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 2nyz_1_B DATA FIRST_RESID 12 DATA SEQUENCE HSSGVSTQSV DLSQIKRGDE IQAHcLTPAE TEVTEcAGIL KDVLSKNLHE DATA SEQUENCE LQGLcNVKNK MGVPWVSVEE LGQEIITGRL PFPSVGGTPV NDLVRVLVVA DATA SEQUENCE ESNTPEETPE EEFYAYVELQ TELYTFGLSD DNVVFTSDYM TVWMIDIPKS DATA SEQUENCE YVDVGMLTRA TFLEQWPGAK VTVMIPYSST FTWcGELGAI SEESAPQPSL DATA SEQUENCE SARSPVcKNS ARYSTSKFCE VDGcTAETGM EKMSLLTPFG GPPQQAKMNT DATA SEQUENCE cPcYYKYSVS PLPAMDHLIL ADLAGLDSLT SPVYVMAAYF DSTHENPVRP DATA SEQUENCE SSKLYHcALQ MTSHDGVWTS TSSEQcPIRL VEGQSQNVLQ VRVAPTSMPN DATA SEQUENCE LVGVSLMLEG QQYRLEYFGD H 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 12 H HA 0.000 nan 4.556 nan 0.000 0.296 12 H C 0.000 175.299 175.328 -0.048 0.000 0.993 12 H CA 0.000 56.025 56.048 -0.038 0.000 1.023 12 H CB 0.000 29.740 29.762 -0.037 0.000 1.292 13 S N 0.721 116.467 115.700 0.076 0.000 2.515 13 S HA 0.035 4.505 4.470 0.000 0.000 0.231 13 S C 0.816 175.408 174.600 -0.013 0.000 0.987 13 S CA 0.665 58.867 58.200 0.004 0.000 0.936 13 S CB 0.099 63.291 63.200 -0.014 0.000 0.766 13 S HN 0.624 nan 8.310 nan 0.000 0.528 14 S N -1.012 114.693 115.700 0.008 0.000 2.618 14 S HA 0.886 5.356 4.470 0.000 0.000 0.277 14 S C -0.234 174.352 174.600 -0.025 0.000 1.138 14 S CA -0.337 57.847 58.200 -0.026 0.000 0.844 14 S CB 1.535 64.713 63.200 -0.036 0.000 1.127 14 S HN 1.385 nan 8.310 nan 0.000 0.474 15 G N -0.611 108.160 108.800 -0.049 0.000 2.361 15 G HA2 0.419 4.379 3.960 0.000 0.000 0.305 15 G HA3 0.419 4.379 3.960 0.000 0.000 0.305 15 G C -2.055 172.806 174.900 -0.064 0.000 1.367 15 G CA -0.173 44.897 45.100 -0.050 0.000 0.951 15 G HN 1.478 nan 8.290 nan 0.000 0.615 16 V N 0.764 120.645 119.914 -0.055 0.000 2.638 16 V HA 0.866 4.986 4.120 0.000 0.000 0.306 16 V C 0.195 176.271 176.094 -0.030 0.000 1.052 16 V CA -0.032 62.235 62.300 -0.056 0.000 0.885 16 V CB 1.571 33.368 31.823 -0.043 0.000 0.999 16 V HN 1.664 nan 8.190 nan 0.000 0.424 17 S N 2.028 117.706 115.700 -0.036 0.000 2.595 17 S HA 0.947 5.417 4.470 0.000 0.000 0.281 17 S C -0.495 174.124 174.600 0.032 0.000 1.117 17 S CA -0.449 57.751 58.200 -0.000 0.000 0.873 17 S CB 2.392 65.580 63.200 -0.020 0.000 1.108 17 S HN 1.056 nan 8.310 nan 0.000 0.477 18 T N -1.730 112.881 114.554 0.095 0.000 2.887 18 T HA 0.857 5.207 4.350 0.000 0.000 0.292 18 T C -1.277 173.531 174.700 0.179 0.000 1.087 18 T CA -0.700 61.517 62.100 0.194 0.000 1.009 18 T CB 1.706 70.792 68.868 0.363 0.000 1.203 18 T HN 1.265 nan 8.240 nan 0.000 0.518 19 Q N -0.095 119.866 119.800 0.268 0.000 2.666 19 Q HA 0.536 4.876 4.340 0.000 0.000 0.276 19 Q C -1.545 174.615 176.000 0.266 0.000 0.952 19 Q CA -0.966 54.947 55.803 0.184 0.000 0.850 19 Q CB 0.933 29.726 28.738 0.091 0.000 1.512 19 Q HN 0.604 nan 8.270 nan 0.000 0.395 20 S N 0.417 116.225 115.700 0.180 0.000 2.614 20 S HA 0.535 5.005 4.470 0.000 0.000 0.265 20 S C -0.477 174.217 174.600 0.158 0.000 1.303 20 S CA -0.430 57.888 58.200 0.195 0.000 1.000 20 S CB 1.121 64.387 63.200 0.109 0.000 0.935 20 S HN 0.409 nan 8.310 nan 0.000 0.551 21 V N 2.234 122.244 119.914 0.160 0.000 2.445 21 V HA 0.258 4.378 4.120 0.000 0.000 0.283 21 V C -0.929 175.217 176.094 0.087 0.000 1.014 21 V CA -0.728 61.633 62.300 0.101 0.000 0.852 21 V CB 1.462 33.336 31.823 0.085 0.000 1.021 21 V HN 0.869 nan 8.190 nan 0.000 0.435 22 D N 3.826 124.263 120.400 0.062 0.000 2.412 22 D HA 0.372 5.012 4.640 0.000 0.000 0.224 22 D C 1.042 177.364 176.300 0.037 0.000 1.093 22 D CA -0.286 53.745 54.000 0.051 0.000 0.850 22 D CB 1.342 42.167 40.800 0.042 0.000 1.046 22 D HN 0.407 nan 8.370 nan 0.000 0.507 23 L N 2.359 123.605 121.223 0.037 0.000 2.353 23 L HA -0.135 4.205 4.340 0.000 0.000 0.220 23 L C 2.004 178.886 176.870 0.020 0.000 1.133 23 L CA 0.588 55.443 54.840 0.026 0.000 0.798 23 L CB -0.231 41.844 42.059 0.027 0.000 0.922 23 L HN 0.388 nan 8.230 nan 0.000 0.445 24 S N -0.676 115.037 115.700 0.022 0.000 2.368 24 S HA -0.141 4.329 4.470 0.000 0.000 0.224 24 S C 1.483 176.091 174.600 0.013 0.000 1.029 24 S CA 0.957 59.167 58.200 0.017 0.000 0.988 24 S CB -0.090 63.120 63.200 0.017 0.000 0.838 24 S HN 0.418 nan 8.310 nan 0.000 0.462 25 Q N 0.551 120.359 119.800 0.014 0.000 2.239 25 Q HA 0.361 4.701 4.340 0.000 0.000 0.219 25 Q C -0.519 175.485 176.000 0.007 0.000 0.901 25 Q CA 0.223 56.032 55.803 0.010 0.000 0.949 25 Q CB -0.317 28.428 28.738 0.012 0.000 1.038 25 Q HN 0.533 nan 8.270 nan 0.000 0.458 26 I N 1.645 122.218 120.570 0.006 0.000 2.447 26 I HA 0.171 4.341 4.170 0.000 0.000 0.287 26 I C -0.169 175.945 176.117 -0.004 0.000 1.023 26 I CA -1.130 60.170 61.300 -0.000 0.000 1.083 26 I CB 1.488 39.489 38.000 0.001 0.000 1.245 26 I HN -0.314 nan 8.210 nan 0.000 0.434 27 K N 7.146 127.539 120.400 -0.012 0.000 2.321 27 K HA -0.073 4.247 4.320 0.000 0.000 0.266 27 K C 0.648 177.241 176.600 -0.012 0.000 1.215 27 K CA 0.498 56.776 56.287 -0.014 0.000 1.225 27 K CB -0.382 32.103 32.500 -0.026 0.000 0.827 27 K HN 0.563 nan 8.250 nan 0.000 0.478 28 R N 0.359 120.858 120.500 -0.001 0.000 3.847 28 R HA -0.247 4.093 4.340 0.000 0.000 0.304 28 R C 1.453 177.759 176.300 0.011 0.000 1.203 28 R CA 0.639 56.744 56.100 0.008 0.000 0.835 28 R CB -2.057 28.248 30.300 0.008 0.000 1.253 28 R HN 0.879 nan 8.270 nan 0.000 0.516 29 G N 1.110 109.912 108.800 0.004 0.000 2.505 29 G HA2 -0.393 3.567 3.960 0.000 0.000 0.220 29 G HA3 -0.393 3.567 3.960 0.000 0.000 0.220 29 G C 0.976 175.883 174.900 0.012 0.000 1.145 29 G CA 1.259 46.362 45.100 0.004 0.000 0.761 29 G HN 0.459 nan 8.290 nan 0.000 0.571 30 D N 0.820 121.229 120.400 0.016 0.000 2.149 30 D HA -0.131 4.509 4.640 0.000 0.000 0.194 30 D C 2.414 178.725 176.300 0.018 0.000 1.001 30 D CA 1.567 55.577 54.000 0.016 0.000 0.849 30 D CB -0.278 40.534 40.800 0.020 0.000 0.939 30 D HN 0.563 nan 8.370 nan 0.000 0.449 31 E N -0.398 119.828 120.200 0.043 0.000 2.076 31 E HA -0.039 4.311 4.350 0.000 0.000 0.190 31 E C 2.556 179.209 176.600 0.089 0.000 0.979 31 E CA 0.383 56.843 56.400 0.099 0.000 0.807 31 E CB 0.012 29.789 29.700 0.128 0.000 0.761 31 E HN 0.376 nan 8.360 nan 0.000 0.454 32 I N 1.332 121.932 120.570 0.050 0.000 2.194 32 I HA -0.334 3.836 4.170 0.000 0.000 0.246 32 I C 2.712 178.839 176.117 0.017 0.000 1.093 32 I CA 1.220 62.541 61.300 0.034 0.000 1.355 32 I CB -0.276 37.726 38.000 0.003 0.000 1.046 32 I HN 0.124 nan 8.210 nan 0.000 0.413 33 Q N 1.342 121.141 119.800 -0.002 0.000 2.030 33 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 33 Q C 2.178 178.147 176.000 -0.052 0.000 0.986 33 Q CA 2.559 58.352 55.803 -0.017 0.000 0.843 33 Q CB -0.387 28.344 28.738 -0.011 0.000 0.904 33 Q HN 0.505 nan 8.270 nan 0.000 0.420 34 A N -1.020 121.734 122.820 -0.109 0.000 2.066 34 A HA -0.122 4.198 4.320 0.000 0.000 0.218 34 A C 1.344 178.678 177.584 -0.416 0.000 1.157 34 A CA 1.436 53.313 52.037 -0.266 0.000 0.670 34 A CB -0.393 18.389 19.000 -0.364 0.000 0.804 34 A HN 0.545 nan 8.150 nan 0.000 0.453 35 H N -3.317 115.759 119.070 0.011 0.000 3.046 35 H HA 0.185 4.741 4.556 0.000 0.000 0.262 35 H C 1.113 176.449 175.328 0.014 0.000 1.044 35 H CA 0.593 56.649 56.048 0.013 0.000 1.209 35 H CB 0.485 30.255 29.762 0.013 0.000 1.507 35 H HN 0.521 nan 8.280 nan 0.000 0.507 36 c N -0.090 118.564 118.600 0.090 0.000 3.123 36 c HA 0.284 4.854 4.570 0.000 0.000 0.399 36 c C 1.862 175.971 174.090 0.031 0.000 1.320 36 c CA -0.011 56.355 56.329 0.062 0.000 1.949 36 c CB 0.411 42.949 42.510 0.047 0.000 2.692 36 c HN 0.255 nan 8.230 nan 0.000 0.623 37 L N 0.618 121.847 121.223 0.009 0.000 3.014 37 L HA 0.249 4.590 4.340 0.000 0.000 0.263 37 L C -0.194 176.665 176.870 -0.018 0.000 1.207 37 L CA 0.584 55.420 54.840 -0.007 0.000 1.017 37 L CB 0.087 42.139 42.059 -0.013 0.000 1.360 37 L HN 0.200 nan 8.230 nan 0.000 0.560 38 T N 0.950 115.494 114.554 -0.018 0.000 2.886 38 T HA 0.333 4.683 4.350 0.000 0.000 0.292 38 T C -2.726 171.968 174.700 -0.011 0.000 1.012 38 T CA -1.173 60.911 62.100 -0.026 0.000 0.982 38 T CB 2.472 71.309 68.868 -0.051 0.000 1.018 38 T HN -0.178 nan 8.240 nan 0.000 0.451 39 P HA 0.395 nan 4.420 nan 0.000 0.268 39 P C -0.526 176.784 177.300 0.016 0.000 1.541 39 P CA -0.042 63.061 63.100 0.004 0.000 1.093 39 P CB 0.354 32.051 31.700 -0.005 0.000 1.551 40 A N 4.133 126.974 122.820 0.036 0.000 3.411 40 A HA 0.394 4.714 4.320 0.000 0.000 0.197 40 A C 0.014 177.641 177.584 0.071 0.000 1.630 40 A CA -0.170 51.901 52.037 0.057 0.000 1.807 40 A CB -0.459 18.595 19.000 0.090 0.000 1.519 40 A HN 0.300 nan 8.150 nan 0.000 0.502 41 E N 1.136 121.396 120.200 0.101 0.000 2.568 41 E HA 0.127 4.477 4.350 0.000 0.000 0.262 41 E C 0.935 177.571 176.600 0.061 0.000 0.961 41 E CA 0.906 57.351 56.400 0.074 0.000 0.945 41 E CB 0.216 29.958 29.700 0.070 0.000 0.924 41 E HN 0.590 nan 8.360 nan 0.000 0.467 42 T N -0.367 114.216 114.554 0.048 0.000 3.148 42 T HA 0.016 4.366 4.350 0.000 0.000 0.253 42 T C 0.222 174.950 174.700 0.048 0.000 1.134 42 T CA -0.055 62.072 62.100 0.046 0.000 1.051 42 T CB 0.052 68.943 68.868 0.038 0.000 0.959 42 T HN 0.200 nan 8.240 nan 0.000 0.525 43 E N 1.293 121.520 120.200 0.045 0.000 2.221 43 E HA 0.328 4.678 4.350 0.000 0.000 0.268 43 E C 1.288 177.916 176.600 0.046 0.000 0.933 43 E CA -0.557 55.868 56.400 0.042 0.000 0.809 43 E CB 2.265 31.983 29.700 0.030 0.000 1.190 43 E HN 0.108 nan 8.360 nan 0.000 0.406 44 V N -0.643 119.300 119.914 0.050 0.000 3.141 44 V HA -0.163 3.957 4.120 0.000 0.000 0.265 44 V C 1.536 177.651 176.094 0.034 0.000 1.126 44 V CA 1.485 63.817 62.300 0.052 0.000 1.141 44 V CB -1.168 30.690 31.823 0.059 0.000 0.743 44 V HN 0.547 nan 8.190 nan 0.000 0.492 45 T N 1.285 115.851 114.554 0.021 0.000 2.505 45 T HA -0.293 4.057 4.350 0.000 0.000 0.259 45 T C 1.653 176.345 174.700 -0.012 0.000 1.158 45 T CA 2.566 64.668 62.100 0.003 0.000 1.190 45 T CB -0.424 68.441 68.868 -0.005 0.000 0.864 45 T HN 0.581 nan 8.240 nan 0.000 0.413 46 E N 0.233 120.412 120.200 -0.035 0.000 2.026 46 E HA -0.166 4.184 4.350 0.000 0.000 0.206 46 E C 2.488 179.057 176.600 -0.052 0.000 1.028 46 E CA 1.398 57.738 56.400 -0.100 0.000 0.845 46 E CB -1.232 28.367 29.700 -0.169 0.000 0.772 46 E HN 0.593 nan 8.360 nan 0.000 0.462 47 c N 0.740 119.351 118.600 0.019 0.000 2.413 47 c HA -0.145 4.425 4.570 0.000 0.000 0.278 47 c C 2.802 176.919 174.090 0.044 0.000 1.224 47 c CA 1.706 58.069 56.329 0.057 0.000 1.732 47 c CB -1.292 41.267 42.510 0.080 0.000 2.050 47 c HN 0.502 nan 8.230 nan 0.000 0.463 48 A N 0.187 123.037 122.820 0.049 0.000 2.084 48 A HA 0.051 4.371 4.320 0.000 0.000 0.221 48 A C 2.335 179.958 177.584 0.066 0.000 1.161 48 A CA 2.293 54.372 52.037 0.070 0.000 0.653 48 A CB -1.326 17.706 19.000 0.054 0.000 0.802 48 A HN 0.811 nan 8.150 nan 0.000 0.457 49 G N 0.150 108.966 108.800 0.028 0.000 2.454 49 G HA2 -0.130 3.830 3.960 0.000 0.000 0.214 49 G HA3 -0.130 3.830 3.960 0.000 0.000 0.214 49 G C 1.480 176.392 174.900 0.021 0.000 1.217 49 G CA 0.928 46.038 45.100 0.017 0.000 0.799 49 G HN 0.454 nan 8.290 nan 0.000 0.538 50 I N 0.619 121.192 120.570 0.005 0.000 2.236 50 I HA -0.219 3.951 4.170 0.000 0.000 0.249 50 I C 2.685 178.795 176.117 -0.012 0.000 1.102 50 I CA 0.912 62.214 61.300 0.004 0.000 1.365 50 I CB -0.208 37.805 38.000 0.021 0.000 1.051 50 I HN 0.131 nan 8.210 nan 0.000 0.420 51 L N 0.289 121.504 121.223 -0.014 0.000 2.179 51 L HA -0.145 4.195 4.340 0.000 0.000 0.208 51 L C 2.627 179.441 176.870 -0.094 0.000 1.096 51 L CA 0.906 55.682 54.840 -0.107 0.000 0.779 51 L CB -0.496 41.489 42.059 -0.122 0.000 0.922 51 L HN 0.225 nan 8.230 nan 0.000 0.443 52 K N 0.637 121.113 120.400 0.127 0.000 2.032 52 K HA -0.281 4.039 4.320 0.000 0.000 0.209 52 K C 1.769 178.447 176.600 0.130 0.000 1.048 52 K CA 2.283 58.731 56.287 0.269 0.000 0.927 52 K CB -0.102 32.503 32.500 0.176 0.000 0.712 52 K HN 0.196 nan 8.250 nan 0.000 0.441 53 D N -0.047 120.383 120.400 0.049 0.000 2.097 53 D HA -0.128 4.512 4.640 0.000 0.000 0.197 53 D C 1.810 178.103 176.300 -0.011 0.000 0.984 53 D CA 1.285 55.296 54.000 0.019 0.000 0.826 53 D CB 0.114 40.918 40.800 0.008 0.000 0.973 53 D HN 0.094 nan 8.370 nan 0.000 0.460 54 V N 0.007 119.892 119.914 -0.049 0.000 2.488 54 V HA -0.065 4.055 4.120 0.000 0.000 0.246 54 V C 2.034 178.048 176.094 -0.134 0.000 1.046 54 V CA 0.785 63.037 62.300 -0.081 0.000 1.053 54 V CB -0.197 31.575 31.823 -0.085 0.000 0.679 54 V HN 0.226 nan 8.190 nan 0.000 0.458 55 L N -0.290 120.787 121.223 -0.243 0.000 2.554 55 L HA 0.095 4.435 4.340 0.000 0.000 0.226 55 L C 2.324 179.123 176.870 -0.118 0.000 1.137 55 L CA 1.167 55.793 54.840 -0.358 0.000 0.863 55 L CB -0.637 40.794 42.059 -1.048 0.000 0.985 55 L HN 0.204 nan 8.230 nan 0.000 0.451 56 S N -0.791 114.909 115.700 0.001 0.000 2.377 56 S HA -0.074 4.396 4.470 0.000 0.000 0.223 56 S C 1.852 176.455 174.600 0.005 0.000 1.030 56 S CA 0.878 59.117 58.200 0.065 0.000 0.970 56 S CB 0.109 63.353 63.200 0.074 0.000 0.830 56 S HN 0.426 nan 8.310 nan 0.000 0.473 57 K N 1.353 121.740 120.400 -0.021 0.000 1.975 57 K HA 0.011 4.331 4.320 0.000 0.000 0.210 57 K C 0.709 177.279 176.600 -0.050 0.000 1.041 57 K CA 0.962 57.232 56.287 -0.028 0.000 0.942 57 K CB -0.215 32.269 32.500 -0.026 0.000 0.729 57 K HN 0.149 nan 8.250 nan 0.000 0.439 58 N N 1.119 119.776 118.700 -0.072 0.000 2.558 58 N HA 0.032 4.772 4.740 0.000 0.000 0.242 58 N C 0.217 175.632 175.510 -0.158 0.000 0.979 58 N CA -0.212 52.781 53.050 -0.095 0.000 0.931 58 N CB 1.095 39.544 38.487 -0.062 0.000 1.122 58 N HN -0.014 nan 8.380 nan 0.000 0.508 59 L N 3.352 124.432 121.223 -0.239 0.000 2.189 59 L HA -0.075 4.265 4.340 0.000 0.000 0.214 59 L C 0.720 177.374 176.870 -0.361 0.000 1.097 59 L CA 1.832 56.465 54.840 -0.345 0.000 0.764 59 L CB -0.453 41.321 42.059 -0.476 0.000 0.900 59 L HN 0.668 nan 8.230 nan 0.000 0.436 60 H N -1.851 117.183 119.070 -0.060 0.000 2.487 60 H HA 0.173 4.729 4.556 0.000 0.000 0.290 60 H C 1.457 176.742 175.328 -0.072 0.000 1.081 60 H CA 0.230 56.240 56.048 -0.063 0.000 1.116 60 H CB 0.272 30.007 29.762 -0.044 0.000 1.560 60 H HN 0.333 nan 8.280 nan 0.000 0.548 61 E N 1.364 121.556 120.200 -0.013 0.000 2.273 61 E HA -0.113 4.237 4.350 0.000 0.000 0.198 61 E C 1.797 178.378 176.600 -0.033 0.000 1.002 61 E CA 0.603 56.984 56.400 -0.032 0.000 0.828 61 E CB -0.209 29.448 29.700 -0.072 0.000 0.747 61 E HN 0.459 nan 8.360 nan 0.000 0.491 62 L N -0.059 121.140 121.223 -0.039 0.000 2.156 62 L HA -0.153 4.187 4.340 0.000 0.000 0.208 62 L C 2.397 179.246 176.870 -0.035 0.000 1.095 62 L CA 1.092 55.907 54.840 -0.042 0.000 0.770 62 L CB -0.411 41.620 42.059 -0.048 0.000 0.914 62 L HN 0.238 nan 8.230 nan 0.000 0.439 63 Q N -0.158 119.629 119.800 -0.022 0.000 2.234 63 Q HA -0.158 4.182 4.340 0.000 0.000 0.206 63 Q C 2.044 178.017 176.000 -0.045 0.000 0.980 63 Q CA 1.354 57.130 55.803 -0.046 0.000 0.869 63 Q CB -0.336 28.370 28.738 -0.052 0.000 0.912 63 Q HN 0.588 nan 8.270 nan 0.000 0.436 64 G N 0.080 108.865 108.800 -0.026 0.000 2.848 64 G HA2 -0.006 3.954 3.960 0.000 0.000 0.208 64 G HA3 -0.006 3.954 3.960 0.000 0.000 0.208 64 G C 1.101 175.988 174.900 -0.022 0.000 1.152 64 G CA 0.004 45.093 45.100 -0.018 0.000 0.789 64 G HN 0.174 nan 8.290 nan 0.000 0.531 65 L N 0.104 121.303 121.223 -0.040 0.000 2.585 65 L HA 0.215 4.555 4.340 0.000 0.000 0.226 65 L C 0.535 177.352 176.870 -0.088 0.000 1.113 65 L CA -0.397 54.414 54.840 -0.047 0.000 0.876 65 L CB 0.309 42.341 42.059 -0.045 0.000 1.072 65 L HN 0.035 nan 8.230 nan 0.000 0.468 66 c N 1.142 119.676 118.600 -0.110 0.000 2.464 66 c HA 0.088 4.658 4.570 0.000 0.000 0.370 66 c C 1.649 175.627 174.090 -0.187 0.000 1.267 66 c CA -0.718 55.501 56.329 -0.184 0.000 1.781 66 c CB -0.367 42.026 42.510 -0.195 0.000 2.431 66 c HN 0.431 nan 8.230 nan 0.000 0.556 67 N N 1.361 119.873 118.700 -0.314 0.000 2.171 67 N HA -0.006 4.734 4.740 0.000 0.000 0.184 67 N C 0.154 175.490 175.510 -0.289 0.000 1.021 67 N CA 0.967 53.825 53.050 -0.321 0.000 0.854 67 N CB 0.080 38.187 38.487 -0.633 0.000 0.994 67 N HN 0.536 nan 8.380 nan 0.000 0.426 68 V N 0.057 119.758 119.914 -0.355 0.000 2.735 68 V HA 0.379 4.499 4.120 0.000 0.000 0.310 68 V C -0.531 175.334 176.094 -0.383 0.000 1.061 68 V CA -0.982 61.200 62.300 -0.198 0.000 0.913 68 V CB 2.225 34.073 31.823 0.041 0.000 1.005 68 V HN 0.002 nan 8.190 nan 0.000 0.428 69 K N 3.269 123.469 120.400 -0.333 0.000 2.579 69 K HA 0.389 4.709 4.320 0.000 0.000 0.250 69 K C -0.996 175.360 176.600 -0.407 0.000 0.952 69 K CA -0.488 55.535 56.287 -0.440 0.000 0.857 69 K CB 0.963 33.297 32.500 -0.277 0.000 1.123 69 K HN 0.677 nan 8.250 nan 0.000 0.433 70 N N 4.707 123.034 118.700 -0.621 0.000 2.546 70 N HA 0.149 4.889 4.740 0.000 0.000 0.238 70 N C -1.431 173.887 175.510 -0.321 0.000 0.984 70 N CA -0.356 52.469 53.050 -0.374 0.000 0.935 70 N CB 0.922 39.268 38.487 -0.236 0.000 1.122 70 N HN 0.635 nan 8.380 nan 0.000 0.510 71 K N 2.449 122.729 120.400 -0.200 0.000 2.156 71 K HA 0.653 4.973 4.320 0.000 0.000 0.250 71 K C -0.290 176.249 176.600 -0.101 0.000 0.955 71 K CA -0.800 55.394 56.287 -0.155 0.000 0.855 71 K CB 1.685 34.106 32.500 -0.132 0.000 1.101 71 K HN 0.428 nan 8.250 nan 0.000 0.434 72 M N -0.738 118.809 119.600 -0.089 0.000 2.484 72 M HA 0.485 4.965 4.480 0.000 0.000 0.289 72 M C -0.855 175.402 176.300 -0.070 0.000 1.206 72 M CA -0.832 54.428 55.300 -0.065 0.000 0.892 72 M CB 2.280 34.849 32.600 -0.051 0.000 1.712 72 M HN 0.671 nan 8.290 nan 0.000 0.462 73 G N 1.630 110.394 108.800 -0.060 0.000 2.320 73 G HA2 0.531 4.491 3.960 0.000 0.000 0.300 73 G HA3 0.531 4.491 3.960 0.000 0.000 0.300 73 G C -1.180 173.673 174.900 -0.078 0.000 1.126 73 G CA -0.617 44.438 45.100 -0.075 0.000 0.896 73 G HN 0.765 nan 8.290 nan 0.000 0.436 74 V N 4.899 124.742 119.914 -0.118 0.000 2.555 74 V HA 0.780 4.901 4.120 0.000 0.000 0.302 74 V C -2.266 173.729 176.094 -0.164 0.000 1.038 74 V CA -2.548 59.686 62.300 -0.110 0.000 0.887 74 V CB 2.795 34.559 31.823 -0.098 0.000 0.991 74 V HN 0.626 nan 8.190 nan 0.000 0.434 75 P HA 0.168 nan 4.420 nan 0.000 0.278 75 P C -0.802 176.476 177.300 -0.036 0.000 1.238 75 P CA -0.395 62.667 63.100 -0.062 0.000 0.794 75 P CB 0.669 32.380 31.700 0.018 0.000 0.955 76 W N 1.574 122.893 121.300 0.031 0.000 2.181 76 W HA 0.261 4.921 4.660 -0.000 0.000 0.335 76 W C -0.086 176.462 176.519 0.048 0.000 1.310 76 W CA -0.062 57.309 57.345 0.044 0.000 1.226 76 W CB 0.589 30.065 29.460 0.028 0.000 1.155 76 W HN 0.051 nan 8.180 nan 0.000 0.565 77 V N 3.705 123.844 119.914 0.375 0.000 2.483 77 V HA 0.298 4.418 4.120 0.000 0.000 0.297 77 V C -0.221 176.004 176.094 0.218 0.000 1.027 77 V CA -0.997 61.440 62.300 0.228 0.000 0.855 77 V CB 1.508 33.429 31.823 0.163 0.000 0.995 77 V HN 0.489 nan 8.190 nan 0.000 0.424 78 S N 3.305 119.092 115.700 0.146 0.000 2.541 78 S HA 0.631 5.101 4.470 0.000 0.000 0.283 78 S C -0.151 174.497 174.600 0.080 0.000 1.196 78 S CA -0.560 57.700 58.200 0.099 0.000 1.062 78 S CB 1.811 65.041 63.200 0.049 0.000 1.009 78 S HN 0.489 nan 8.310 nan 0.000 0.502 79 V N 3.586 123.544 119.914 0.073 0.000 2.313 79 V HA 0.202 4.322 4.120 0.000 0.000 0.262 79 V C 0.963 177.082 176.094 0.043 0.000 1.011 79 V CA -0.475 61.861 62.300 0.059 0.000 0.858 79 V CB 0.666 32.531 31.823 0.070 0.000 1.104 79 V HN 0.787 nan 8.190 nan 0.000 0.456 80 E N 1.704 121.921 120.200 0.029 0.000 2.136 80 E HA -0.278 4.072 4.350 0.000 0.000 0.202 80 E C 1.835 178.445 176.600 0.015 0.000 1.019 80 E CA 1.928 58.338 56.400 0.016 0.000 0.819 80 E CB 0.234 29.940 29.700 0.010 0.000 0.739 80 E HN 0.822 nan 8.360 nan 0.000 0.458 81 E N 0.096 120.306 120.200 0.018 0.000 2.147 81 E HA -0.167 4.183 4.350 0.000 0.000 0.199 81 E C 1.870 178.479 176.600 0.016 0.000 1.005 81 E CA 1.090 57.499 56.400 0.015 0.000 0.810 81 E CB -0.108 29.602 29.700 0.016 0.000 0.736 81 E HN 0.259 nan 8.360 nan 0.000 0.460 82 L N -1.184 120.054 121.223 0.025 0.000 2.693 82 L HA 0.313 4.653 4.340 0.000 0.000 0.235 82 L C 0.976 177.868 176.870 0.037 0.000 1.127 82 L CA 0.028 54.885 54.840 0.029 0.000 0.914 82 L CB 0.350 42.431 42.059 0.037 0.000 1.193 82 L HN 0.228 nan 8.230 nan 0.000 0.502 83 G N 1.293 110.112 108.800 0.031 0.000 2.295 83 G HA2 -0.270 3.690 3.960 0.000 0.000 0.287 83 G HA3 -0.270 3.690 3.960 0.000 0.000 0.287 83 G C -0.009 174.922 174.900 0.053 0.000 1.055 83 G CA 0.126 45.242 45.100 0.027 0.000 0.922 83 G HN 0.498 nan 8.290 nan 0.000 0.503 84 Q N -0.484 119.360 119.800 0.072 0.000 2.235 84 Q HA 0.595 4.935 4.340 0.000 0.000 0.256 84 Q C -0.579 175.495 176.000 0.123 0.000 0.951 84 Q CA -0.731 55.144 55.803 0.120 0.000 0.890 84 Q CB 1.554 30.373 28.738 0.134 0.000 1.279 84 Q HN 0.223 nan 8.270 nan 0.000 0.444 85 E N 2.548 122.861 120.200 0.189 0.000 2.141 85 E HA 0.420 4.770 4.350 0.000 0.000 0.259 85 E C -0.863 176.092 176.600 0.592 0.000 0.883 85 E CA -0.236 56.296 56.400 0.220 0.000 0.744 85 E CB 1.163 30.728 29.700 -0.225 0.000 1.150 85 E HN 0.484 nan 8.360 nan 0.000 0.420 86 I N 3.741 124.634 120.570 0.539 0.000 2.530 86 I HA 0.506 4.676 4.170 0.000 0.000 0.297 86 I C 0.315 176.662 176.117 0.384 0.000 1.011 86 I CA -1.234 60.341 61.300 0.460 0.000 1.107 86 I CB 1.597 39.748 38.000 0.252 0.000 1.285 86 I HN 0.350 nan 8.210 nan 0.000 0.436 87 I N 1.674 122.400 120.570 0.261 0.000 2.466 87 I HA 0.685 4.855 4.170 0.000 0.000 0.289 87 I C -0.685 175.468 176.117 0.059 0.000 1.026 87 I CA -0.293 61.038 61.300 0.051 0.000 1.078 87 I CB 2.122 40.032 38.000 -0.151 0.000 1.249 87 I HN 0.505 nan 8.210 nan 0.000 0.429 88 T N 3.495 118.068 114.554 0.032 0.000 2.900 88 T HA 0.890 5.240 4.350 0.000 0.000 0.295 88 T C -0.524 174.187 174.700 0.017 0.000 1.044 88 T CA -0.368 61.751 62.100 0.031 0.000 0.995 88 T CB 1.755 70.651 68.868 0.045 0.000 1.072 88 T HN 1.193 nan 8.240 nan 0.000 0.473 89 G N 2.782 111.596 108.800 0.023 0.000 2.673 89 G HA2 0.524 4.484 3.960 0.000 0.000 0.292 89 G HA3 0.524 4.484 3.960 0.000 0.000 0.292 89 G C -1.563 173.363 174.900 0.044 0.000 1.450 89 G CA -0.879 44.234 45.100 0.021 0.000 0.837 89 G HN 0.663 nan 8.290 nan 0.000 0.505 90 R N 1.372 121.903 120.500 0.050 0.000 2.205 90 R HA 0.246 4.586 4.340 0.000 0.000 0.342 90 R C 0.126 176.444 176.300 0.029 0.000 1.058 90 R CA -0.456 55.694 56.100 0.085 0.000 0.904 90 R CB 0.857 31.213 30.300 0.094 0.000 1.089 90 R HN 0.414 nan 8.270 nan 0.000 0.471 91 L N 5.692 126.890 121.223 -0.043 0.000 2.453 91 L HA 0.130 4.470 4.340 0.000 0.000 0.272 91 L C -1.328 175.369 176.870 -0.289 0.000 1.182 91 L CA -1.387 53.307 54.840 -0.242 0.000 0.858 91 L CB 0.522 42.240 42.059 -0.568 0.000 1.120 91 L HN 0.223 nan 8.230 nan 0.000 0.474 92 P HA 0.046 nan 4.420 nan 0.000 0.230 92 P C -0.502 176.676 177.300 -0.203 0.000 1.791 92 P CA -0.380 62.703 63.100 -0.028 0.000 1.020 92 P CB -0.442 31.299 31.700 0.068 0.000 1.977 93 F N 3.817 123.664 119.950 -0.173 0.000 2.580 93 F HA -0.031 4.496 4.527 0.000 0.000 0.398 93 F C -0.276 175.210 175.800 -0.524 0.000 1.023 93 F CA -1.075 56.627 58.000 -0.496 0.000 1.188 93 F CB -0.379 38.508 39.000 -0.189 0.000 1.005 93 F HN 0.268 nan 8.300 nan 0.000 0.546 94 P HA -0.091 nan 4.420 nan 0.000 0.230 94 P C 0.133 177.247 177.300 -0.311 0.000 1.158 94 P CA 0.853 63.629 63.100 -0.540 0.000 0.769 94 P CB 0.631 31.843 31.700 -0.812 0.000 0.807 95 S N -1.779 113.789 115.700 -0.220 0.000 2.611 95 S HA 0.307 4.777 4.470 0.000 0.000 0.268 95 S C -1.178 173.507 174.600 0.141 0.000 1.156 95 S CA -0.701 57.493 58.200 -0.011 0.000 0.817 95 S CB 1.121 64.332 63.200 0.017 0.000 1.122 95 S HN -0.235 nan 8.310 nan 0.000 0.466 96 V N 3.683 123.715 119.914 0.196 0.000 2.540 96 V HA 0.198 4.318 4.120 0.000 0.000 0.297 96 V C 1.998 178.217 176.094 0.209 0.000 1.024 96 V CA 1.257 63.656 62.300 0.166 0.000 1.105 96 V CB 0.413 32.296 31.823 0.099 0.000 0.938 96 V HN 1.094 nan 8.190 nan 0.000 0.482 97 G N 3.598 112.438 108.800 0.066 0.000 2.514 97 G HA2 0.273 4.233 3.960 0.000 0.000 0.217 97 G HA3 0.273 4.233 3.960 0.000 0.000 0.217 97 G C 0.658 175.574 174.900 0.027 0.000 1.198 97 G CA 0.986 46.080 45.100 -0.010 0.000 0.780 97 G HN 1.347 nan 8.290 nan 0.000 0.565 98 G N -2.790 106.004 108.800 -0.011 0.000 2.336 98 G HA2 0.438 4.398 3.960 0.000 0.000 0.286 98 G HA3 0.438 4.398 3.960 0.000 0.000 0.286 98 G C -1.225 173.632 174.900 -0.073 0.000 1.269 98 G CA 0.175 45.258 45.100 -0.030 0.000 0.873 98 G HN 0.356 nan 8.290 nan 0.000 0.494 99 T N 0.991 115.503 114.554 -0.070 0.000 2.942 99 T HA 0.614 4.964 4.350 0.000 0.000 0.289 99 T C -1.792 172.859 174.700 -0.081 0.000 1.044 99 T CA -0.982 61.084 62.100 -0.057 0.000 1.023 99 T CB 2.509 71.379 68.868 0.005 0.000 1.123 99 T HN 0.172 nan 8.240 nan 0.000 0.512 100 P HA -0.021 nan 4.420 nan 0.000 0.217 100 P C 1.321 178.587 177.300 -0.057 0.000 1.150 100 P CA 0.545 63.596 63.100 -0.082 0.000 0.832 100 P CB 0.043 31.697 31.700 -0.076 0.000 0.787 101 V N -1.101 118.782 119.914 -0.052 0.000 3.330 101 V HA -0.132 3.988 4.120 0.000 0.000 0.273 101 V C 0.985 177.044 176.094 -0.057 0.000 1.179 101 V CA 0.956 63.228 62.300 -0.046 0.000 1.174 101 V CB -1.738 30.060 31.823 -0.043 0.000 0.794 101 V HN 0.180 nan 8.190 nan 0.000 0.527 102 N N -0.195 118.463 118.700 -0.070 0.000 2.413 102 N HA 0.211 4.951 4.740 0.000 0.000 0.266 102 N C 0.163 175.638 175.510 -0.060 0.000 1.238 102 N CA -0.333 52.664 53.050 -0.089 0.000 0.972 102 N CB 0.559 38.984 38.487 -0.103 0.000 1.210 102 N HN 0.140 nan 8.380 nan 0.000 0.547 103 D N -0.636 119.729 120.400 -0.057 0.000 2.511 103 D HA 0.382 5.022 4.640 0.000 0.000 0.283 103 D C -0.306 175.970 176.300 -0.039 0.000 1.198 103 D CA -0.088 53.891 54.000 -0.035 0.000 1.097 103 D CB 0.350 41.135 40.800 -0.025 0.000 1.160 103 D HN 0.130 nan 8.370 nan 0.000 0.589 104 L N -0.262 120.940 121.223 -0.034 0.000 2.331 104 L HA 0.577 4.917 4.340 0.000 0.000 0.268 104 L C -0.083 176.745 176.870 -0.069 0.000 1.015 104 L CA -1.021 53.791 54.840 -0.047 0.000 0.807 104 L CB 0.769 42.810 42.059 -0.030 0.000 1.293 104 L HN 0.012 nan 8.230 nan 0.000 0.451 105 V N 0.652 120.506 119.914 -0.101 0.000 2.540 105 V HA 0.570 4.690 4.120 0.000 0.000 0.302 105 V C -0.494 175.541 176.094 -0.097 0.000 1.035 105 V CA -0.711 61.519 62.300 -0.118 0.000 0.873 105 V CB 1.659 33.366 31.823 -0.194 0.000 0.992 105 V HN 0.789 nan 8.190 nan 0.000 0.428 106 R N 5.203 125.663 120.500 -0.066 0.000 2.210 106 R HA 0.617 4.957 4.340 0.000 0.000 0.338 106 R C -0.572 175.704 176.300 -0.040 0.000 1.062 106 R CA -0.194 55.883 56.100 -0.038 0.000 0.902 106 R CB 1.107 31.401 30.300 -0.009 0.000 1.050 106 R HN 0.838 nan 8.270 nan 0.000 0.461 107 V N 2.597 122.490 119.914 -0.036 0.000 2.834 107 V HA 0.615 4.735 4.120 0.000 0.000 0.313 107 V C -0.950 175.162 176.094 0.030 0.000 1.060 107 V CA -1.080 61.210 62.300 -0.017 0.000 0.989 107 V CB 1.691 33.498 31.823 -0.027 0.000 1.041 107 V HN 0.597 nan 8.190 nan 0.000 0.459 108 L N 3.578 124.830 121.223 0.048 0.000 2.345 108 L HA 0.606 4.946 4.340 0.000 0.000 0.274 108 L C -0.241 176.701 176.870 0.120 0.000 0.999 108 L CA -0.015 54.878 54.840 0.089 0.000 0.849 108 L CB 1.510 43.605 42.059 0.060 0.000 1.220 108 L HN 0.714 nan 8.230 nan 0.000 0.422 109 V N 4.791 124.821 119.914 0.193 0.000 2.607 109 V HA 0.573 4.693 4.120 0.000 0.000 0.289 109 V C -0.249 176.064 176.094 0.366 0.000 1.053 109 V CA -0.575 61.860 62.300 0.226 0.000 0.996 109 V CB 1.749 33.668 31.823 0.160 0.000 0.995 109 V HN 0.409 nan 8.190 nan 0.000 0.476 110 V N 3.292 123.384 119.914 0.298 0.000 2.567 110 V HA 0.743 4.863 4.120 0.000 0.000 0.298 110 V C 0.017 176.315 176.094 0.340 0.000 1.047 110 V CA -0.512 61.972 62.300 0.307 0.000 0.880 110 V CB 1.591 33.514 31.823 0.166 0.000 1.009 110 V HN 1.024 nan 8.190 nan 0.000 0.429 111 A N 4.647 127.757 122.820 0.484 0.000 2.324 111 A HA 1.018 5.338 4.320 0.000 0.000 0.330 111 A C -0.283 177.616 177.584 0.525 0.000 1.165 111 A CA -0.360 51.991 52.037 0.523 0.000 0.813 111 A CB 1.273 20.626 19.000 0.588 0.000 1.197 111 A HN 1.061 nan 8.150 nan 0.000 0.484 112 E N -0.090 120.395 120.200 0.475 0.000 2.432 112 E HA 0.686 5.036 4.350 0.000 0.000 0.279 112 E C -0.953 175.629 176.600 -0.029 0.000 1.099 112 E CA -0.409 56.072 56.400 0.134 0.000 0.859 112 E CB 1.188 30.933 29.700 0.075 0.000 1.402 112 E HN 1.194 nan 8.360 nan 0.000 0.451 113 S N 0.108 115.624 115.700 -0.307 0.000 2.636 113 S HA 0.444 4.914 4.470 0.000 0.000 0.268 113 S C -1.070 173.395 174.600 -0.224 0.000 1.159 113 S CA -1.149 56.929 58.200 -0.204 0.000 0.815 113 S CB 0.561 63.663 63.200 -0.163 0.000 1.130 113 S HN 0.504 nan 8.310 nan 0.000 0.471 114 N N 2.129 120.742 118.700 -0.145 0.000 2.441 114 N HA 0.245 4.985 4.740 0.000 0.000 0.251 114 N C -0.060 175.235 175.510 -0.358 0.000 1.242 114 N CA 0.417 53.369 53.050 -0.163 0.000 0.898 114 N CB 0.319 38.751 38.487 -0.091 0.000 1.100 114 N HN 0.845 nan 8.380 nan 0.000 0.443 115 T N -0.718 113.626 114.554 -0.350 0.000 2.739 115 T HA 0.286 4.636 4.350 0.000 0.000 0.298 115 T C -2.029 172.450 174.700 -0.368 0.000 0.929 115 T CA -1.488 60.259 62.100 -0.588 0.000 1.014 115 T CB 0.388 69.128 68.868 -0.213 0.000 0.914 115 T HN 0.304 nan 8.240 nan 0.000 0.509 116 P HA 0.087 nan 4.420 nan 0.000 0.269 116 P C 0.713 177.980 177.300 -0.056 0.000 1.211 116 P CA -0.138 62.886 63.100 -0.127 0.000 0.781 116 P CB 0.957 32.645 31.700 -0.019 0.000 0.877 117 E N 0.683 120.871 120.200 -0.019 0.000 2.016 117 E HA -0.120 4.230 4.350 0.000 0.000 0.190 117 E C -0.042 176.573 176.600 0.025 0.000 0.985 117 E CA 1.454 57.854 56.400 0.000 0.000 0.802 117 E CB -0.311 29.389 29.700 -0.001 0.000 0.762 117 E HN 0.497 nan 8.360 nan 0.000 0.448 118 E N 0.150 120.370 120.200 0.033 0.000 2.197 118 E HA 0.256 4.606 4.350 0.000 0.000 0.281 118 E C -0.964 175.688 176.600 0.086 0.000 0.995 118 E CA -0.196 56.233 56.400 0.049 0.000 0.808 118 E CB 1.544 31.266 29.700 0.037 0.000 1.093 118 E HN -0.073 nan 8.360 nan 0.000 0.394 119 T N 5.972 120.590 114.554 0.107 0.000 2.793 119 T HA 0.109 4.459 4.350 0.000 0.000 0.289 119 T C -1.723 173.073 174.700 0.159 0.000 0.956 119 T CA -0.968 61.232 62.100 0.166 0.000 1.177 119 T CB -0.239 68.713 68.868 0.142 0.000 0.897 119 T HN 0.369 nan 8.240 nan 0.000 0.533 120 P HA 0.156 nan 4.420 nan 0.000 0.275 120 P C 0.826 178.221 177.300 0.158 0.000 1.266 120 P CA -0.512 62.690 63.100 0.170 0.000 0.793 120 P CB 1.010 32.838 31.700 0.214 0.000 1.074 121 E N -0.172 120.091 120.200 0.105 0.000 2.158 121 E HA -0.070 4.280 4.350 0.000 0.000 0.191 121 E C 0.300 176.972 176.600 0.120 0.000 0.982 121 E CA 0.382 56.836 56.400 0.090 0.000 0.823 121 E CB -0.076 29.654 29.700 0.050 0.000 0.766 121 E HN 0.483 nan 8.360 nan 0.000 0.468 122 E N 2.572 122.864 120.200 0.153 0.000 2.266 122 E HA 0.113 4.463 4.350 0.000 0.000 0.277 122 E C -0.270 176.573 176.600 0.405 0.000 1.018 122 E CA -0.570 55.959 56.400 0.215 0.000 0.840 122 E CB 1.265 31.069 29.700 0.173 0.000 1.082 122 E HN 0.415 nan 8.360 nan 0.000 0.395 123 E N 1.896 122.311 120.200 0.359 0.000 2.292 123 E HA 0.334 4.684 4.350 0.000 0.000 0.258 123 E C -0.974 175.907 176.600 0.469 0.000 1.115 123 E CA -0.914 55.695 56.400 0.348 0.000 0.929 123 E CB 0.643 30.419 29.700 0.126 0.000 1.161 123 E HN 0.364 nan 8.360 nan 0.000 0.453 124 F N 2.193 122.076 119.950 -0.111 0.000 2.504 124 F HA 0.272 4.799 4.527 0.000 0.000 0.369 124 F C -1.111 174.713 175.800 0.040 0.000 1.082 124 F CA -0.145 57.631 58.000 -0.373 0.000 1.216 124 F CB 0.298 38.887 39.000 -0.685 0.000 1.108 124 F HN 0.449 nan 8.300 nan 0.000 0.554 125 Y N 4.965 124.943 120.300 -0.537 0.000 2.479 125 Y HA 0.700 5.250 4.550 0.000 0.000 0.338 125 Y C -1.902 173.747 175.900 -0.417 0.000 1.055 125 Y CA -1.272 56.623 58.100 -0.342 0.000 1.023 125 Y CB 1.302 39.739 38.460 -0.037 0.000 1.287 125 Y HN 0.820 nan 8.280 nan 0.000 0.447 126 A N 4.988 127.156 122.820 -1.087 0.000 2.459 126 A HA 0.572 4.892 4.320 0.000 0.000 0.296 126 A C -2.736 174.406 177.584 -0.737 0.000 1.039 126 A CA -0.561 50.798 52.037 -1.130 0.000 0.698 126 A CB 0.890 19.376 19.000 -0.857 0.000 1.261 126 A HN 0.756 nan 8.150 nan 0.000 0.405 127 Y N 2.804 122.564 120.300 -0.901 0.000 2.334 127 Y HA 0.591 5.141 4.550 0.000 0.000 0.336 127 Y C -0.964 174.618 175.900 -0.531 0.000 0.960 127 Y CA -0.950 56.827 58.100 -0.537 0.000 1.164 127 Y CB 1.391 39.684 38.460 -0.277 0.000 1.155 127 Y HN 0.491 nan 8.280 nan 0.000 0.478 128 V N 7.051 126.291 119.914 -1.123 0.000 2.513 128 V HA 0.454 4.574 4.120 0.000 0.000 0.299 128 V C -0.916 174.590 176.094 -0.979 0.000 1.035 128 V CA -0.786 60.966 62.300 -0.913 0.000 0.889 128 V CB 1.731 33.100 31.823 -0.757 0.000 0.988 128 V HN 0.764 nan 8.190 nan 0.000 0.440 129 E N 5.143 124.965 120.200 -0.631 0.000 2.314 129 E HA 0.650 5.000 4.350 0.000 0.000 0.272 129 E C -1.646 174.846 176.600 -0.180 0.000 0.884 129 E CA -0.957 55.191 56.400 -0.420 0.000 0.753 129 E CB 2.511 31.987 29.700 -0.373 0.000 1.213 129 E HN 0.475 nan 8.360 nan 0.000 0.432 130 L N 2.985 124.172 121.223 -0.060 0.000 2.297 130 L HA 0.255 4.595 4.340 0.000 0.000 0.277 130 L C -0.297 176.650 176.870 0.127 0.000 1.040 130 L CA -0.680 54.184 54.840 0.039 0.000 0.867 130 L CB 0.747 42.826 42.059 0.034 0.000 1.244 130 L HN 0.574 nan 8.230 nan 0.000 0.433 131 Q N 1.525 121.378 119.800 0.087 0.000 2.278 131 Q HA 0.550 4.890 4.340 0.000 0.000 0.257 131 Q C 0.033 176.116 176.000 0.139 0.000 0.928 131 Q CA -0.726 55.136 55.803 0.099 0.000 0.932 131 Q CB 1.896 30.654 28.738 0.032 0.000 1.221 131 Q HN 0.557 nan 8.270 nan 0.000 0.434 132 T N -1.029 113.638 114.554 0.189 0.000 2.898 132 T HA 0.256 4.606 4.350 0.000 0.000 0.283 132 T C 0.753 175.551 174.700 0.163 0.000 1.059 132 T CA -0.268 61.965 62.100 0.222 0.000 0.958 132 T CB 0.965 70.073 68.868 0.400 0.000 1.594 132 T HN 0.744 nan 8.240 nan 0.000 0.598 133 E N -0.359 119.948 120.200 0.178 0.000 2.005 133 E HA 0.003 4.353 4.350 0.000 0.000 0.191 133 E C 2.097 178.764 176.600 0.113 0.000 0.987 133 E CA 0.818 57.292 56.400 0.123 0.000 0.814 133 E CB -0.233 29.533 29.700 0.110 0.000 0.772 133 E HN 0.539 nan 8.360 nan 0.000 0.453 134 L N -0.486 120.833 121.223 0.161 0.000 1.961 134 L HA -0.088 4.252 4.340 0.000 0.000 0.209 134 L C 1.407 178.340 176.870 0.106 0.000 1.075 134 L CA 0.803 55.726 54.840 0.137 0.000 0.749 134 L CB -0.416 41.755 42.059 0.187 0.000 0.890 134 L HN 0.174 nan 8.230 nan 0.000 0.433 135 Y N -0.435 119.832 120.300 -0.054 0.000 2.392 135 Y HA 0.212 4.762 4.550 -0.000 0.000 0.323 135 Y C -0.254 175.511 175.900 -0.225 0.000 1.291 135 Y CA -0.483 57.466 58.100 -0.253 0.000 1.345 135 Y CB 1.368 39.481 38.460 -0.578 0.000 1.320 135 Y HN -0.175 nan 8.280 nan 0.000 0.518 136 T N 4.675 118.859 114.554 -0.617 0.000 3.089 136 T HA 0.286 4.636 4.350 0.000 0.000 0.340 136 T C -1.385 173.102 174.700 -0.354 0.000 1.008 136 T CA -0.522 61.395 62.100 -0.303 0.000 1.096 136 T CB -0.629 68.088 68.868 -0.252 0.000 1.024 136 T HN 0.285 nan 8.240 nan 0.000 0.477 137 F N 2.173 122.122 119.950 -0.003 0.000 2.571 137 F HA 0.460 4.987 4.527 0.000 0.000 0.384 137 F C 1.385 177.134 175.800 -0.085 0.000 1.058 137 F CA -0.129 57.901 58.000 0.050 0.000 1.200 137 F CB 0.444 39.452 39.000 0.012 0.000 1.077 137 F HN 0.514 nan 8.300 nan 0.000 0.558 138 G N 4.327 113.157 108.800 0.050 0.000 2.416 138 G HA2 0.566 4.526 3.960 0.000 0.000 0.329 138 G HA3 0.566 4.526 3.960 0.000 0.000 0.329 138 G C -1.161 173.702 174.900 -0.062 0.000 1.173 138 G CA -0.758 44.308 45.100 -0.058 0.000 0.929 138 G HN 0.376 nan 8.290 nan 0.000 0.475 139 L N 3.144 124.181 121.223 -0.309 0.000 2.282 139 L HA 0.296 4.636 4.340 0.000 0.000 0.287 139 L C 1.090 177.892 176.870 -0.114 0.000 1.075 139 L CA -0.331 54.287 54.840 -0.371 0.000 0.839 139 L CB -0.254 41.173 42.059 -1.055 0.000 1.219 139 L HN 0.672 nan 8.230 nan 0.000 0.434 140 S N 1.237 117.036 115.700 0.165 0.000 2.694 140 S HA 0.331 4.801 4.470 0.000 0.000 0.278 140 S C 0.799 175.621 174.600 0.370 0.000 1.152 140 S CA -0.753 57.612 58.200 0.274 0.000 1.010 140 S CB 1.421 64.731 63.200 0.183 0.000 1.104 140 S HN 0.525 nan 8.310 nan 0.000 0.547 141 D N 0.592 121.156 120.400 0.273 0.000 2.178 141 D HA -0.079 4.561 4.640 0.000 0.000 0.201 141 D C 0.812 177.218 176.300 0.176 0.000 0.980 141 D CA 1.042 55.176 54.000 0.224 0.000 0.842 141 D CB -0.396 40.483 40.800 0.131 0.000 0.948 141 D HN 0.549 nan 8.370 nan 0.000 0.472 142 D N 0.209 120.703 120.400 0.156 0.000 2.378 142 D HA -0.036 4.604 4.640 0.000 0.000 0.227 142 D C 0.864 177.258 176.300 0.157 0.000 1.012 142 D CA 0.401 54.475 54.000 0.124 0.000 0.905 142 D CB -0.188 40.670 40.800 0.098 0.000 0.895 142 D HN 0.268 nan 8.370 nan 0.000 0.532 143 N N -0.953 117.896 118.700 0.247 0.000 2.220 143 N HA 0.031 4.771 4.740 0.000 0.000 0.195 143 N C -0.063 175.655 175.510 0.347 0.000 1.123 143 N CA -0.102 53.131 53.050 0.305 0.000 0.874 143 N CB 1.304 39.996 38.487 0.343 0.000 0.995 143 N HN -0.151 nan 8.380 nan 0.000 0.498 144 V N 1.477 121.527 119.914 0.227 0.000 2.740 144 V HA 0.035 4.155 4.120 0.000 0.000 0.303 144 V C 1.250 177.333 176.094 -0.017 0.000 1.054 144 V CA 0.187 62.438 62.300 -0.081 0.000 1.106 144 V CB 1.452 33.154 31.823 -0.202 0.000 0.957 144 V HN 0.124 nan 8.190 nan 0.000 0.486 145 V N 0.745 120.639 119.914 -0.033 0.000 3.382 145 V HA 0.554 4.674 4.120 0.000 0.000 0.296 145 V C -0.232 175.937 176.094 0.125 0.000 1.529 145 V CA -0.071 62.258 62.300 0.049 0.000 1.048 145 V CB 0.025 31.896 31.823 0.080 0.000 0.878 145 V HN 0.612 nan 8.190 nan 0.000 0.442 146 F N 0.069 119.927 119.950 -0.153 0.000 2.725 146 F HA 0.662 5.189 4.527 0.000 0.000 0.311 146 F C -0.996 174.683 175.800 -0.201 0.000 1.121 146 F CA 0.161 58.076 58.000 -0.141 0.000 0.978 146 F CB 1.590 40.530 39.000 -0.101 0.000 1.274 146 F HN -0.013 nan 8.300 nan 0.000 0.440 147 T N 2.307 116.243 114.554 -1.031 0.000 2.841 147 T HA 0.864 5.214 4.350 0.000 0.000 0.296 147 T C -1.230 172.959 174.700 -0.852 0.000 1.166 147 T CA -0.525 61.172 62.100 -0.672 0.000 1.007 147 T CB 1.803 70.412 68.868 -0.432 0.000 1.253 147 T HN 0.970 nan 8.240 nan 0.000 0.511 148 S N -0.719 114.751 115.700 -0.382 0.000 2.627 148 S HA 0.333 4.803 4.470 0.000 0.000 0.268 148 S C -0.139 174.344 174.600 -0.195 0.000 1.130 148 S CA -0.836 57.216 58.200 -0.247 0.000 0.819 148 S CB 0.779 63.956 63.200 -0.039 0.000 1.100 148 S HN 0.546 nan 8.310 nan 0.000 0.465 149 D N 0.265 120.539 120.400 -0.209 0.000 2.170 149 D HA -0.150 4.490 4.640 0.000 0.000 0.193 149 D C 0.021 175.810 176.300 -0.851 0.000 1.004 149 D CA 2.261 55.993 54.000 -0.446 0.000 0.860 149 D CB -0.280 40.338 40.800 -0.303 0.000 0.931 149 D HN 0.649 nan 8.370 nan 0.000 0.448 150 Y N -0.522 119.671 120.300 -0.178 0.000 2.555 150 Y HA 0.454 5.004 4.550 0.000 0.000 0.317 150 Y C 0.132 175.757 175.900 -0.458 0.000 0.928 150 Y CA -0.529 57.240 58.100 -0.551 0.000 1.116 150 Y CB 0.743 38.840 38.460 -0.605 0.000 1.169 150 Y HN -0.177 nan 8.280 nan 0.000 0.627 151 M N 0.606 120.216 119.600 0.017 0.000 2.447 151 M HA 0.427 4.907 4.480 0.000 0.000 0.292 151 M C -2.045 174.326 176.300 0.119 0.000 1.083 151 M CA 0.115 55.507 55.300 0.154 0.000 0.907 151 M CB 1.531 34.214 32.600 0.138 0.000 1.829 151 M HN 0.101 nan 8.290 nan 0.000 0.518 152 T N 2.971 117.557 114.554 0.053 0.000 2.909 152 T HA 0.764 5.114 4.350 0.000 0.000 0.299 152 T C -1.406 173.088 174.700 -0.345 0.000 1.073 152 T CA -0.620 61.278 62.100 -0.337 0.000 0.999 152 T CB 2.236 70.610 68.868 -0.823 0.000 1.098 152 T HN 0.472 nan 8.240 nan 0.000 0.477 153 V N 2.387 122.082 119.914 -0.366 0.000 2.525 153 V HA 0.485 4.605 4.120 0.000 0.000 0.299 153 V C -0.944 175.071 176.094 -0.133 0.000 1.034 153 V CA -0.962 61.285 62.300 -0.089 0.000 0.863 153 V CB 1.588 33.455 31.823 0.072 0.000 0.999 153 V HN 0.782 nan 8.190 nan 0.000 0.423 154 W N 4.857 126.202 121.300 0.075 0.000 2.551 154 W HA 0.671 5.331 4.660 0.000 0.000 0.330 154 W C -0.078 176.469 176.519 0.047 0.000 1.063 154 W CA -0.765 56.615 57.345 0.059 0.000 1.222 154 W CB 2.080 31.563 29.460 0.039 0.000 1.349 154 W HN 0.465 nan 8.180 nan 0.000 0.536 155 M N 3.982 123.749 119.600 0.278 0.000 2.578 155 M HA 0.764 5.244 4.480 0.000 0.000 0.321 155 M C -1.449 174.940 176.300 0.149 0.000 1.182 155 M CA -0.501 54.899 55.300 0.168 0.000 0.965 155 M CB 2.552 35.225 32.600 0.123 0.000 1.694 155 M HN 0.521 nan 8.290 nan 0.000 0.461 156 I N 1.900 122.525 120.570 0.092 0.000 2.721 156 I HA 0.231 4.401 4.170 0.000 0.000 0.292 156 I C -2.076 174.049 176.117 0.014 0.000 1.674 156 I CA -0.557 60.784 61.300 0.068 0.000 0.993 156 I CB 2.165 40.210 38.000 0.075 0.000 1.448 156 I HN 0.651 nan 8.210 nan 0.000 0.500 157 D N 7.909 128.317 120.400 0.013 0.000 2.349 157 D HA 0.569 5.210 4.640 0.000 0.000 0.232 157 D C -0.646 175.609 176.300 -0.075 0.000 1.071 157 D CA 0.133 54.117 54.000 -0.027 0.000 0.832 157 D CB 2.097 42.898 40.800 0.002 0.000 1.086 157 D HN 0.308 nan 8.370 nan 0.000 0.504 158 I N 2.499 122.957 120.570 -0.187 0.000 2.530 158 I HA 0.253 4.423 4.170 0.000 0.000 0.297 158 I C -2.379 173.642 176.117 -0.159 0.000 1.011 158 I CA -2.488 58.592 61.300 -0.368 0.000 1.107 158 I CB 2.498 40.071 38.000 -0.711 0.000 1.285 158 I HN -0.103 nan 8.210 nan 0.000 0.436 159 P HA 0.093 nan 4.420 nan 0.000 0.267 159 P C 0.156 177.467 177.300 0.019 0.000 1.209 159 P CA -0.061 63.100 63.100 0.100 0.000 0.763 159 P CB 0.535 32.424 31.700 0.314 0.000 0.816 160 K N 1.980 122.339 120.400 -0.068 0.000 2.097 160 K HA -0.244 4.076 4.320 0.000 0.000 0.214 160 K C 1.927 178.447 176.600 -0.133 0.000 1.052 160 K CA 2.505 58.717 56.287 -0.124 0.000 0.932 160 K CB -0.575 31.854 32.500 -0.119 0.000 0.716 160 K HN 0.562 nan 8.250 nan 0.000 0.455 161 S N -0.162 115.453 115.700 -0.140 0.000 2.469 161 S HA -0.162 4.308 4.470 0.000 0.000 0.238 161 S C 1.770 176.230 174.600 -0.233 0.000 0.998 161 S CA 0.878 58.964 58.200 -0.190 0.000 0.957 161 S CB -0.434 62.631 63.200 -0.226 0.000 0.764 161 S HN 0.259 nan 8.310 nan 0.000 0.514 162 Y N 1.764 121.977 120.300 -0.145 0.000 2.314 162 Y HA 0.196 4.746 4.550 -0.000 0.000 0.293 162 Y C 1.222 176.957 175.900 -0.276 0.000 1.129 162 Y CA 0.092 58.102 58.100 -0.149 0.000 1.201 162 Y CB -0.176 38.193 38.460 -0.152 0.000 0.999 162 Y HN 0.115 nan 8.280 nan 0.000 0.541 163 V N 2.163 121.949 119.914 -0.213 0.000 2.287 163 V HA 0.167 4.287 4.120 0.000 0.000 0.246 163 V C -0.306 175.346 176.094 -0.736 0.000 1.165 163 V CA 0.158 62.174 62.300 -0.474 0.000 1.088 163 V CB -0.511 31.109 31.823 -0.339 0.000 1.242 163 V HN 0.216 nan 8.190 nan 0.000 0.497 164 D N 2.167 121.946 120.400 -1.035 0.000 2.879 164 D HA 0.199 4.839 4.640 0.000 0.000 0.346 164 D C -0.664 175.294 176.300 -0.571 0.000 1.390 164 D CA -0.439 53.077 54.000 -0.807 0.000 0.838 164 D CB 2.186 42.828 40.800 -0.265 0.000 1.416 164 D HN 0.041 nan 8.370 nan 0.000 0.493 165 V N 0.718 120.601 119.914 -0.052 0.000 2.694 165 V HA 0.440 4.560 4.120 0.000 0.000 0.306 165 V C 1.716 177.853 176.094 0.071 0.000 1.054 165 V CA 1.746 64.130 62.300 0.141 0.000 1.161 165 V CB 0.446 32.368 31.823 0.166 0.000 0.916 165 V HN 0.957 nan 8.190 nan 0.000 0.490 166 G N 3.828 112.700 108.800 0.120 0.000 2.307 166 G HA2 -0.221 3.739 3.960 0.000 0.000 0.210 166 G HA3 -0.221 3.739 3.960 0.000 0.000 0.210 166 G C 0.260 175.227 174.900 0.112 0.000 1.005 166 G CA 0.140 45.299 45.100 0.098 0.000 0.634 166 G HN 0.707 nan 8.290 nan 0.000 0.496 167 M N 2.471 122.134 119.600 0.106 0.000 2.135 167 M HA 0.698 5.178 4.480 0.000 0.000 0.345 167 M C -0.106 176.325 176.300 0.218 0.000 1.340 167 M CA -0.771 54.611 55.300 0.136 0.000 1.162 167 M CB 0.588 33.211 32.600 0.038 0.000 1.570 167 M HN 0.242 nan 8.290 nan 0.000 0.454 168 L N 5.446 126.763 121.223 0.157 0.000 2.371 168 L HA 0.458 4.798 4.340 0.000 0.000 0.272 168 L C -0.557 176.379 176.870 0.110 0.000 1.124 168 L CA 0.671 55.590 54.840 0.133 0.000 0.816 168 L CB 1.615 43.729 42.059 0.092 0.000 1.129 168 L HN 0.657 nan 8.230 nan 0.000 0.448 169 T N 5.850 120.458 114.554 0.090 0.000 2.758 169 T HA 0.487 4.837 4.350 0.000 0.000 0.285 169 T C -0.428 174.275 174.700 0.005 0.000 0.981 169 T CA -0.400 61.725 62.100 0.043 0.000 0.965 169 T CB 0.564 69.460 68.868 0.046 0.000 0.927 169 T HN 0.575 nan 8.240 nan 0.000 0.448 170 R N 1.974 122.448 120.500 -0.043 0.000 2.561 170 R HA 0.736 5.076 4.340 0.000 0.000 0.297 170 R C -1.593 174.629 176.300 -0.129 0.000 0.969 170 R CA -0.680 55.391 56.100 -0.048 0.000 0.879 170 R CB 1.227 31.508 30.300 -0.030 0.000 1.178 170 R HN 0.690 nan 8.270 nan 0.000 0.445 171 A N 2.874 125.651 122.820 -0.073 0.000 2.335 171 A HA 0.464 4.784 4.320 0.000 0.000 0.304 171 A C -1.000 176.504 177.584 -0.134 0.000 1.118 171 A CA -0.611 51.306 52.037 -0.200 0.000 0.757 171 A CB 1.760 20.707 19.000 -0.089 0.000 1.188 171 A HN 0.653 nan 8.150 nan 0.000 0.460 172 T N 2.941 117.330 114.554 -0.274 0.000 2.749 172 T HA 0.627 4.977 4.350 0.000 0.000 0.287 172 T C -0.646 173.864 174.700 -0.316 0.000 0.970 172 T CA 0.218 62.271 62.100 -0.080 0.000 0.980 172 T CB -0.025 68.878 68.868 0.057 0.000 0.924 172 T HN 0.364 nan 8.240 nan 0.000 0.456 173 F N 1.017 121.077 119.950 0.184 0.000 2.613 173 F HA 0.549 5.076 4.527 0.000 0.000 0.342 173 F C 1.036 176.953 175.800 0.194 0.000 1.066 173 F CA -1.296 56.821 58.000 0.195 0.000 1.002 173 F CB 1.135 40.386 39.000 0.419 0.000 1.319 173 F HN 0.324 nan 8.300 nan 0.000 0.495 174 L N -0.459 121.030 121.223 0.443 0.000 2.609 174 L HA 0.289 4.629 4.340 0.000 0.000 0.230 174 L C -0.215 176.690 176.870 0.059 0.000 1.087 174 L CA 0.425 55.418 54.840 0.256 0.000 0.874 174 L CB 0.089 42.329 42.059 0.303 0.000 1.114 174 L HN 0.447 nan 8.230 nan 0.000 0.488 175 E N 0.250 120.442 120.200 -0.014 0.000 2.343 175 E HA 0.285 4.635 4.350 0.000 0.000 0.270 175 E C -0.927 175.260 176.600 -0.688 0.000 0.895 175 E CA -0.418 55.699 56.400 -0.471 0.000 0.767 175 E CB 1.567 30.698 29.700 -0.949 0.000 1.248 175 E HN 0.024 nan 8.360 nan 0.000 0.440 176 Q N 1.416 120.678 119.800 -0.896 0.000 3.027 176 Q HA 0.138 4.478 4.340 0.000 0.000 0.260 176 Q C -0.699 175.034 176.000 -0.445 0.000 1.379 176 Q CA -0.314 54.684 55.803 -1.341 0.000 1.038 176 Q CB -0.240 27.625 28.738 -1.454 0.000 1.578 176 Q HN 0.236 nan 8.270 nan 0.000 0.571 177 W N 2.550 123.791 121.300 -0.098 0.000 2.295 177 W HA 0.088 4.748 4.660 -0.000 0.000 0.335 177 W C -1.987 174.614 176.519 0.136 0.000 1.351 177 W CA -1.512 55.884 57.345 0.085 0.000 1.273 177 W CB -0.318 29.279 29.460 0.228 0.000 1.214 177 W HN 0.315 nan 8.180 nan 0.000 0.563 178 P HA 0.138 nan 4.420 nan 0.000 0.271 178 P C 0.735 178.116 177.300 0.135 0.000 1.216 178 P CA 0.991 64.196 63.100 0.175 0.000 0.771 178 P CB 0.835 32.586 31.700 0.085 0.000 0.864 179 G N 2.059 110.916 108.800 0.095 0.000 2.153 179 G HA2 -0.207 3.753 3.960 0.000 0.000 0.252 179 G HA3 -0.207 3.753 3.960 0.000 0.000 0.252 179 G C 0.446 175.361 174.900 0.025 0.000 0.994 179 G CA -0.005 45.110 45.100 0.026 0.000 0.698 179 G HN 0.825 nan 8.290 nan 0.000 0.521 180 A N 0.030 122.903 122.820 0.088 0.000 2.488 180 A HA 0.623 4.943 4.320 0.000 0.000 0.249 180 A C 0.612 178.163 177.584 -0.055 0.000 1.083 180 A CA 1.168 53.234 52.037 0.048 0.000 0.768 180 A CB 0.290 19.324 19.000 0.057 0.000 1.017 180 A HN 1.502 nan 8.150 nan 0.000 0.496 181 K N 0.569 120.999 120.400 0.049 0.000 2.556 181 K HA 0.710 5.030 4.320 0.000 0.000 0.274 181 K C -1.793 174.910 176.600 0.172 0.000 0.966 181 K CA -0.876 55.435 56.287 0.040 0.000 0.865 181 K CB 1.796 34.289 32.500 -0.012 0.000 1.444 181 K HN 0.293 nan 8.250 nan 0.000 0.433 182 V N 1.098 121.086 119.914 0.123 0.000 2.604 182 V HA 0.547 4.667 4.120 0.000 0.000 0.305 182 V C -0.894 175.234 176.094 0.056 0.000 1.043 182 V CA -0.567 61.820 62.300 0.145 0.000 0.888 182 V CB 1.933 33.832 31.823 0.126 0.000 0.995 182 V HN 0.935 nan 8.190 nan 0.000 0.429 183 T N 3.279 117.872 114.554 0.065 0.000 2.881 183 T HA 0.542 4.892 4.350 0.000 0.000 0.290 183 T C -0.694 174.022 174.700 0.027 0.000 1.000 183 T CA -0.444 61.659 62.100 0.005 0.000 0.978 183 T CB 1.811 70.667 68.868 -0.020 0.000 0.997 183 T HN 0.347 nan 8.240 nan 0.000 0.443 184 V N 4.591 124.509 119.914 0.005 0.000 2.328 184 V HA 0.389 4.509 4.120 0.000 0.000 0.278 184 V C 0.010 176.130 176.094 0.044 0.000 1.021 184 V CA -0.655 61.676 62.300 0.052 0.000 0.838 184 V CB 1.026 32.910 31.823 0.102 0.000 0.999 184 V HN 0.882 nan 8.190 nan 0.000 0.447 185 M N 6.317 125.938 119.600 0.034 0.000 2.108 185 M HA 0.482 4.962 4.480 0.000 0.000 0.347 185 M C -0.668 175.661 176.300 0.048 0.000 1.326 185 M CA 0.156 55.464 55.300 0.013 0.000 1.126 185 M CB 0.605 33.197 32.600 -0.012 0.000 1.606 185 M HN 0.459 nan 8.290 nan 0.000 0.462 186 I N 6.806 127.450 120.570 0.123 0.000 2.330 186 I HA 0.310 4.480 4.170 0.000 0.000 0.286 186 I C -2.027 174.069 176.117 -0.036 0.000 1.025 186 I CA -2.027 59.305 61.300 0.054 0.000 1.197 186 I CB 1.147 39.243 38.000 0.159 0.000 1.358 186 I HN 0.331 nan 8.210 nan 0.000 0.467 187 P HA 0.061 nan 4.420 nan 0.000 0.276 187 P C -0.533 176.664 177.300 -0.172 0.000 1.253 187 P CA 0.157 63.211 63.100 -0.077 0.000 0.766 187 P CB 0.653 32.319 31.700 -0.057 0.000 0.845 188 Y N 1.346 121.662 120.300 0.028 0.000 2.481 188 Y HA 0.079 4.629 4.550 0.000 0.000 0.258 188 Y C 1.583 177.529 175.900 0.076 0.000 1.103 188 Y CA 0.591 58.696 58.100 0.009 0.000 1.287 188 Y CB 0.743 39.273 38.460 0.117 0.000 1.108 188 Y HN 0.430 nan 8.280 nan 0.000 0.529 189 S N -1.986 113.877 115.700 0.272 0.000 2.615 189 S HA 0.194 4.664 4.470 0.000 0.000 0.269 189 S C 0.836 175.536 174.600 0.168 0.000 1.161 189 S CA -0.202 58.137 58.200 0.231 0.000 0.817 189 S CB 0.898 64.278 63.200 0.299 0.000 1.131 189 S HN 0.089 nan 8.310 nan 0.000 0.467 190 S N 0.203 115.985 115.700 0.136 0.000 2.440 190 S HA -0.071 4.399 4.470 0.000 0.000 0.238 190 S C 1.300 175.966 174.600 0.110 0.000 1.010 190 S CA 1.626 59.884 58.200 0.097 0.000 0.972 190 S CB -1.137 62.113 63.200 0.083 0.000 0.774 190 S HN 1.640 nan 8.310 nan 0.000 0.501 191 T N -2.955 111.698 114.554 0.165 0.000 3.231 191 T HA 0.484 4.834 4.350 0.000 0.000 0.292 191 T C -0.585 174.283 174.700 0.280 0.000 1.001 191 T CA -0.696 61.514 62.100 0.183 0.000 0.920 191 T CB -0.375 68.597 68.868 0.175 0.000 1.140 191 T HN 0.266 nan 8.240 nan 0.000 0.525 192 F N 1.792 121.803 119.950 0.101 0.000 2.585 192 F HA 0.637 5.164 4.527 0.000 0.000 0.319 192 F C -1.357 174.510 175.800 0.111 0.000 1.165 192 F CA -0.479 57.571 58.000 0.083 0.000 0.949 192 F CB 2.209 41.272 39.000 0.106 0.000 1.218 192 F HN -0.025 nan 8.300 nan 0.000 0.453 193 T N 5.343 119.494 114.554 -0.671 0.000 2.840 193 T HA 0.180 4.530 4.350 0.000 0.000 0.287 193 T C -1.735 172.610 174.700 -0.592 0.000 0.991 193 T CA -0.269 61.574 62.100 -0.430 0.000 0.964 193 T CB 0.706 69.453 68.868 -0.203 0.000 0.954 193 T HN 0.602 nan 8.240 nan 0.000 0.438 194 W N 4.069 125.089 121.300 -0.466 0.000 2.391 194 W HA 0.562 5.222 4.660 0.000 0.000 0.311 194 W C -0.872 175.573 176.519 -0.122 0.000 1.087 194 W CA -0.650 56.512 57.345 -0.304 0.000 1.209 194 W CB 0.655 30.080 29.460 -0.057 0.000 1.273 194 W HN 0.556 nan 8.180 nan 0.000 0.482 195 c N 5.699 123.930 118.600 -0.616 0.000 2.264 195 c HA 0.669 5.239 4.570 0.000 0.000 0.324 195 c C 0.892 174.382 174.090 -1.000 0.000 1.267 195 c CA -0.660 55.343 56.329 -0.544 0.000 1.618 195 c CB 0.010 42.301 42.510 -0.364 0.000 2.278 195 c HN 0.829 nan 8.230 nan 0.000 0.499 196 G N 2.483 110.866 108.800 -0.695 0.000 2.325 196 G HA2 0.535 4.495 3.960 0.000 0.000 0.298 196 G HA3 0.535 4.495 3.960 0.000 0.000 0.298 196 G C -0.846 173.876 174.900 -0.297 0.000 1.134 196 G CA -0.033 44.695 45.100 -0.620 0.000 0.876 196 G HN 0.824 nan 8.290 nan 0.000 0.452 197 E N 2.689 122.725 120.200 -0.274 0.000 2.210 197 E HA 0.426 4.776 4.350 0.000 0.000 0.266 197 E C -0.905 175.625 176.600 -0.116 0.000 0.883 197 E CA -0.743 55.559 56.400 -0.163 0.000 0.761 197 E CB 1.435 31.032 29.700 -0.171 0.000 1.156 197 E HN 0.330 nan 8.360 nan 0.000 0.412 198 L N 4.224 125.401 121.223 -0.077 0.000 2.277 198 L HA 0.499 4.839 4.340 0.000 0.000 0.284 198 L C 0.393 177.205 176.870 -0.095 0.000 1.028 198 L CA -0.801 53.993 54.840 -0.077 0.000 0.835 198 L CB 1.440 43.468 42.059 -0.052 0.000 1.215 198 L HN 0.632 nan 8.230 nan 0.000 0.425 199 G N 2.296 111.026 108.800 -0.116 0.000 2.322 199 G HA2 0.566 4.526 3.960 0.000 0.000 0.309 199 G HA3 0.566 4.526 3.960 0.000 0.000 0.309 199 G C 0.037 174.805 174.900 -0.219 0.000 1.121 199 G CA -0.338 44.679 45.100 -0.138 0.000 0.886 199 G HN 0.698 nan 8.290 nan 0.000 0.447 200 A N 2.115 124.730 122.820 -0.341 0.000 2.462 200 A HA 0.643 4.963 4.320 0.000 0.000 0.243 200 A C 0.385 177.746 177.584 -0.371 0.000 1.076 200 A CA -0.092 51.578 52.037 -0.612 0.000 0.773 200 A CB -0.022 18.270 19.000 -1.181 0.000 1.010 200 A HN 1.286 nan 8.150 nan 0.000 0.493 201 I N -0.643 119.721 120.570 -0.344 0.000 3.074 201 I HA 0.640 4.810 4.170 0.000 0.000 0.310 201 I C 0.206 176.321 176.117 -0.003 0.000 1.153 201 I CA -0.871 60.362 61.300 -0.112 0.000 0.993 201 I CB 1.711 39.670 38.000 -0.069 0.000 1.237 201 I HN 0.584 nan 8.210 nan 0.000 0.443 202 S N 1.463 117.213 115.700 0.083 0.000 2.631 202 S HA -0.079 4.391 4.470 0.000 0.000 0.311 202 S C 1.001 175.684 174.600 0.138 0.000 1.254 202 S CA 0.662 58.945 58.200 0.138 0.000 1.039 202 S CB 0.107 63.358 63.200 0.084 0.000 0.753 202 S HN 0.831 nan 8.310 nan 0.000 0.494 203 E N 3.069 123.381 120.200 0.187 0.000 2.110 203 E HA -0.157 4.193 4.350 0.000 0.000 0.193 203 E C 1.346 178.003 176.600 0.095 0.000 0.988 203 E CA 1.373 57.871 56.400 0.162 0.000 0.804 203 E CB -0.078 29.713 29.700 0.151 0.000 0.745 203 E HN 0.803 nan 8.360 nan 0.000 0.458 204 E N 0.721 120.967 120.200 0.076 0.000 2.416 204 E HA 0.071 4.421 4.350 0.000 0.000 0.189 204 E C -0.368 176.258 176.600 0.043 0.000 1.091 204 E CA -0.205 56.226 56.400 0.053 0.000 0.889 204 E CB 0.457 30.183 29.700 0.044 0.000 1.015 204 E HN -0.038 nan 8.360 nan 0.000 0.479 205 S N 0.752 116.478 115.700 0.044 0.000 2.565 205 S HA 0.545 5.015 4.470 0.000 0.000 0.290 205 S C -0.105 174.508 174.600 0.022 0.000 1.150 205 S CA -0.835 57.383 58.200 0.029 0.000 1.058 205 S CB 1.721 64.935 63.200 0.023 0.000 1.032 205 S HN 0.265 nan 8.310 nan 0.000 0.510 206 A N 3.308 126.138 122.820 0.016 0.000 2.322 206 A HA 0.607 4.927 4.320 0.000 0.000 0.269 206 A C -2.590 174.997 177.584 0.004 0.000 1.094 206 A CA -1.594 50.451 52.037 0.013 0.000 0.807 206 A CB -0.561 18.448 19.000 0.014 0.000 1.047 206 A HN 0.502 nan 8.150 nan 0.000 0.487 207 P HA 0.065 nan 4.420 nan 0.000 0.262 207 P C -0.887 176.408 177.300 -0.009 0.000 1.182 207 P CA 0.548 63.644 63.100 -0.007 0.000 0.761 207 P CB 0.308 32.008 31.700 -0.000 0.000 0.795 208 Q N 4.951 124.740 119.800 -0.018 0.000 2.462 208 Q HA 0.301 4.641 4.340 0.000 0.000 0.247 208 Q C -2.256 173.731 176.000 -0.023 0.000 1.044 208 Q CA -1.899 53.894 55.803 -0.018 0.000 0.803 208 Q CB 1.469 30.196 28.738 -0.018 0.000 1.190 208 Q HN 0.387 nan 8.270 nan 0.000 0.507 209 P HA 0.049 nan 4.420 nan 0.000 0.281 209 P C -0.225 177.059 177.300 -0.027 0.000 1.249 209 P CA -0.201 62.888 63.100 -0.018 0.000 0.810 209 P CB 1.302 32.998 31.700 -0.006 0.000 1.008 210 S N 1.669 117.350 115.700 -0.031 0.000 2.645 210 S HA 0.217 4.687 4.470 0.000 0.000 0.266 210 S C 0.384 174.956 174.600 -0.045 0.000 1.258 210 S CA -0.750 57.424 58.200 -0.044 0.000 0.990 210 S CB 0.075 63.247 63.200 -0.048 0.000 0.967 210 S HN 0.406 nan 8.310 nan 0.000 0.556 211 L N 2.426 123.610 121.223 -0.065 0.000 2.404 211 L HA 0.438 4.778 4.340 0.000 0.000 0.277 211 L C -0.754 176.023 176.870 -0.154 0.000 1.184 211 L CA 0.385 55.180 54.840 -0.075 0.000 1.013 211 L CB -0.976 41.042 42.059 -0.067 0.000 1.318 211 L HN 0.695 nan 8.230 nan 0.000 0.435 212 S N 3.610 119.247 115.700 -0.104 0.000 2.672 212 S HA 0.918 5.388 4.470 0.000 0.000 0.291 212 S C -0.389 174.184 174.600 -0.046 0.000 1.145 212 S CA -0.369 57.758 58.200 -0.121 0.000 1.013 212 S CB 1.631 64.808 63.200 -0.038 0.000 1.017 212 S HN 0.800 nan 8.310 nan 0.000 0.487 213 A N 2.670 125.479 122.820 -0.018 0.000 2.479 213 A HA 0.904 5.224 4.320 0.000 0.000 0.296 213 A C -0.719 176.898 177.584 0.055 0.000 1.121 213 A CA -0.920 51.160 52.037 0.071 0.000 0.743 213 A CB 1.510 20.619 19.000 0.182 0.000 1.323 213 A HN 0.729 nan 8.150 nan 0.000 0.415 214 R N 0.735 121.239 120.500 0.006 0.000 2.476 214 R HA 0.609 4.949 4.340 0.000 0.000 0.305 214 R C -1.518 174.719 176.300 -0.104 0.000 0.965 214 R CA -0.078 55.984 56.100 -0.064 0.000 0.867 214 R CB 1.517 31.756 30.300 -0.101 0.000 1.176 214 R HN 0.655 nan 8.270 nan 0.000 0.447 215 S N 5.909 121.525 115.700 -0.141 0.000 2.552 215 S HA 0.393 4.863 4.470 0.000 0.000 0.314 215 S C -2.560 171.875 174.600 -0.273 0.000 1.099 215 S CA -1.302 56.793 58.200 -0.174 0.000 1.070 215 S CB 2.025 65.141 63.200 -0.140 0.000 0.998 215 S HN 0.537 nan 8.310 nan 0.000 0.474 216 P HA 0.169 nan 4.420 nan 0.000 0.256 216 P C 0.915 178.070 177.300 -0.241 0.000 1.689 216 P CA -0.287 62.622 63.100 -0.318 0.000 1.124 216 P CB 0.429 31.977 31.700 -0.253 0.000 1.766 217 V N 1.969 121.692 119.914 -0.318 0.000 2.370 217 V HA -0.260 3.860 4.120 0.000 0.000 0.252 217 V C 1.736 177.755 176.094 -0.124 0.000 1.068 217 V CA 2.063 64.225 62.300 -0.230 0.000 1.061 217 V CB -1.074 30.538 31.823 -0.352 0.000 0.656 217 V HN 0.524 nan 8.190 nan 0.000 0.455 218 c N 1.256 119.786 118.600 -0.117 0.000 2.353 218 c HA 0.235 4.805 4.570 0.000 0.000 0.338 218 c C 1.088 175.185 174.090 0.010 0.000 1.343 218 c CA -1.348 54.935 56.329 -0.077 0.000 1.760 218 c CB -2.075 40.459 42.510 0.039 0.000 2.111 218 c HN 0.601 nan 8.230 nan 0.000 0.576 219 K N 1.303 121.701 120.400 -0.003 0.000 2.527 219 K HA -0.003 4.317 4.320 0.000 0.000 0.278 219 K C 0.383 177.014 176.600 0.052 0.000 0.981 219 K CA 0.316 56.606 56.287 0.004 0.000 1.009 219 K CB 0.099 32.590 32.500 -0.014 0.000 0.895 219 K HN 0.200 nan 8.250 nan 0.000 0.493 220 N N 1.246 119.953 118.700 0.011 0.000 2.753 220 N HA -0.185 4.555 4.740 0.000 0.000 0.252 220 N C -0.339 175.173 175.510 0.002 0.000 1.071 220 N CA 0.928 53.966 53.050 -0.019 0.000 0.690 220 N CB -1.362 37.087 38.487 -0.062 0.000 0.906 220 N HN 0.707 nan 8.380 nan 0.000 0.552 221 S N 0.005 115.676 115.700 -0.047 0.000 2.378 221 S HA -0.278 4.192 4.470 0.000 0.000 0.229 221 S C 2.151 176.684 174.600 -0.111 0.000 1.052 221 S CA 1.823 59.909 58.200 -0.189 0.000 1.084 221 S CB -0.701 62.236 63.200 -0.438 0.000 0.950 221 S HN 0.852 nan 8.310 nan 0.000 0.440 222 A N 1.791 124.552 122.820 -0.099 0.000 1.971 222 A HA -0.286 4.034 4.320 0.000 0.000 0.222 222 A C 2.085 179.640 177.584 -0.049 0.000 1.182 222 A CA 2.145 54.150 52.037 -0.053 0.000 0.649 222 A CB -0.803 18.177 19.000 -0.032 0.000 0.818 222 A HN 0.491 nan 8.150 nan 0.000 0.458 223 R N -1.712 118.690 120.500 -0.164 0.000 2.159 223 R HA -0.185 4.155 4.340 0.000 0.000 0.237 223 R C 0.828 176.908 176.300 -0.367 0.000 1.131 223 R CA 1.842 57.754 56.100 -0.313 0.000 0.982 223 R CB -0.268 29.604 30.300 -0.713 0.000 0.868 223 R HN 0.688 nan 8.270 nan 0.000 0.453 224 Y N -0.420 119.835 120.300 -0.075 0.000 2.493 224 Y HA 0.111 4.661 4.550 0.000 0.000 0.275 224 Y C 2.083 178.046 175.900 0.105 0.000 1.183 224 Y CA 0.229 58.272 58.100 -0.096 0.000 1.258 224 Y CB 0.437 38.745 38.460 -0.253 0.000 1.108 224 Y HN 0.128 nan 8.280 nan 0.000 0.521 225 S N -0.890 114.914 115.700 0.174 0.000 2.419 225 S HA -0.077 4.393 4.470 0.000 0.000 0.233 225 S C 1.060 175.749 174.600 0.149 0.000 1.016 225 S CA 1.036 59.330 58.200 0.156 0.000 0.974 225 S CB -0.614 62.641 63.200 0.092 0.000 0.786 225 S HN 0.416 nan 8.310 nan 0.000 0.492 226 T N -1.379 113.271 114.554 0.161 0.000 2.841 226 T HA 0.544 4.894 4.350 0.000 0.000 0.296 226 T C 0.211 175.010 174.700 0.165 0.000 1.166 226 T CA -0.162 62.007 62.100 0.115 0.000 1.007 226 T CB 1.382 70.267 68.868 0.030 0.000 1.253 226 T HN 0.204 nan 8.240 nan 0.000 0.511 227 S N -0.357 115.369 115.700 0.044 0.000 2.803 227 S HA 0.133 4.603 4.470 0.000 0.000 0.228 227 S C 1.425 175.959 174.600 -0.109 0.000 0.953 227 S CA -0.171 57.993 58.200 -0.060 0.000 0.983 227 S CB -0.495 62.625 63.200 -0.133 0.000 0.784 227 S HN 0.801 nan 8.310 nan 0.000 0.498 228 K N 1.088 121.414 120.400 -0.123 0.000 2.032 228 K HA -0.085 4.235 4.320 0.000 0.000 0.209 228 K C 0.384 176.760 176.600 -0.373 0.000 1.048 228 K CA 1.510 57.595 56.287 -0.336 0.000 0.927 228 K CB -0.225 31.919 32.500 -0.593 0.000 0.712 228 K HN 0.505 nan 8.250 nan 0.000 0.441 229 F N 0.143 120.110 119.950 0.027 0.000 2.692 229 F HA 0.102 4.629 4.527 0.000 0.000 0.303 229 F C 1.855 177.654 175.800 -0.001 0.000 1.114 229 F CA -0.484 57.538 58.000 0.036 0.000 1.361 229 F CB -0.387 38.652 39.000 0.064 0.000 1.063 229 F HN 0.106 nan 8.300 nan 0.000 0.550 230 C N 0.107 119.362 119.300 -0.075 0.000 2.413 230 C HA -0.223 4.237 4.460 0.000 0.000 0.276 230 C C 2.934 177.873 174.990 -0.084 0.000 1.236 230 C CA 1.519 60.360 59.018 -0.295 0.000 1.735 230 C CB -0.628 26.847 27.740 -0.441 0.000 2.031 230 C HN 0.506 nan 8.230 nan 0.000 0.474 231 E N 0.669 120.842 120.200 -0.044 0.000 2.038 231 E HA -0.167 4.183 4.350 0.000 0.000 0.195 231 E C 2.020 178.642 176.600 0.037 0.000 1.000 231 E CA 1.819 58.213 56.400 -0.009 0.000 0.803 231 E CB -0.257 29.435 29.700 -0.013 0.000 0.750 231 E HN 0.384 nan 8.360 nan 0.000 0.448 232 V N 1.044 121.007 119.914 0.082 0.000 2.295 232 V HA -0.230 3.890 4.120 0.000 0.000 0.246 232 V C 1.661 177.818 176.094 0.105 0.000 1.049 232 V CA 2.180 64.543 62.300 0.104 0.000 1.024 232 V CB -0.645 31.279 31.823 0.169 0.000 0.648 232 V HN 0.247 nan 8.190 nan 0.000 0.447 233 D N 0.217 120.708 120.400 0.152 0.000 2.351 233 D HA 0.065 4.705 4.640 0.000 0.000 0.216 233 D C 1.678 178.064 176.300 0.143 0.000 0.968 233 D CA 1.296 55.400 54.000 0.173 0.000 0.899 233 D CB -0.264 40.739 40.800 0.338 0.000 0.907 233 D HN 0.575 nan 8.370 nan 0.000 0.514 234 G N -0.705 108.153 108.800 0.097 0.000 2.137 234 G HA2 -0.293 3.667 3.960 0.000 0.000 0.237 234 G HA3 -0.293 3.667 3.960 0.000 0.000 0.237 234 G C 0.204 175.149 174.900 0.075 0.000 1.002 234 G CA 0.061 45.204 45.100 0.072 0.000 0.702 234 G HN 0.384 nan 8.290 nan 0.000 0.515 235 c N 2.425 121.064 118.600 0.065 0.000 2.170 235 c HA 0.761 5.331 4.570 0.000 0.000 0.339 235 c C 0.869 174.942 174.090 -0.029 0.000 1.056 235 c CA 0.092 56.451 56.329 0.050 0.000 1.535 235 c CB -1.108 41.448 42.510 0.078 0.000 1.785 235 c HN 0.842 nan 8.230 nan 0.000 0.440 236 T N -1.448 113.107 114.554 0.002 0.000 2.865 236 T HA 0.655 5.005 4.350 0.000 0.000 0.294 236 T C 0.948 175.652 174.700 0.006 0.000 1.119 236 T CA 0.050 62.141 62.100 -0.015 0.000 1.007 236 T CB 1.496 70.352 68.868 -0.020 0.000 1.225 236 T HN 0.326 nan 8.240 nan 0.000 0.515 237 A N 0.419 123.238 122.820 -0.001 0.000 1.940 237 A HA -0.068 4.252 4.320 0.000 0.000 0.219 237 A C 2.012 179.596 177.584 -0.001 0.000 1.176 237 A CA 2.089 54.128 52.037 0.003 0.000 0.631 237 A CB -1.184 17.814 19.000 -0.003 0.000 0.814 237 A HN 0.924 nan 8.150 nan 0.000 0.446 238 E N -0.334 119.865 120.200 -0.002 0.000 2.038 238 E HA -0.155 4.195 4.350 0.000 0.000 0.195 238 E C 2.206 178.808 176.600 0.003 0.000 1.000 238 E CA 2.084 58.483 56.400 -0.001 0.000 0.803 238 E CB -0.605 29.094 29.700 -0.002 0.000 0.750 238 E HN 0.800 nan 8.360 nan 0.000 0.448 239 T N -3.180 111.379 114.554 0.009 0.000 3.148 239 T HA 0.224 4.574 4.350 0.000 0.000 0.253 239 T C 1.438 176.146 174.700 0.014 0.000 1.134 239 T CA 0.399 62.508 62.100 0.015 0.000 1.051 239 T CB 0.066 68.950 68.868 0.025 0.000 0.959 239 T HN 0.318 nan 8.240 nan 0.000 0.525 240 G N 1.921 110.726 108.800 0.008 0.000 2.160 240 G HA2 -0.239 3.721 3.960 0.000 0.000 0.244 240 G HA3 -0.239 3.721 3.960 0.000 0.000 0.244 240 G C 0.468 175.372 174.900 0.007 0.000 1.022 240 G CA -0.080 45.017 45.100 -0.005 0.000 0.741 240 G HN 0.540 nan 8.290 nan 0.000 0.508 241 M N -1.386 118.241 119.600 0.045 0.000 2.360 241 M HA -0.149 4.331 4.480 0.000 0.000 0.202 241 M C 0.086 176.436 176.300 0.083 0.000 0.390 241 M CA 1.288 56.647 55.300 0.097 0.000 0.470 241 M CB -2.251 30.428 32.600 0.132 0.000 1.637 241 M HN 0.742 nan 8.290 nan 0.000 0.885 242 E N -0.058 120.182 120.200 0.066 0.000 2.255 242 E HA 0.504 4.854 4.350 0.000 0.000 0.256 242 E C -0.014 176.625 176.600 0.065 0.000 0.887 242 E CA -0.764 55.672 56.400 0.059 0.000 0.782 242 E CB 1.750 31.470 29.700 0.034 0.000 1.214 242 E HN 0.072 nan 8.360 nan 0.000 0.417 243 K N 4.427 124.876 120.400 0.082 0.000 2.592 243 K HA 0.262 4.582 4.320 0.000 0.000 0.212 243 K C -1.001 175.633 176.600 0.056 0.000 1.013 243 K CA -0.464 55.870 56.287 0.077 0.000 1.034 243 K CB 0.338 32.908 32.500 0.116 0.000 1.292 243 K HN 0.363 nan 8.250 nan 0.000 0.521 244 M N 1.839 121.459 119.600 0.033 0.000 2.235 244 M HA 0.338 4.818 4.480 0.000 0.000 0.351 244 M C -0.028 176.273 176.300 0.001 0.000 1.178 244 M CA -0.262 55.046 55.300 0.013 0.000 1.143 244 M CB 0.843 33.444 32.600 0.002 0.000 1.530 244 M HN 0.660 nan 8.290 nan 0.000 0.461 245 S N 2.251 117.940 115.700 -0.018 0.000 2.548 245 S HA 0.672 5.142 4.470 0.000 0.000 0.276 245 S C -0.849 173.711 174.600 -0.067 0.000 1.129 245 S CA -1.002 57.179 58.200 -0.032 0.000 0.931 245 S CB 1.546 64.730 63.200 -0.027 0.000 1.068 245 S HN 0.449 nan 8.310 nan 0.000 0.480 246 L N 2.642 123.825 121.223 -0.067 0.000 2.490 246 L HA 0.275 4.615 4.340 0.000 0.000 0.274 246 L C 0.944 177.709 176.870 -0.175 0.000 1.201 246 L CA 0.371 55.151 54.840 -0.100 0.000 0.869 246 L CB -0.070 41.956 42.059 -0.055 0.000 1.123 246 L HN 0.917 nan 8.230 nan 0.000 0.484 247 L N 0.804 121.841 121.223 -0.309 0.000 2.445 247 L HA 0.131 4.471 4.340 0.000 0.000 0.207 247 L C 0.673 177.211 176.870 -0.553 0.000 1.053 247 L CA 0.153 54.630 54.840 -0.605 0.000 0.841 247 L CB -0.016 41.383 42.059 -1.101 0.000 1.074 247 L HN 0.581 nan 8.230 nan 0.000 0.479 248 T N 3.561 117.912 114.554 -0.338 0.000 2.817 248 T HA 0.138 4.488 4.350 0.000 0.000 0.295 248 T C -2.115 172.596 174.700 0.019 0.000 0.958 248 T CA -0.832 61.258 62.100 -0.017 0.000 1.157 248 T CB 0.477 69.363 68.868 0.031 0.000 0.898 248 T HN 0.071 nan 8.240 nan 0.000 0.536 249 P HA 0.073 nan 4.420 nan 0.000 0.272 249 P C 0.905 178.264 177.300 0.099 0.000 1.240 249 P CA -0.636 62.518 63.100 0.090 0.000 0.791 249 P CB 0.670 32.428 31.700 0.097 0.000 0.978 250 F N 2.209 122.161 119.950 0.004 0.000 2.063 250 F HA -0.138 4.389 4.527 0.000 0.000 0.298 250 F C 2.111 177.913 175.800 0.003 0.000 1.109 250 F CA 2.661 60.661 58.000 0.001 0.000 1.212 250 F CB -1.195 37.804 39.000 -0.002 0.000 0.973 250 F HN 0.413 nan 8.300 nan 0.000 0.480 251 G N -0.201 108.403 108.800 -0.327 0.000 3.124 251 G HA2 0.264 4.224 3.960 0.000 0.000 0.212 251 G HA3 0.264 4.224 3.960 0.000 0.000 0.212 251 G C 0.927 175.682 174.900 -0.242 0.000 1.181 251 G CA 0.216 45.049 45.100 -0.445 0.000 0.803 251 G HN 0.730 nan 8.290 nan 0.000 0.529 252 G N 0.543 109.251 108.800 -0.154 0.000 2.712 252 G HA2 0.392 4.352 3.960 0.000 0.000 0.258 252 G HA3 0.392 4.352 3.960 0.000 0.000 0.258 252 G C -1.964 172.883 174.900 -0.088 0.000 1.241 252 G CA -0.737 44.319 45.100 -0.074 0.000 0.923 252 G HN 0.134 nan 8.290 nan 0.000 0.548 253 P HA 0.076 nan 4.420 nan 0.000 0.270 253 P C -1.568 175.705 177.300 -0.045 0.000 1.221 253 P CA -0.716 62.358 63.100 -0.043 0.000 0.788 253 P CB 0.314 32.003 31.700 -0.018 0.000 0.904 254 P HA -0.082 nan 4.420 nan 0.000 0.234 254 P C -0.200 177.082 177.300 -0.030 0.000 1.167 254 P CA 1.056 64.133 63.100 -0.039 0.000 0.763 254 P CB 0.288 31.971 31.700 -0.028 0.000 0.835 255 Q N 0.746 120.532 119.800 -0.024 0.000 2.337 255 Q HA 0.244 4.584 4.340 0.000 0.000 0.255 255 Q C 0.056 176.046 176.000 -0.016 0.000 0.997 255 Q CA 0.144 55.927 55.803 -0.033 0.000 0.925 255 Q CB 0.545 29.258 28.738 -0.040 0.000 1.212 255 Q HN 0.215 nan 8.270 nan 0.000 0.436 256 Q N 1.338 121.120 119.800 -0.030 0.000 2.286 256 Q HA 0.606 4.946 4.340 0.000 0.000 0.257 256 Q C -1.107 174.870 176.000 -0.039 0.000 0.941 256 Q CA -0.408 55.379 55.803 -0.027 0.000 0.912 256 Q CB 0.771 29.491 28.738 -0.030 0.000 1.192 256 Q HN 0.719 nan 8.270 nan 0.000 0.410 257 A N 4.454 127.243 122.820 -0.052 0.000 2.331 257 A HA 0.618 4.938 4.320 0.000 0.000 0.320 257 A C -1.149 176.345 177.584 -0.151 0.000 1.138 257 A CA -0.676 51.311 52.037 -0.083 0.000 0.790 257 A CB 1.134 20.110 19.000 -0.040 0.000 1.206 257 A HN 0.754 nan 8.150 nan 0.000 0.470 258 K N 1.409 121.743 120.400 -0.110 0.000 2.385 258 K HA 0.681 5.001 4.320 0.000 0.000 0.248 258 K C -0.665 175.886 176.600 -0.082 0.000 0.955 258 K CA -0.517 55.708 56.287 -0.103 0.000 0.816 258 K CB 2.404 34.868 32.500 -0.061 0.000 1.250 258 K HN 0.900 nan 8.250 nan 0.000 0.434 259 M N 0.056 119.610 119.600 -0.076 0.000 2.664 259 M HA 0.522 5.002 4.480 0.000 0.000 0.314 259 M C -0.926 175.375 176.300 0.001 0.000 1.200 259 M CA -0.717 54.561 55.300 -0.038 0.000 0.916 259 M CB 1.811 34.370 32.600 -0.067 0.000 1.717 259 M HN 0.242 nan 8.290 nan 0.000 0.470 260 N N 0.616 119.342 118.700 0.044 0.000 2.417 260 N HA 0.388 5.128 4.740 0.000 0.000 0.274 260 N C -0.329 175.246 175.510 0.108 0.000 0.987 260 N CA -0.266 52.827 53.050 0.071 0.000 0.912 260 N CB 1.923 40.453 38.487 0.071 0.000 1.177 260 N HN 0.824 nan 8.380 nan 0.000 0.490 261 T N 1.421 116.041 114.554 0.110 0.000 3.014 261 T HA -0.024 4.326 4.350 0.000 0.000 0.263 261 T C 1.776 176.574 174.700 0.163 0.000 1.078 261 T CA 0.544 62.717 62.100 0.122 0.000 1.135 261 T CB -0.114 68.835 68.868 0.134 0.000 0.895 261 T HN 0.686 nan 8.240 nan 0.000 0.480 262 c N 1.824 120.568 118.600 0.240 0.000 2.398 262 c HA -0.068 4.502 4.570 0.000 0.000 0.279 262 c C -0.104 174.198 174.090 0.353 0.000 1.250 262 c CA 0.475 57.032 56.329 0.379 0.000 1.786 262 c CB -1.690 41.018 42.510 0.330 0.000 2.018 262 c HN 0.445 nan 8.230 nan 0.000 0.494 263 P HA -0.106 nan 4.420 nan 0.000 0.218 263 P C 1.397 178.733 177.300 0.060 0.000 1.146 263 P CA 1.440 64.607 63.100 0.112 0.000 0.820 263 P CB -0.377 31.279 31.700 -0.073 0.000 0.778 264 c N -2.940 115.623 118.600 -0.062 0.000 2.413 264 c HA -0.167 4.403 4.570 0.000 0.000 0.277 264 c C 2.401 176.377 174.090 -0.190 0.000 1.265 264 c CA 0.671 56.799 56.329 -0.334 0.000 1.752 264 c CB -2.022 39.749 42.510 -1.231 0.000 1.998 264 c HN 0.228 nan 8.230 nan 0.000 0.489 265 Y N -0.707 119.648 120.300 0.092 0.000 2.145 265 Y HA -0.173 4.377 4.550 0.000 0.000 0.286 265 Y C 2.307 178.197 175.900 -0.017 0.000 1.145 265 Y CA 1.852 60.044 58.100 0.154 0.000 1.148 265 Y CB -0.906 37.600 38.460 0.077 0.000 0.981 265 Y HN 0.364 nan 8.280 nan 0.000 0.507 266 Y N -0.087 120.314 120.300 0.168 0.000 2.574 266 Y HA -0.151 4.399 4.550 0.000 0.000 0.294 266 Y C 2.300 178.179 175.900 -0.036 0.000 1.142 266 Y CA 1.293 59.425 58.100 0.054 0.000 1.314 266 Y CB -0.143 38.317 38.460 0.001 0.000 0.991 266 Y HN 0.084 nan 8.280 nan 0.000 0.555 267 K N -1.430 118.975 120.400 0.009 0.000 2.276 267 K HA -0.028 4.293 4.320 0.000 0.000 0.198 267 K C 0.554 176.973 176.600 -0.303 0.000 1.052 267 K CA 0.844 56.993 56.287 -0.230 0.000 0.984 267 K CB 0.084 32.316 32.500 -0.446 0.000 0.836 267 K HN 0.228 nan 8.250 nan 0.000 0.490 268 Y N -0.070 120.266 120.300 0.060 0.000 2.430 268 Y HA 0.295 4.845 4.550 0.000 0.000 0.254 268 Y C 0.698 176.661 175.900 0.106 0.000 1.088 268 Y CA -0.377 57.775 58.100 0.087 0.000 1.267 268 Y CB 0.866 39.388 38.460 0.105 0.000 1.204 268 Y HN -0.114 nan 8.280 nan 0.000 0.515 269 S N 0.848 116.698 115.700 0.251 0.000 2.565 269 S HA 0.289 4.759 4.470 0.000 0.000 0.276 269 S C 0.680 175.345 174.600 0.108 0.000 1.326 269 S CA -0.316 58.002 58.200 0.197 0.000 1.045 269 S CB 0.836 64.163 63.200 0.213 0.000 0.918 269 S HN 0.195 nan 8.310 nan 0.000 0.505 270 V N 1.975 121.944 119.914 0.090 0.000 2.982 270 V HA 0.508 4.628 4.120 0.000 0.000 0.368 270 V C 0.118 176.230 176.094 0.030 0.000 1.350 270 V CA -0.425 61.907 62.300 0.055 0.000 1.251 270 V CB -0.270 31.586 31.823 0.054 0.000 1.284 270 V HN 0.514 nan 8.190 nan 0.000 0.533 271 S N 1.514 117.227 115.700 0.021 0.000 2.568 271 S HA 0.730 5.200 4.470 0.000 0.000 0.302 271 S C -2.686 171.892 174.600 -0.037 0.000 1.082 271 S CA -0.958 57.237 58.200 -0.008 0.000 1.009 271 S CB 1.781 64.974 63.200 -0.012 0.000 1.069 271 S HN 0.339 nan 8.310 nan 0.000 0.500 272 P HA 0.300 nan 4.420 nan 0.000 0.267 272 P C -1.193 176.057 177.300 -0.082 0.000 1.205 272 P CA 0.056 63.130 63.100 -0.044 0.000 0.765 272 P CB 0.302 31.983 31.700 -0.031 0.000 0.828 273 L N 4.838 126.004 121.223 -0.095 0.000 2.323 273 L HA 0.520 4.860 4.340 0.000 0.000 0.265 273 L C -2.093 174.781 176.870 0.005 0.000 1.012 273 L CA -2.507 52.240 54.840 -0.155 0.000 0.820 273 L CB 1.366 43.115 42.059 -0.517 0.000 1.334 273 L HN 0.188 nan 8.230 nan 0.000 0.427 274 P HA 0.035 nan 4.420 nan 0.000 0.262 274 P C -0.765 176.623 177.300 0.146 0.000 1.182 274 P CA -0.055 63.100 63.100 0.092 0.000 0.761 274 P CB 0.501 32.256 31.700 0.091 0.000 0.795 275 A N 4.755 127.618 122.820 0.072 0.000 2.404 275 A HA 0.516 4.836 4.320 0.000 0.000 0.273 275 A C 0.025 177.611 177.584 0.003 0.000 1.144 275 A CA 0.080 52.148 52.037 0.051 0.000 0.806 275 A CB -0.422 18.593 19.000 0.025 0.000 1.080 275 A HN 0.517 nan 8.150 nan 0.000 0.509 276 M N 1.613 121.189 119.600 -0.040 0.000 2.531 276 M HA 0.237 4.717 4.480 0.000 0.000 0.286 276 M C 0.370 176.585 176.300 -0.143 0.000 1.232 276 M CA -0.570 54.654 55.300 -0.127 0.000 0.877 276 M CB 2.190 34.662 32.600 -0.214 0.000 1.726 276 M HN 0.786 nan 8.290 nan 0.000 0.463 277 D N 0.383 120.690 120.400 -0.155 0.000 2.123 277 D HA -0.073 4.567 4.640 0.000 0.000 0.200 277 D C 0.060 176.339 176.300 -0.035 0.000 0.976 277 D CA 1.585 55.550 54.000 -0.058 0.000 0.831 277 D CB 0.473 41.307 40.800 0.056 0.000 0.974 277 D HN 0.615 nan 8.370 nan 0.000 0.469 278 H N -1.935 117.067 119.070 -0.113 0.000 2.980 278 H HA 0.463 5.019 4.556 0.000 0.000 0.367 278 H C -1.121 174.105 175.328 -0.171 0.000 1.206 278 H CA -1.102 54.863 56.048 -0.138 0.000 1.126 278 H CB 0.471 30.172 29.762 -0.102 0.000 1.838 278 H HN -0.023 nan 8.280 nan 0.000 0.552 279 L N 1.588 122.744 121.223 -0.112 0.000 2.322 279 L HA 0.476 4.816 4.340 0.000 0.000 0.269 279 L C 0.013 176.882 176.870 -0.002 0.000 1.012 279 L CA -1.129 53.614 54.840 -0.161 0.000 0.815 279 L CB 1.946 43.847 42.059 -0.263 0.000 1.295 279 L HN 0.477 nan 8.230 nan 0.000 0.438 280 I N 2.339 122.913 120.570 0.008 0.000 2.330 280 I HA 0.136 4.306 4.170 0.000 0.000 0.286 280 I C 0.892 177.017 176.117 0.013 0.000 1.025 280 I CA -0.211 61.110 61.300 0.034 0.000 1.197 280 I CB 1.370 39.398 38.000 0.047 0.000 1.358 280 I HN 0.601 nan 8.210 nan 0.000 0.467 281 L N 5.865 127.092 121.223 0.006 0.000 2.109 281 L HA 0.147 4.487 4.340 0.000 0.000 0.207 281 L C 0.952 177.856 176.870 0.056 0.000 1.086 281 L CA 0.645 55.510 54.840 0.041 0.000 0.760 281 L CB -0.195 41.890 42.059 0.044 0.000 0.910 281 L HN 0.749 nan 8.230 nan 0.000 0.437 282 A N -0.454 122.381 122.820 0.024 0.000 2.597 282 A HA 0.522 4.842 4.320 0.000 0.000 0.292 282 A C -1.931 175.645 177.584 -0.014 0.000 1.057 282 A CA -0.678 51.362 52.037 0.006 0.000 0.674 282 A CB 1.233 20.239 19.000 0.010 0.000 1.278 282 A HN 0.152 nan 8.150 nan 0.000 0.416 283 D N -0.921 119.461 120.400 -0.029 0.000 2.559 283 D HA 0.746 5.386 4.640 0.000 0.000 0.250 283 D C -1.135 175.128 176.300 -0.060 0.000 1.135 283 D CA -0.549 53.424 54.000 -0.045 0.000 0.955 283 D CB 1.523 42.299 40.800 -0.040 0.000 1.442 283 D HN 1.012 nan 8.370 nan 0.000 0.471 284 L N 0.148 121.319 121.223 -0.087 0.000 2.516 284 L HA 0.792 5.132 4.340 0.000 0.000 0.267 284 L C -1.377 175.410 176.870 -0.138 0.000 0.957 284 L CA -0.367 54.410 54.840 -0.104 0.000 0.860 284 L CB 1.365 43.353 42.059 -0.119 0.000 1.265 284 L HN 0.864 nan 8.230 nan 0.000 0.403 285 A N 2.841 125.597 122.820 -0.107 0.000 2.261 285 A HA 0.822 5.142 4.320 0.000 0.000 0.323 285 A C 1.025 178.542 177.584 -0.112 0.000 1.107 285 A CA 0.094 52.067 52.037 -0.107 0.000 0.883 285 A CB 0.857 19.818 19.000 -0.065 0.000 1.251 285 A HN 2.071 nan 8.150 nan 0.000 0.502 286 G N -1.379 107.365 108.800 -0.094 0.000 2.157 286 G HA2 -0.194 3.766 3.960 0.000 0.000 0.239 286 G HA3 -0.194 3.766 3.960 0.000 0.000 0.239 286 G C 0.679 175.528 174.900 -0.084 0.000 0.982 286 G CA 0.379 45.438 45.100 -0.068 0.000 0.650 286 G HN 0.718 nan 8.290 nan 0.000 0.527 287 L N 0.201 121.311 121.223 -0.189 0.000 2.265 287 L HA -0.034 4.306 4.340 0.000 0.000 0.215 287 L C 2.412 179.388 176.870 0.176 0.000 1.117 287 L CA 1.442 56.115 54.840 -0.278 0.000 0.782 287 L CB -0.354 41.172 42.059 -0.889 0.000 0.914 287 L HN 0.122 nan 8.230 nan 0.000 0.441 288 D N -0.071 120.400 120.400 0.118 0.000 2.182 288 D HA -0.138 4.502 4.640 0.000 0.000 0.201 288 D C 1.979 178.365 176.300 0.144 0.000 0.986 288 D CA 1.750 55.844 54.000 0.157 0.000 0.847 288 D CB 0.058 40.906 40.800 0.081 0.000 0.942 288 D HN 0.392 nan 8.370 nan 0.000 0.467 289 S N -0.642 115.122 115.700 0.108 0.000 2.602 289 S HA 0.212 4.682 4.470 0.000 0.000 0.240 289 S C 0.236 174.901 174.600 0.108 0.000 0.992 289 S CA -0.658 57.594 58.200 0.087 0.000 0.971 289 S CB 0.172 63.398 63.200 0.045 0.000 0.855 289 S HN 0.003 nan 8.310 nan 0.000 0.481 290 L N 3.286 124.624 121.223 0.192 0.000 2.275 290 L HA 0.507 4.847 4.340 0.000 0.000 0.288 290 L C 1.277 178.313 176.870 0.277 0.000 1.046 290 L CA 0.337 55.310 54.840 0.222 0.000 0.805 290 L CB 1.418 43.598 42.059 0.201 0.000 1.193 290 L HN 0.385 nan 8.230 nan 0.000 0.426 291 T N -0.540 114.107 114.554 0.154 0.000 2.953 291 T HA 0.121 4.471 4.350 0.000 0.000 0.247 291 T C 0.821 175.560 174.700 0.064 0.000 1.029 291 T CA 0.578 62.723 62.100 0.076 0.000 1.144 291 T CB -0.296 68.593 68.868 0.036 0.000 0.870 291 T HN 0.641 nan 8.240 nan 0.000 0.446 292 S N 3.115 118.877 115.700 0.104 0.000 2.632 292 S HA 0.558 5.028 4.470 0.000 0.000 0.267 292 S C -2.451 172.252 174.600 0.173 0.000 1.276 292 S CA -1.456 56.803 58.200 0.099 0.000 0.998 292 S CB 0.766 64.024 63.200 0.096 0.000 0.953 292 S HN 0.362 nan 8.310 nan 0.000 0.547 293 P HA 0.240 nan 4.420 nan 0.000 0.274 293 P C -0.898 176.478 177.300 0.126 0.000 1.264 293 P CA -0.472 62.706 63.100 0.131 0.000 0.795 293 P CB 0.326 31.987 31.700 -0.066 0.000 1.064 294 V N 0.563 120.496 119.914 0.032 0.000 2.487 294 V HA 0.313 4.433 4.120 0.000 0.000 0.298 294 V C -0.659 175.361 176.094 -0.123 0.000 1.028 294 V CA -0.400 61.900 62.300 0.000 0.000 0.860 294 V CB 1.089 32.880 31.823 -0.053 0.000 0.991 294 V HN 0.388 nan 8.190 nan 0.000 0.427 295 Y N 2.867 123.204 120.300 0.061 0.000 2.409 295 Y HA 0.715 5.265 4.550 0.000 0.000 0.339 295 Y C -0.057 175.804 175.900 -0.066 0.000 1.033 295 Y CA -0.814 57.286 58.100 0.000 0.000 1.094 295 Y CB 2.296 40.779 38.460 0.038 0.000 1.210 295 Y HN 0.336 nan 8.280 nan 0.000 0.456 296 V N 5.094 125.028 119.914 0.033 0.000 2.447 296 V HA 0.344 4.464 4.120 0.000 0.000 0.292 296 V C -0.629 175.412 176.094 -0.089 0.000 1.021 296 V CA -0.804 61.483 62.300 -0.022 0.000 0.850 296 V CB 1.548 33.361 31.823 -0.017 0.000 1.005 296 V HN 0.799 nan 8.190 nan 0.000 0.426 297 M N 4.595 124.123 119.600 -0.120 0.000 2.268 297 M HA 0.843 5.323 4.480 0.000 0.000 0.344 297 M C -0.231 176.061 176.300 -0.013 0.000 1.106 297 M CA -0.315 54.910 55.300 -0.125 0.000 1.010 297 M CB 1.547 34.002 32.600 -0.241 0.000 1.649 297 M HN 0.724 nan 8.290 nan 0.000 0.443 298 A N 3.612 126.455 122.820 0.037 0.000 2.340 298 A HA 0.937 5.257 4.320 0.000 0.000 0.331 298 A C -1.148 176.510 177.584 0.123 0.000 1.140 298 A CA -0.676 51.403 52.037 0.070 0.000 0.801 298 A CB 1.219 20.224 19.000 0.007 0.000 1.234 298 A HN 0.940 nan 8.150 nan 0.000 0.469 299 A N 1.319 124.177 122.820 0.063 0.000 2.343 299 A HA 0.864 5.184 4.320 0.000 0.000 0.316 299 A C -0.836 176.739 177.584 -0.014 0.000 1.104 299 A CA -0.457 51.467 52.037 -0.188 0.000 0.768 299 A CB 0.559 19.384 19.000 -0.291 0.000 1.213 299 A HN 1.894 nan 8.150 nan 0.000 0.456 300 Y N -0.484 119.597 120.300 -0.364 0.000 2.750 300 Y HA 0.816 5.366 4.550 0.000 0.000 0.335 300 Y C -1.769 173.937 175.900 -0.324 0.000 1.252 300 Y CA -2.394 55.516 58.100 -0.316 0.000 1.064 300 Y CB 0.480 38.876 38.460 -0.107 0.000 1.321 300 Y HN 0.424 nan 8.280 nan 0.000 0.451 301 F N 0.670 120.702 119.950 0.138 0.000 2.507 301 F HA 0.482 5.009 4.527 0.000 0.000 0.327 301 F C -0.289 175.641 175.800 0.217 0.000 1.068 301 F CA -1.064 56.990 58.000 0.089 0.000 0.965 301 F CB 1.769 40.796 39.000 0.046 0.000 1.192 301 F HN 0.638 nan 8.300 nan 0.000 0.476 302 D N -0.256 120.405 120.400 0.436 0.000 2.517 302 D HA 0.151 4.791 4.640 0.000 0.000 0.301 302 D C 0.629 177.052 176.300 0.205 0.000 1.202 302 D CA -0.095 54.074 54.000 0.283 0.000 0.910 302 D CB 0.351 41.269 40.800 0.195 0.000 1.021 302 D HN 0.409 nan 8.370 nan 0.000 0.499 303 S N 0.622 116.417 115.700 0.159 0.000 2.571 303 S HA -0.119 4.351 4.470 0.000 0.000 0.245 303 S C 1.043 175.670 174.600 0.045 0.000 0.976 303 S CA 0.201 58.445 58.200 0.072 0.000 0.954 303 S CB -1.090 62.132 63.200 0.036 0.000 0.756 303 S HN 0.495 nan 8.310 nan 0.000 0.535 304 T N 0.004 114.581 114.554 0.038 0.000 2.916 304 T HA 0.197 4.547 4.350 0.000 0.000 0.303 304 T C 0.065 174.783 174.700 0.030 0.000 1.025 304 T CA -0.219 61.855 62.100 -0.044 0.000 1.142 304 T CB -0.104 68.697 68.868 -0.112 0.000 0.947 304 T HN 0.459 nan 8.240 nan 0.000 0.544 305 H N -0.411 118.674 119.070 0.025 0.000 2.880 305 H HA -0.129 4.427 4.556 0.000 0.000 0.304 305 H C 0.264 175.601 175.328 0.016 0.000 1.259 305 H CA 0.942 57.002 56.048 0.020 0.000 1.153 305 H CB -1.765 28.012 29.762 0.025 0.000 1.395 305 H HN 1.033 nan 8.280 nan 0.000 0.420 306 E N -0.093 120.169 120.200 0.105 0.000 2.283 306 E HA 0.463 4.813 4.350 0.000 0.000 0.271 306 E C 0.117 176.741 176.600 0.040 0.000 1.031 306 E CA -0.975 55.457 56.400 0.054 0.000 0.868 306 E CB 1.627 31.337 29.700 0.015 0.000 1.094 306 E HN 0.192 nan 8.360 nan 0.000 0.401 307 N N 2.782 121.494 118.700 0.020 0.000 2.443 307 N HA 0.218 4.958 4.740 0.000 0.000 0.269 307 N C -2.163 173.346 175.510 -0.003 0.000 0.985 307 N CA -2.364 50.693 53.050 0.012 0.000 0.921 307 N CB 1.723 40.215 38.487 0.008 0.000 1.195 307 N HN 0.258 nan 8.380 nan 0.000 0.492 308 P HA -0.120 nan 4.420 nan 0.000 0.217 308 P C 1.354 178.647 177.300 -0.012 0.000 1.148 308 P CA 0.757 63.851 63.100 -0.010 0.000 0.828 308 P CB 0.579 32.276 31.700 -0.005 0.000 0.783 309 V N -0.985 118.924 119.914 -0.008 0.000 2.548 309 V HA -0.106 4.014 4.120 0.000 0.000 0.249 309 V C 1.673 177.759 176.094 -0.013 0.000 1.055 309 V CA 1.340 63.634 62.300 -0.009 0.000 1.065 309 V CB -0.693 31.126 31.823 -0.006 0.000 0.681 309 V HN 0.065 nan 8.190 nan 0.000 0.462 310 R N 1.050 121.541 120.500 -0.014 0.000 2.738 310 R HA 0.214 4.554 4.340 0.000 0.000 0.280 310 R C -2.489 173.796 176.300 -0.025 0.000 1.456 310 R CA -1.173 54.916 56.100 -0.019 0.000 1.612 310 R CB 1.038 31.330 30.300 -0.014 0.000 1.286 310 R HN 0.248 nan 8.270 nan 0.000 0.660 311 P HA 0.068 nan 4.420 nan 0.000 0.225 311 P C -0.808 176.442 177.300 -0.083 0.000 1.768 311 P CA 0.111 63.179 63.100 -0.053 0.000 0.943 311 P CB 0.538 32.203 31.700 -0.058 0.000 1.936 312 S N 0.155 115.814 115.700 -0.067 0.000 2.498 312 S HA 0.402 4.872 4.470 0.000 0.000 0.324 312 S C -0.043 174.514 174.600 -0.072 0.000 1.071 312 S CA -0.305 57.844 58.200 -0.086 0.000 1.113 312 S CB 0.598 63.761 63.200 -0.061 0.000 0.976 312 S HN 0.230 nan 8.310 nan 0.000 0.462 313 S N 3.419 119.049 115.700 -0.118 0.000 2.713 313 S HA 0.543 5.013 4.470 0.000 0.000 0.283 313 S C -0.424 174.190 174.600 0.023 0.000 1.161 313 S CA -0.699 57.478 58.200 -0.038 0.000 0.999 313 S CB 0.806 63.974 63.200 -0.053 0.000 1.039 313 S HN 0.712 nan 8.310 nan 0.000 0.548 314 K N 1.504 121.909 120.400 0.008 0.000 2.130 314 K HA 0.442 4.762 4.320 0.000 0.000 0.268 314 K C -1.053 175.387 176.600 -0.266 0.000 0.983 314 K CA -0.705 55.472 56.287 -0.183 0.000 0.893 314 K CB 0.894 33.153 32.500 -0.402 0.000 1.066 314 K HN 0.492 nan 8.250 nan 0.000 0.450 315 L N 4.811 125.846 121.223 -0.314 0.000 2.265 315 L HA 0.301 4.641 4.340 0.000 0.000 0.288 315 L C -1.468 175.015 176.870 -0.644 0.000 1.058 315 L CA 0.077 54.606 54.840 -0.518 0.000 0.809 315 L CB 0.212 42.008 42.059 -0.439 0.000 1.179 315 L HN 0.502 nan 8.230 nan 0.000 0.429 316 Y N 3.435 123.365 120.300 -0.618 0.000 2.488 316 Y HA 0.566 5.116 4.550 0.000 0.000 0.325 316 Y C -0.377 175.182 175.900 -0.569 0.000 1.204 316 Y CA -0.327 57.431 58.100 -0.570 0.000 1.229 316 Y CB 1.359 39.290 38.460 -0.883 0.000 1.274 316 Y HN 0.571 nan 8.280 nan 0.000 0.493 317 H N -0.262 118.859 119.070 0.085 0.000 2.782 317 H HA 0.536 5.092 4.556 0.000 0.000 0.347 317 H C -1.283 174.198 175.328 0.255 0.000 1.038 317 H CA -1.115 55.049 56.048 0.193 0.000 1.255 317 H CB 1.103 30.984 29.762 0.198 0.000 1.623 317 H HN 0.809 nan 8.280 nan 0.000 0.525 318 c N 1.671 120.486 118.600 0.359 0.000 2.563 318 c HA 0.996 5.566 4.570 0.000 0.000 0.314 318 c C 0.035 174.186 174.090 0.103 0.000 1.199 318 c CA -0.928 55.539 56.329 0.230 0.000 1.564 318 c CB 0.482 43.106 42.510 0.191 0.000 2.173 318 c HN 0.948 nan 8.230 nan 0.000 0.485 319 A N 3.525 126.374 122.820 0.049 0.000 2.343 319 A HA 0.845 5.165 4.320 0.000 0.000 0.316 319 A C -0.793 176.793 177.584 0.004 0.000 1.104 319 A CA -0.548 51.421 52.037 -0.114 0.000 0.768 319 A CB 0.662 19.367 19.000 -0.490 0.000 1.213 319 A HN 0.984 nan 8.150 nan 0.000 0.456 320 L N 1.115 122.334 121.223 -0.007 0.000 2.334 320 L HA 0.657 4.997 4.340 0.000 0.000 0.270 320 L C 0.132 177.006 176.870 0.007 0.000 1.018 320 L CA -0.588 54.264 54.840 0.020 0.000 0.811 320 L CB 1.834 43.886 42.059 -0.011 0.000 1.271 320 L HN 0.844 nan 8.230 nan 0.000 0.443 321 Q N 1.953 121.722 119.800 -0.052 0.000 2.323 321 Q HA 0.552 4.892 4.340 0.000 0.000 0.271 321 Q C -1.552 174.389 176.000 -0.098 0.000 1.048 321 Q CA -0.788 54.868 55.803 -0.245 0.000 0.792 321 Q CB 2.603 31.133 28.738 -0.347 0.000 1.280 321 Q HN 0.557 nan 8.270 nan 0.000 0.441 322 M N 2.085 121.649 119.600 -0.061 0.000 2.294 322 M HA 0.523 5.003 4.480 0.000 0.000 0.335 322 M C -1.471 174.988 176.300 0.265 0.000 1.079 322 M CA 0.199 55.584 55.300 0.142 0.000 0.982 322 M CB 2.251 34.947 32.600 0.159 0.000 1.651 322 M HN 0.574 nan 8.290 nan 0.000 0.437 323 T N 1.777 116.445 114.554 0.190 0.000 2.909 323 T HA 0.451 4.801 4.350 0.000 0.000 0.299 323 T C -1.156 173.085 174.700 -0.766 0.000 1.073 323 T CA -0.792 61.173 62.100 -0.224 0.000 0.999 323 T CB 1.732 70.472 68.868 -0.214 0.000 1.098 323 T HN 0.592 nan 8.240 nan 0.000 0.477 324 S N 2.080 116.885 115.700 -1.492 0.000 2.489 324 S HA 0.340 4.810 4.470 0.000 0.000 0.277 324 S C -0.936 173.015 174.600 -1.083 0.000 1.230 324 S CA -0.530 56.747 58.200 -1.538 0.000 1.053 324 S CB -0.089 62.131 63.200 -1.632 0.000 0.955 324 S HN 0.666 nan 8.310 nan 0.000 0.488 325 H N 3.764 122.597 119.070 -0.395 0.000 3.078 325 H HA 0.245 4.801 4.556 0.000 0.000 0.319 325 H C -0.619 174.609 175.328 -0.165 0.000 0.995 325 H CA -0.362 55.553 56.048 -0.223 0.000 1.417 325 H CB 0.969 30.638 29.762 -0.156 0.000 1.598 325 H HN 0.770 nan 8.280 nan 0.000 0.515 326 D N 2.690 123.055 120.400 -0.058 0.000 2.870 326 D HA -0.164 4.476 4.640 0.000 0.000 0.228 326 D C 1.269 177.538 176.300 -0.051 0.000 1.147 326 D CA 1.458 55.434 54.000 -0.041 0.000 0.757 326 D CB -1.226 39.568 40.800 -0.009 0.000 1.091 326 D HN 1.142 nan 8.370 nan 0.000 0.429 327 G N -1.838 106.899 108.800 -0.104 0.000 2.159 327 G HA2 -0.276 3.684 3.960 0.000 0.000 0.256 327 G HA3 -0.276 3.684 3.960 0.000 0.000 0.256 327 G C 0.231 175.119 174.900 -0.020 0.000 0.977 327 G CA 0.323 45.387 45.100 -0.061 0.000 0.652 327 G HN 0.631 nan 8.290 nan 0.000 0.531 328 V N 0.114 119.988 119.914 -0.067 0.000 2.444 328 V HA 0.651 4.771 4.120 0.000 0.000 0.294 328 V C -0.118 175.960 176.094 -0.027 0.000 1.022 328 V CA -1.069 61.248 62.300 0.028 0.000 0.850 328 V CB 1.225 33.075 31.823 0.045 0.000 0.992 328 V HN 0.294 nan 8.190 nan 0.000 0.426 329 W N 3.125 124.430 121.300 0.009 0.000 2.316 329 W HA 0.637 5.297 4.660 0.000 0.000 0.321 329 W C 0.675 177.212 176.519 0.030 0.000 1.203 329 W CA -0.155 57.193 57.345 0.005 0.000 1.214 329 W CB 1.438 30.883 29.460 -0.025 0.000 1.169 329 W HN 0.646 nan 8.180 nan 0.000 0.561 330 T N -0.942 113.761 114.554 0.248 0.000 2.906 330 T HA 0.662 5.012 4.350 0.000 0.000 0.295 330 T C -0.747 174.034 174.700 0.134 0.000 1.075 330 T CA -1.007 61.188 62.100 0.158 0.000 1.005 330 T CB 1.848 70.784 68.868 0.115 0.000 1.136 330 T HN 0.270 nan 8.240 nan 0.000 0.498 331 S N 0.484 116.228 115.700 0.074 0.000 2.593 331 S HA 0.794 5.264 4.470 0.000 0.000 0.297 331 S C -0.071 174.546 174.600 0.029 0.000 1.112 331 S CA -0.496 57.731 58.200 0.045 0.000 1.043 331 S CB 0.971 64.182 63.200 0.018 0.000 1.054 331 S HN 1.162 nan 8.310 nan 0.000 0.516 332 T N 0.318 114.886 114.554 0.023 0.000 2.940 332 T HA 0.825 5.175 4.350 0.000 0.000 0.288 332 T C -0.416 174.299 174.700 0.025 0.000 1.033 332 T CA -0.623 61.494 62.100 0.028 0.000 1.033 332 T CB 1.330 70.224 68.868 0.044 0.000 1.079 332 T HN 0.773 nan 8.240 nan 0.000 0.496 333 S N 0.599 116.316 115.700 0.029 0.000 2.618 333 S HA 0.776 5.246 4.470 0.000 0.000 0.277 333 S C -0.681 173.943 174.600 0.040 0.000 1.138 333 S CA -0.914 57.301 58.200 0.025 0.000 0.844 333 S CB 1.641 64.843 63.200 0.003 0.000 1.127 333 S HN 0.797 nan 8.310 nan 0.000 0.474 334 S N 0.408 116.132 115.700 0.040 0.000 2.718 334 S HA 0.431 4.901 4.470 0.000 0.000 0.300 334 S C 0.965 175.585 174.600 0.034 0.000 1.117 334 S CA -0.719 57.515 58.200 0.057 0.000 1.002 334 S CB 1.651 64.902 63.200 0.085 0.000 1.092 334 S HN 0.895 nan 8.310 nan 0.000 0.542 335 E N 0.774 120.998 120.200 0.040 0.000 1.984 335 E HA -0.164 4.186 4.350 0.000 0.000 0.203 335 E C 0.723 177.324 176.600 0.003 0.000 0.998 335 E CA 1.111 57.523 56.400 0.020 0.000 0.865 335 E CB -0.114 29.599 29.700 0.022 0.000 0.806 335 E HN 0.462 nan 8.360 nan 0.000 0.504 336 Q N 0.176 119.982 119.800 0.010 0.000 2.491 336 Q HA -0.002 4.338 4.340 0.000 0.000 0.214 336 Q C -0.038 175.928 176.000 -0.057 0.000 0.970 336 Q CA 0.029 55.827 55.803 -0.008 0.000 0.960 336 Q CB -0.988 27.751 28.738 0.002 0.000 0.996 336 Q HN 0.264 nan 8.270 nan 0.000 0.524 337 c N 3.618 122.181 118.600 -0.062 0.000 2.592 337 c HA 0.004 4.574 4.570 0.000 0.000 0.408 337 c C -0.338 173.594 174.090 -0.263 0.000 1.436 337 c CA -1.147 55.084 56.329 -0.163 0.000 1.595 337 c CB 0.224 42.689 42.510 -0.074 0.000 2.487 337 c HN 0.401 nan 8.230 nan 0.000 0.610 338 P HA 0.012 nan 4.420 nan 0.000 0.229 338 P C 0.132 177.292 177.300 -0.234 0.000 1.160 338 P CA 0.996 63.876 63.100 -0.366 0.000 0.777 338 P CB -0.055 31.330 31.700 -0.526 0.000 0.814 339 I N -1.885 118.563 120.570 -0.203 0.000 2.863 339 I HA 0.665 4.835 4.170 0.000 0.000 0.311 339 I C -0.246 175.811 176.117 -0.100 0.000 1.026 339 I CA -1.652 59.568 61.300 -0.133 0.000 1.077 339 I CB 2.114 40.050 38.000 -0.107 0.000 1.262 339 I HN -0.229 nan 8.210 nan 0.000 0.461 340 R N 3.750 124.198 120.500 -0.088 0.000 2.707 340 R HA 0.711 5.051 4.340 0.000 0.000 0.272 340 R C -2.079 174.178 176.300 -0.072 0.000 1.011 340 R CA -1.032 55.023 56.100 -0.075 0.000 0.893 340 R CB 1.578 31.828 30.300 -0.083 0.000 1.233 340 R HN 0.706 nan 8.270 nan 0.000 0.464 341 L N 2.369 123.559 121.223 -0.055 0.000 2.296 341 L HA 0.742 5.082 4.340 0.000 0.000 0.286 341 L C -0.387 176.456 176.870 -0.045 0.000 1.023 341 L CA -1.234 53.577 54.840 -0.048 0.000 0.812 341 L CB 1.695 43.736 42.059 -0.030 0.000 1.223 341 L HN 0.579 nan 8.230 nan 0.000 0.421 342 V N 1.937 121.817 119.914 -0.058 0.000 2.971 342 V HA 0.379 4.499 4.120 0.000 0.000 0.309 342 V C -0.375 175.696 176.094 -0.039 0.000 1.130 342 V CA -0.623 61.648 62.300 -0.048 0.000 0.964 342 V CB 2.166 33.936 31.823 -0.088 0.000 1.029 342 V HN 0.907 nan 8.190 nan 0.000 0.427 343 E N 2.949 123.144 120.200 -0.009 0.000 2.534 343 E HA 0.285 4.635 4.350 0.000 0.000 0.264 343 E C 0.528 177.114 176.600 -0.023 0.000 0.981 343 E CA 0.885 57.283 56.400 -0.002 0.000 0.948 343 E CB 0.893 30.612 29.700 0.032 0.000 0.934 343 E HN 1.054 nan 8.360 nan 0.000 0.459 344 G N 2.458 111.239 108.800 -0.031 0.000 2.829 344 G HA2 -0.050 3.910 3.960 0.000 0.000 0.173 344 G HA3 -0.050 3.910 3.960 0.000 0.000 0.173 344 G C 0.273 175.167 174.900 -0.011 0.000 1.476 344 G CA -0.039 45.046 45.100 -0.026 0.000 1.072 344 G HN 0.593 nan 8.290 nan 0.000 0.577 345 Q N -0.355 119.440 119.800 -0.009 0.000 2.297 345 Q HA 0.094 4.434 4.340 0.000 0.000 0.208 345 Q C 1.311 177.313 176.000 0.002 0.000 0.981 345 Q CA 1.264 57.066 55.803 -0.001 0.000 0.876 345 Q CB -0.197 28.540 28.738 -0.002 0.000 0.921 345 Q HN 0.502 nan 8.270 nan 0.000 0.446 346 S N -2.619 113.081 115.700 -0.000 0.000 2.688 346 S HA 0.303 4.773 4.470 0.000 0.000 0.275 346 S C 0.135 174.746 174.600 0.019 0.000 1.175 346 S CA -0.927 57.279 58.200 0.011 0.000 0.818 346 S CB 0.939 64.144 63.200 0.009 0.000 1.157 346 S HN -0.028 nan 8.310 nan 0.000 0.482 347 Q N 0.186 120.014 119.800 0.047 0.000 2.364 347 Q HA 0.049 4.389 4.340 0.000 0.000 0.207 347 Q C 1.295 177.339 176.000 0.074 0.000 0.970 347 Q CA 1.086 56.947 55.803 0.097 0.000 0.888 347 Q CB -0.325 28.492 28.738 0.131 0.000 0.951 347 Q HN 0.690 nan 8.270 nan 0.000 0.469 348 N N -0.680 118.030 118.700 0.016 0.000 2.515 348 N HA -0.024 4.716 4.740 0.000 0.000 0.185 348 N C -0.877 174.557 175.510 -0.126 0.000 1.109 348 N CA 0.180 53.208 53.050 -0.037 0.000 0.903 348 N CB 0.631 39.110 38.487 -0.014 0.000 0.969 348 N HN -0.118 nan 8.380 nan 0.000 0.450 349 V N 1.120 120.964 119.914 -0.117 0.000 2.876 349 V HA 0.517 4.637 4.120 0.000 0.000 0.312 349 V C -0.763 175.241 176.094 -0.150 0.000 1.085 349 V CA -1.152 61.065 62.300 -0.138 0.000 0.945 349 V CB 1.793 33.569 31.823 -0.077 0.000 1.017 349 V HN 0.091 nan 8.190 nan 0.000 0.428 350 L N 2.022 123.142 121.223 -0.171 0.000 2.388 350 L HA 0.866 5.206 4.340 0.000 0.000 0.264 350 L C -0.707 176.104 176.870 -0.098 0.000 0.998 350 L CA -0.392 54.365 54.840 -0.138 0.000 0.817 350 L CB 2.055 43.999 42.059 -0.192 0.000 1.338 350 L HN 0.695 nan 8.230 nan 0.000 0.414 351 Q N 1.330 121.087 119.800 -0.072 0.000 2.399 351 Q HA 0.806 5.146 4.340 0.000 0.000 0.276 351 Q C -1.387 174.580 176.000 -0.055 0.000 1.098 351 Q CA -1.259 54.512 55.803 -0.054 0.000 0.827 351 Q CB 3.094 31.808 28.738 -0.040 0.000 1.386 351 Q HN 0.579 nan 8.270 nan 0.000 0.443 352 V N 1.864 121.754 119.914 -0.040 0.000 2.328 352 V HA 0.415 4.535 4.120 0.000 0.000 0.278 352 V C -0.300 175.769 176.094 -0.042 0.000 1.021 352 V CA -0.613 61.663 62.300 -0.041 0.000 0.838 352 V CB 0.730 32.541 31.823 -0.021 0.000 0.999 352 V HN 0.583 nan 8.190 nan 0.000 0.447 353 R N 2.920 123.379 120.500 -0.069 0.000 2.598 353 R HA 0.880 5.220 4.340 0.000 0.000 0.279 353 R C -1.023 175.235 176.300 -0.070 0.000 0.984 353 R CA -0.668 55.394 56.100 -0.063 0.000 0.999 353 R CB 2.443 32.639 30.300 -0.175 0.000 1.114 353 R HN 0.483 nan 8.270 nan 0.000 0.493 354 V N 0.414 120.296 119.914 -0.053 0.000 3.216 354 V HA 0.661 4.781 4.120 0.000 0.000 0.302 354 V C -1.315 174.728 176.094 -0.085 0.000 1.286 354 V CA -0.723 61.520 62.300 -0.095 0.000 1.048 354 V CB 2.301 34.041 31.823 -0.139 0.000 1.081 354 V HN 0.934 nan 8.190 nan 0.000 0.442 355 A N 4.833 127.592 122.820 -0.102 0.000 2.331 355 A HA 0.701 5.021 4.320 0.000 0.000 0.283 355 A C -1.947 175.552 177.584 -0.142 0.000 1.142 355 A CA -1.225 50.753 52.037 -0.099 0.000 0.812 355 A CB 0.711 19.666 19.000 -0.076 0.000 1.074 355 A HN 0.732 nan 8.150 nan 0.000 0.497 356 P HA -0.198 nan 4.420 nan 0.000 0.216 356 P C 1.656 178.936 177.300 -0.034 0.000 1.153 356 P CA 2.436 65.402 63.100 -0.223 0.000 0.858 356 P CB -0.052 31.461 31.700 -0.311 0.000 0.789 357 T N -4.642 109.900 114.554 -0.020 0.000 3.051 357 T HA -0.034 4.316 4.350 0.000 0.000 0.269 357 T C 1.707 176.393 174.700 -0.022 0.000 1.127 357 T CA 1.279 63.381 62.100 0.003 0.000 1.107 357 T CB -1.018 67.849 68.868 -0.002 0.000 0.898 357 T HN -0.025 nan 8.240 nan 0.000 0.517 358 S N 0.714 116.377 115.700 -0.060 0.000 2.470 358 S HA 0.208 4.678 4.470 0.000 0.000 0.225 358 S C 1.895 176.440 174.600 -0.092 0.000 1.006 358 S CA 0.147 58.299 58.200 -0.079 0.000 0.934 358 S CB -0.240 62.885 63.200 -0.126 0.000 0.778 358 S HN 0.276 nan 8.310 nan 0.000 0.517 359 M N 1.283 120.819 119.600 -0.107 0.000 2.149 359 M HA -0.029 4.451 4.480 0.000 0.000 0.261 359 M C -1.128 175.086 176.300 -0.143 0.000 1.064 359 M CA 1.042 56.246 55.300 -0.159 0.000 1.102 359 M CB -2.531 29.996 32.600 -0.121 0.000 1.369 359 M HN 0.092 nan 8.290 nan 0.000 0.408 360 P HA -0.050 nan 4.420 nan 0.000 0.226 360 P C 0.770 178.065 177.300 -0.009 0.000 1.153 360 P CA 1.041 64.089 63.100 -0.086 0.000 0.777 360 P CB 0.049 31.727 31.700 -0.036 0.000 0.794 361 N N -1.502 117.226 118.700 0.047 0.000 2.205 361 N HA 0.085 4.825 4.740 0.000 0.000 0.201 361 N C 0.000 175.610 175.510 0.167 0.000 1.128 361 N CA -0.136 53.026 53.050 0.187 0.000 0.867 361 N CB 0.152 38.777 38.487 0.231 0.000 0.996 361 N HN 0.129 nan 8.380 nan 0.000 0.503 362 L N 1.389 122.637 121.223 0.041 0.000 2.313 362 L HA 0.186 4.526 4.340 0.000 0.000 0.282 362 L C 1.056 177.991 176.870 0.108 0.000 1.092 362 L CA 0.149 55.001 54.840 0.020 0.000 0.831 362 L CB 1.229 43.199 42.059 -0.149 0.000 1.159 362 L HN -0.214 nan 8.230 nan 0.000 0.442 363 V N 4.098 124.081 119.914 0.115 0.000 2.575 363 V HA 0.470 4.590 4.120 0.000 0.000 0.242 363 V C 1.010 177.341 176.094 0.395 0.000 1.045 363 V CA 0.902 63.329 62.300 0.211 0.000 1.065 363 V CB -0.271 31.490 31.823 -0.104 0.000 0.717 363 V HN 0.922 nan 8.190 nan 0.000 0.467 364 G N -0.646 108.326 108.800 0.288 0.000 2.547 364 G HA2 0.548 4.508 3.960 0.000 0.000 0.291 364 G HA3 0.548 4.508 3.960 0.000 0.000 0.291 364 G C -1.756 173.261 174.900 0.195 0.000 1.471 364 G CA 0.190 45.446 45.100 0.261 0.000 0.798 364 G HN 0.561 nan 8.290 nan 0.000 0.504 365 V N -2.256 117.755 119.914 0.161 0.000 2.925 365 V HA 0.965 5.085 4.120 0.000 0.000 0.311 365 V C -0.361 175.758 176.094 0.041 0.000 1.104 365 V CA -0.881 61.480 62.300 0.102 0.000 0.954 365 V CB 1.617 33.521 31.823 0.136 0.000 1.022 365 V HN 1.034 nan 8.190 nan 0.000 0.427 366 S N 4.201 119.909 115.700 0.014 0.000 2.536 366 S HA 0.785 5.255 4.470 0.000 0.000 0.287 366 S C -0.751 173.862 174.600 0.022 0.000 1.101 366 S CA -0.667 57.536 58.200 0.004 0.000 0.950 366 S CB 1.591 64.763 63.200 -0.048 0.000 1.056 366 S HN 0.792 nan 8.310 nan 0.000 0.481 367 L N 2.950 124.214 121.223 0.068 0.000 2.307 367 L HA 0.612 4.952 4.340 0.000 0.000 0.284 367 L C -0.738 176.177 176.870 0.075 0.000 1.023 367 L CA -0.268 54.625 54.840 0.089 0.000 0.810 367 L CB 1.105 43.262 42.059 0.164 0.000 1.231 367 L HN 0.480 nan 8.230 nan 0.000 0.423 368 M N 6.257 125.923 119.600 0.111 0.000 2.204 368 M HA 0.623 5.103 4.480 0.000 0.000 0.293 368 M C -0.894 175.503 176.300 0.162 0.000 0.994 368 M CA -0.299 55.087 55.300 0.143 0.000 0.925 368 M CB 2.201 34.949 32.600 0.248 0.000 1.577 368 M HN 0.517 nan 8.290 nan 0.000 0.439 369 L N -0.897 120.385 121.223 0.097 0.000 2.801 369 L HA 0.754 5.094 4.340 0.000 0.000 0.264 369 L C -0.594 176.308 176.870 0.052 0.000 1.086 369 L CA -1.240 53.655 54.840 0.091 0.000 0.920 369 L CB 1.270 43.358 42.059 0.049 0.000 1.529 369 L HN 0.440 nan 8.230 nan 0.000 0.399 370 E N 1.277 121.508 120.200 0.053 0.000 2.868 370 E HA 0.272 4.622 4.350 0.000 0.000 0.246 370 E C 1.081 177.682 176.600 0.000 0.000 0.962 370 E CA 1.746 58.164 56.400 0.030 0.000 0.955 370 E CB -0.180 29.542 29.700 0.037 0.000 0.903 370 E HN 1.066 nan 8.360 nan 0.000 0.524 371 G N 3.973 112.763 108.800 -0.018 0.000 2.187 371 G HA2 -0.324 3.636 3.960 0.000 0.000 0.261 371 G HA3 -0.324 3.636 3.960 0.000 0.000 0.261 371 G C -0.125 174.731 174.900 -0.072 0.000 1.000 371 G CA 0.797 45.872 45.100 -0.043 0.000 0.718 371 G HN 0.570 nan 8.290 nan 0.000 0.519 372 Q N -1.288 118.453 119.800 -0.098 0.000 2.353 372 Q HA 0.611 4.951 4.340 0.000 0.000 0.275 372 Q C -0.824 174.987 176.000 -0.315 0.000 1.029 372 Q CA -0.666 54.990 55.803 -0.245 0.000 0.848 372 Q CB 2.132 30.777 28.738 -0.155 0.000 1.390 372 Q HN 0.348 nan 8.270 nan 0.000 0.401 373 Q N 2.040 121.496 119.800 -0.572 0.000 2.269 373 Q HA 0.441 4.781 4.340 0.000 0.000 0.263 373 Q C -2.033 173.596 176.000 -0.620 0.000 0.983 373 Q CA -0.426 55.145 55.803 -0.387 0.000 0.777 373 Q CB 1.360 30.034 28.738 -0.108 0.000 1.273 373 Q HN 0.622 nan 8.270 nan 0.000 0.440 374 Y N 1.879 122.183 120.300 0.007 0.000 2.326 374 Y HA 0.415 4.965 4.550 0.000 0.000 0.331 374 Y C -0.332 175.540 175.900 -0.047 0.000 0.962 374 Y CA -0.825 57.260 58.100 -0.025 0.000 1.167 374 Y CB 1.695 40.135 38.460 -0.032 0.000 1.148 374 Y HN 0.501 nan 8.280 nan 0.000 0.463 375 R N 4.078 124.611 120.500 0.055 0.000 2.233 375 R HA 0.494 4.834 4.340 0.000 0.000 0.334 375 R C -1.697 174.561 176.300 -0.071 0.000 1.037 375 R CA -0.651 55.435 56.100 -0.024 0.000 0.920 375 R CB 0.133 30.401 30.300 -0.054 0.000 1.137 375 R HN 0.562 nan 8.270 nan 0.000 0.492 376 L N 3.646 124.810 121.223 -0.097 0.000 2.292 376 L HA 0.379 4.719 4.340 0.000 0.000 0.284 376 L C -0.039 176.607 176.870 -0.374 0.000 1.065 376 L CA 0.179 54.872 54.840 -0.244 0.000 0.806 376 L CB 1.534 43.462 42.059 -0.219 0.000 1.175 376 L HN 0.596 nan 8.230 nan 0.000 0.431 377 E N 1.916 121.794 120.200 -0.536 0.000 2.238 377 E HA 0.273 4.623 4.350 0.000 0.000 0.267 377 E C -0.743 175.433 176.600 -0.707 0.000 0.887 377 E CA -0.454 55.615 56.400 -0.552 0.000 0.769 377 E CB 1.583 30.861 29.700 -0.703 0.000 1.187 377 E HN 0.418 nan 8.360 nan 0.000 0.416 378 Y N 0.783 121.058 120.300 -0.041 0.000 2.457 378 Y HA 0.156 4.706 4.550 0.000 0.000 0.263 378 Y C 0.188 176.205 175.900 0.196 0.000 1.164 378 Y CA -0.347 57.776 58.100 0.038 0.000 1.274 378 Y CB 0.198 38.679 38.460 0.036 0.000 1.097 378 Y HN 0.390 nan 8.280 nan 0.000 0.523 379 F N -1.206 118.858 119.950 0.191 0.000 2.523 379 F HA 0.883 5.410 4.527 0.000 0.000 0.329 379 F C 0.612 176.492 175.800 0.133 0.000 1.061 379 F CA -1.156 56.982 58.000 0.230 0.000 0.967 379 F CB 0.824 39.949 39.000 0.208 0.000 1.218 379 F HN 0.048 nan 8.300 nan 0.000 0.480 380 G N 2.215 111.120 108.800 0.176 0.000 2.660 380 G HA2 -0.101 3.859 3.960 0.000 0.000 0.215 380 G HA3 -0.101 3.859 3.960 0.000 0.000 0.215 380 G C -0.745 174.172 174.900 0.028 0.000 1.345 380 G CA 0.085 45.243 45.100 0.096 0.000 0.877 380 G HN 0.980 nan 8.290 nan 0.000 0.549 381 D N -0.600 119.857 120.400 0.095 0.000 2.523 381 D HA 0.215 4.855 4.640 0.000 0.000 0.269 381 D C 0.529 176.887 176.300 0.096 0.000 1.374 381 D CA 0.471 54.503 54.000 0.054 0.000 0.820 381 D CB 0.333 41.160 40.800 0.045 0.000 1.211 381 D HN 0.771 nan 8.370 nan 0.000 0.502 382 H N 0.000 119.024 119.070 -0.077 0.000 2.539 382 H HA 0.000 4.556 4.556 0.000 0.000 0.296 382 H CA 0.000 56.013 56.048 -0.058 0.000 1.023 382 H CB 0.000 29.748 29.762 -0.023 0.000 1.292 382 H HN 0.000 nan 8.280 nan 0.000 0.496