097 0.000 1.053 117 V CA 2.430 64.771 62.300 0.067 0.000 1.027 117 V CB -1.467 30.392 31.823 0.061 0.000 0.646 117 V HN 0.773 nan 8.190 nan 0.000 0.447 118 A N -0.178 122.728 122.820 0.144 0.000 1.908 118 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 118 A C 2.183 179.949 177.584 0.303 0.000 1.181 118 A CA 2.299 54.474 52.037 0.230 0.000 0.627 118 A CB -0.619 18.596 19.000 0.359 0.000 0.818 118 A HN 0.459 nan 8.150 nan 0.000 0.445 119 L N -0.825 120.525 121.223 0.211 0.000 2.056 119 L HA -0.077 4.262 4.340 -0.000 0.000 0.207 119 L C 2.225 179.141 176.870 0.076 0.000 1.078 119 L CA 2.025 56.914 54.840 0.080 0.000 0.749 119 L CB -0.685 41.194 42.059 -0.300 0.000 0.901 119 L HN 0.360 nan 8.230 nan 0.000 0.433 120 L N -0.265 120.987 121.223 0.049 0.000 2.042 120 L HA -0.205 4.134 4.340 -0.000 0.000 0.210 120 L C 2.341 179.248 176.870 0.061 0.000 1.076 120 L CA 1.837 56.700 54.840 0.040 0.000 0.749 120 L CB -0.787 41.290 42.059 0.029 0.000 0.893 120 L HN 0.414 nan 8.230 nan 0.000 0.432 121 E N -1.152 119.096 120.200 0.080 0.000 2.106 121 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 121 E C 2.176 178.828 176.600 0.086 0.000 0.984 121 E CA 1.323 57.766 56.400 0.072 0.000 0.806 121 E CB -0.084 29.655 29.700 0.066 0.000 0.750 121 E HN 0.408 nan 8.360 nan 0.000 0.458 122 V N 1.207 121.203 119.914 0.137 0.000 2.427 122 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 122 V C 2.161 178.346 176.094 0.153 0.000 1.051 122 V CA 1.360 63.760 62.300 0.166 0.000 1.048 122 V CB -0.288 31.715 31.823 0.301 0.000 0.666 122 V HN 0.262 nan 8.190 nan 0.000 0.456 123 L N -1.044 120.264 121.223 0.141 0.000 2.072 123 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 123 L C 2.328 179.225 176.870 0.046 0.000 1.079 123 L CA 1.278 56.175 54.840 0.095 0.000 0.752 123 L CB -0.456 41.646 42.059 0.072 0.000 0.906 123 L HN 0.273 nan 8.230 nan 0.000 0.436 124 L N -0.698 120.549 121.223 0.039 0.000 2.027 124 L HA -0.164 4.175 4.340 -0.000 0.000 0.206 124 L C 2.830 179.713 176.870 0.020 0.000 1.074 124 L CA 1.209 56.061 54.840 0.020 0.000 0.745 124 L CB -0.479 41.592 42.059 0.019 0.000 0.898 124 L HN 0.176 nan 8.230 nan 0.000 0.433 125 R N -0.312 120.206 120.500 0.030 0.000 2.105 125 R HA -0.229 4.111 4.340 -0.000 0.000 0.239 125 R C 2.318 178.628 176.300 0.017 0.000 1.135 125 R CA 1.490 57.604 56.100 0.023 0.000 0.967 125 R CB -0.269 30.048 30.300 0.028 0.000 0.861 125 R HN 0.243 nan 8.270 nan 0.000 0.442 126 Q N 1.397 121.212 119.800 0.024 0.000 2.096 126 Q HA -0.142 4.197 4.340 -0.000 0.000 0.204 126 Q C 0.886 176.883 176.000 -0.006 0.000 0.982 126 Q CA 1.756 57.564 55.803 0.009 0.000 0.850 126 Q CB 0.123 28.868 28.738 0.012 0.000 0.901 126 Q HN 0.127 nan 8.270 nan 0.000 0.422 127 K N -1.011 119.386 120.400 -0.005 0.000 2.504 127 K HA 0.209 4.529 4.320 -0.000 0.000 0.199 127 K C 0.707 177.303 176.600 -0.008 0.000 1.028 127 K CA 0.416 56.696 56.287 -0.012 0.000 1.164 127 K CB 0.019 32.509 32.500 -0.017 0.000 0.877 127 K HN 0.445 nan 8.250 nan 0.000 0.508 128 G N 1.613 110.411 108.800 -0.003 0.000 2.205 128 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.269 128 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.269 128 G C 0.202 175.103 174.900 0.001 0.000 0.977 128 G CA 0.360 45.459 45.100 -0.001 0.000 0.652 128 G HN 0.246 nan 8.290 nan 0.000 0.539 129 L N 0.665 121.888 121.223 0.000 0.000 2.418 129 L HA 0.562 4.901 4.340 -0.000 0.000 0.265 129 L C 0.906 177.781 176.870 0.008 0.000 1.143 129 L CA 0.335 55.176 54.840 0.001 0.000 0.809 129 L CB 1.573 43.629 42.059 -0.005 0.000 1.124 129 L HN 0.376 nan 8.230 nan 0.000 0.456 130 S N 0.087 115.793 115.700 0.011 0.000 2.539 130 S HA 0.313 4.783 4.470 -0.000 0.000 0.185 130 S C -2.090 172.523 174.600 0.022 0.000 1.181 130 S CA -0.984 57.225 58.200 0.016 0.000 1.216 130 S CB -0.107 63.102 63.200 0.015 0.000 1.476 130 S HN 0.460 nan 8.310 nan 0.000 0.395 131 P HA 0.269 nan 4.420 nan 0.000 0.272 131 P C 0.115 177.442 177.300 0.045 0.000 1.230 131 P CA -0.278 62.843 63.100 0.036 0.000 0.788 131 P CB 1.027 32.750 31.700 0.039 0.000 0.949 132 V N 2.651 122.598 119.914 0.056 0.000 2.614 132 V HA 0.131 4.251 4.120 -0.000 0.000 0.291 132 V C -0.396 175.750 176.094 0.086 0.000 1.049 132 V CA -0.374 61.964 62.300 0.063 0.000 1.038 132 V CB 0.331 32.191 31.823 0.062 0.000 0.980 132 V HN 0.276 nan 8.190 nan 0.000 0.481 133 L N 7.018 128.285 121.223 0.074 0.000 2.305 133 L HA 0.608 4.947 4.340 -0.000 0.000 0.284 133 L C 0.016 176.934 176.870 0.079 0.000 1.013 133 L CA 0.084 54.967 54.840 0.072 0.000 0.819 133 L CB 1.414 43.502 42.059 0.047 0.000 1.227 133 L HN 0.727 nan 8.230 nan 0.000 0.417 134 E N 3.282 123.541 120.200 0.097 0.000 2.266 134 E HA 0.485 4.835 4.350 -0.000 0.000 0.268 134 E C -0.665 175.954 176.600 0.032 0.000 0.879 134 E CA -1.086 55.376 56.400 0.103 0.000 0.762 134 E CB 2.247 32.078 29.700 0.219 0.000 1.199 134 E HN 0.249 nan 8.360 nan 0.000 0.422 135 R N 1.280 121.800 120.500 0.033 0.000 2.389 135 R HA 0.543 4.883 4.340 -0.000 0.000 0.295 135 R C -0.551 175.750 176.300 0.002 0.000 1.075 135 R CA 0.086 56.188 56.100 0.003 0.000 1.005 135 R CB 1.150 31.461 30.300 0.019 0.000 0.987 135 R HN 0.647 nan 8.270 nan 0.000 0.452 136 A N 2.304 125.094 122.820 -0.050 0.000 2.552 136 A HA 0.599 4.919 4.320 -0.000 0.000 0.288 136 A C -1.347 176.217 177.584 -0.034 0.000 1.193 136 A CA -0.562 51.453 52.037 -0.036 0.000 0.713 136 A CB 1.904 20.819 19.000 -0.142 0.000 1.305 136 A HN 0.504 nan 8.150 nan 0.000 0.424 137 E N -1.211 118.983 120.200 -0.009 0.000 2.292 137 E HA 0.628 4.978 4.350 -0.000 0.000 0.272 137 E C -0.249 176.348 176.600 -0.006 0.000 0.881 137 E CA 0.612 57.008 56.400 -0.006 0.000 0.754 137 E CB 1.863 31.570 29.700 0.011 0.000 1.201 137 E HN 2.030 nan 8.360 nan 0.000 0.425 138 G N 1.248 110.039 108.800 -0.016 0.000 2.347 138 G HA2 0.189 4.148 3.960 -0.000 0.000 0.341 138 G HA3 0.189 4.148 3.960 -0.000 0.000 0.341 138 G C -0.339 174.535 174.900 -0.043 0.000 1.287 138 G CA -0.302 44.787 45.100 -0.018 0.000 0.984 138 G HN 0.826 nan 8.290 nan 0.000 0.526 139 T N -1.517 113.006 114.554 -0.052 0.000 2.788 139 T HA 0.659 5.009 4.350 -0.000 0.000 0.287 139 T C 1.889 176.505 174.700 -0.139 0.000 1.007 139 T CA 0.893 62.935 62.100 -0.097 0.000 1.005 139 T CB 1.343 70.157 68.868 -0.089 0.000 1.012 139 T HN 2.143 nan 8.240 nan 0.000 0.530 140 A N 0.393 123.054 122.820 -0.265 0.000 1.877 140 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 140 A C 2.304 179.782 177.584 -0.177 0.000 1.186 140 A CA 1.544 53.380 52.037 -0.335 0.000 0.620 140 A CB -1.017 17.428 19.000 -0.925 0.000 0.822 140 A HN 0.970 nan 8.150 nan 0.000 0.443 141 E N 0.203 120.304 120.200 -0.165 0.000 2.106 141 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 141 E C 2.416 179.001 176.600 -0.025 0.000 0.984 141 E CA 1.347 57.704 56.400 -0.071 0.000 0.806 141 E CB -0.176 29.484 29.700 -0.067 0.000 0.750 141 E HN 0.807 nan 8.360 nan 0.000 0.458 142 S N 1.165 116.847 115.700 -0.029 0.000 2.355 142 S HA -0.116 4.354 4.470 -0.000 0.000 0.222 142 S C 2.118 176.740 174.600 0.037 0.000 1.031 142 S CA 0.670 58.871 58.200 0.002 0.000 0.993 142 S CB -0.552 62.647 63.200 -0.003 0.000 0.859 142 S HN 0.145 nan 8.310 nan 0.000 0.453 143 L N 0.228 121.474 121.223 0.039 0.000 2.141 143 L HA 0.026 4.366 4.340 -0.000 0.000 0.209 143 L C 2.345 179.326 176.870 0.184 0.000 1.094 143 L CA 0.510 55.422 54.840 0.120 0.000 0.763 143 L CB -0.458 41.618 42.059 0.028 0.000 0.908 143 L HN 0.287 nan 8.230 nan 0.000 0.437 144 L N -0.327 120.960 121.223 0.107 0.000 2.376 144 L HA -0.001 4.339 4.340 -0.000 0.000 0.219 144 L C 2.023 178.948 176.870 0.092 0.000 1.133 144 L CA 1.209 56.122 54.840 0.121 0.000 0.816 144 L CB -1.004 41.107 42.059 0.087 0.000 0.933 144 L HN 0.126 nan 8.230 nan 0.000 0.449 145 A N -1.438 121.422 122.820 0.068 0.000 2.577 145 A HA 0.667 4.987 4.320 -0.000 0.000 0.280 145 A C 1.056 178.666 177.584 0.043 0.000 1.331 145 A CA 0.529 52.593 52.037 0.045 0.000 0.935 145 A CB -0.440 18.577 19.000 0.027 0.000 1.082 145 A HN 0.191 nan 8.150 nan 0.000 0.525 146 A N -1.691 121.166 122.820 0.061 0.000 2.709 146 A HA 0.518 4.838 4.320 -0.000 0.000 0.241 146 A C 1.136 178.697 177.584 -0.039 0.000 0.879 146 A CA 0.612 52.670 52.037 0.035 0.000 1.120 146 A CB -0.623 18.420 19.000 0.073 0.000 1.226 146 A HN 1.784 nan 8.150 nan 0.000 0.468 147 G N -1.127 107.639 108.800 -0.057 0.000 2.234 147 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.235 147 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.235 147 G C -0.007 174.754 174.900 -0.232 0.000 0.997 147 G CA 0.230 45.228 45.100 -0.170 0.000 0.623 147 G HN 0.566 nan 8.290 nan 0.000 0.514 148 Y N 1.587 121.908 120.300 0.034 0.000 2.313 148 Y HA 0.428 4.978 4.550 -0.000 0.000 0.332 148 Y C 1.340 177.275 175.900 0.059 0.000 1.071 148 Y CA -0.262 57.865 58.100 0.044 0.000 1.169 148 Y CB 1.088 39.576 38.460 0.047 0.000 1.192 148 Y HN 0.007 nan 8.280 nan 0.000 0.487 149 D N 1.878 122.411 120.400 0.223 0.000 2.194 149 D HA 0.061 4.701 4.640 -0.000 0.000 0.204 149 D C 0.714 177.144 176.300 0.217 0.000 0.964 149 D CA 0.880 54.985 54.000 0.175 0.000 0.846 149 D CB 0.418 41.297 40.800 0.130 0.000 0.962 149 D HN 0.729 nan 8.370 nan 0.000 0.490 150 G N -0.454 108.483 108.800 0.228 0.000 2.696 150 G HA2 0.508 4.468 3.960 -0.000 0.000 0.295 150 G HA3 0.508 4.468 3.960 -0.000 0.000 0.295 150 G C -1.494 173.501 174.900 0.158 0.000 1.398 150 G CA -0.380 44.851 45.100 0.219 0.000 0.920 150 G HN -0.068 nan 8.290 nan 0.000 0.492 151 V N 1.260 121.280 119.914 0.176 0.000 2.638 151 V HA 0.528 4.648 4.120 -0.000 0.000 0.306 151 V C -0.811 175.395 176.094 0.187 0.000 1.052 151 V CA -0.832 61.522 62.300 0.090 0.000 0.885 151 V CB 1.688 33.530 31.823 0.031 0.000 0.999 151 V HN 0.759 nan 8.190 nan 0.000 0.424 152 L N 6.168 127.450 121.223 0.097 0.000 2.275 152 L HA 0.677 5.017 4.340 -0.000 0.000 0.288 152 L C -0.082 176.861 176.870 0.122 0.000 1.046 152 L CA 0.266 55.177 54.840 0.118 0.000 0.805 152 L CB 0.655 42.746 42.059 0.053 0.000 1.193 152 L HN 0.638 nan 8.230 nan 0.000 0.426 153 R N 5.690 126.309 120.500 0.198 0.000 2.686 153 R HA 0.732 5.072 4.340 -0.000 0.000 0.283 153 R C -1.206 175.167 176.300 0.121 0.000 0.978 153 R CA -0.878 55.324 56.100 0.169 0.000 0.897 153 R CB 2.164 32.612 30.300 0.247 0.000 1.192 153 R HN 0.713 nan 8.270 nan 0.000 0.457 154 I N -2.062 118.545 120.570 0.060 0.000 3.042 154 I HA 0.842 5.012 4.170 -0.000 0.000 0.310 154 I C 0.502 176.617 176.117 -0.003 0.000 1.117 154 I CA -0.320 60.978 61.300 -0.004 0.000 1.003 154 I CB 2.042 40.007 38.000 -0.057 0.000 1.228 154 I HN 0.792 nan 8.210 nan 0.000 0.443 155 G N 2.547 111.318 108.800 -0.048 0.000 2.593 155 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.237 155 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.237 155 G C 0.168 175.086 174.900 0.030 0.000 1.312 155 G CA 0.464 45.551 45.100 -0.021 0.000 0.896 155 G HN 0.830 nan 8.290 nan 0.000 0.574 156 D N 0.384 120.816 120.400 0.052 0.000 2.133 156 D HA -0.078 4.562 4.640 -0.000 0.000 0.195 156 D C 2.001 178.340 176.300 0.066 0.000 0.997 156 D CA 1.746 55.772 54.000 0.044 0.000 0.840 156 D CB -0.297 40.547 40.800 0.073 0.000 0.947 156 D HN 0.473 nan 8.370 nan 0.000 0.452 157 D N 0.500 120.946 120.400 0.076 0.000 2.144 157 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 157 D C 2.048 178.428 176.300 0.133 0.000 0.984 157 D CA 1.216 55.265 54.000 0.082 0.000 0.834 157 D CB -0.244 40.589 40.800 0.055 0.000 0.955 157 D HN 0.165 nan 8.370 nan 0.000 0.465 158 A N 0.973 123.891 122.820 0.163 0.000 1.877 158 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 158 A C 2.187 179.985 177.584 0.357 0.000 1.186 158 A CA 1.048 53.262 52.037 0.295 0.000 0.620 158 A CB -0.744 18.381 19.000 0.209 0.000 0.822 158 A HN 0.227 nan 8.150 nan 0.000 0.443 159 L N -0.175 121.177 121.223 0.215 0.000 1.994 159 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 159 L C 2.479 179.575 176.870 0.377 0.000 1.071 159 L CA 2.003 56.986 54.840 0.239 0.000 0.745 159 L CB -0.621 41.402 42.059 -0.059 0.000 0.892 159 L HN 0.334 nan 8.230 nan 0.000 0.431 160 R N -0.457 120.183 120.500 0.234 0.000 2.091 160 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 160 R C 2.192 178.645 176.300 0.255 0.000 1.136 160 R CA 1.844 58.077 56.100 0.222 0.000 0.959 160 R CB -0.376 30.002 30.300 0.130 0.000 0.856 160 R HN 0.561 nan 8.270 nan 0.000 0.437 161 E N -0.603 119.752 120.200 0.258 0.000 2.106 161 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 161 E C 1.666 178.524 176.600 0.431 0.000 0.984 161 E CA 1.005 57.537 56.400 0.219 0.000 0.806 161 E CB -0.155 29.545 29.700 -0.001 0.000 0.750 161 E HN 0.407 nan 8.360 nan 0.000 0.458 162 W N 0.802 122.367 121.300 0.441 0.000 2.338 162 W HA -0.282 4.378 4.660 -0.000 0.000 0.304 162 W C 2.013 178.699 176.519 0.279 0.000 1.212 162 W CA 1.468 59.032 57.345 0.364 0.000 1.264 162 W CB -0.602 29.017 29.460 0.266 0.000 1.142 162 W HN 0.070 nan 8.180 nan 0.000 0.512 163 Y N 1.196 121.387 120.300 -0.181 0.000 2.242 163 Y HA 0.022 4.572 4.550 -0.000 0.000 0.291 163 Y C 2.494 178.213 175.900 -0.302 0.000 1.137 163 Y CA 2.172 59.951 58.100 -0.535 0.000 1.181 163 Y CB -0.911 37.434 38.460 -0.190 0.000 0.989 163 Y HN -0.001 nan 8.280 nan 0.000 0.527 164 G N -0.894 107.835 108.800 -0.119 0.000 2.432 164 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 164 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 164 G C 1.617 176.404 174.900 -0.189 0.000 1.135 164 G CA 1.362 46.370 45.100 -0.154 0.000 0.767 164 G HN 0.349 nan 8.290 nan 0.000 0.550 165 V N 0.750 120.587 119.914 -0.128 0.000 2.300 165 V HA -0.091 4.029 4.120 -0.000 0.000 0.241 165 V C 2.988 178.961 176.094 -0.203 0.000 1.034 165 V CA 1.614 63.862 62.300 -0.086 0.000 1.021 165 V CB -0.135 31.753 31.823 0.108 0.000 0.662 165 V HN 0.351 nan 8.190 nan 0.000 0.458 166 V N -0.774 118.931 119.914 -0.349 0.000 3.306 166 V HA 0.349 4.469 4.120 -0.000 0.000 0.264 166 V C 1.236 177.069 176.094 -0.434 0.000 1.149 166 V CA 0.758 62.844 62.300 -0.356 0.000 1.143 166 V CB -1.267 30.343 31.823 -0.355 0.000 0.767 166 V HN 0.349 nan 8.190 nan 0.000 0.476 167 G N 1.680 110.091 108.800 -0.648 0.000 2.553 167 G HA2 0.497 4.457 3.960 -0.000 0.000 0.278 167 G HA3 0.497 4.457 3.960 -0.000 0.000 0.278 167 G C -1.934 172.691 174.900 -0.458 0.000 1.349 167 G CA -0.469 44.179 45.100 -0.752 0.000 1.037 167 G HN 0.499 nan 8.290 nan 0.000 0.508 168 P HA 0.417 nan 4.420 nan 0.000 0.282 168 P C -1.179 176.044 177.300 -0.129 0.000 1.287 168 P CA -0.614 62.264 63.100 -0.369 0.000 0.792 168 P CB 1.394 32.989 31.700 -0.173 0.000 1.163 169 L N 0.597 121.874 121.223 0.091 0.000 2.325 169 L HA 0.556 4.896 4.340 -0.000 0.000 0.278 169 L C 0.045 176.951 176.870 0.060 0.000 1.023 169 L CA 0.020 54.924 54.840 0.107 0.000 0.811 169 L CB 1.339 43.522 42.059 0.207 0.000 1.249 169 L HN 0.664 nan 8.230 nan 0.000 0.431 170 T N 0.857 115.426 114.554 0.026 0.000 2.924 170 T HA 0.561 4.911 4.350 -0.000 0.000 0.291 170 T C -2.160 172.544 174.700 0.007 0.000 1.045 170 T CA -1.795 60.313 62.100 0.013 0.000 1.015 170 T CB 1.462 70.329 68.868 -0.001 0.000 1.103 170 T HN 0.427 nan 8.240 nan 0.000 0.496 171 P HA -0.161 nan 4.420 nan 0.000 0.217 171 P C 1.440 178.735 177.300 -0.009 0.000 1.151 171 P CA 0.964 64.061 63.100 -0.004 0.000 0.849 171 P CB 0.157 31.855 31.700 -0.004 0.000 0.787 172 E N 0.529 120.724 120.200 -0.008 0.000 2.077 172 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 172 E C 0.636 177.229 176.600 -0.011 0.000 0.989 172 E CA 0.773 57.167 56.400 -0.010 0.000 0.800 172 E CB 0.099 29.794 29.700 -0.009 0.000 0.746 172 E HN 0.305 nan 8.360 nan 0.000 0.452 173 R N 0.549 121.043 120.500 -0.009 0.000 2.720 173 R HA 0.358 4.698 4.340 -0.000 0.000 0.272 173 R C 0.374 176.665 176.300 -0.014 0.000 0.991 173 R CA -0.418 55.676 56.100 -0.010 0.000 1.010 173 R CB 1.128 31.424 30.300 -0.006 0.000 1.141 173 R HN -0.074 nan 8.270 nan 0.000 0.494 177 S N 1.151 116.898 115.700 0.078 0.000 2.559 177 S HA 0.440 4.910 4.470 -0.000 0.000 0.226 177 S C 0.509 175.122 174.600 0.021 0.000 1.000 177 S CA -0.486 57.737 58.200 0.039 0.000 0.948 177 S CB 0.189 63.398 63.200 0.016 0.000 0.870 177 S HN 0.339 nan 8.310 nan 0.000 0.497 178 L N 3.980 125.249 121.223 0.077 0.000 2.483 178 L HA 0.233 4.573 4.340 -0.000 0.000 0.276 178 L C -1.557 175.263 176.870 -0.083 0.000 1.213 178 L CA -1.046 53.817 54.840 0.039 0.000 0.843 178 L CB -0.675 41.474 42.059 0.150 0.000 1.107 178 L HN 0.112 nan 8.230 nan 0.000 0.487 179 P HA 0.101 nan 4.420 nan 0.000 0.277 179 P C -0.249 176.925 177.300 -0.211 0.000 1.276 179 P CA -0.117 62.875 63.100 -0.180 0.000 0.788 179 P CB 0.567 32.219 31.700 -0.080 0.000 1.114 180 H N -2.765 116.363 119.070 0.096 0.000 2.594 180 H HA 0.275 4.831 4.556 -0.000 0.000 0.279 180 H C -0.051 175.308 175.328 0.053 0.000 1.042 180 H CA 0.029 56.144 56.048 0.113 0.000 1.177 180 H CB 0.524 30.341 29.762 0.091 0.000 1.524 180 H HN 0.291 nan 8.280 nan 0.000 0.537 181 T N -0.262 114.347 114.554 0.091 0.000 2.896 181 T HA 0.661 5.011 4.350 -0.000 0.000 0.297 181 T C -0.189 174.509 174.700 -0.003 0.000 1.108 181 T CA -0.578 61.544 62.100 0.037 0.000 1.004 181 T CB 2.230 71.113 68.868 0.025 0.000 1.159 181 T HN 0.330 nan 8.240 nan 0.000 0.499 182 G N 0.600 109.395 108.800 -0.008 0.000 2.657 182 G HA2 0.477 4.437 3.960 -0.000 0.000 0.303 182 G HA3 0.477 4.437 3.960 -0.000 0.000 0.303 182 G C -0.571 174.319 174.900 -0.017 0.000 1.457 182 G CA -0.918 44.163 45.100 -0.030 0.000 0.982 182 G HN 0.669 nan 8.290 nan 0.000 0.583 183 R N 0.426 120.912 120.500 -0.022 0.000 3.525 183 R HA -0.233 4.107 4.340 -0.000 0.000 0.276 183 R C 1.474 177.773 176.300 -0.003 0.000 1.116 183 R CA 1.434 57.526 56.100 -0.015 0.000 0.745 183 R CB -1.470 28.819 30.300 -0.018 0.000 1.185 183 R HN 2.518 nan 8.270 nan 0.000 0.454 184 G N -0.238 108.560 108.800 -0.003 0.000 2.168 184 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 184 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 184 G C 0.199 175.097 174.900 -0.002 0.000 0.997 184 G CA 0.556 45.656 45.100 -0.000 0.000 0.708 184 G HN 0.463 nan 8.290 nan 0.000 0.520 185 I N 0.987 121.559 120.570 0.002 0.000 2.406 185 I HA 0.373 4.543 4.170 -0.000 0.000 0.290 185 I C 0.039 176.137 176.117 -0.032 0.000 0.999 185 I CA -0.617 60.689 61.300 0.010 0.000 1.124 185 I CB 2.077 40.134 38.000 0.095 0.000 1.289 185 I HN -0.022 nan 8.210 nan 0.000 0.441 186 T N 5.720 120.159 114.554 -0.192 0.000 2.767 186 T HA 0.364 4.714 4.350 -0.000 0.000 0.284 186 T C -0.142 174.419 174.700 -0.232 0.000 0.973 186 T CA -0.407 61.540 62.100 -0.254 0.000 0.996 186 T CB 1.495 70.085 68.868 -0.464 0.000 0.927 186 T HN 0.179 nan 8.240 nan 0.000 0.456 187 V N 4.632 124.515 119.914 -0.051 0.000 2.318 187 V HA 0.289 4.409 4.120 -0.000 0.000 0.271 187 V C 0.530 176.595 176.094 -0.047 0.000 1.030 187 V CA -0.633 61.585 62.300 -0.136 0.000 0.844 187 V CB 0.897 32.689 31.823 -0.051 0.000 1.015 187 V HN 0.924 nan 8.190 nan 0.000 0.460 188 T N 4.204 118.744 114.554 -0.024 0.000 2.738 188 T HA 0.154 4.504 4.350 -0.000 0.000 0.298 188 T C -0.061 174.568 174.700 -0.119 0.000 0.962 188 T CA -0.180 61.905 62.100 -0.025 0.000 0.972 188 T CB 0.463 69.367 68.868 0.061 0.000 0.928 188 T HN 0.694 nan 8.240 nan 0.000 0.474 189 D N 3.659 123.960 120.400 -0.165 0.000 2.339 189 D HA 0.093 4.733 4.640 -0.000 0.000 0.256 189 D C 1.211 177.431 176.300 -0.134 0.000 1.214 189 D CA -0.240 53.642 54.000 -0.198 0.000 0.877 189 D CB 0.850 41.478 40.800 -0.287 0.000 1.111 189 D HN 0.456 nan 8.370 nan 0.000 0.478 190 L N 3.428 124.584 121.223 -0.111 0.000 2.131 190 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 190 L C 2.407 179.236 176.870 -0.068 0.000 1.092 190 L CA 1.027 55.817 54.840 -0.083 0.000 0.759 190 L CB -0.351 41.652 42.059 -0.094 0.000 0.903 190 L HN 0.442 nan 8.230 nan 0.000 0.435 191 A N -0.422 122.376 122.820 -0.038 0.000 1.968 191 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 191 A C 2.206 179.849 177.584 0.097 0.000 1.169 191 A CA 1.408 53.466 52.037 0.035 0.000 0.638 191 A CB -0.326 18.754 19.000 0.134 0.000 0.812 191 A HN 0.362 nan 8.150 nan 0.000 0.446 192 Q N 0.041 119.840 119.800 -0.001 0.000 2.123 192 Q HA -0.115 4.225 4.340 -0.000 0.000 0.199 192 Q C 1.778 177.825 176.000 0.080 0.000 0.966 192 Q CA 1.675 57.493 55.803 0.025 0.000 0.845 192 Q CB -0.184 28.496 28.738 -0.096 0.000 0.907 192 Q HN 0.603 nan 8.270 nan 0.000 0.439 193 E N -0.517 119.703 120.200 0.033 0.000 2.106 193 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 193 E C 1.608 178.246 176.600 0.063 0.000 0.984 193 E CA 0.833 57.246 56.400 0.023 0.000 0.806 193 E CB -0.607 29.095 29.700 0.003 0.000 0.750 193 E HN 0.570 nan 8.360 nan 0.000 0.458 194 W N 0.623 121.883 121.300 -0.067 0.000 2.363 194 W HA -0.233 4.427 4.660 -0.000 0.000 0.296 194 W C 1.914 178.440 176.519 0.011 0.000 1.212 194 W CA 0.991 58.314 57.345 -0.037 0.000 1.260 194 W CB -0.406 29.006 29.460 -0.081 0.000 1.131 194 W HN 0.032 nan 8.180 nan 0.000 0.530 195 F N 2.495 122.438 119.950 -0.012 0.000 2.084 195 F HA -0.197 4.330 4.527 -0.000 0.000 0.296 195 F C 2.039 177.724 175.800 -0.191 0.000 1.111 195 F CA 2.347 60.282 58.000 -0.109 0.000 1.224 195 F CB -0.930 38.060 39.000 -0.017 0.000 0.991 195 F HN -0.285 nan 8.300 nan 0.000 0.471 196 D N 0.620 120.865 120.400 -0.259 0.000 2.190 196 D HA -0.196 4.444 4.640 -0.000 0.000 0.200 196 D C 2.178 178.232 176.300 -0.410 0.000 0.992 196 D CA 1.514 55.312 54.000 -0.336 0.000 0.854 196 D CB -0.489 40.244 40.800 -0.112 0.000 0.936 196 D HN 0.386 nan 8.370 nan 0.000 0.462 197 L N 0.207 121.187 121.223 -0.405 0.000 2.084 197 L HA -0.045 4.295 4.340 -0.000 0.000 0.202 197 L C 2.231 178.750 176.870 -0.586 0.000 1.074 197 L CA 1.921 56.505 54.840 -0.426 0.000 0.757 197 L CB -0.524 41.310 42.059 -0.374 0.000 0.918 197 L HN 0.091 nan 8.230 nan 0.000 0.444 198 T N -4.768 109.288 114.554 -0.830 0.000 2.990 198 T HA 0.308 4.658 4.350 -0.000 0.000 0.249 198 T C 1.472 175.565 174.700 -1.011 0.000 1.039 198 T CA 0.363 61.915 62.100 -0.913 0.000 1.036 198 T CB 0.102 68.295 68.868 -1.126 0.000 0.994 198 T HN 0.602 nan 8.240 nan 0.000 0.489 199 G N 1.220 109.454 108.800 -0.944 0.000 2.153 199 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.252 199 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.252 199 G C -0.090 174.729 174.900 -0.136 0.000 0.994 199 G CA 0.547 45.107 45.100 -0.900 0.000 0.698 199 G HN 0.848 nan 8.290 nan 0.000 0.521 200 H N -0.454 118.638 119.070 0.037 0.000 2.797 200 H HA 0.542 5.098 4.556 -0.000 0.000 0.362 200 H C -2.487 173.073 175.328 0.388 0.000 1.183 200 H CA -2.576 53.598 56.048 0.211 0.000 1.197 200 H CB 1.951 31.804 29.762 0.152 0.000 1.835 200 H HN 0.119 nan 8.280 nan 0.000 0.567 201 P HA 0.035 nan 4.420 nan 0.000 0.274 201 P C -1.304 176.226 177.300 0.384 0.000 1.256 201 P CA -0.098 63.195 63.100 0.322 0.000 0.795 201 P CB 0.675 32.454 31.700 0.133 0.000 1.038 202 F N 0.080 120.033 119.950 0.004 0.000 2.507 202 F HA 0.413 4.939 4.527 -0.000 0.000 0.325 202 F C -0.458 175.065 175.800 -0.461 0.000 1.116 202 F CA -0.201 57.536 58.000 -0.439 0.000 0.930 202 F CB 1.375 39.865 39.000 -0.849 0.000 1.146 202 F HN 0.031 nan 8.300 nan 0.000 0.447 203 T N 7.475 121.360 114.554 -1.116 0.000 2.753 203 T HA 0.246 4.596 4.350 -0.000 0.000 0.297 203 T C 0.656 174.906 174.700 -0.751 0.000 0.981 203 T CA 0.020 61.745 62.100 -0.625 0.000 0.956 203 T CB 0.309 68.947 68.868 -0.383 0.000 0.936 203 T HN 0.490 nan 8.240 nan 0.000 0.463 204 F N 1.927 121.797 119.950 -0.134 0.000 2.317 204 F HA 0.469 4.996 4.527 -0.000 0.000 0.293 204 F C 1.482 177.236 175.800 -0.077 0.000 1.085 204 F CA 0.026 58.005 58.000 -0.035 0.000 1.390 204 F CB 0.264 39.288 39.000 0.041 0.000 1.077 204 F HN 0.570 nan 8.300 nan 0.000 0.517 205 A N -0.540 122.338 122.820 0.096 0.000 2.587 205 A HA 0.729 5.049 4.320 -0.000 0.000 0.293 205 A C -1.044 176.539 177.584 -0.001 0.000 1.087 205 A CA -0.282 51.759 52.037 0.007 0.000 0.692 205 A CB 1.224 20.186 19.000 -0.064 0.000 1.291 205 A HN 0.086 nan 8.150 nan 0.000 0.407 206 V N -3.294 116.582 119.914 -0.065 0.000 3.156 206 V HA 0.781 4.901 4.120 -0.000 0.000 0.310 206 V C -1.244 174.812 176.094 -0.063 0.000 1.234 206 V CA -1.128 61.193 62.300 0.036 0.000 1.065 206 V CB 1.806 33.561 31.823 -0.112 0.000 1.088 206 V HN 0.923 nan 8.190 nan 0.000 0.451 207 W N 1.051 122.352 121.300 0.001 0.000 2.361 207 W HA 0.813 5.473 4.660 -0.000 0.000 0.314 207 W C -0.070 176.477 176.519 0.048 0.000 1.041 207 W CA -0.093 57.284 57.345 0.052 0.000 1.241 207 W CB 1.903 31.377 29.460 0.023 0.000 1.279 207 W HN 1.061 nan 8.180 nan 0.000 0.436 208 A N 4.894 127.809 122.820 0.158 0.000 2.354 208 A HA 0.909 5.229 4.320 -0.000 0.000 0.321 208 A C -1.710 176.001 177.584 0.211 0.000 1.125 208 A CA -0.441 51.639 52.037 0.072 0.000 0.799 208 A CB 1.657 20.670 19.000 0.021 0.000 1.293 208 A HN 0.600 nan 8.150 nan 0.000 0.452 209 Y N -1.285 119.100 120.300 0.141 0.000 2.625 209 Y HA 0.729 5.279 4.550 -0.000 0.000 0.338 209 Y C -0.371 175.597 175.900 0.113 0.000 1.123 209 Y CA -1.396 56.782 58.100 0.129 0.000 1.046 209 Y CB 0.904 39.475 38.460 0.185 0.000 1.299 209 Y HN 0.651 nan 8.280 nan 0.000 0.464 210 R N 1.822 122.463 120.500 0.235 0.000 2.438 210 R HA 0.232 4.572 4.340 -0.000 0.000 0.287 210 R C 0.533 176.974 176.300 0.235 0.000 1.077 210 R CA -0.528 55.653 56.100 0.136 0.000 1.034 210 R CB 1.027 31.388 30.300 0.102 0.000 0.993 210 R HN 0.823 nan 8.270 nan 0.000 0.459 211 K N 1.558 122.024 120.400 0.110 0.000 2.074 211 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 211 K C 1.147 177.865 176.600 0.196 0.000 1.048 211 K CA 1.938 58.322 56.287 0.162 0.000 0.926 211 K CB -0.043 32.501 32.500 0.075 0.000 0.713 211 K HN 0.679 nan 8.250 nan 0.000 0.444 212 D N -0.065 120.418 120.400 0.139 0.000 2.352 212 D HA -0.106 4.534 4.640 -0.000 0.000 0.232 212 D C -0.099 176.277 176.300 0.127 0.000 1.055 212 D CA 0.533 54.599 54.000 0.110 0.000 0.891 212 D CB -0.219 40.624 40.800 0.072 0.000 0.897 212 D HN 0.008 nan 8.370 nan 0.000 0.529 213 N N 0.286 119.101 118.700 0.191 0.000 2.700 213 N HA 0.231 4.971 4.740 -0.000 0.000 0.242 213 N C -2.980 172.656 175.510 0.209 0.000 1.541 213 N CA -1.266 51.898 53.050 0.189 0.000 0.764 213 N CB 0.964 39.555 38.487 0.174 0.000 1.319 213 N HN -0.186 nan 8.380 nan 0.000 0.518 214 P HA 0.147 nan 4.420 nan 0.000 0.268 214 P C -2.545 174.568 177.300 -0.311 0.000 1.208 214 P CA -0.539 62.396 63.100 -0.274 0.000 0.777 214 P CB 0.185 31.783 31.700 -0.171 0.000 0.875 215 P HA 0.235 nan 4.420 nan 0.000 0.276 215 P C -2.493 174.463 177.300 -0.574 0.000 1.244 215 P CA -1.796 60.885 63.100 -0.699 0.000 0.801 215 P CB -0.452 31.001 31.700 -0.411 0.000 1.006 216 P HA 0.113 nan 4.420 nan 0.000 0.276 216 P C 0.717 177.873 177.300 -0.240 0.000 1.230 216 P CA -0.158 62.719 63.100 -0.371 0.000 0.776 216 P CB 0.714 32.202 31.700 -0.353 0.000 0.888 217 A N 4.130 126.854 122.820 -0.161 0.000 1.997 217 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 217 A C 2.196 179.728 177.584 -0.087 0.000 1.172 217 A CA 2.308 54.281 52.037 -0.106 0.000 0.645 217 A CB -1.424 17.532 19.000 -0.073 0.000 0.813 217 A HN 0.614 nan 8.150 nan 0.000 0.454 218 A N -0.997 121.770 122.820 -0.089 0.000 1.972 218 A HA 0.031 4.351 4.320 -0.000 0.000 0.219 218 A C 2.084 179.633 177.584 -0.057 0.000 1.169 218 A CA 1.652 53.652 52.037 -0.061 0.000 0.635 218 A CB -0.438 18.530 19.000 -0.053 0.000 0.810 218 A HN 0.678 nan 8.150 nan 0.000 0.446 219 L N -0.311 120.861 121.223 -0.086 0.000 2.072 219 L HA 0.006 4.346 4.340 -0.000 0.000 0.205 219 L C 2.235 179.060 176.870 -0.075 0.000 1.079 219 L CA 1.436 56.242 54.840 -0.057 0.000 0.752 219 L CB -0.479 41.540 42.059 -0.067 0.000 0.906 219 L HN 0.390 nan 8.230 nan 0.000 0.436 220 L N -0.792 120.371 121.223 -0.099 0.000 2.012 220 L HA -0.261 4.078 4.340 -0.000 0.000 0.210 220 L C 2.669 179.514 176.870 -0.042 0.000 1.073 220 L CA 1.870 56.654 54.840 -0.093 0.000 0.748 220 L CB -0.787 41.235 42.059 -0.061 0.000 0.891 220 L HN 0.440 nan 8.230 nan 0.000 0.431 221 Q N 0.376 120.159 119.800 -0.029 0.000 2.096 221 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 221 Q C 1.295 177.289 176.000 -0.010 0.000 0.982 221 Q CA 1.144 56.941 55.803 -0.010 0.000 0.850 221 Q CB 0.045 28.774 28.738 -0.014 0.000 0.901 221 Q HN 0.519 nan 8.270 nan 0.000 0.422 225 E N 1.917 122.128 120.200 0.017 0.000 2.106 225 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 225 E C 1.907 178.509 176.600 0.003 0.000 0.984 225 E CA 1.352 57.758 56.400 0.009 0.000 0.806 225 E CB 0.054 29.759 29.700 0.007 0.000 0.750 225 E HN 0.345 nan 8.360 nan 0.000 0.458 226 A N 1.553 124.365 122.820 -0.013 0.000 1.898 226 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 226 A C 2.103 179.663 177.584 -0.040 0.000 1.181 226 A CA 1.515 53.536 52.037 -0.026 0.000 0.620 226 A CB -0.433 18.535 19.000 -0.053 0.000 0.819 226 A HN 0.091 nan 8.150 nan 0.000 0.442 227 R N -0.565 119.898 120.500 -0.063 0.000 2.081 227 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 227 R C 2.369 178.637 176.300 -0.053 0.000 1.131 227 R CA 1.638 57.667 56.100 -0.118 0.000 0.960 227 R CB -0.297 29.888 30.300 -0.192 0.000 0.856 227 R HN 0.499 nan 8.270 nan 0.000 0.436 228 R N 0.071 120.562 120.500 -0.014 0.000 2.091 228 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 228 R C 2.405 178.746 176.300 0.069 0.000 1.136 228 R CA 1.881 57.997 56.100 0.027 0.000 0.959 228 R CB -0.038 30.279 30.300 0.028 0.000 0.856 228 R HN 0.253 nan 8.270 nan 0.000 0.437 229 R N -1.232 119.318 120.500 0.083 0.000 2.075 229 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 229 R C 2.322 178.764 176.300 0.236 0.000 1.126 229 R CA 1.269 57.473 56.100 0.172 0.000 0.963 229 R CB -0.384 29.962 30.300 0.076 0.000 0.858 229 R HN 0.342 nan 8.270 nan 0.000 0.435 230 G N 1.126 109.988 108.800 0.103 0.000 2.418 230 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 230 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 230 G C 1.448 176.416 174.900 0.114 0.000 1.158 230 G CA 0.416 45.572 45.100 0.093 0.000 0.771 230 G HN 0.153 nan 8.290 nan 0.000 0.545 231 I N 1.225 121.840 120.570 0.076 0.000 2.394 231 I HA -0.069 4.101 4.170 -0.000 0.000 0.251 231 I C 2.881 179.044 176.117 0.078 0.000 1.136 231 I CA 0.876 62.237 61.300 0.101 0.000 1.425 231 I CB -0.161 37.894 38.000 0.092 0.000 1.079 231 I HN 0.274 nan 8.210 nan 0.000 0.425 232 G N -0.731 108.084 108.800 0.024 0.000 2.572 232 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 232 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 232 G C 0.194 174.769 174.900 -0.541 0.000 1.133 232 G CA 0.288 45.257 45.100 -0.218 0.000 0.791 232 G HN 0.493 nan 8.290 nan 0.000 0.538 233 H N -0.536 118.572 119.070 0.064 0.000 2.511 233 H HA 0.315 4.871 4.556 -0.000 0.000 0.228 233 H C 0.777 176.152 175.328 0.078 0.000 1.424 233 H CA -0.823 55.261 56.048 0.060 0.000 1.321 233 H CB 0.818 30.608 29.762 0.047 0.000 1.720 233 H HN -0.073 nan 8.280 nan 0.000 0.512 234 L N 0.549 121.862 121.223 0.150 0.000 2.083 234 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 234 L C 2.395 179.353 176.870 0.147 0.000 1.083 234 L CA 1.885 56.822 54.840 0.163 0.000 0.752 234 L CB -1.096 41.074 42.059 0.184 0.000 0.899 234 L HN 0.647 nan 8.230 nan 0.000 0.433 235 A N -0.986 121.905 122.820 0.117 0.000 1.908 235 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 235 A C 2.337 179.987 177.584 0.111 0.000 1.181 235 A CA 1.853 53.949 52.037 0.098 0.000 0.627 235 A CB -0.479 18.564 19.000 0.071 0.000 0.818 235 A HN 0.485 nan 8.150 nan 0.000 0.445 236 E N -0.516 119.762 120.200 0.130 0.000 2.028 236 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 236 E C 2.018 178.698 176.600 0.132 0.000 0.988 236 E CA 1.397 57.867 56.400 0.116 0.000 0.799 236 E CB -0.147 29.624 29.700 0.118 0.000 0.755 236 E HN 0.349 nan 8.360 nan 0.000 0.447 237 V N 0.729 120.741 119.914 0.164 0.000 2.332 237 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 237 V C 2.316 178.575 176.094 0.276 0.000 1.055 237 V CA 1.970 64.400 62.300 0.218 0.000 1.038 237 V CB -0.524 31.405 31.823 0.176 0.000 0.651 237 V HN 0.220 nan 8.190 nan 0.000 0.450 238 S N -0.677 115.144 115.700 0.202 0.000 2.348 238 S HA -0.302 4.168 4.470 -0.000 0.000 0.221 238 S C 2.030 176.725 174.600 0.159 0.000 1.033 238 S CA 1.798 60.111 58.200 0.189 0.000 1.010 238 S CB -0.415 62.876 63.200 0.151 0.000 0.891 238 S HN 0.598 nan 8.310 nan 0.000 0.442 239 Q N 1.371 121.240 119.800 0.115 0.000 2.197 239 Q HA -0.117 4.223 4.340 -0.000 0.000 0.207 239 Q C 2.071 178.108 176.000 0.060 0.000 0.984 239 Q CA 1.546 57.395 55.803 0.075 0.000 0.869 239 Q CB -0.164 28.608 28.738 0.058 0.000 0.906 239 Q HN 0.482 nan 8.270 nan 0.000 0.426 240 R N -1.702 118.842 120.500 0.073 0.000 2.119 240 R HA -0.082 4.258 4.340 -0.000 0.000 0.222 240 R C 1.570 177.805 176.300 -0.108 0.000 1.088 240 R CA 1.239 57.326 56.100 -0.022 0.000 0.984 240 R CB 0.001 30.276 30.300 -0.042 0.000 0.884 240 R HN 0.479 nan 8.270 nan 0.000 0.447 241 H N -0.894 118.209 119.070 0.055 0.000 2.553 241 H HA 0.213 4.769 4.556 -0.000 0.000 0.276 241 H C 0.056 175.413 175.328 0.047 0.000 0.979 241 H CA 0.548 56.632 56.048 0.059 0.000 1.268 241 H CB 0.572 30.387 29.762 0.088 0.000 1.450 241 H HN 0.152 nan 8.280 nan 0.000 0.527 242 A N 1.821 124.734 122.820 0.155 0.000 2.807 242 A HA 0.262 4.581 4.320 -0.000 0.000 0.307 242 A C 0.764 178.378 177.584 0.050 0.000 1.532 242 A CA 0.359 52.447 52.037 0.085 0.000 1.215 242 A CB -0.139 18.903 19.000 0.070 0.000 1.127 242 A HN 0.510 nan 8.150 nan 0.000 0.543 243 E N 1.084 121.307 120.200 0.039 0.000 1.603 243 E HA -0.064 4.286 4.350 -0.000 0.000 0.238 243 E C 0.919 177.531 176.600 0.020 0.000 1.062 243 E CA 0.746 57.159 56.400 0.022 0.000 1.490 243 E CB -0.728 28.978 29.700 0.010 0.000 4.197 243 E HN 0.327 nan 8.360 nan 0.000 0.849 244 K N 0.339 120.750 120.400 0.018 0.000 2.365 244 K HA 0.121 4.441 4.320 -0.000 0.000 0.199 244 K C 1.196 177.820 176.600 0.040 0.000 1.045 244 K CA 0.952 57.250 56.287 0.018 0.000 0.962 244 K CB 0.183 32.684 32.500 0.001 0.000 0.759 244 K HN 0.102 nan 8.250 nan 0.000 0.469 245 L N -0.474 120.780 121.223 0.052 0.000 2.477 245 L HA 0.162 4.502 4.340 -0.000 0.000 0.220 245 L C 0.876 177.773 176.870 0.044 0.000 1.106 245 L CA 0.896 55.769 54.840 0.055 0.000 0.851 245 L CB 0.142 42.237 42.059 0.060 0.000 0.994 245 L HN 0.343 nan 8.230 nan 0.000 0.462 246 G N 0.241 109.063 108.800 0.037 0.000 2.225 246 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.264 246 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.264 246 G C -0.068 174.854 174.900 0.038 0.000 1.060 246 G CA 0.467 45.590 45.100 0.038 0.000 0.833 246 G HN 0.250 nan 8.290 nan 0.000 0.498 247 L N -0.935 120.294 121.223 0.010 0.000 2.350 247 L HA 0.574 4.914 4.340 -0.000 0.000 0.260 247 L C -2.165 174.667 176.870 -0.064 0.000 1.015 247 L CA -2.632 52.178 54.840 -0.050 0.000 0.821 247 L CB 2.293 44.297 42.059 -0.091 0.000 1.370 247 L HN -0.122 nan 8.230 nan 0.000 0.416 248 P HA 0.005 nan 4.420 nan 0.000 0.268 248 P C 0.282 177.550 177.300 -0.053 0.000 1.205 248 P CA -0.145 62.905 63.100 -0.083 0.000 0.771 248 P CB 0.687 32.314 31.700 -0.123 0.000 0.858 249 E N 3.979 124.174 120.200 -0.008 0.000 2.097 249 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 249 E C 1.654 178.270 176.600 0.026 0.000 1.000 249 E CA 1.596 58.009 56.400 0.022 0.000 0.804 249 E CB 0.029 29.747 29.700 0.030 0.000 0.740 249 E HN 0.455 nan 8.360 nan 0.000 0.454 250 R N -0.159 120.344 120.500 0.005 0.000 2.120 250 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 250 R C 2.383 178.699 176.300 0.027 0.000 1.123 250 R CA 1.453 57.562 56.100 0.015 0.000 0.975 250 R CB -0.752 29.546 30.300 -0.003 0.000 0.866 250 R HN -0.014 nan 8.270 nan 0.000 0.446 251 V N 1.307 121.197 119.914 -0.040 0.000 2.358 251 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 251 V C 2.405 178.527 176.094 0.047 0.000 1.047 251 V CA 1.481 63.753 62.300 -0.047 0.000 1.035 251 V CB -0.034 31.638 31.823 -0.251 0.000 0.658 251 V HN 0.203 nan 8.190 nan 0.000 0.452 252 V N -0.407 119.538 119.914 0.052 0.000 2.548 252 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 252 V C 2.331 178.558 176.094 0.222 0.000 1.055 252 V CA 2.083 64.469 62.300 0.143 0.000 1.065 252 V CB -0.536 31.359 31.823 0.120 0.000 0.681 252 V HN 0.606 nan 8.190 nan 0.000 0.462 253 Q N -0.152 119.750 119.800 0.170 0.000 2.046 253 Q HA -0.281 4.059 4.340 -0.000 0.000 0.200 253 Q C 2.309 178.452 176.000 0.238 0.000 0.975 253 Q CA 2.218 58.132 55.803 0.186 0.000 0.836 253 Q CB -0.182 28.630 28.738 0.124 0.000 0.896 253 Q HN 0.793 nan 8.270 nan 0.000 0.428 254 H N -0.785 118.360 119.070 0.125 0.000 2.389 254 H HA -0.165 4.391 4.556 -0.000 0.000 0.299 254 H C 1.634 177.058 175.328 0.159 0.000 1.081 254 H CA 1.847 57.980 56.048 0.143 0.000 1.345 254 H CB -0.334 29.452 29.762 0.040 0.000 1.393 254 H HN 0.426 nan 8.280 nan 0.000 0.520 255 Y N 0.504 120.768 120.300 -0.059 0.000 2.165 255 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 255 Y C 2.020 177.957 175.900 0.060 0.000 1.155 255 Y CA 1.851 59.891 58.100 -0.100 0.000 1.164 255 Y CB -0.404 38.063 38.460 0.012 0.000 0.978 255 Y HN 0.228 nan 8.280 nan 0.000 0.513 256 L N -1.011 120.335 121.223 0.204 0.000 2.072 256 L HA -0.213 4.127 4.340 -0.000 0.000 0.205 256 L C 2.560 179.556 176.870 0.210 0.000 1.079 256 L CA 1.323 56.326 54.840 0.272 0.000 0.752 256 L CB -0.981 41.260 42.059 0.304 0.000 0.906 256 L HN 0.528 nan 8.230 nan 0.000 0.436 257 W N 1.865 123.155 121.300 -0.016 0.000 2.350 257 W HA -0.246 4.414 4.660 -0.000 0.000 0.289 257 W C 1.915 178.322 176.519 -0.187 0.000 1.215 257 W CA 1.534 58.846 57.345 -0.055 0.000 1.236 257 W CB -0.320 29.109 29.460 -0.051 0.000 1.130 257 W HN 0.311 nan 8.180 nan 0.000 0.541 258 N N 0.033 118.483 118.700 -0.417 0.000 2.550 258 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 258 N C -0.484 174.589 175.510 -0.729 0.000 1.110 258 N CA 0.397 53.075 53.050 -0.621 0.000 0.912 258 N CB -0.344 37.788 38.487 -0.592 0.000 0.968 258 N HN -0.126 nan 8.380 nan 0.000 0.448 259 F N 1.143 120.785 119.950 -0.514 0.000 2.379 259 F HA 0.371 4.898 4.527 -0.000 0.000 0.332 259 F C 0.750 176.098 175.800 -0.753 0.000 1.096 259 F CA -0.503 57.099 58.000 -0.663 0.000 1.105 259 F CB 0.999 39.452 39.000 -0.913 0.000 1.189 259 F HN -0.317 nan 8.300 nan 0.000 0.515 260 R N 2.875 123.144 120.500 -0.385 0.000 2.265 260 R HA 0.242 4.582 4.340 -0.000 0.000 0.328 260 R C -0.807 175.343 176.300 -0.251 0.000 0.969 260 R CA -0.363 55.570 56.100 -0.278 0.000 0.832 260 R CB 0.656 30.863 30.300 -0.155 0.000 1.139 260 R HN 0.675 nan 8.270 nan 0.000 0.457 261 Y N -0.104 120.229 120.300 0.056 0.000 2.467 261 Y HA 0.127 4.677 4.550 -0.000 0.000 0.250 261 Y C 0.910 176.645 175.900 -0.274 0.000 1.155 261 Y CA 0.058 58.121 58.100 -0.063 0.000 1.249 261 Y CB 0.454 38.814 38.460 -0.166 0.000 1.146 261 Y HN 0.615 nan 8.280 nan 0.000 0.524 262 H N -0.567 118.449 119.070 -0.090 0.000 2.529 262 H HA 0.200 4.756 4.556 -0.000 0.000 0.277 262 H C 0.586 175.814 175.328 -0.166 0.000 1.004 262 H CA -0.365 55.562 56.048 -0.202 0.000 1.167 262 H CB 0.086 29.730 29.762 -0.197 0.000 1.445 262 H HN 0.034 nan 8.280 nan 0.000 0.554 263 L N 1.724 122.929 121.223 -0.031 0.000 3.879 263 L HA -0.286 4.054 4.340 -0.000 0.000 0.481 263 L C -0.217 176.574 176.870 -0.131 0.000 1.232 263 L CA 0.403 55.190 54.840 -0.089 0.000 0.736 263 L CB -0.962 41.027 42.059 -0.116 0.000 1.511 263 L HN 0.377 nan 8.230 nan 0.000 0.830 264 E N 0.176 120.323 120.200 -0.088 0.000 2.385 264 E HA 0.510 4.860 4.350 -0.000 0.000 0.254 264 E C 1.460 177.996 176.600 -0.106 0.000 1.228 264 E CA -0.057 56.286 56.400 -0.095 0.000 0.956 264 E CB 0.390 30.044 29.700 -0.077 0.000 1.116 264 E HN 0.439 nan 8.360 nan 0.000 0.507 265 A N 1.371 124.137 122.820 -0.091 0.000 1.896 265 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 265 A C -0.516 177.021 177.584 -0.078 0.000 1.206 265 A CA 2.043 54.033 52.037 -0.079 0.000 0.647 265 A CB -1.840 17.123 19.000 -0.061 0.000 0.828 265 A HN 0.470 nan 8.150 nan 0.000 0.455 266 P HA -0.125 nan 4.420 nan 0.000 0.215 266 P C 0.661 177.933 177.300 -0.047 0.000 1.153 266 P CA 1.461 64.520 63.100 -0.068 0.000 0.853 266 P CB -0.138 31.537 31.700 -0.040 0.000 0.788 267 D N -0.677 119.691 120.400 -0.053 0.000 2.117 267 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 267 D C 1.964 178.224 176.300 -0.068 0.000 0.987 267 D CA 1.004 54.970 54.000 -0.058 0.000 0.829 267 D CB -0.424 40.333 40.800 -0.072 0.000 0.961 267 D HN 0.232 nan 8.370 nan 0.000 0.460 268 R N 0.291 120.743 120.500 -0.080 0.000 2.115 268 R HA -0.070 4.270 4.340 -0.000 0.000 0.230 268 R C 2.359 178.666 176.300 0.011 0.000 1.111 268 R CA 0.277 56.349 56.100 -0.046 0.000 0.976 268 R CB -0.544 29.696 30.300 -0.100 0.000 0.870 268 R HN 0.178 nan 8.270 nan 0.000 0.445 269 L N 0.883 122.095 121.223 -0.019 0.000 1.994 269 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 269 L C 2.242 179.162 176.870 0.084 0.000 1.071 269 L CA 2.196 57.027 54.840 -0.015 0.000 0.745 269 L CB -1.129 40.833 42.059 -0.162 0.000 0.892 269 L HN 0.166 nan 8.230 nan 0.000 0.431 270 G N -0.482 108.387 108.800 0.116 0.000 2.418 270 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 270 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 270 G C 1.598 176.550 174.900 0.087 0.000 1.158 270 G CA 0.975 46.244 45.100 0.282 0.000 0.771 270 G HN 0.412 nan 8.290 nan 0.000 0.545 271 L N 0.692 121.871 121.223 -0.073 0.000 1.990 271 L HA -0.049 4.291 4.340 -0.000 0.000 0.213 271 L C 2.912 179.798 176.870 0.025 0.000 1.072 271 L CA 1.922 56.694 54.840 -0.113 0.000 0.755 271 L CB -0.579 41.469 42.059 -0.019 0.000 0.889 271 L HN 0.156 nan 8.230 nan 0.000 0.432 272 R N -0.545 120.006 120.500 0.084 0.000 2.081 272 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 272 R C 2.133 178.504 176.300 0.118 0.000 1.131 272 R CA 1.674 57.825 56.100 0.086 0.000 0.960 272 R CB -0.411 29.964 30.300 0.125 0.000 0.856 272 R HN 0.553 nan 8.270 nan 0.000 0.436 273 E N -0.040 120.294 120.200 0.223 0.000 2.118 273 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 273 E C 1.704 178.531 176.600 0.378 0.000 0.992 273 E CA 1.245 57.838 56.400 0.321 0.000 0.804 273 E CB -0.192 29.785 29.700 0.463 0.000 0.741 273 E HN 0.232 nan 8.360 nan 0.000 0.458 274 F N 1.516 121.574 119.950 0.179 0.000 2.113 274 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 274 F C 2.260 178.029 175.800 -0.052 0.000 1.103 274 F CA 1.307 59.309 58.000 0.003 0.000 1.248 274 F CB -0.484 38.268 39.000 -0.414 0.000 0.999 274 F HN -0.070 nan 8.300 nan 0.000 0.475 275 A N 0.086 122.750 122.820 -0.261 0.000 1.948 275 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 275 A C 1.937 179.298 177.584 -0.370 0.000 1.177 275 A CA 2.163 53.881 52.037 -0.532 0.000 0.636 275 A CB -1.063 17.458 19.000 -0.799 0.000 0.815 275 A HN 0.468 nan 8.150 nan 0.000 0.449 276 D N -0.251 120.094 120.400 -0.092 0.000 2.144 276 D HA -0.065 4.575 4.640 -0.000 0.000 0.200 276 D C 1.936 178.233 176.300 -0.004 0.000 0.978 276 D CA 1.031 55.082 54.000 0.086 0.000 0.833 276 D CB -0.210 40.662 40.800 0.119 0.000 0.961 276 D HN 0.490 nan 8.370 nan 0.000 0.470 277 L N 0.183 121.367 121.223 -0.064 0.000 2.084 277 L HA 0.052 4.392 4.340 -0.000 0.000 0.202 277 L C 2.414 179.179 176.870 -0.175 0.000 1.074 277 L CA 1.002 55.803 54.840 -0.065 0.000 0.757 277 L CB -0.337 41.746 42.059 0.040 0.000 0.918 277 L HN -0.064 nan 8.230 nan 0.000 0.444 278 A N -0.730 121.826 122.820 -0.441 0.000 2.016 278 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 278 A C 1.214 178.623 177.584 -0.293 0.000 1.162 278 A CA 0.842 52.594 52.037 -0.475 0.000 0.662 278 A CB -0.007 18.346 19.000 -1.079 0.000 0.812 278 A HN 0.217 nan 8.150 nan 0.000 0.450 279 V N 0.669 120.427 119.914 -0.260 0.000 2.562 279 V HA 0.199 4.319 4.120 -0.000 0.000 0.274 279 V C -2.849 173.252 176.094 0.012 0.000 1.075 279 V CA -1.608 60.620 62.300 -0.121 0.000 1.204 279 V CB 0.406 32.142 31.823 -0.145 0.000 1.478 279 V HN 0.115 nan 8.190 nan 0.000 0.622 280 P HA 0.091 nan 4.420 nan 0.000 0.263 280 P C 1.243 178.528 177.300 -0.025 0.000 1.168 280 P CA 2.014 65.116 63.100 0.004 0.000 0.759 280 P CB 0.426 32.112 31.700 -0.023 0.000 0.782 281 G N 1.494 110.240 108.800 -0.090 0.000 2.168 281 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.263 281 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.263 281 G C 0.415 175.183 174.900 -0.220 0.000 0.977 281 G CA 0.284 45.286 45.100 -0.164 0.000 0.659 281 G HN 0.960 nan 8.290 nan 0.000 0.533 282 H N 0.001 119.005 119.070 -0.110 0.000 2.913 282 H HA 0.544 5.100 4.556 -0.000 0.000 0.365 282 H C 0.822 176.070 175.328 -0.132 0.000 1.155 282 H CA 0.128 56.092 56.048 -0.139 0.000 1.417 282 H CB 0.392 30.054 29.762 -0.167 0.000 1.386 282 H HN 0.806 nan 8.280 nan 0.000 0.614 283 A N 1.869 124.630 122.820 -0.100 0.000 2.386 283 A HA 0.056 4.376 4.320 -0.000 0.000 0.246 283 A C 0.580 178.122 177.584 -0.070 0.000 1.089 283 A CA -0.165 51.797 52.037 -0.125 0.000 0.790 283 A CB -0.097 18.839 19.000 -0.105 0.000 1.042 283 A HN 0.902 nan 8.150 nan 0.000 0.497 284 E N 0.463 120.608 120.200 -0.092 0.000 2.384 284 E HA 0.262 4.612 4.350 -0.000 0.000 0.266 284 E C -0.940 175.604 176.600 -0.093 0.000 1.012 284 E CA -0.206 56.165 56.400 -0.048 0.000 0.901 284 E CB 0.188 29.859 29.700 -0.049 0.000 0.967 284 E HN 0.487 nan 8.360 nan 0.000 0.435 285 L N 5.031 126.205 121.223 -0.082 0.000 2.315 285 L HA 0.227 4.567 4.340 -0.000 0.000 0.283 285 L C 0.490 177.127 176.870 -0.387 0.000 1.089 285 L CA -0.437 54.260 54.840 -0.238 0.000 0.833 285 L CB 0.430 42.447 42.059 -0.070 0.000 1.170 285 L HN 0.614 nan 8.230 nan 0.000 0.442 286 T N -0.792 113.490 114.554 -0.454 0.000 2.932 286 T HA 0.779 5.129 4.350 -0.000 0.000 0.289 286 T C -0.467 173.791 174.700 -0.736 0.000 1.039 286 T CA -0.613 61.218 62.100 -0.448 0.000 1.024 286 T CB 1.848 70.633 68.868 -0.138 0.000 1.090 286 T HN 0.174 nan 8.240 nan 0.000 0.496 287 F N 0.000 120.038 119.950 0.146 0.000 2.286 287 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 287 F CA 0.000 58.081 58.000 0.136 0.000 1.383 287 F CB 0.000 39.067 39.000 0.111 0.000 1.145 287 F HN 0.000 nan 8.300 nan 0.000 0.574