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 3lsq_1_A DATA FIRST_RESID 0 DATA SEQUENCE MMVLDIQLFR DETGANIIRE SQRRRFADPD IVDAIIEADK KWRRTQFLTE DATA SEQUENCE ASKKLINICS KAVGAKKKAK EAXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XVLQLKQLSK DLSDQVAGLA KEAQQLEEER DKLMLNVGNI LHESVPIAQD DATA SEQUENCE EETGNTVVRT FGNTTKRAKL NHVSIMERLG MMDTSKAVTS MAGGRSYVLK DATA SEQUENCE GGLVQLQVAL VSYSLDFLVK RGYTPFYPPF FLNRDVMGEV AQLSQFDEEL DATA SEQUENCE YQVSGDGDKK YLIATSEMPI AAYHRGRWFT ELKEPLKYAG MSTCFRKEAX DATA SEQUENCE XXXXXXLGIF RVHQFDKIEQ FVVCSPRQEE SWRHLEDMIT TSEEFNKSLG DATA SEQUENCE LPYRVVNICS GALNNAAAKK YDLEAWFPAS GAFRELVSCS NCTDYQSQSV DATA SEQUENCE NCRYGPNLRG TAAQNVKEYC HMLNGTLCAI TRTMCCICEN YQTEEGVVIP DATA SEQUENCE DVLRPYMMGI EMIRFEN 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.294 176.300 -0.010 0.000 1.140 0 M CA 0.000 55.306 55.300 0.010 0.000 0.988 0 M CB 0.000 32.584 32.600 -0.026 0.000 1.302 1 M N 5.551 125.165 119.600 0.022 0.000 2.105 1 M HA 0.655 5.135 4.480 -0.001 0.000 0.350 1 M C -0.967 175.287 176.300 -0.076 0.000 1.308 1 M CA -0.295 54.988 55.300 -0.028 0.000 1.108 1 M CB 0.363 32.998 32.600 0.058 0.000 1.622 1 M HN 0.569 nan 8.290 nan 0.000 0.468 2 V N 2.952 122.703 119.914 -0.273 0.000 3.181 2 V HA 0.592 4.712 4.120 -0.001 0.000 0.308 2 V C -0.781 174.921 176.094 -0.653 0.000 1.214 2 V CA -1.383 60.722 62.300 -0.325 0.000 1.053 2 V CB 1.497 33.236 31.823 -0.139 0.000 1.069 2 V HN 0.838 nan 8.190 nan 0.000 0.441 3 L N 1.716 122.690 121.223 -0.417 0.000 2.483 3 L HA 0.357 4.697 4.340 -0.001 0.000 0.275 3 L C 0.365 177.171 176.870 -0.108 0.000 1.220 3 L CA 0.757 55.461 54.840 -0.227 0.000 0.833 3 L CB 0.068 42.252 42.059 0.208 0.000 1.102 3 L HN 1.018 nan 8.230 nan 0.000 0.490 4 D N 2.624 122.975 120.400 -0.082 0.000 2.401 4 D HA -0.055 4.585 4.640 -0.001 0.000 0.254 4 D C 1.099 177.479 176.300 0.132 0.000 1.192 4 D CA 0.131 54.096 54.000 -0.058 0.000 0.885 4 D CB 0.567 41.316 40.800 -0.085 0.000 1.147 4 D HN 0.511 nan 8.370 nan 0.000 0.478 5 I N 3.732 124.329 120.570 0.044 0.000 2.454 5 I HA -0.241 3.928 4.170 -0.001 0.000 0.254 5 I C 1.953 178.201 176.117 0.218 0.000 1.156 5 I CA 1.441 62.789 61.300 0.080 0.000 1.433 5 I CB -0.187 37.734 38.000 -0.131 0.000 1.082 5 I HN 0.544 nan 8.210 nan 0.000 0.432 6 Q N -0.656 119.236 119.800 0.152 0.000 2.181 6 Q HA -0.234 4.106 4.340 -0.001 0.000 0.205 6 Q C 2.195 178.283 176.000 0.146 0.000 0.980 6 Q CA 1.601 57.491 55.803 0.144 0.000 0.862 6 Q CB -0.355 28.464 28.738 0.136 0.000 0.905 6 Q HN 0.451 nan 8.270 nan 0.000 0.429 7 L N -0.432 120.872 121.223 0.136 0.000 2.217 7 L HA -0.078 4.262 4.340 -0.001 0.000 0.211 7 L C 1.534 178.390 176.870 -0.022 0.000 1.107 7 L CA 1.325 56.176 54.840 0.018 0.000 0.783 7 L CB -0.126 41.883 42.059 -0.083 0.000 0.919 7 L HN 0.069 nan 8.230 nan 0.000 0.442 8 F N -0.517 119.438 119.950 0.009 0.000 2.407 8 F HA -0.036 4.490 4.527 -0.001 0.000 0.299 8 F C 2.139 177.949 175.800 0.016 0.000 1.097 8 F CA 0.729 58.733 58.000 0.008 0.000 1.422 8 F CB -0.302 38.696 39.000 -0.003 0.000 1.067 8 F HN -0.058 nan 8.300 nan 0.000 0.539 9 R N 0.437 121.055 120.500 0.196 0.000 2.319 9 R HA 0.027 4.367 4.340 -0.001 0.000 0.204 9 R C -0.364 175.988 176.300 0.087 0.000 0.954 9 R CA 0.278 56.458 56.100 0.133 0.000 1.066 9 R CB -0.443 29.931 30.300 0.124 0.000 0.991 9 R HN 0.287 nan 8.270 nan 0.000 0.486 10 D N -1.838 118.602 120.400 0.066 0.000 2.596 10 D HA 0.001 4.641 4.640 -0.001 0.000 0.234 10 D C -0.030 176.285 176.300 0.024 0.000 1.181 10 D CA -0.650 53.375 54.000 0.041 0.000 0.856 10 D CB 1.232 42.051 40.800 0.033 0.000 1.498 10 D HN -0.175 nan 8.370 nan 0.000 0.446 11 E N 0.460 120.671 120.200 0.017 0.000 2.118 11 E HA -0.157 4.193 4.350 -0.001 0.000 0.195 11 E C 1.228 177.823 176.600 -0.009 0.000 0.992 11 E CA 1.606 58.010 56.400 0.007 0.000 0.804 11 E CB 0.129 29.832 29.700 0.006 0.000 0.741 11 E HN 0.549 nan 8.360 nan 0.000 0.458 12 T N -0.505 114.044 114.554 -0.009 0.000 2.746 12 T HA -0.101 4.249 4.350 -0.001 0.000 0.267 12 T C 1.676 176.354 174.700 -0.037 0.000 1.039 12 T CA 1.175 63.263 62.100 -0.020 0.000 1.142 12 T CB -0.407 68.454 68.868 -0.012 0.000 0.866 12 T HN 0.358 nan 8.240 nan 0.000 0.444 13 G N 0.863 109.640 108.800 -0.039 0.000 2.403 13 G HA2 0.072 4.031 3.960 -0.001 0.000 0.216 13 G HA3 0.072 4.031 3.960 -0.001 0.000 0.216 13 G C 1.825 176.644 174.900 -0.135 0.000 1.154 13 G CA 0.741 45.795 45.100 -0.077 0.000 0.784 13 G HN 0.556 nan 8.290 nan 0.000 0.538 14 A N 1.358 124.119 122.820 -0.098 0.000 1.933 14 A HA -0.091 4.229 4.320 -0.001 0.000 0.218 14 A C 2.259 179.787 177.584 -0.095 0.000 1.175 14 A CA 1.863 53.836 52.037 -0.107 0.000 0.628 14 A CB -0.415 18.579 19.000 -0.009 0.000 0.814 14 A HN 0.329 nan 8.150 nan 0.000 0.444 15 N N 0.069 118.730 118.700 -0.065 0.000 2.188 15 N HA -0.062 4.677 4.740 -0.001 0.000 0.184 15 N C 1.586 177.051 175.510 -0.075 0.000 1.018 15 N CA 1.284 54.300 53.050 -0.058 0.000 0.858 15 N CB -0.430 38.032 38.487 -0.042 0.000 0.989 15 N HN 0.573 nan 8.380 nan 0.000 0.426 16 I N 0.745 121.263 120.570 -0.088 0.000 2.226 16 I HA -0.226 3.944 4.170 -0.001 0.000 0.245 16 I C 1.845 177.893 176.117 -0.115 0.000 1.100 16 I CA 0.946 62.191 61.300 -0.093 0.000 1.374 16 I CB -0.142 37.807 38.000 -0.085 0.000 1.057 16 I HN 0.045 nan 8.210 nan 0.000 0.413 17 I N 0.104 120.574 120.570 -0.167 0.000 2.252 17 I HA -0.243 3.927 4.170 -0.001 0.000 0.245 17 I C 2.670 178.718 176.117 -0.115 0.000 1.102 17 I CA 1.211 62.394 61.300 -0.194 0.000 1.385 17 I CB -0.388 37.373 38.000 -0.398 0.000 1.064 17 I HN 0.105 nan 8.210 nan 0.000 0.414 18 R N 0.452 120.897 120.500 -0.092 0.000 2.081 18 R HA -0.200 4.140 4.340 -0.001 0.000 0.235 18 R C 2.270 178.531 176.300 -0.064 0.000 1.131 18 R CA 1.545 57.612 56.100 -0.055 0.000 0.960 18 R CB -0.315 29.962 30.300 -0.039 0.000 0.856 18 R HN 0.423 nan 8.270 nan 0.000 0.436 19 E N 0.235 120.390 120.200 -0.074 0.000 2.051 19 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 19 E C 1.952 178.497 176.600 -0.093 0.000 0.991 19 E CA 1.427 57.777 56.400 -0.083 0.000 0.799 19 E CB -0.022 29.629 29.700 -0.082 0.000 0.748 19 E HN 0.131 nan 8.360 nan 0.000 0.449 20 S N -0.239 115.410 115.700 -0.085 0.000 2.370 20 S HA -0.193 4.276 4.470 -0.001 0.000 0.226 20 S C 2.013 176.571 174.600 -0.069 0.000 1.033 20 S CA 1.201 59.355 58.200 -0.076 0.000 1.011 20 S CB -0.159 63.004 63.200 -0.063 0.000 0.852 20 S HN 0.280 nan 8.310 nan 0.000 0.457 21 Q N 0.860 120.626 119.800 -0.056 0.000 2.061 21 Q HA -0.100 4.240 4.340 -0.001 0.000 0.204 21 Q C 2.436 178.393 176.000 -0.073 0.000 0.984 21 Q CA 1.495 57.276 55.803 -0.037 0.000 0.846 21 Q CB -0.463 28.267 28.738 -0.012 0.000 0.902 21 Q HN 0.604 nan 8.270 nan 0.000 0.421 22 R N 0.190 120.626 120.500 -0.107 0.000 2.096 22 R HA -0.062 4.278 4.340 -0.001 0.000 0.235 22 R C 2.304 178.410 176.300 -0.324 0.000 1.127 22 R CA 1.014 57.010 56.100 -0.173 0.000 0.968 22 R CB -0.191 30.021 30.300 -0.147 0.000 0.861 22 R HN 0.194 nan 8.270 nan 0.000 0.440 23 R N 0.134 120.477 120.500 -0.263 0.000 2.235 23 R HA -0.000 4.339 4.340 -0.001 0.000 0.213 23 R C 1.814 177.948 176.300 -0.277 0.000 1.059 23 R CA 0.722 56.634 56.100 -0.313 0.000 0.997 23 R CB 0.022 30.215 30.300 -0.177 0.000 0.884 23 R HN 0.139 nan 8.270 nan 0.000 0.462 24 R N -0.324 120.090 120.500 -0.142 0.000 2.317 24 R HA 0.079 4.418 4.340 -0.001 0.000 0.208 24 R C -0.398 176.032 176.300 0.217 0.000 0.914 24 R CA -0.005 56.121 56.100 0.044 0.000 1.060 24 R CB 0.237 30.558 30.300 0.036 0.000 1.015 24 R HN 0.070 nan 8.270 nan 0.000 0.498 25 F N -1.050 118.894 119.950 -0.009 0.000 3.058 25 F HA -0.295 4.232 4.527 -0.001 0.000 0.295 25 F C 0.304 176.103 175.800 -0.000 0.000 0.875 25 F CA 0.404 58.401 58.000 -0.005 0.000 1.150 25 F CB -1.974 37.023 39.000 -0.005 0.000 1.175 25 F HN 0.096 nan 8.300 nan 0.000 0.599 26 A N -0.842 122.031 122.820 0.088 0.000 2.312 26 A HA 0.670 4.989 4.320 -0.001 0.000 0.310 26 A C -0.332 177.277 177.584 0.042 0.000 1.139 26 A CA -0.456 51.623 52.037 0.070 0.000 0.886 26 A CB 0.725 19.759 19.000 0.056 0.000 1.350 26 A HN 0.079 nan 8.150 nan 0.000 0.479 27 D N 0.306 120.732 120.400 0.043 0.000 2.336 27 D HA 0.331 4.971 4.640 -0.001 0.000 0.249 27 D C -1.458 174.860 176.300 0.031 0.000 1.213 27 D CA -1.725 52.296 54.000 0.035 0.000 0.870 27 D CB 1.135 41.958 40.800 0.039 0.000 1.076 27 D HN 0.119 nan 8.370 nan 0.000 0.483 28 P HA -0.057 nan 4.420 nan 0.000 0.220 28 P C 0.545 177.864 177.300 0.031 0.000 1.152 28 P CA 0.489 63.598 63.100 0.015 0.000 0.812 28 P CB 0.502 32.197 31.700 -0.008 0.000 0.792 29 D N 0.051 120.468 120.400 0.028 0.000 2.271 29 D HA -0.129 4.511 4.640 -0.001 0.000 0.207 29 D C 1.946 178.273 176.300 0.045 0.000 0.983 29 D CA 0.665 54.684 54.000 0.032 0.000 0.878 29 D CB -0.849 39.966 40.800 0.025 0.000 0.920 29 D HN 0.236 nan 8.370 nan 0.000 0.479 30 I N 0.072 120.674 120.570 0.055 0.000 2.361 30 I HA -0.247 3.923 4.170 -0.001 0.000 0.251 30 I C 2.081 178.261 176.117 0.104 0.000 1.133 30 I CA 0.528 61.868 61.300 0.067 0.000 1.413 30 I CB 0.122 38.167 38.000 0.075 0.000 1.073 30 I HN -0.076 nan 8.210 nan 0.000 0.424 31 V N 0.586 120.586 119.914 0.143 0.000 2.332 31 V HA -0.325 3.794 4.120 -0.001 0.000 0.248 31 V C 2.054 178.253 176.094 0.175 0.000 1.055 31 V CA 2.026 64.470 62.300 0.239 0.000 1.038 31 V CB -0.691 31.228 31.823 0.160 0.000 0.651 31 V HN 0.422 nan 8.190 nan 0.000 0.450 32 D N 0.476 120.935 120.400 0.099 0.000 2.123 32 D HA -0.143 4.496 4.640 -0.001 0.000 0.196 32 D C 2.240 178.571 176.300 0.051 0.000 0.992 32 D CA 1.743 55.785 54.000 0.070 0.000 0.833 32 D CB -0.349 40.479 40.800 0.046 0.000 0.954 32 D HN 0.454 nan 8.370 nan 0.000 0.455 33 A N 0.596 123.440 122.820 0.039 0.000 1.933 33 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 33 A C 2.383 179.960 177.584 -0.011 0.000 1.175 33 A CA 0.855 52.901 52.037 0.016 0.000 0.628 33 A CB -0.639 18.368 19.000 0.012 0.000 0.814 33 A HN 0.197 nan 8.150 nan 0.000 0.444 34 I N -0.545 120.008 120.570 -0.028 0.000 2.252 34 I HA -0.224 3.945 4.170 -0.001 0.000 0.245 34 I C 2.266 178.315 176.117 -0.113 0.000 1.102 34 I CA 1.121 62.335 61.300 -0.143 0.000 1.385 34 I CB -0.284 37.519 38.000 -0.328 0.000 1.064 34 I HN 0.286 nan 8.210 nan 0.000 0.414 35 I N 0.673 121.240 120.570 -0.004 0.000 2.163 35 I HA -0.315 3.855 4.170 -0.001 0.000 0.243 35 I C 2.631 178.766 176.117 0.031 0.000 1.085 35 I CA 1.505 62.831 61.300 0.043 0.000 1.347 35 I CB -0.282 37.776 38.000 0.097 0.000 1.044 35 I HN 0.251 nan 8.210 nan 0.000 0.408 36 E N 1.429 121.645 120.200 0.026 0.000 2.051 36 E HA -0.211 4.138 4.350 -0.001 0.000 0.192 36 E C 2.103 178.723 176.600 0.033 0.000 0.991 36 E CA 1.834 58.251 56.400 0.029 0.000 0.799 36 E CB -0.261 29.453 29.700 0.024 0.000 0.748 36 E HN 0.402 nan 8.360 nan 0.000 0.449 37 A N 0.472 123.300 122.820 0.013 0.000 1.908 37 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 37 A C 2.142 179.766 177.584 0.067 0.000 1.181 37 A CA 2.053 54.104 52.037 0.023 0.000 0.627 37 A CB -0.999 17.987 19.000 -0.023 0.000 0.818 37 A HN 0.449 nan 8.150 nan 0.000 0.445 38 D N -0.732 119.686 120.400 0.030 0.000 2.144 38 D HA -0.166 4.474 4.640 -0.001 0.000 0.200 38 D C 1.937 178.355 176.300 0.196 0.000 0.978 38 D CA 1.607 55.662 54.000 0.091 0.000 0.833 38 D CB -0.101 40.695 40.800 -0.006 0.000 0.961 38 D HN 0.502 nan 8.370 nan 0.000 0.470 39 K N 0.271 120.742 120.400 0.119 0.000 2.057 39 K HA -0.128 4.192 4.320 -0.001 0.000 0.206 39 K C 1.944 178.605 176.600 0.102 0.000 1.050 39 K CA 1.133 57.481 56.287 0.102 0.000 0.935 39 K CB 0.103 32.638 32.500 0.059 0.000 0.715 39 K HN -0.001 nan 8.250 nan 0.000 0.439 40 K N -0.618 119.844 120.400 0.104 0.000 2.057 40 K HA -0.182 4.137 4.320 -0.001 0.000 0.206 40 K C 1.883 178.554 176.600 0.119 0.000 1.050 40 K CA 1.550 57.890 56.287 0.089 0.000 0.935 40 K CB -0.325 32.221 32.500 0.077 0.000 0.715 40 K HN 0.304 nan 8.250 nan 0.000 0.439 41 W N 2.398 123.701 121.300 0.005 0.000 2.333 41 W HA -0.204 4.455 4.660 -0.001 0.000 0.316 41 W C 1.975 178.511 176.519 0.029 0.000 1.215 41 W CA 1.569 58.919 57.345 0.010 0.000 1.278 41 W CB -0.099 29.358 29.460 -0.006 0.000 1.154 41 W HN -0.103 nan 8.180 nan 0.000 0.486 42 R N -0.293 120.303 120.500 0.161 0.000 2.091 42 R HA -0.217 4.122 4.340 -0.001 0.000 0.238 42 R C 2.251 178.486 176.300 -0.109 0.000 1.136 42 R CA 1.774 57.851 56.100 -0.040 0.000 0.959 42 R CB -0.607 29.793 30.300 0.166 0.000 0.856 42 R HN 0.032 nan 8.270 nan 0.000 0.437 43 R N 0.981 121.464 120.500 -0.029 0.000 2.117 43 R HA -0.137 4.203 4.340 -0.001 0.000 0.243 43 R C 2.205 178.497 176.300 -0.012 0.000 1.143 43 R CA 2.445 58.552 56.100 0.012 0.000 0.968 43 R CB -0.900 29.409 30.300 0.015 0.000 0.863 43 R HN 0.413 nan 8.270 nan 0.000 0.444 44 T N -1.755 112.719 114.554 -0.133 0.000 2.746 44 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 44 T C 1.664 176.218 174.700 -0.244 0.000 1.039 44 T CA 0.948 62.943 62.100 -0.176 0.000 1.142 44 T CB -0.271 68.465 68.868 -0.221 0.000 0.866 44 T HN 0.175 nan 8.240 nan 0.000 0.444 45 Q N 0.078 119.627 119.800 -0.419 0.000 2.167 45 Q HA 0.099 4.439 4.340 -0.001 0.000 0.202 45 Q C 1.970 177.871 176.000 -0.165 0.000 0.970 45 Q CA 0.975 56.543 55.803 -0.391 0.000 0.855 45 Q CB -0.729 27.617 28.738 -0.652 0.000 0.911 45 Q HN 0.700 nan 8.270 nan 0.000 0.438 46 F N 1.065 120.894 119.950 -0.203 0.000 2.113 46 F HA -0.145 4.381 4.527 -0.001 0.000 0.297 46 F C 1.902 177.646 175.800 -0.093 0.000 1.103 46 F CA 1.047 58.978 58.000 -0.116 0.000 1.248 46 F CB -0.225 38.725 39.000 -0.083 0.000 0.999 46 F HN -0.034 nan 8.300 nan 0.000 0.475 47 L N -0.430 120.701 121.223 -0.153 0.000 2.056 47 L HA -0.212 4.127 4.340 -0.001 0.000 0.207 47 L C 2.396 179.128 176.870 -0.231 0.000 1.078 47 L CA 1.758 56.464 54.840 -0.223 0.000 0.749 47 L CB -1.161 40.867 42.059 -0.051 0.000 0.901 47 L HN 0.137 nan 8.230 nan 0.000 0.433 48 T N -0.625 113.821 114.554 -0.180 0.000 2.684 48 T HA -0.230 4.119 4.350 -0.001 0.000 0.267 48 T C 1.743 176.345 174.700 -0.163 0.000 1.036 48 T CA 1.630 63.639 62.100 -0.151 0.000 1.148 48 T CB -0.201 68.585 68.868 -0.137 0.000 0.863 48 T HN 0.391 nan 8.240 nan 0.000 0.436 49 E N 0.823 120.906 120.200 -0.194 0.000 2.077 49 E HA -0.049 4.301 4.350 -0.001 0.000 0.193 49 E C 2.524 178.998 176.600 -0.211 0.000 0.989 49 E CA 0.945 57.240 56.400 -0.174 0.000 0.800 49 E CB -0.205 29.405 29.700 -0.150 0.000 0.746 49 E HN 0.477 nan 8.360 nan 0.000 0.452 50 A N 0.671 123.290 122.820 -0.335 0.000 1.930 50 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 50 A C 2.295 179.764 177.584 -0.191 0.000 1.175 50 A CA 1.427 53.275 52.037 -0.314 0.000 0.627 50 A CB -0.261 18.443 19.000 -0.493 0.000 0.815 50 A HN 0.090 nan 8.150 nan 0.000 0.443 51 S N -0.530 115.068 115.700 -0.170 0.000 2.387 51 S HA -0.071 4.399 4.470 -0.001 0.000 0.226 51 S C 1.910 176.458 174.600 -0.086 0.000 1.026 51 S CA 1.311 59.445 58.200 -0.111 0.000 0.972 51 S CB -0.144 62.999 63.200 -0.095 0.000 0.814 51 S HN 0.613 nan 8.310 nan 0.000 0.477 52 K N 1.237 121.584 120.400 -0.089 0.000 2.097 52 K HA -0.048 4.272 4.320 -0.001 0.000 0.206 52 K C 2.154 178.718 176.600 -0.060 0.000 1.049 52 K CA 1.002 57.249 56.287 -0.066 0.000 0.933 52 K CB -0.080 32.383 32.500 -0.062 0.000 0.717 52 K HN 0.158 nan 8.250 nan 0.000 0.442 53 K N 0.576 120.932 120.400 -0.073 0.000 2.057 53 K HA -0.123 4.197 4.320 -0.001 0.000 0.207 53 K C 1.757 178.327 176.600 -0.051 0.000 1.049 53 K CA 1.076 57.326 56.287 -0.061 0.000 0.931 53 K CB 0.016 32.472 32.500 -0.073 0.000 0.714 53 K HN -0.038 nan 8.250 nan 0.000 0.440 54 L N 0.629 121.817 121.223 -0.058 0.000 2.376 54 L HA -0.038 4.301 4.340 -0.001 0.000 0.219 54 L C 1.730 178.578 176.870 -0.037 0.000 1.133 54 L CA 0.958 55.770 54.840 -0.046 0.000 0.816 54 L CB -0.087 41.942 42.059 -0.050 0.000 0.933 54 L HN 0.185 nan 8.230 nan 0.000 0.449 55 I N -0.603 119.944 120.570 -0.038 0.000 2.252 55 I HA -0.268 3.902 4.170 -0.001 0.000 0.245 55 I C 1.786 177.888 176.117 -0.025 0.000 1.102 55 I CA 1.018 62.300 61.300 -0.030 0.000 1.385 55 I CB -0.173 37.808 38.000 -0.031 0.000 1.064 55 I HN 0.312 nan 8.210 nan 0.000 0.414 56 N N 0.694 119.378 118.700 -0.026 0.000 2.331 56 N HA -0.029 4.711 4.740 -0.001 0.000 0.180 56 N C 1.808 177.307 175.510 -0.019 0.000 1.019 56 N CA 0.953 53.990 53.050 -0.021 0.000 0.881 56 N CB -0.160 38.315 38.487 -0.020 0.000 0.972 56 N HN 0.292 nan 8.380 nan 0.000 0.435 57 I N -0.194 120.364 120.570 -0.021 0.000 2.286 57 I HA -0.305 3.864 4.170 -0.001 0.000 0.248 57 I C 1.683 177.791 176.117 -0.016 0.000 1.115 57 I CA 0.739 62.028 61.300 -0.019 0.000 1.392 57 I CB -0.289 37.699 38.000 -0.021 0.000 1.065 57 I HN 0.231 nan 8.210 nan 0.000 0.418 58 C N 0.007 119.296 119.300 -0.018 0.000 2.429 58 C HA -0.126 4.334 4.460 -0.001 0.000 0.277 58 C C 3.226 178.208 174.990 -0.013 0.000 1.262 58 C CA 1.198 60.207 59.018 -0.015 0.000 1.733 58 C CB -0.779 26.951 27.740 -0.017 0.000 2.010 58 C HN 0.490 nan 8.230 nan 0.000 0.483 59 S N 0.450 116.142 115.700 -0.014 0.000 2.345 59 S HA -0.137 4.333 4.470 -0.001 0.000 0.219 59 S C 1.842 176.436 174.600 -0.011 0.000 1.031 59 S CA 1.205 59.398 58.200 -0.012 0.000 0.984 59 S CB -0.236 62.956 63.200 -0.012 0.000 0.874 59 S HN 0.618 nan 8.310 nan 0.000 0.451 60 K N 1.525 121.918 120.400 -0.011 0.000 2.113 60 K HA -0.090 4.230 4.320 -0.001 0.000 0.208 60 K C 2.283 178.878 176.600 -0.009 0.000 1.047 60 K CA 1.287 57.568 56.287 -0.010 0.000 0.928 60 K CB -0.318 32.176 32.500 -0.010 0.000 0.716 60 K HN 0.337 nan 8.250 nan 0.000 0.446 61 A N 0.888 123.703 122.820 -0.009 0.000 1.873 61 A HA -0.114 4.206 4.320 -0.001 0.000 0.215 61 A C 2.392 179.972 177.584 -0.007 0.000 1.186 61 A CA 1.411 53.443 52.037 -0.008 0.000 0.616 61 A CB -0.705 18.290 19.000 -0.009 0.000 0.823 61 A HN 0.061 nan 8.150 nan 0.000 0.442 62 V N 0.230 120.140 119.914 -0.008 0.000 2.287 62 V HA -0.239 3.881 4.120 -0.001 0.000 0.248 62 V C 2.847 178.937 176.094 -0.006 0.000 1.053 62 V CA 2.096 64.392 62.300 -0.007 0.000 1.027 62 V CB -1.664 30.155 31.823 -0.007 0.000 0.646 62 V HN 0.616 nan 8.190 nan 0.000 0.447 63 G N -0.531 108.265 108.800 -0.007 0.000 2.469 63 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.220 63 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.220 63 G C 1.696 176.592 174.900 -0.006 0.000 1.136 63 G CA 1.200 46.297 45.100 -0.006 0.000 0.759 63 G HN 0.652 nan 8.290 nan 0.000 0.562 64 A N 0.176 122.992 122.820 -0.006 0.000 1.930 64 A HA 0.190 4.510 4.320 -0.001 0.000 0.215 64 A C 2.272 179.854 177.584 -0.005 0.000 1.176 64 A CA 1.765 53.799 52.037 -0.005 0.000 0.632 64 A CB -0.204 18.793 19.000 -0.005 0.000 0.819 64 A HN 0.352 nan 8.150 nan 0.000 0.445 65 K N -0.175 120.223 120.400 -0.005 0.000 2.001 65 K HA -0.052 4.267 4.320 -0.001 0.000 0.208 65 K C 1.915 178.513 176.600 -0.004 0.000 1.048 65 K CA 1.271 57.555 56.287 -0.004 0.000 0.932 65 K CB -0.062 32.435 32.500 -0.005 0.000 0.715 65 K HN 0.110 nan 8.250 nan 0.000 0.437 66 K N 0.998 121.395 120.400 -0.004 0.000 2.211 66 K HA -0.125 4.195 4.320 -0.001 0.000 0.203 66 K C 1.923 178.520 176.600 -0.004 0.000 1.050 66 K CA 0.957 57.241 56.287 -0.004 0.000 0.945 66 K CB -0.007 32.490 32.500 -0.004 0.000 0.732 66 K HN -0.049 nan 8.250 nan 0.000 0.451 67 K N 1.526 121.924 120.400 -0.004 0.000 2.063 67 K HA -0.076 4.244 4.320 -0.001 0.000 0.208 67 K C 1.574 178.172 176.600 -0.003 0.000 1.048 67 K CA 1.706 57.991 56.287 -0.004 0.000 0.928 67 K CB -0.394 32.103 32.500 -0.004 0.000 0.713 67 K HN 0.046 nan 8.250 nan 0.000 0.442 68 A N -0.020 122.798 122.820 -0.003 0.000 2.238 68 A HA 0.162 4.482 4.320 -0.001 0.000 0.208 68 A C 0.240 177.822 177.584 -0.003 0.000 1.177 68 A CA 0.759 52.794 52.037 -0.003 0.000 0.804 68 A CB -0.406 18.592 19.000 -0.003 0.000 0.823 68 A HN 0.394 nan 8.150 nan 0.000 0.482 69 K N 0.351 120.750 120.400 -0.003 0.000 3.353 69 K HA -0.134 4.186 4.320 -0.001 0.000 0.272 69 K C -1.019 175.579 176.600 -0.003 0.000 1.071 69 K CA 1.027 57.312 56.287 -0.003 0.000 0.789 69 K CB -2.179 30.319 32.500 -0.003 0.000 1.325 69 K HN 0.717 nan 8.250 nan 0.000 0.464 70 E N 0.365 120.563 120.200 -0.003 0.000 2.199 70 E HA 0.626 4.976 4.350 -0.001 0.000 0.269 70 E C 0.175 176.774 176.600 -0.003 0.000 0.899 70 E CA -0.491 55.907 56.400 -0.003 0.000 0.772 70 E CB 1.563 31.261 29.700 -0.003 0.000 1.155 70 E HN 0.439 nan 8.360 nan 0.000 0.408 102 L N 0.973 122.193 121.223 -0.005 0.000 2.131 102 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 102 L C 2.435 179.301 176.870 -0.006 0.000 1.092 102 L CA 2.199 57.036 54.840 -0.005 0.000 0.759 102 L CB -0.512 41.545 42.059 -0.004 0.000 0.903 102 L HN 0.450 nan 8.230 nan 0.000 0.435 103 Q N -0.404 119.392 119.800 -0.006 0.000 2.046 103 Q HA -0.149 4.190 4.340 -0.001 0.000 0.200 103 Q C 2.387 178.382 176.000 -0.008 0.000 0.975 103 Q CA 1.250 57.050 55.803 -0.006 0.000 0.836 103 Q CB -0.247 28.488 28.738 -0.006 0.000 0.896 103 Q HN 0.495 nan 8.270 nan 0.000 0.428 104 L N 0.726 121.945 121.223 -0.008 0.000 2.127 104 L HA -0.217 4.122 4.340 -0.001 0.000 0.211 104 L C 2.314 179.178 176.870 -0.010 0.000 1.089 104 L CA 1.241 56.076 54.840 -0.009 0.000 0.757 104 L CB -0.338 41.716 42.059 -0.009 0.000 0.899 104 L HN 0.146 nan 8.230 nan 0.000 0.434 105 K N -0.459 119.936 120.400 -0.009 0.000 2.025 105 K HA -0.213 4.107 4.320 -0.001 0.000 0.207 105 K C 2.201 178.796 176.600 -0.009 0.000 1.049 105 K CA 1.222 57.504 56.287 -0.009 0.000 0.933 105 K CB -0.094 32.402 32.500 -0.007 0.000 0.714 105 K HN 0.077 nan 8.250 nan 0.000 0.438 106 Q N 1.292 121.087 119.800 -0.008 0.000 2.084 106 Q HA -0.139 4.200 4.340 -0.001 0.000 0.202 106 Q C 1.910 177.904 176.000 -0.010 0.000 0.978 106 Q CA 1.224 57.022 55.803 -0.008 0.000 0.844 106 Q CB -0.252 28.481 28.738 -0.007 0.000 0.898 106 Q HN 0.180 nan 8.270 nan 0.000 0.426 107 L N -0.211 121.005 121.223 -0.011 0.000 2.083 107 L HA -0.097 4.243 4.340 -0.001 0.000 0.209 107 L C 2.144 179.005 176.870 -0.016 0.000 1.083 107 L CA 1.870 56.702 54.840 -0.013 0.000 0.752 107 L CB -0.916 41.135 42.059 -0.013 0.000 0.899 107 L HN 0.150 nan 8.230 nan 0.000 0.433 108 S N -0.678 115.013 115.700 -0.015 0.000 2.370 108 S HA -0.233 4.237 4.470 -0.001 0.000 0.226 108 S C 2.028 176.618 174.600 -0.016 0.000 1.033 108 S CA 1.601 59.791 58.200 -0.017 0.000 1.011 108 S CB -0.183 63.008 63.200 -0.015 0.000 0.852 108 S HN 0.411 nan 8.310 nan 0.000 0.457 109 K N 0.529 120.921 120.400 -0.013 0.000 2.026 109 K HA -0.112 4.207 4.320 -0.001 0.000 0.208 109 K C 1.576 178.168 176.600 -0.013 0.000 1.048 109 K CA 1.647 57.927 56.287 -0.012 0.000 0.929 109 K CB -0.081 32.413 32.500 -0.010 0.000 0.713 109 K HN 0.207 nan 8.250 nan 0.000 0.439 110 D N 0.545 120.937 120.400 -0.014 0.000 2.123 110 D HA -0.118 4.522 4.640 -0.001 0.000 0.200 110 D C 1.854 178.143 176.300 -0.018 0.000 0.976 110 D CA 0.863 54.855 54.000 -0.014 0.000 0.831 110 D CB -0.150 40.642 40.800 -0.012 0.000 0.974 110 D HN 0.138 nan 8.370 nan 0.000 0.469 111 L N 0.555 121.765 121.223 -0.022 0.000 2.079 111 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 111 L C 2.341 179.194 176.870 -0.029 0.000 1.081 111 L CA 0.953 55.776 54.840 -0.028 0.000 0.752 111 L CB -0.334 41.706 42.059 -0.032 0.000 0.896 111 L HN -0.041 nan 8.230 nan 0.000 0.433 112 S N -0.634 115.052 115.700 -0.024 0.000 2.406 112 S HA -0.143 4.327 4.470 -0.001 0.000 0.228 112 S C 1.459 176.048 174.600 -0.019 0.000 1.020 112 S CA 1.015 59.202 58.200 -0.022 0.000 0.965 112 S CB -0.200 62.989 63.200 -0.018 0.000 0.798 112 S HN 0.434 nan 8.310 nan 0.000 0.488 113 D N 1.345 121.735 120.400 -0.017 0.000 2.097 113 D HA -0.118 4.522 4.640 -0.001 0.000 0.197 113 D C 2.031 178.321 176.300 -0.016 0.000 0.984 113 D CA 0.873 54.865 54.000 -0.014 0.000 0.826 113 D CB -0.471 40.322 40.800 -0.012 0.000 0.973 113 D HN 0.382 nan 8.370 nan 0.000 0.460 114 Q N 0.642 120.430 119.800 -0.020 0.000 2.096 114 Q HA -0.130 4.210 4.340 -0.001 0.000 0.204 114 Q C 2.136 178.118 176.000 -0.030 0.000 0.982 114 Q CA 1.056 56.845 55.803 -0.024 0.000 0.850 114 Q CB 0.077 28.799 28.738 -0.028 0.000 0.901 114 Q HN 0.102 nan 8.270 nan 0.000 0.422 115 V N 0.912 120.805 119.914 -0.034 0.000 2.343 115 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 115 V C 2.377 178.453 176.094 -0.029 0.000 1.051 115 V CA 1.767 64.043 62.300 -0.040 0.000 1.036 115 V CB -0.947 30.851 31.823 -0.041 0.000 0.654 115 V HN 0.487 nan 8.190 nan 0.000 0.451 116 A N 0.313 123.121 122.820 -0.020 0.000 1.930 116 A HA -0.059 4.261 4.320 -0.001 0.000 0.217 116 A C 2.391 179.969 177.584 -0.010 0.000 1.175 116 A CA 1.832 53.862 52.037 -0.012 0.000 0.627 116 A CB -1.066 17.929 19.000 -0.009 0.000 0.815 116 A HN 0.524 nan 8.150 nan 0.000 0.443 117 G N -0.222 108.570 108.800 -0.012 0.000 2.402 117 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.216 117 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.216 117 G C 1.517 176.411 174.900 -0.011 0.000 1.162 117 G CA 0.938 46.033 45.100 -0.009 0.000 0.777 117 G HN 0.422 nan 8.290 nan 0.000 0.539 118 L N 0.666 121.876 121.223 -0.023 0.000 2.191 118 L HA -0.015 4.325 4.340 -0.001 0.000 0.212 118 L C 3.296 180.147 176.870 -0.032 0.000 1.103 118 L CA 0.836 55.655 54.840 -0.035 0.000 0.769 118 L CB -0.206 41.819 42.059 -0.058 0.000 0.908 118 L HN 0.317 nan 8.230 nan 0.000 0.438 119 A N -0.258 122.550 122.820 -0.019 0.000 1.929 119 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 119 A C 2.387 179.985 177.584 0.023 0.000 1.176 119 A CA 1.409 53.445 52.037 -0.001 0.000 0.628 119 A CB -0.286 18.715 19.000 0.002 0.000 0.816 119 A HN 0.270 nan 8.150 nan 0.000 0.444 120 K N -0.104 120.306 120.400 0.016 0.000 2.057 120 K HA -0.168 4.152 4.320 -0.001 0.000 0.206 120 K C 1.907 178.527 176.600 0.033 0.000 1.050 120 K CA 1.603 57.904 56.287 0.023 0.000 0.935 120 K CB -0.148 32.360 32.500 0.014 0.000 0.715 120 K HN 0.619 nan 8.250 nan 0.000 0.439 121 E N 0.029 120.245 120.200 0.027 0.000 2.031 121 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 121 E C 2.000 178.645 176.600 0.075 0.000 0.994 121 E CA 1.173 57.596 56.400 0.038 0.000 0.800 121 E CB -0.176 29.536 29.700 0.021 0.000 0.752 121 E HN 0.405 nan 8.360 nan 0.000 0.447 122 A N 1.085 123.944 122.820 0.064 0.000 1.917 122 A HA -0.328 3.991 4.320 -0.001 0.000 0.219 122 A C 2.083 179.829 177.584 0.269 0.000 1.182 122 A CA 1.913 54.037 52.037 0.146 0.000 0.633 122 A CB -0.619 18.386 19.000 0.008 0.000 0.819 122 A HN 0.205 nan 8.150 nan 0.000 0.448 123 Q N -1.483 118.410 119.800 0.156 0.000 2.124 123 Q HA -0.180 4.160 4.340 -0.001 0.000 0.202 123 Q C 2.387 178.440 176.000 0.088 0.000 0.977 123 Q CA 1.441 57.317 55.803 0.122 0.000 0.850 123 Q CB -0.071 28.711 28.738 0.074 0.000 0.901 123 Q HN 0.604 nan 8.270 nan 0.000 0.429 124 Q N -0.002 119.845 119.800 0.079 0.000 2.079 124 Q HA -0.096 4.244 4.340 -0.001 0.000 0.200 124 Q C 2.117 178.150 176.000 0.055 0.000 0.974 124 Q CA 1.080 56.914 55.803 0.052 0.000 0.840 124 Q CB -0.101 28.662 28.738 0.042 0.000 0.898 124 Q HN 0.426 nan 8.270 nan 0.000 0.430 125 L N 0.433 121.717 121.223 0.103 0.000 2.083 125 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 125 L C 2.214 179.102 176.870 0.031 0.000 1.083 125 L CA 1.141 56.046 54.840 0.107 0.000 0.752 125 L CB -0.357 41.833 42.059 0.217 0.000 0.899 125 L HN 0.219 nan 8.230 nan 0.000 0.433 126 E N 0.086 120.299 120.200 0.022 0.000 2.077 126 E HA -0.239 4.111 4.350 -0.001 0.000 0.193 126 E C 2.098 178.631 176.600 -0.111 0.000 0.989 126 E CA 1.239 57.548 56.400 -0.151 0.000 0.800 126 E CB -0.041 29.580 29.700 -0.131 0.000 0.746 126 E HN 0.507 nan 8.360 nan 0.000 0.452 127 E N 0.759 120.931 120.200 -0.048 0.000 2.077 127 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 127 E C 2.014 178.583 176.600 -0.051 0.000 0.989 127 E CA 0.994 57.367 56.400 -0.046 0.000 0.800 127 E CB 0.042 29.730 29.700 -0.021 0.000 0.746 127 E HN 0.263 nan 8.360 nan 0.000 0.452 128 E N 0.419 120.597 120.200 -0.038 0.000 2.051 128 E HA -0.201 4.149 4.350 -0.001 0.000 0.192 128 E C 2.172 178.733 176.600 -0.065 0.000 0.991 128 E CA 0.729 57.107 56.400 -0.036 0.000 0.799 128 E CB -0.038 29.652 29.700 -0.015 0.000 0.748 128 E HN 0.079 nan 8.360 nan 0.000 0.449 129 R N 0.932 121.374 120.500 -0.097 0.000 2.082 129 R HA -0.195 4.145 4.340 -0.001 0.000 0.234 129 R C 1.608 177.808 176.300 -0.168 0.000 1.136 129 R CA 2.166 58.172 56.100 -0.157 0.000 0.935 129 R CB -0.120 30.044 30.300 -0.226 0.000 0.842 129 R HN 0.098 nan 8.270 nan 0.000 0.430 130 D N 0.169 120.473 120.400 -0.161 0.000 2.178 130 D HA -0.160 4.480 4.640 -0.001 0.000 0.201 130 D C 1.725 177.971 176.300 -0.090 0.000 0.980 130 D CA 1.143 55.058 54.000 -0.143 0.000 0.842 130 D CB -0.152 40.567 40.800 -0.136 0.000 0.948 130 D HN 0.227 nan 8.370 nan 0.000 0.472 131 K N 0.816 121.174 120.400 -0.070 0.000 2.009 131 K HA -0.105 4.214 4.320 -0.001 0.000 0.210 131 K C 2.179 178.759 176.600 -0.033 0.000 1.049 131 K CA 0.887 57.149 56.287 -0.041 0.000 0.929 131 K CB -0.352 32.128 32.500 -0.034 0.000 0.714 131 K HN 0.053 nan 8.250 nan 0.000 0.440 132 L N 0.246 121.441 121.223 -0.046 0.000 2.043 132 L HA -0.235 4.105 4.340 -0.001 0.000 0.212 132 L C 2.586 179.441 176.870 -0.024 0.000 1.075 132 L CA 1.646 56.465 54.840 -0.035 0.000 0.752 132 L CB -0.427 41.600 42.059 -0.053 0.000 0.891 132 L HN 0.336 nan 8.230 nan 0.000 0.432 133 M N -0.747 118.817 119.600 -0.059 0.000 2.358 133 M HA -0.186 4.293 4.480 -0.001 0.000 0.264 133 M C 2.122 178.445 176.300 0.038 0.000 1.064 133 M CA 1.293 56.577 55.300 -0.026 0.000 1.093 133 M CB -0.329 32.207 32.600 -0.107 0.000 1.401 133 M HN 0.260 nan 8.290 nan 0.000 0.440 134 L N 0.036 121.274 121.223 0.025 0.000 2.263 134 L HA -0.226 4.114 4.340 -0.001 0.000 0.216 134 L C 0.862 177.776 176.870 0.073 0.000 1.111 134 L CA 1.239 56.111 54.840 0.053 0.000 0.773 134 L CB -0.713 41.366 42.059 0.034 0.000 0.906 134 L HN 0.449 nan 8.230 nan 0.000 0.439 135 N N -1.652 117.088 118.700 0.066 0.000 2.238 135 N HA 0.112 4.852 4.740 -0.001 0.000 0.222 135 N C -0.694 174.870 175.510 0.090 0.000 1.133 135 N CA -0.225 52.866 53.050 0.069 0.000 0.854 135 N CB 1.022 39.541 38.487 0.053 0.000 1.041 135 N HN -0.052 nan 8.380 nan 0.000 0.510 136 V N 1.072 121.062 119.914 0.127 0.000 2.328 136 V HA 0.510 4.630 4.120 -0.001 0.000 0.278 136 V C 0.916 177.119 176.094 0.182 0.000 1.021 136 V CA -0.986 61.412 62.300 0.164 0.000 0.838 136 V CB 0.913 32.892 31.823 0.261 0.000 0.999 136 V HN 0.155 nan 8.190 nan 0.000 0.447 137 G N 3.005 111.868 108.800 0.104 0.000 2.537 137 G HA2 0.205 4.165 3.960 -0.001 0.000 0.273 137 G HA3 0.205 4.165 3.960 -0.001 0.000 0.273 137 G C 0.027 174.962 174.900 0.058 0.000 1.189 137 G CA -0.437 44.685 45.100 0.038 0.000 0.881 137 G HN 0.608 nan 8.290 nan 0.000 0.535 138 N N -0.475 118.178 118.700 -0.078 0.000 2.416 138 N HA -0.040 4.699 4.740 -0.001 0.000 0.246 138 N C 0.636 176.146 175.510 0.000 0.000 1.260 138 N CA -0.511 52.533 53.050 -0.010 0.000 0.897 138 N CB 0.285 38.673 38.487 -0.164 0.000 1.110 138 N HN 0.097 nan 8.380 nan 0.000 0.439 139 I N 3.562 124.148 120.570 0.027 0.000 2.662 139 I HA -0.039 4.130 4.170 -0.001 0.000 0.285 139 I C 0.777 176.911 176.117 0.029 0.000 1.161 139 I CA 0.089 61.394 61.300 0.009 0.000 1.415 139 I CB -0.944 37.061 38.000 0.009 0.000 1.385 139 I HN 0.338 nan 8.210 nan 0.000 0.552 140 L N 6.376 127.598 121.223 -0.003 0.000 2.485 140 L HA 0.060 4.400 4.340 -0.001 0.000 0.275 140 L C 1.193 178.059 176.870 -0.006 0.000 1.207 140 L CA 0.027 54.871 54.840 0.007 0.000 0.855 140 L CB 0.025 42.065 42.059 -0.031 0.000 1.114 140 L HN 0.549 nan 8.230 nan 0.000 0.485 141 H N 2.258 121.267 119.070 -0.101 0.000 2.771 141 H HA -0.029 4.527 4.556 -0.001 0.000 0.364 141 H C 0.399 175.588 175.328 -0.231 0.000 1.133 141 H CA -0.177 55.697 56.048 -0.290 0.000 1.423 141 H CB 1.231 30.677 29.762 -0.526 0.000 1.425 141 H HN 0.631 nan 8.280 nan 0.000 0.606 142 E N 1.109 120.836 120.200 -0.789 0.000 2.338 142 E HA -0.124 4.225 4.350 -0.001 0.000 0.197 142 E C 1.746 178.185 176.600 -0.268 0.000 1.007 142 E CA 1.133 57.253 56.400 -0.467 0.000 0.849 142 E CB 0.188 29.589 29.700 -0.498 0.000 0.774 142 E HN 0.549 nan 8.360 nan 0.000 0.506 143 S N -0.627 114.987 115.700 -0.143 0.000 2.575 143 S HA 0.105 4.575 4.470 -0.001 0.000 0.215 143 S C 0.690 175.304 174.600 0.022 0.000 0.966 143 S CA -0.506 57.709 58.200 0.023 0.000 0.911 143 S CB 0.038 63.326 63.200 0.147 0.000 0.780 143 S HN -0.077 nan 8.310 nan 0.000 0.514 144 V N 4.201 124.117 119.914 0.003 0.000 2.585 144 V HA 0.252 4.371 4.120 -0.001 0.000 0.296 144 V C -2.150 173.944 176.094 -0.001 0.000 1.035 144 V CA -1.548 60.748 62.300 -0.006 0.000 1.084 144 V CB 0.150 31.970 31.823 -0.006 0.000 0.953 144 V HN 0.304 nan 8.190 nan 0.000 0.483 145 P HA 0.191 nan 4.420 nan 0.000 0.268 145 P C -0.644 176.688 177.300 0.053 0.000 1.205 145 P CA -0.212 62.904 63.100 0.026 0.000 0.771 145 P CB 0.363 32.081 31.700 0.029 0.000 0.858 146 I N 2.386 122.997 120.570 0.068 0.000 2.307 146 I HA 0.598 4.767 4.170 -0.001 0.000 0.287 146 I C 0.431 176.692 176.117 0.239 0.000 1.054 146 I CA -0.482 60.900 61.300 0.137 0.000 1.218 146 I CB -0.479 37.551 38.000 0.050 0.000 1.398 146 I HN 0.394 nan 8.210 nan 0.000 0.475 147 A N 5.694 128.697 122.820 0.305 0.000 2.597 147 A HA 0.543 4.862 4.320 -0.001 0.000 0.292 147 A C 0.012 177.554 177.584 -0.070 0.000 1.057 147 A CA -0.449 51.659 52.037 0.118 0.000 0.674 147 A CB 1.580 20.603 19.000 0.039 0.000 1.278 147 A HN 0.538 nan 8.150 nan 0.000 0.416 148 Q N -0.414 119.171 119.800 -0.357 0.000 2.394 148 Q HA 0.051 4.390 4.340 -0.001 0.000 0.218 148 Q C -0.567 175.316 176.000 -0.195 0.000 0.907 148 Q CA 0.627 56.174 55.803 -0.427 0.000 0.919 148 Q CB 0.487 28.838 28.738 -0.645 0.000 1.051 148 Q HN 0.742 nan 8.270 nan 0.000 0.538 149 D N 0.987 121.301 120.400 -0.143 0.000 2.412 149 D HA 0.061 4.701 4.640 -0.001 0.000 0.224 149 D C 0.514 176.787 176.300 -0.045 0.000 1.093 149 D CA 0.032 53.982 54.000 -0.083 0.000 0.850 149 D CB 0.980 41.736 40.800 -0.074 0.000 1.046 149 D HN -0.029 nan 8.370 nan 0.000 0.507 150 E N 2.395 122.577 120.200 -0.030 0.000 2.097 150 E HA -0.269 4.081 4.350 -0.001 0.000 0.196 150 E C 1.223 177.823 176.600 -0.001 0.000 1.000 150 E CA 0.962 57.357 56.400 -0.009 0.000 0.804 150 E CB 0.238 29.937 29.700 -0.002 0.000 0.740 150 E HN 0.681 nan 8.360 nan 0.000 0.454 151 E N -0.620 119.579 120.200 -0.002 0.000 2.114 151 E HA -0.221 4.129 4.350 -0.001 0.000 0.199 151 E C 1.887 178.493 176.600 0.011 0.000 1.008 151 E CA 2.038 58.444 56.400 0.009 0.000 0.810 151 E CB 0.099 29.801 29.700 0.004 0.000 0.739 151 E HN 0.350 nan 8.360 nan 0.000 0.456 152 T N -5.102 109.452 114.554 0.000 0.000 2.959 152 T HA 0.214 4.563 4.350 -0.001 0.000 0.254 152 T C 1.591 176.291 174.700 0.000 0.000 1.003 152 T CA 0.300 62.401 62.100 0.002 0.000 0.950 152 T CB 0.828 69.695 68.868 -0.002 0.000 1.090 152 T HN 0.114 nan 8.240 nan 0.000 0.503 153 G N 1.684 110.482 108.800 -0.004 0.000 2.683 153 G HA2 0.117 4.077 3.960 -0.001 0.000 0.213 153 G HA3 0.117 4.077 3.960 -0.001 0.000 0.213 153 G C 0.490 175.396 174.900 0.011 0.000 1.142 153 G CA -0.409 44.692 45.100 0.002 0.000 0.793 153 G HN 0.398 nan 8.290 nan 0.000 0.534 154 N N 0.989 119.694 118.700 0.009 0.000 2.479 154 N HA 0.200 4.939 4.740 -0.001 0.000 0.257 154 N C -0.400 175.118 175.510 0.013 0.000 1.232 154 N CA 0.498 53.556 53.050 0.014 0.000 0.920 154 N CB 0.907 39.402 38.487 0.014 0.000 1.105 154 N HN -0.145 nan 8.380 nan 0.000 0.444 155 T N 0.944 115.512 114.554 0.024 0.000 2.794 155 T HA 0.299 4.649 4.350 -0.001 0.000 0.280 155 T C 0.136 174.855 174.700 0.031 0.000 0.987 155 T CA -0.592 61.523 62.100 0.025 0.000 0.993 155 T CB 1.058 69.947 68.868 0.034 0.000 0.939 155 T HN 0.051 nan 8.240 nan 0.000 0.449 156 V N 5.077 124.995 119.914 0.007 0.000 2.455 156 V HA 0.092 4.212 4.120 -0.001 0.000 0.273 156 V C 1.199 177.309 176.094 0.026 0.000 1.045 156 V CA 0.052 62.351 62.300 -0.002 0.000 0.976 156 V CB 1.062 32.854 31.823 -0.052 0.000 0.993 156 V HN 0.824 nan 8.190 nan 0.000 0.475 157 V N 5.134 125.080 119.914 0.052 0.000 2.575 157 V HA 0.221 4.341 4.120 -0.001 0.000 0.242 157 V C 0.924 177.040 176.094 0.036 0.000 1.045 157 V CA 1.124 63.460 62.300 0.060 0.000 1.065 157 V CB -0.133 31.742 31.823 0.086 0.000 0.717 157 V HN 0.837 nan 8.190 nan 0.000 0.467 158 R N -0.804 119.721 120.500 0.042 0.000 2.663 158 R HA 0.530 4.869 4.340 -0.001 0.000 0.267 158 R C -1.144 175.191 176.300 0.058 0.000 1.038 158 R CA -0.095 56.035 56.100 0.050 0.000 0.886 158 R CB 2.365 32.710 30.300 0.075 0.000 1.249 158 R HN 0.351 nan 8.270 nan 0.000 0.463 159 T N -1.484 113.082 114.554 0.020 0.000 2.896 159 T HA 0.718 5.068 4.350 -0.001 0.000 0.297 159 T C -1.184 173.456 174.700 -0.100 0.000 1.108 159 T CA -0.729 61.349 62.100 -0.037 0.000 1.004 159 T CB 1.821 70.658 68.868 -0.051 0.000 1.159 159 T HN 0.400 nan 8.240 nan 0.000 0.499 160 F N 0.825 120.476 119.950 -0.499 0.000 2.561 160 F HA 0.673 5.200 4.527 -0.001 0.000 0.313 160 F C 0.356 175.947 175.800 -0.349 0.000 1.126 160 F CA 0.891 58.580 58.000 -0.519 0.000 0.918 160 F CB 1.293 39.709 39.000 -0.972 0.000 1.199 160 F HN 1.400 nan 8.300 nan 0.000 0.444 161 G N 4.264 112.449 108.800 -1.026 0.000 2.660 161 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.215 161 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.215 161 G C -1.283 173.352 174.900 -0.442 0.000 1.345 161 G CA -0.558 43.988 45.100 -0.923 0.000 0.877 161 G HN 1.029 nan 8.290 nan 0.000 0.549 162 N N 0.987 119.489 118.700 -0.330 0.000 2.555 162 N HA 0.390 5.130 4.740 -0.001 0.000 0.244 162 N C 1.567 176.899 175.510 -0.297 0.000 1.114 162 N CA 0.681 53.578 53.050 -0.255 0.000 0.963 162 N CB 0.363 38.738 38.487 -0.186 0.000 1.276 162 N HN 0.965 nan 8.380 nan 0.000 0.510 163 T N -1.332 112.984 114.554 -0.396 0.000 3.219 163 T HA -0.015 4.335 4.350 -0.001 0.000 0.249 163 T C 1.124 174.964 174.700 -1.434 0.000 1.099 163 T CA 0.535 62.198 62.100 -0.727 0.000 0.988 163 T CB -0.420 68.297 68.868 -0.252 0.000 0.999 163 T HN 0.419 nan 8.240 nan 0.000 0.550 164 T N -2.303 111.760 114.554 -0.818 0.000 3.040 164 T HA 0.302 4.651 4.350 -0.001 0.000 0.266 164 T C 0.440 175.046 174.700 -0.156 0.000 1.005 164 T CA -0.646 61.094 62.100 -0.600 0.000 0.906 164 T CB -0.033 68.643 68.868 -0.320 0.000 1.082 164 T HN 0.373 nan 8.240 nan 0.000 0.531 165 K N 1.940 122.308 120.400 -0.052 0.000 2.527 165 K HA 0.072 4.391 4.320 -0.001 0.000 0.278 165 K C -0.409 176.376 176.600 0.309 0.000 0.981 165 K CA -0.014 56.354 56.287 0.134 0.000 1.009 165 K CB 0.411 32.984 32.500 0.121 0.000 0.895 165 K HN 0.076 nan 8.250 nan 0.000 0.493 166 R N 1.293 121.877 120.500 0.141 0.000 2.740 166 R HA 0.628 4.968 4.340 -0.001 0.000 0.282 166 R C -0.954 175.368 176.300 0.037 0.000 0.969 166 R CA -0.724 55.436 56.100 0.100 0.000 0.918 166 R CB 1.847 32.192 30.300 0.075 0.000 1.175 166 R HN 0.785 nan 8.270 nan 0.000 0.464 167 A N 1.118 123.943 122.820 0.008 0.000 2.569 167 A HA 0.437 4.757 4.320 -0.001 0.000 0.290 167 A C 0.474 178.054 177.584 -0.008 0.000 1.136 167 A CA -0.571 51.463 52.037 -0.004 0.000 0.710 167 A CB 1.715 20.706 19.000 -0.016 0.000 1.303 167 A HN 0.664 nan 8.150 nan 0.000 0.413 168 K N -0.316 120.086 120.400 0.002 0.000 2.020 168 K HA 0.215 4.535 4.320 -0.001 0.000 0.206 168 K C -0.150 176.443 176.600 -0.012 0.000 1.038 168 K CA 0.839 57.125 56.287 -0.001 0.000 0.947 168 K CB -0.196 32.312 32.500 0.012 0.000 0.744 168 K HN 0.620 nan 8.250 nan 0.000 0.442 169 L N 2.712 123.937 121.223 0.003 0.000 2.322 169 L HA 0.218 4.558 4.340 -0.001 0.000 0.279 169 L C -0.248 176.617 176.870 -0.010 0.000 1.036 169 L CA -1.299 53.533 54.840 -0.013 0.000 0.807 169 L CB 1.369 43.427 42.059 -0.003 0.000 1.226 169 L HN 0.367 nan 8.230 nan 0.000 0.433 170 N N 0.052 118.721 118.700 -0.052 0.000 2.381 170 N HA -0.026 4.714 4.740 -0.001 0.000 0.254 170 N C 0.789 176.276 175.510 -0.039 0.000 1.264 170 N CA 0.003 53.013 53.050 -0.066 0.000 0.942 170 N CB 0.256 38.643 38.487 -0.167 0.000 1.190 170 N HN 0.685 nan 8.380 nan 0.000 0.495 171 H N -1.452 117.648 119.070 0.051 0.000 2.387 171 H HA -0.075 4.481 4.556 -0.001 0.000 0.299 171 H C 1.342 176.702 175.328 0.053 0.000 1.099 171 H CA 1.673 57.769 56.048 0.079 0.000 1.315 171 H CB -0.606 29.243 29.762 0.146 0.000 1.380 171 H HN 0.205 nan 8.280 nan 0.000 0.513 172 V N 0.682 120.374 119.914 -0.372 0.000 2.261 172 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 172 V C 2.567 178.614 176.094 -0.077 0.000 1.047 172 V CA 2.020 64.213 62.300 -0.178 0.000 1.015 172 V CB -0.724 30.948 31.823 -0.252 0.000 0.642 172 V HN 0.533 nan 8.190 nan 0.000 0.446 173 S N -0.162 115.475 115.700 -0.104 0.000 2.370 173 S HA -0.140 4.330 4.470 -0.001 0.000 0.226 173 S C 1.868 176.432 174.600 -0.061 0.000 1.033 173 S CA 1.729 59.877 58.200 -0.087 0.000 1.011 173 S CB -0.371 62.769 63.200 -0.100 0.000 0.852 173 S HN 0.485 nan 8.310 nan 0.000 0.457 174 I N 1.304 121.886 120.570 0.019 0.000 2.142 174 I HA -0.226 3.943 4.170 -0.001 0.000 0.240 174 I C 2.404 178.626 176.117 0.174 0.000 1.078 174 I CA 1.358 62.748 61.300 0.150 0.000 1.343 174 I CB -0.327 37.807 38.000 0.224 0.000 1.046 174 I HN 0.283 nan 8.210 nan 0.000 0.405 175 M N -0.117 119.564 119.600 0.133 0.000 2.279 175 M HA -0.202 4.278 4.480 -0.001 0.000 0.264 175 M C 2.185 178.539 176.300 0.090 0.000 1.062 175 M CA 1.464 56.840 55.300 0.126 0.000 1.099 175 M CB -0.407 32.265 32.600 0.120 0.000 1.394 175 M HN 0.187 nan 8.290 nan 0.000 0.426 176 E N 1.218 121.444 120.200 0.043 0.000 2.047 176 E HA -0.151 4.199 4.350 -0.001 0.000 0.191 176 E C 1.823 178.423 176.600 0.000 0.000 0.987 176 E CA 1.652 58.060 56.400 0.013 0.000 0.799 176 E CB -0.100 29.587 29.700 -0.023 0.000 0.752 176 E HN 0.363 nan 8.360 nan 0.000 0.449 177 R N -0.124 120.341 120.500 -0.060 0.000 2.148 177 R HA 0.020 4.360 4.340 -0.001 0.000 0.227 177 R C 2.456 178.821 176.300 0.109 0.000 1.103 177 R CA 1.084 57.094 56.100 -0.150 0.000 0.983 177 R CB -0.315 29.593 30.300 -0.653 0.000 0.874 177 R HN 0.274 nan 8.270 nan 0.000 0.451 178 L N -0.460 120.916 121.223 0.254 0.000 2.217 178 L HA 0.009 4.349 4.340 -0.001 0.000 0.211 178 L C 1.347 178.308 176.870 0.151 0.000 1.107 178 L CA 0.927 55.935 54.840 0.280 0.000 0.783 178 L CB -0.248 41.944 42.059 0.221 0.000 0.919 178 L HN 0.475 nan 8.230 nan 0.000 0.442 179 G N -0.388 108.475 108.800 0.105 0.000 2.147 179 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.244 179 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.244 179 G C 0.593 175.538 174.900 0.075 0.000 1.005 179 G CA 0.563 45.708 45.100 0.075 0.000 0.713 179 G HN 0.374 nan 8.290 nan 0.000 0.515 180 M N -0.752 118.900 119.600 0.086 0.000 2.347 180 M HA 0.484 4.964 4.480 -0.001 0.000 0.302 180 M C 0.551 176.908 176.300 0.095 0.000 1.051 180 M CA 0.193 55.544 55.300 0.084 0.000 0.988 180 M CB 0.715 33.365 32.600 0.083 0.000 1.475 180 M HN 0.375 nan 8.290 nan 0.000 0.530 181 M N 0.723 120.381 119.600 0.097 0.000 2.326 181 M HA 0.403 4.883 4.480 -0.001 0.000 0.292 181 M C -2.154 174.209 176.300 0.105 0.000 1.081 181 M CA -0.416 54.953 55.300 0.115 0.000 0.919 181 M CB 2.297 34.962 32.600 0.108 0.000 1.634 181 M HN -0.180 nan 8.290 nan 0.000 0.451 182 D N 3.023 123.499 120.400 0.126 0.000 2.505 182 D HA 0.374 5.013 4.640 -0.001 0.000 0.250 182 D C -0.084 176.295 176.300 0.132 0.000 1.164 182 D CA 0.005 54.067 54.000 0.104 0.000 0.870 182 D CB 1.746 42.595 40.800 0.082 0.000 1.160 182 D HN 0.738 nan 8.370 nan 0.000 0.549 183 T N -0.310 114.311 114.554 0.112 0.000 3.182 183 T HA 0.227 4.577 4.350 -0.001 0.000 0.277 183 T C 0.897 175.650 174.700 0.087 0.000 1.013 183 T CA -0.344 61.829 62.100 0.121 0.000 0.900 183 T CB -0.206 68.727 68.868 0.108 0.000 1.098 183 T HN 0.233 nan 8.240 nan 0.000 0.543 184 S N 1.623 117.365 115.700 0.071 0.000 2.641 184 S HA 0.256 4.726 4.470 -0.001 0.000 0.261 184 S C 1.586 176.219 174.600 0.055 0.000 1.257 184 S CA -0.166 58.066 58.200 0.054 0.000 0.983 184 S CB 1.183 64.409 63.200 0.043 0.000 0.990 184 S HN 0.460 nan 8.310 nan 0.000 0.572 185 K N 0.388 120.815 120.400 0.044 0.000 2.152 185 K HA -0.031 4.289 4.320 -0.001 0.000 0.206 185 K C 1.975 178.599 176.600 0.040 0.000 1.048 185 K CA 1.692 58.004 56.287 0.042 0.000 0.933 185 K CB -1.038 31.482 32.500 0.034 0.000 0.721 185 K HN 0.658 nan 8.250 nan 0.000 0.447 186 A N 0.910 123.753 122.820 0.037 0.000 1.986 186 A HA -0.125 4.195 4.320 -0.001 0.000 0.220 186 A C 2.283 179.891 177.584 0.038 0.000 1.171 186 A CA 2.005 54.063 52.037 0.035 0.000 0.640 186 A CB -0.658 18.362 19.000 0.033 0.000 0.811 186 A HN 0.193 nan 8.150 nan 0.000 0.451 187 V N -0.435 119.508 119.914 0.049 0.000 2.492 187 V HA -0.117 4.003 4.120 -0.001 0.000 0.241 187 V C 2.822 178.952 176.094 0.060 0.000 1.041 187 V CA 2.063 64.395 62.300 0.054 0.000 1.057 187 V CB -0.944 30.922 31.823 0.071 0.000 0.711 187 V HN 0.783 nan 8.190 nan 0.000 0.468 188 T N -0.996 113.600 114.554 0.069 0.000 2.985 188 T HA -0.122 4.228 4.350 -0.001 0.000 0.266 188 T C 1.950 176.688 174.700 0.063 0.000 1.076 188 T CA 1.363 63.510 62.100 0.079 0.000 1.135 188 T CB -0.397 68.523 68.868 0.086 0.000 0.890 188 T HN 0.552 nan 8.240 nan 0.000 0.480 189 S N 1.105 116.834 115.700 0.049 0.000 2.447 189 S HA 0.068 4.538 4.470 -0.001 0.000 0.233 189 S C 2.105 176.726 174.600 0.034 0.000 1.006 189 S CA 0.529 58.753 58.200 0.040 0.000 0.957 189 S CB -0.650 62.570 63.200 0.033 0.000 0.773 189 S HN 0.463 nan 8.310 nan 0.000 0.507 190 M N 0.780 120.401 119.600 0.034 0.000 2.248 190 M HA 0.228 4.708 4.480 -0.001 0.000 0.265 190 M C 2.114 178.430 176.300 0.027 0.000 1.079 190 M CA 1.460 56.776 55.300 0.026 0.000 1.150 190 M CB -0.129 32.484 32.600 0.022 0.000 1.366 190 M HN 0.549 nan 8.290 nan 0.000 0.433 191 A N -0.347 122.497 122.820 0.039 0.000 2.551 191 A HA 0.542 4.862 4.320 -0.001 0.000 0.252 191 A C 0.840 178.468 177.584 0.072 0.000 1.199 191 A CA 0.368 52.431 52.037 0.042 0.000 0.972 191 A CB -0.002 19.020 19.000 0.036 0.000 1.153 191 A HN 0.526 nan 8.150 nan 0.000 0.559 192 G N -0.831 108.017 108.800 0.081 0.000 2.828 192 G HA2 0.312 4.271 3.960 -0.001 0.000 0.463 192 G HA3 0.312 4.271 3.960 -0.001 0.000 0.463 192 G C 0.494 175.491 174.900 0.161 0.000 1.394 192 G CA -0.284 44.880 45.100 0.107 0.000 0.862 192 G HN 1.578 nan 8.290 nan 0.000 0.540 193 G N -1.022 107.889 108.800 0.184 0.000 2.391 193 G HA2 0.492 4.451 3.960 -0.001 0.000 0.234 193 G HA3 0.492 4.451 3.960 -0.001 0.000 0.234 193 G C 0.967 176.043 174.900 0.293 0.000 1.284 193 G CA 0.944 46.172 45.100 0.213 0.000 0.873 193 G HN 1.740 nan 8.290 nan 0.000 0.549 194 R N -0.782 119.828 120.500 0.182 0.000 3.770 194 R HA -0.208 4.132 4.340 -0.001 0.000 0.305 194 R C 0.919 177.372 176.300 0.255 0.000 1.184 194 R CA 0.827 57.003 56.100 0.127 0.000 0.823 194 R CB -2.339 27.896 30.300 -0.110 0.000 1.285 194 R HN 0.849 nan 8.270 nan 0.000 0.499 195 S N 0.073 115.938 115.700 0.276 0.000 2.672 195 S HA 0.693 5.162 4.470 -0.001 0.000 0.276 195 S C -0.242 174.539 174.600 0.302 0.000 1.207 195 S CA -0.465 57.895 58.200 0.267 0.000 1.002 195 S CB 1.398 64.693 63.200 0.157 0.000 0.998 195 S HN 0.383 nan 8.310 nan 0.000 0.542 196 Y N -2.370 117.981 120.300 0.086 0.000 2.624 196 Y HA 0.752 5.301 4.550 -0.001 0.000 0.334 196 Y C -1.722 174.216 175.900 0.064 0.000 1.155 196 Y CA -1.556 56.586 58.100 0.070 0.000 1.046 196 Y CB 0.579 39.080 38.460 0.068 0.000 1.316 196 Y HN 0.507 nan 8.280 nan 0.000 0.457 197 V N 3.715 123.708 119.914 0.133 0.000 2.495 197 V HA 0.515 4.634 4.120 -0.001 0.000 0.298 197 V C -0.363 175.845 176.094 0.191 0.000 1.031 197 V CA -0.789 61.553 62.300 0.069 0.000 0.871 197 V CB 1.635 33.489 31.823 0.052 0.000 0.988 197 V HN 0.755 nan 8.190 nan 0.000 0.432 198 L N 4.832 126.159 121.223 0.173 0.000 2.331 198 L HA 0.675 5.014 4.340 -0.001 0.000 0.275 198 L C -0.162 176.768 176.870 0.101 0.000 1.022 198 L CA -0.635 54.306 54.840 0.169 0.000 0.812 198 L CB 1.804 43.983 42.059 0.200 0.000 1.257 198 L HN 0.564 nan 8.230 nan 0.000 0.435 199 K N 0.415 120.868 120.400 0.089 0.000 2.480 199 K HA 0.714 5.034 4.320 -0.001 0.000 0.258 199 K C 0.113 176.749 176.600 0.060 0.000 0.990 199 K CA -0.311 56.015 56.287 0.066 0.000 0.857 199 K CB 2.106 34.642 32.500 0.059 0.000 1.384 199 K HN 0.724 nan 8.250 nan 0.000 0.446 200 G N 0.632 109.461 108.800 0.048 0.000 2.574 200 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.286 200 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.286 200 G C 0.931 175.854 174.900 0.039 0.000 1.212 200 G CA 0.328 45.453 45.100 0.041 0.000 0.979 200 G HN 0.813 nan 8.290 nan 0.000 0.557 201 G N -0.335 108.485 108.800 0.034 0.000 2.475 201 G HA2 0.023 3.982 3.960 -0.001 0.000 0.220 201 G HA3 0.023 3.982 3.960 -0.001 0.000 0.220 201 G C 1.915 176.834 174.900 0.031 0.000 1.125 201 G CA 1.533 46.648 45.100 0.025 0.000 0.755 201 G HN 0.753 nan 8.290 nan 0.000 0.565 202 L N 0.148 121.399 121.223 0.047 0.000 2.156 202 L HA -0.018 4.322 4.340 -0.001 0.000 0.208 202 L C 2.887 179.794 176.870 0.061 0.000 1.095 202 L CA 0.145 55.018 54.840 0.055 0.000 0.770 202 L CB -0.230 41.873 42.059 0.073 0.000 0.914 202 L HN 0.091 nan 8.230 nan 0.000 0.439 203 V N -0.479 119.473 119.914 0.063 0.000 2.427 203 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 203 V C 2.390 178.516 176.094 0.052 0.000 1.051 203 V CA 1.544 63.882 62.300 0.063 0.000 1.048 203 V CB -0.561 31.297 31.823 0.059 0.000 0.666 203 V HN 0.488 nan 8.190 nan 0.000 0.456 204 Q N -0.580 119.246 119.800 0.043 0.000 2.084 204 Q HA -0.221 4.118 4.340 -0.001 0.000 0.202 204 Q C 2.301 178.325 176.000 0.039 0.000 0.978 204 Q CA 1.735 57.562 55.803 0.040 0.000 0.844 204 Q CB -0.339 28.417 28.738 0.029 0.000 0.898 204 Q HN 0.522 nan 8.270 nan 0.000 0.426 205 L N 1.153 122.393 121.223 0.028 0.000 2.017 205 L HA -0.256 4.084 4.340 -0.001 0.000 0.208 205 L C 2.484 179.371 176.870 0.029 0.000 1.073 205 L CA 2.025 56.873 54.840 0.015 0.000 0.745 205 L CB -0.754 41.306 42.059 0.001 0.000 0.894 205 L HN 0.252 nan 8.230 nan 0.000 0.432 206 Q N -0.905 118.921 119.800 0.044 0.000 2.077 206 Q HA -0.214 4.126 4.340 -0.001 0.000 0.206 206 Q C 2.002 178.037 176.000 0.058 0.000 0.989 206 Q CA 2.925 58.761 55.803 0.055 0.000 0.853 206 Q CB -0.243 28.538 28.738 0.072 0.000 0.907 206 Q HN 0.445 nan 8.270 nan 0.000 0.418 207 V N 1.130 121.081 119.914 0.062 0.000 2.427 207 V HA -0.215 3.904 4.120 -0.001 0.000 0.248 207 V C 2.459 178.605 176.094 0.087 0.000 1.051 207 V CA 1.529 63.873 62.300 0.072 0.000 1.048 207 V CB -1.048 30.817 31.823 0.071 0.000 0.666 207 V HN 0.543 nan 8.190 nan 0.000 0.456 208 A N -0.023 122.848 122.820 0.086 0.000 1.883 208 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 208 A C 2.220 179.820 177.584 0.027 0.000 1.186 208 A CA 1.921 54.019 52.037 0.102 0.000 0.624 208 A CB -0.551 18.497 19.000 0.079 0.000 0.822 208 A HN 0.497 nan 8.150 nan 0.000 0.444 209 L N -0.720 120.527 121.223 0.040 0.000 2.093 209 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 209 L C 2.544 179.456 176.870 0.070 0.000 1.085 209 L CA 0.905 55.794 54.840 0.081 0.000 0.755 209 L CB -0.458 41.653 42.059 0.086 0.000 0.904 209 L HN 0.251 nan 8.230 nan 0.000 0.435 210 V N -1.153 118.790 119.914 0.048 0.000 2.261 210 V HA -0.325 3.795 4.120 -0.001 0.000 0.246 210 V C 2.665 178.774 176.094 0.025 0.000 1.047 210 V CA 2.178 64.498 62.300 0.034 0.000 1.015 210 V CB -0.408 31.445 31.823 0.050 0.000 0.642 210 V HN 0.460 nan 8.190 nan 0.000 0.446 211 S N -1.453 114.275 115.700 0.047 0.000 2.368 211 S HA -0.221 4.249 4.470 -0.001 0.000 0.224 211 S C 2.027 176.590 174.600 -0.061 0.000 1.029 211 S CA 1.679 59.928 58.200 0.081 0.000 0.988 211 S CB -0.441 62.911 63.200 0.253 0.000 0.838 211 S HN 0.655 nan 8.310 nan 0.000 0.462 212 Y N 2.197 122.172 120.300 -0.541 0.000 2.181 212 Y HA -0.051 4.499 4.550 -0.001 0.000 0.288 212 Y C 2.530 178.365 175.900 -0.108 0.000 1.146 212 Y CA 1.764 59.433 58.100 -0.718 0.000 1.164 212 Y CB -0.903 37.061 38.460 -0.826 0.000 0.982 212 Y HN 0.265 nan 8.280 nan 0.000 0.515 213 S N 0.381 115.985 115.700 -0.160 0.000 2.356 213 S HA -0.190 4.280 4.470 -0.001 0.000 0.223 213 S C 1.928 176.429 174.600 -0.164 0.000 1.032 213 S CA 1.419 59.480 58.200 -0.231 0.000 1.005 213 S CB -0.817 62.244 63.200 -0.231 0.000 0.867 213 S HN 0.484 nan 8.310 nan 0.000 0.449 214 L N 2.391 123.567 121.223 -0.077 0.000 1.989 214 L HA -0.146 4.193 4.340 -0.001 0.000 0.211 214 L C 1.517 178.395 176.870 0.012 0.000 1.071 214 L CA 1.993 56.825 54.840 -0.014 0.000 0.749 214 L CB -0.883 41.197 42.059 0.036 0.000 0.890 214 L HN 0.101 nan 8.230 nan 0.000 0.431 215 D N -0.983 119.436 120.400 0.032 0.000 2.144 215 D HA -0.238 4.401 4.640 -0.001 0.000 0.199 215 D C 2.039 178.358 176.300 0.032 0.000 0.984 215 D CA 1.450 55.497 54.000 0.078 0.000 0.834 215 D CB -0.409 40.513 40.800 0.202 0.000 0.955 215 D HN 0.411 nan 8.370 nan 0.000 0.465 216 F N 0.936 120.747 119.950 -0.231 0.000 2.126 216 F HA -0.148 4.379 4.527 -0.001 0.000 0.299 216 F C 2.070 177.784 175.800 -0.142 0.000 1.096 216 F CA 1.246 59.102 58.000 -0.240 0.000 1.255 216 F CB 0.003 38.765 39.000 -0.396 0.000 0.997 216 F HN -0.086 nan 8.300 nan 0.000 0.479 217 L N -1.286 119.935 121.223 -0.003 0.000 2.131 217 L HA -0.135 4.205 4.340 -0.001 0.000 0.206 217 L C 2.314 179.221 176.870 0.062 0.000 1.087 217 L CA 0.463 55.246 54.840 -0.094 0.000 0.767 217 L CB -0.748 41.141 42.059 -0.283 0.000 0.917 217 L HN -0.048 nan 8.230 nan 0.000 0.441 218 V N 0.446 120.394 119.914 0.056 0.000 2.282 218 V HA -0.340 3.780 4.120 -0.001 0.000 0.249 218 V C 2.380 178.503 176.094 0.049 0.000 1.057 218 V CA 1.894 64.241 62.300 0.079 0.000 1.032 218 V CB -0.603 31.261 31.823 0.069 0.000 0.645 218 V HN 0.439 nan 8.190 nan 0.000 0.447 219 K N -0.428 119.969 120.400 -0.004 0.000 2.360 219 K HA -0.087 4.233 4.320 -0.001 0.000 0.201 219 K C 1.853 178.427 176.600 -0.044 0.000 1.046 219 K CA 0.932 57.196 56.287 -0.039 0.000 0.945 219 K CB -0.135 32.309 32.500 -0.092 0.000 0.750 219 K HN 0.412 nan 8.250 nan 0.000 0.464 220 R N -0.660 119.838 120.500 -0.003 0.000 2.468 220 R HA 0.084 4.423 4.340 -0.001 0.000 0.280 220 R C 0.487 176.851 176.300 0.107 0.000 0.963 220 R CA 0.331 56.461 56.100 0.050 0.000 1.083 220 R CB 1.021 31.369 30.300 0.080 0.000 1.200 220 R HN 0.290 nan 8.270 nan 0.000 0.541 221 G N 0.141 108.989 108.800 0.079 0.000 2.141 221 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.231 221 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.231 221 G C -0.354 174.515 174.900 -0.050 0.000 0.984 221 G CA -0.395 44.699 45.100 -0.011 0.000 0.660 221 G HN 0.225 nan 8.290 nan 0.000 0.525 222 Y N 1.096 121.376 120.300 -0.034 0.000 2.309 222 Y HA 0.535 5.085 4.550 -0.001 0.000 0.327 222 Y C 1.297 177.204 175.900 0.011 0.000 1.172 222 Y CA 0.177 58.263 58.100 -0.023 0.000 1.280 222 Y CB 1.184 39.650 38.460 0.010 0.000 1.234 222 Y HN 0.033 nan 8.280 nan 0.000 0.512 223 T N 6.352 120.993 114.554 0.145 0.000 2.728 223 T HA 0.255 4.604 4.350 -0.001 0.000 0.296 223 T C -2.497 172.391 174.700 0.313 0.000 0.940 223 T CA -1.515 60.696 62.100 0.184 0.000 1.013 223 T CB 0.627 69.582 68.868 0.145 0.000 0.912 223 T HN 0.263 nan 8.240 nan 0.000 0.484 224 P HA 0.190 nan 4.420 nan 0.000 0.266 224 P C -1.003 176.488 177.300 0.318 0.000 1.195 224 P CA -0.113 63.133 63.100 0.244 0.000 0.768 224 P CB 0.255 32.047 31.700 0.153 0.000 0.838 225 F N 4.033 124.068 119.950 0.141 0.000 2.617 225 F HA 0.397 4.923 4.527 -0.001 0.000 0.325 225 F C -1.636 174.208 175.800 0.074 0.000 1.179 225 F CA -0.919 57.119 58.000 0.062 0.000 0.965 225 F CB 1.025 40.014 39.000 -0.018 0.000 1.232 225 F HN 0.185 nan 8.300 nan 0.000 0.461 226 Y N 8.759 129.012 120.300 -0.078 0.000 2.402 226 Y HA 0.616 5.165 4.550 -0.001 0.000 0.332 226 Y C -2.541 173.301 175.900 -0.096 0.000 0.960 226 Y CA -2.309 55.790 58.100 -0.002 0.000 1.228 226 Y CB 0.866 39.297 38.460 -0.048 0.000 1.120 226 Y HN 0.431 nan 8.280 nan 0.000 0.491 227 P HA 0.431 nan 4.420 nan 0.000 0.283 227 P C -2.935 174.164 177.300 -0.335 0.000 1.278 227 P CA -2.171 60.838 63.100 -0.152 0.000 0.834 227 P CB 1.100 32.853 31.700 0.089 0.000 1.150 228 P HA 0.112 nan 4.420 nan 0.000 0.269 228 P C 0.104 177.413 177.300 0.015 0.000 1.209 228 P CA 0.102 63.069 63.100 -0.221 0.000 0.776 228 P CB 0.020 31.665 31.700 -0.092 0.000 0.876 229 F N -0.030 119.705 119.950 -0.358 0.000 2.765 229 F HA 0.270 4.796 4.527 -0.001 0.000 0.302 229 F C 0.397 176.149 175.800 -0.080 0.000 1.111 229 F CA -0.186 57.686 58.000 -0.213 0.000 1.359 229 F CB -0.714 38.175 39.000 -0.186 0.000 1.097 229 F HN 0.085 nan 8.300 nan 0.000 0.577 230 F N 0.580 120.614 119.950 0.141 0.000 2.508 230 F HA 0.634 5.160 4.527 -0.001 0.000 0.325 230 F C -0.145 175.711 175.800 0.093 0.000 1.090 230 F CA -1.994 56.054 58.000 0.081 0.000 0.945 230 F CB 1.243 40.261 39.000 0.030 0.000 1.156 230 F HN -0.387 nan 8.300 nan 0.000 0.463 231 L N 2.551 123.970 121.223 0.326 0.000 2.370 231 L HA 0.472 4.811 4.340 -0.001 0.000 0.266 231 L C -0.286 176.737 176.870 0.254 0.000 1.002 231 L CA -1.151 53.838 54.840 0.247 0.000 0.818 231 L CB 1.836 44.013 42.059 0.196 0.000 1.325 231 L HN 0.464 nan 8.230 nan 0.000 0.418 232 N N 0.971 119.788 118.700 0.195 0.000 2.416 232 N HA -0.011 4.729 4.740 -0.001 0.000 0.246 232 N C 0.803 176.478 175.510 0.274 0.000 1.260 232 N CA -0.165 52.992 53.050 0.179 0.000 0.897 232 N CB 0.850 39.409 38.487 0.119 0.000 1.110 232 N HN 0.509 nan 8.380 nan 0.000 0.439 233 R N 1.486 122.170 120.500 0.307 0.000 2.083 233 R HA -0.148 4.191 4.340 -0.001 0.000 0.237 233 R C 1.339 177.765 176.300 0.210 0.000 1.137 233 R CA 1.661 57.993 56.100 0.387 0.000 0.951 233 R CB -0.726 29.764 30.300 0.316 0.000 0.851 233 R HN 0.675 nan 8.270 nan 0.000 0.434 234 D N -0.603 119.878 120.400 0.134 0.000 2.106 234 D HA -0.150 4.490 4.640 -0.001 0.000 0.191 234 D C 1.651 178.014 176.300 0.105 0.000 0.997 234 D CA 2.085 56.138 54.000 0.088 0.000 0.834 234 D CB 0.142 40.982 40.800 0.067 0.000 0.956 234 D HN 0.210 nan 8.370 nan 0.000 0.448 235 V N 0.795 120.783 119.914 0.123 0.000 2.488 235 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 235 V C 2.431 178.601 176.094 0.127 0.000 1.046 235 V CA 1.269 63.637 62.300 0.113 0.000 1.053 235 V CB -0.357 31.533 31.823 0.111 0.000 0.679 235 V HN 0.207 nan 8.190 nan 0.000 0.458 236 M N 1.669 121.372 119.600 0.170 0.000 2.149 236 M HA -0.058 4.422 4.480 -0.001 0.000 0.261 236 M C 1.944 178.363 176.300 0.198 0.000 1.064 236 M CA 2.086 57.470 55.300 0.140 0.000 1.102 236 M CB -1.205 31.472 32.600 0.129 0.000 1.369 236 M HN 0.269 nan 8.290 nan 0.000 0.408 237 G N -0.695 108.299 108.800 0.323 0.000 2.470 237 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.220 237 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.220 237 G C 1.355 176.340 174.900 0.141 0.000 1.121 237 G CA 0.925 46.193 45.100 0.281 0.000 0.766 237 G HN 0.646 nan 8.290 nan 0.000 0.553 238 E N -0.322 119.937 120.200 0.097 0.000 2.299 238 E HA 0.019 4.368 4.350 -0.001 0.000 0.193 238 E C 2.266 178.899 176.600 0.055 0.000 0.998 238 E CA 0.949 57.383 56.400 0.055 0.000 0.851 238 E CB 0.250 29.980 29.700 0.050 0.000 0.795 238 E HN 0.514 nan 8.360 nan 0.000 0.492 239 V N -3.098 116.854 119.914 0.063 0.000 3.477 239 V HA 0.524 4.644 4.120 -0.001 0.000 0.297 239 V C 0.386 176.498 176.094 0.030 0.000 1.433 239 V CA -0.204 62.129 62.300 0.056 0.000 1.052 239 V CB 0.543 32.397 31.823 0.051 0.000 0.895 239 V HN 0.053 nan 8.190 nan 0.000 0.438 240 A N 0.102 122.926 122.820 0.006 0.000 2.386 240 A HA 0.747 5.067 4.320 -0.001 0.000 0.311 240 A C -0.437 177.157 177.584 0.016 0.000 1.068 240 A CA -0.711 51.282 52.037 -0.072 0.000 0.743 240 A CB 1.344 20.144 19.000 -0.334 0.000 1.258 240 A HN 0.440 nan 8.150 nan 0.000 0.429 241 Q N 0.632 120.442 119.800 0.016 0.000 2.352 241 Q HA 0.163 4.503 4.340 -0.001 0.000 0.260 241 Q C 0.698 176.763 176.000 0.109 0.000 0.976 241 Q CA -0.388 55.460 55.803 0.075 0.000 0.881 241 Q CB 0.888 29.659 28.738 0.056 0.000 1.235 241 Q HN 0.701 nan 8.270 nan 0.000 0.419 242 L N 2.344 123.667 121.223 0.167 0.000 2.265 242 L HA -0.197 4.143 4.340 -0.001 0.000 0.215 242 L C 2.008 178.994 176.870 0.193 0.000 1.117 242 L CA 1.931 56.919 54.840 0.245 0.000 0.782 242 L CB -0.400 41.731 42.059 0.120 0.000 0.914 242 L HN 0.793 nan 8.230 nan 0.000 0.441 243 S N -2.340 113.423 115.700 0.104 0.000 2.481 243 S HA -0.148 4.322 4.470 -0.001 0.000 0.231 243 S C 1.723 176.346 174.600 0.038 0.000 0.996 243 S CA 0.522 58.762 58.200 0.067 0.000 0.942 243 S CB -0.332 62.893 63.200 0.040 0.000 0.768 243 S HN 0.611 nan 8.310 nan 0.000 0.520 244 Q N -0.254 119.541 119.800 -0.008 0.000 2.187 244 Q HA 0.070 4.410 4.340 -0.001 0.000 0.199 244 Q C 1.469 177.367 176.000 -0.171 0.000 0.957 244 Q CA 1.015 56.750 55.803 -0.113 0.000 0.857 244 Q CB -0.318 28.298 28.738 -0.204 0.000 0.929 244 Q HN 0.628 nan 8.270 nan 0.000 0.453 245 F N 1.549 121.442 119.950 -0.096 0.000 2.095 245 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 245 F C 2.187 177.966 175.800 -0.036 0.000 1.104 245 F CA 1.363 59.289 58.000 -0.122 0.000 1.232 245 F CB -0.293 38.614 39.000 -0.155 0.000 0.987 245 F HN 0.095 nan 8.300 nan 0.000 0.475 246 D N 0.150 120.651 120.400 0.169 0.000 2.084 246 D HA -0.159 4.481 4.640 -0.001 0.000 0.194 246 D C 1.806 178.133 176.300 0.044 0.000 0.990 246 D CA 1.590 55.647 54.000 0.095 0.000 0.826 246 D CB -0.044 40.800 40.800 0.073 0.000 0.971 246 D HN 0.380 nan 8.370 nan 0.000 0.453 247 E N -0.985 119.227 120.200 0.020 0.000 2.447 247 E HA 0.074 4.423 4.350 -0.001 0.000 0.204 247 E C 1.465 178.052 176.600 -0.023 0.000 0.977 247 E CA 0.139 56.540 56.400 0.001 0.000 0.950 247 E CB 0.763 30.468 29.700 0.008 0.000 0.975 247 E HN 0.163 nan 8.360 nan 0.000 0.496 248 E N -0.246 119.929 120.200 -0.043 0.000 2.467 248 E HA 0.173 4.522 4.350 -0.001 0.000 0.213 248 E C 0.102 176.654 176.600 -0.080 0.000 0.823 248 E CA 0.130 56.501 56.400 -0.049 0.000 1.233 248 E CB 1.101 30.781 29.700 -0.034 0.000 1.233 248 E HN 0.132 nan 8.360 nan 0.000 0.585 249 L N 2.059 123.239 121.223 -0.073 0.000 2.272 249 L HA 0.353 4.692 4.340 -0.001 0.000 0.289 249 L C -0.488 176.441 176.870 0.098 0.000 1.032 249 L CA -0.820 54.037 54.840 0.029 0.000 0.810 249 L CB 0.585 42.615 42.059 -0.049 0.000 1.205 249 L HN -0.051 nan 8.230 nan 0.000 0.422 250 Y N 1.924 122.319 120.300 0.158 0.000 2.411 250 Y HA 0.117 4.667 4.550 -0.001 0.000 0.333 250 Y C 0.613 176.562 175.900 0.082 0.000 1.186 250 Y CA 0.177 58.333 58.100 0.092 0.000 1.381 250 Y CB 0.543 39.004 38.460 0.001 0.000 1.273 250 Y HN 0.514 nan 8.280 nan 0.000 0.546 251 Q N 1.931 121.801 119.800 0.117 0.000 2.241 251 Q HA 0.587 4.927 4.340 -0.001 0.000 0.254 251 Q C -1.531 174.369 176.000 -0.166 0.000 0.917 251 Q CA -0.670 55.005 55.803 -0.213 0.000 0.919 251 Q CB 1.223 29.823 28.738 -0.230 0.000 1.237 251 Q HN 0.538 nan 8.270 nan 0.000 0.434 252 V N 2.789 122.536 119.914 -0.278 0.000 2.604 252 V HA 0.564 4.683 4.120 -0.001 0.000 0.305 252 V C -0.416 175.494 176.094 -0.306 0.000 1.043 252 V CA -0.503 61.629 62.300 -0.281 0.000 0.888 252 V CB 1.668 33.244 31.823 -0.411 0.000 0.995 252 V HN 0.938 nan 8.190 nan 0.000 0.429 253 S N 2.123 117.681 115.700 -0.237 0.000 2.667 253 S HA 1.003 5.473 4.470 -0.001 0.000 0.292 253 S C 0.278 174.776 174.600 -0.171 0.000 1.126 253 S CA 0.160 58.241 58.200 -0.199 0.000 0.881 253 S CB 2.289 65.403 63.200 -0.143 0.000 1.132 253 S HN 1.810 nan 8.310 nan 0.000 0.492 254 G N 0.886 109.604 108.800 -0.137 0.000 3.246 254 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.196 254 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.196 254 G C -0.634 174.212 174.900 -0.090 0.000 2.019 254 G CA -0.055 44.986 45.100 -0.099 0.000 1.385 254 G HN 0.911 nan 8.290 nan 0.000 0.484 255 D N 1.940 122.275 120.400 -0.108 0.000 2.422 255 D HA 0.526 5.166 4.640 -0.001 0.000 0.227 255 D C 1.122 177.371 176.300 -0.085 0.000 1.190 255 D CA 2.078 56.030 54.000 -0.080 0.000 0.905 255 D CB 0.038 40.800 40.800 -0.063 0.000 1.034 255 D HN 1.419 nan 8.370 nan 0.000 0.507 256 G N 4.004 112.768 108.800 -0.061 0.000 2.527 256 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.268 256 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.268 256 G C -0.240 174.623 174.900 -0.062 0.000 1.175 256 G CA -0.208 44.863 45.100 -0.049 0.000 0.962 256 G HN 0.561 nan 8.290 nan 0.000 0.560 257 D N 1.592 121.961 120.400 -0.052 0.000 2.382 257 D HA 0.478 5.118 4.640 -0.001 0.000 0.240 257 D C 0.948 177.192 176.300 -0.094 0.000 1.146 257 D CA 0.152 54.121 54.000 -0.052 0.000 0.897 257 D CB 0.622 41.410 40.800 -0.020 0.000 1.197 257 D HN 0.539 nan 8.370 nan 0.000 0.432 258 K N 1.492 121.833 120.400 -0.098 0.000 2.382 258 K HA 0.203 4.522 4.320 -0.001 0.000 0.275 258 K C 0.051 176.548 176.600 -0.172 0.000 1.009 258 K CA 0.266 56.455 56.287 -0.164 0.000 0.970 258 K CB 0.610 33.011 32.500 -0.165 0.000 0.934 258 K HN 0.271 nan 8.250 nan 0.000 0.479 259 K N 1.465 121.692 120.400 -0.289 0.000 2.439 259 K HA 0.405 4.725 4.320 -0.001 0.000 0.260 259 K C -1.399 174.963 176.600 -0.396 0.000 1.032 259 K CA -0.905 55.261 56.287 -0.201 0.000 0.882 259 K CB 1.272 33.649 32.500 -0.205 0.000 1.420 259 K HN 0.287 nan 8.250 nan 0.000 0.455 260 Y N 0.409 120.751 120.300 0.070 0.000 2.446 260 Y HA 0.375 4.924 4.550 -0.001 0.000 0.345 260 Y C -0.216 175.765 175.900 0.135 0.000 0.984 260 Y CA -0.983 57.177 58.100 0.100 0.000 1.058 260 Y CB 1.306 39.833 38.460 0.111 0.000 1.220 260 Y HN 0.209 nan 8.280 nan 0.000 0.455 261 L N 4.649 126.024 121.223 0.253 0.000 2.426 261 L HA 0.244 4.584 4.340 -0.001 0.000 0.271 261 L C 0.296 177.307 176.870 0.234 0.000 1.169 261 L CA -0.377 54.578 54.840 0.193 0.000 0.836 261 L CB 0.362 42.380 42.059 -0.069 0.000 1.112 261 L HN 0.566 nan 8.230 nan 0.000 0.465 262 I N 0.191 120.886 120.570 0.209 0.000 2.588 262 I HA 0.231 4.401 4.170 -0.001 0.000 0.283 262 I C 0.985 177.163 176.117 0.102 0.000 1.119 262 I CA -0.166 61.205 61.300 0.118 0.000 1.419 262 I CB 1.164 39.195 38.000 0.051 0.000 1.394 262 I HN 0.703 nan 8.210 nan 0.000 0.562 263 A N 4.154 126.996 122.820 0.037 0.000 2.147 263 A HA 0.215 4.535 4.320 -0.001 0.000 0.211 263 A C 1.032 178.590 177.584 -0.043 0.000 1.160 263 A CA 0.985 53.032 52.037 0.017 0.000 0.781 263 A CB -0.082 18.936 19.000 0.030 0.000 0.842 263 A HN 0.893 nan 8.150 nan 0.000 0.475 264 T N -2.340 112.179 114.554 -0.059 0.000 2.957 264 T HA 0.303 4.653 4.350 -0.001 0.000 0.336 264 T C 0.815 175.468 174.700 -0.078 0.000 1.462 264 T CA 0.345 62.407 62.100 -0.063 0.000 1.073 264 T CB 0.954 69.821 68.868 -0.002 0.000 1.319 264 T HN 0.454 nan 8.240 nan 0.000 0.485 265 S N 1.937 117.581 115.700 -0.093 0.000 2.469 265 S HA -0.094 4.376 4.470 -0.001 0.000 0.238 265 S C 1.576 176.092 174.600 -0.142 0.000 0.998 265 S CA 1.186 59.325 58.200 -0.103 0.000 0.957 265 S CB -0.369 62.783 63.200 -0.081 0.000 0.764 265 S HN 0.769 nan 8.310 nan 0.000 0.514 266 E N 1.798 121.966 120.200 -0.054 0.000 2.118 266 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 266 E C 1.788 178.341 176.600 -0.078 0.000 0.992 266 E CA 1.392 57.794 56.400 0.003 0.000 0.804 266 E CB -0.343 29.463 29.700 0.177 0.000 0.741 266 E HN 0.673 nan 8.360 nan 0.000 0.458 267 M N 0.640 120.210 119.600 -0.050 0.000 2.065 267 M HA -0.140 4.340 4.480 -0.001 0.000 0.259 267 M C -0.589 175.672 176.300 -0.066 0.000 1.071 267 M CA 2.606 57.884 55.300 -0.037 0.000 1.109 267 M CB -1.201 31.385 32.600 -0.024 0.000 1.313 267 M HN 0.081 nan 8.290 nan 0.000 0.408 268 P HA -0.067 nan 4.420 nan 0.000 0.219 268 P C 1.423 178.618 177.300 -0.175 0.000 1.150 268 P CA 1.447 64.518 63.100 -0.049 0.000 0.814 268 P CB -0.232 31.474 31.700 0.009 0.000 0.787 269 I N 0.189 120.472 120.570 -0.478 0.000 2.252 269 I HA -0.188 3.982 4.170 -0.001 0.000 0.245 269 I C 2.629 178.384 176.117 -0.604 0.000 1.102 269 I CA 1.347 62.099 61.300 -0.914 0.000 1.385 269 I CB -0.817 36.312 38.000 -1.452 0.000 1.064 269 I HN -0.093 nan 8.210 nan 0.000 0.414 270 A N 0.825 123.336 122.820 -0.516 0.000 1.902 270 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 270 A C 2.539 180.183 177.584 0.100 0.000 1.181 270 A CA 1.797 53.785 52.037 -0.082 0.000 0.623 270 A CB -0.832 18.230 19.000 0.104 0.000 0.818 270 A HN 0.413 nan 8.150 nan 0.000 0.443 271 A N -1.839 121.011 122.820 0.050 0.000 1.972 271 A HA -0.110 4.210 4.320 -0.001 0.000 0.219 271 A C 2.055 179.719 177.584 0.133 0.000 1.169 271 A CA 1.541 53.635 52.037 0.096 0.000 0.635 271 A CB -0.768 18.282 19.000 0.083 0.000 0.810 271 A HN 0.676 nan 8.150 nan 0.000 0.446 272 Y N 0.561 120.840 120.300 -0.035 0.000 2.384 272 Y HA -0.221 4.328 4.550 -0.001 0.000 0.289 272 Y C 1.680 177.474 175.900 -0.176 0.000 1.152 272 Y CA 1.964 60.009 58.100 -0.091 0.000 1.258 272 Y CB -0.389 37.986 38.460 -0.142 0.000 0.979 272 Y HN 0.573 nan 8.280 nan 0.000 0.549 273 H N -0.147 118.962 119.070 0.064 0.000 2.529 273 H HA 0.181 4.737 4.556 -0.001 0.000 0.277 273 H C 0.386 175.763 175.328 0.081 0.000 1.004 273 H CA -0.095 56.010 56.048 0.095 0.000 1.167 273 H CB -0.112 29.793 29.762 0.238 0.000 1.445 273 H HN 0.160 nan 8.280 nan 0.000 0.554 274 R N 0.552 121.122 120.500 0.115 0.000 2.570 274 R HA 0.176 4.515 4.340 -0.001 0.000 0.277 274 R C 0.701 177.037 176.300 0.060 0.000 1.039 274 R CA 0.770 56.927 56.100 0.095 0.000 1.065 274 R CB 0.136 30.481 30.300 0.074 0.000 0.964 274 R HN 0.335 nan 8.270 nan 0.000 0.428 275 G N 2.242 111.090 108.800 0.080 0.000 2.175 275 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.265 275 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.265 275 G C 0.149 175.085 174.900 0.060 0.000 0.979 275 G CA 0.565 45.708 45.100 0.071 0.000 0.663 275 G HN 0.706 nan 8.290 nan 0.000 0.533 276 R N -1.409 119.119 120.500 0.047 0.000 2.583 276 R HA 0.539 4.879 4.340 -0.001 0.000 0.268 276 R C -0.464 175.840 176.300 0.006 0.000 1.101 276 R CA -0.282 55.789 56.100 -0.048 0.000 1.180 276 R CB 0.741 30.971 30.300 -0.116 0.000 1.128 276 R HN 0.239 nan 8.270 nan 0.000 0.568 277 W N 2.315 123.380 121.300 -0.391 0.000 2.934 277 W HA 0.294 4.954 4.660 -0.001 0.000 0.333 277 W C -2.185 174.079 176.519 -0.425 0.000 1.035 277 W CA -1.332 55.860 57.345 -0.255 0.000 1.256 277 W CB 0.812 30.177 29.460 -0.159 0.000 1.306 277 W HN 0.412 nan 8.180 nan 0.000 0.430 278 F N 4.368 124.537 119.950 0.364 0.000 2.332 278 F HA 0.174 4.700 4.527 -0.001 0.000 0.368 278 F C 1.887 177.738 175.800 0.085 0.000 1.110 278 F CA -0.138 57.993 58.000 0.218 0.000 1.087 278 F CB 1.397 40.524 39.000 0.211 0.000 1.235 278 F HN 0.257 nan 8.300 nan 0.000 0.470 279 T N -1.362 113.292 114.554 0.166 0.000 2.833 279 T HA -0.065 4.285 4.350 -0.001 0.000 0.269 279 T C 0.486 175.039 174.700 -0.245 0.000 1.054 279 T CA 1.022 63.104 62.100 -0.030 0.000 1.135 279 T CB 0.097 68.940 68.868 -0.042 0.000 0.869 279 T HN 0.561 nan 8.240 nan 0.000 0.466 280 E N -0.716 119.441 120.200 -0.072 0.000 2.392 280 E HA 0.601 4.950 4.350 -0.001 0.000 0.279 280 E C -1.884 174.815 176.600 0.165 0.000 0.964 280 E CA -0.766 55.629 56.400 -0.008 0.000 0.777 280 E CB 1.929 31.646 29.700 0.030 0.000 1.249 280 E HN 0.197 nan 8.360 nan 0.000 0.449 281 L N 4.223 125.595 121.223 0.249 0.000 2.502 281 L HA 0.317 4.657 4.340 -0.001 0.000 0.249 281 L C 0.746 177.679 176.870 0.105 0.000 1.446 281 L CA -0.265 54.662 54.840 0.146 0.000 0.887 281 L CB 0.744 42.873 42.059 0.117 0.000 1.126 281 L HN 0.498 nan 8.230 nan 0.000 0.509 282 K N 0.040 120.489 120.400 0.081 0.000 2.147 282 K HA -0.026 4.293 4.320 -0.001 0.000 0.205 282 K C 0.314 176.935 176.600 0.034 0.000 1.049 282 K CA 0.959 57.282 56.287 0.059 0.000 0.936 282 K CB 0.296 32.824 32.500 0.047 0.000 0.722 282 K HN 0.390 nan 8.250 nan 0.000 0.446 283 E N 0.785 120.991 120.200 0.010 0.000 2.195 283 E HA 0.247 4.597 4.350 -0.001 0.000 0.271 283 E C -2.455 174.096 176.600 -0.081 0.000 0.923 283 E CA -2.311 54.072 56.400 -0.028 0.000 0.790 283 E CB 1.691 31.366 29.700 -0.041 0.000 1.155 283 E HN 0.008 nan 8.360 nan 0.000 0.402 284 P HA 0.178 nan 4.420 nan 0.000 0.274 284 P C -0.277 176.845 177.300 -0.296 0.000 1.246 284 P CA -0.314 62.628 63.100 -0.263 0.000 0.795 284 P CB 0.857 32.262 31.700 -0.492 0.000 1.006 285 L N 1.608 122.634 121.223 -0.328 0.000 2.281 285 L HA 0.351 4.691 4.340 -0.001 0.000 0.285 285 L C 0.873 177.454 176.870 -0.482 0.000 1.074 285 L CA -0.101 54.507 54.840 -0.387 0.000 0.817 285 L CB 0.174 42.077 42.059 -0.260 0.000 1.168 285 L HN 0.227 nan 8.230 nan 0.000 0.434 286 K N 4.366 124.401 120.400 -0.609 0.000 2.463 286 K HA 0.523 4.842 4.320 -0.001 0.000 0.255 286 K C -1.613 174.749 176.600 -0.397 0.000 0.942 286 K CA -0.718 55.238 56.287 -0.551 0.000 0.814 286 K CB 2.043 34.015 32.500 -0.880 0.000 1.122 286 K HN 0.268 nan 8.250 nan 0.000 0.425 287 Y N 0.135 120.568 120.300 0.221 0.000 2.409 287 Y HA 0.428 4.978 4.550 -0.001 0.000 0.343 287 Y C -0.020 176.100 175.900 0.366 0.000 0.973 287 Y CA -1.078 57.191 58.100 0.282 0.000 1.064 287 Y CB 2.155 40.706 38.460 0.150 0.000 1.207 287 Y HN 0.619 nan 8.280 nan 0.000 0.452 288 A N 2.316 125.405 122.820 0.448 0.000 2.444 288 A HA 0.601 4.920 4.320 -0.001 0.000 0.332 288 A C 0.442 178.152 177.584 0.211 0.000 1.430 288 A CA -0.359 51.810 52.037 0.220 0.000 0.975 288 A CB -0.657 18.421 19.000 0.129 0.000 1.147 288 A HN 0.907 nan 8.150 nan 0.000 0.524 289 G N 2.852 111.742 108.800 0.150 0.000 2.364 289 G HA2 0.507 4.466 3.960 -0.001 0.000 0.267 289 G HA3 0.507 4.466 3.960 -0.001 0.000 0.267 289 G C -0.082 174.873 174.900 0.092 0.000 1.233 289 G CA -0.312 44.858 45.100 0.117 0.000 0.885 289 G HN 0.575 nan 8.290 nan 0.000 0.490 290 M N 2.657 122.346 119.600 0.148 0.000 2.134 290 M HA 0.469 4.949 4.480 -0.001 0.000 0.310 290 M C -0.189 176.204 176.300 0.155 0.000 0.966 290 M CA -0.682 54.704 55.300 0.143 0.000 0.922 290 M CB 1.025 33.753 32.600 0.214 0.000 1.537 290 M HN 0.672 nan 8.290 nan 0.000 0.424 291 S N 1.460 117.169 115.700 0.016 0.000 2.636 291 S HA 0.643 5.112 4.470 -0.001 0.000 0.268 291 S C -0.676 173.707 174.600 -0.362 0.000 1.159 291 S CA -0.755 57.363 58.200 -0.137 0.000 0.815 291 S CB 1.791 64.778 63.200 -0.354 0.000 1.130 291 S HN 0.517 nan 8.310 nan 0.000 0.471 292 T N 1.390 115.485 114.554 -0.766 0.000 2.889 292 T HA 0.587 4.937 4.350 -0.001 0.000 0.291 292 T C -0.314 173.712 174.700 -1.123 0.000 0.995 292 T CA -0.249 61.347 62.100 -0.840 0.000 1.092 292 T CB 0.055 68.522 68.868 -0.667 0.000 0.954 292 T HN 0.783 nan 8.240 nan 0.000 0.506 293 C N 2.943 121.529 119.300 -1.190 0.000 2.454 293 C HA 0.773 5.232 4.460 -0.001 0.000 0.336 293 C C -0.644 173.576 174.990 -1.283 0.000 1.189 293 C CA -0.990 57.372 59.018 -1.093 0.000 1.877 293 C CB -0.022 27.025 27.740 -1.156 0.000 2.348 293 C HN 0.841 nan 8.230 nan 0.000 0.508 294 F N 1.404 121.151 119.950 -0.339 0.000 2.539 294 F HA 0.615 5.142 4.527 -0.001 0.000 0.318 294 F C 0.414 176.325 175.800 0.185 0.000 1.135 294 F CA -0.633 57.357 58.000 -0.017 0.000 0.915 294 F CB 1.115 40.153 39.000 0.064 0.000 1.176 294 F HN 0.314 nan 8.300 nan 0.000 0.440 295 R N 2.542 123.337 120.500 0.492 0.000 2.502 295 R HA 0.325 4.665 4.340 -0.001 0.000 0.300 295 R C 0.463 176.975 176.300 0.354 0.000 0.984 295 R CA -0.847 55.464 56.100 0.352 0.000 0.882 295 R CB 2.419 32.929 30.300 0.350 0.000 1.180 295 R HN 0.688 nan 8.270 nan 0.000 0.444 296 K N 1.366 121.730 120.400 -0.060 0.000 2.211 296 K HA -0.112 4.208 4.320 -0.001 0.000 0.203 296 K C -0.203 176.490 176.600 0.156 0.000 1.050 296 K CA 0.770 56.912 56.287 -0.243 0.000 0.945 296 K CB 0.202 32.436 32.500 -0.443 0.000 0.732 296 K HN 0.554 nan 8.250 nan 0.000 0.451 297 E N -0.796 119.494 120.200 0.150 0.000 2.360 297 E HA -0.218 4.132 4.350 -0.001 0.000 0.238 297 E C -0.404 176.251 176.600 0.090 0.000 1.186 297 E CA 0.820 57.295 56.400 0.125 0.000 0.719 297 E CB -1.812 27.963 29.700 0.125 0.000 1.236 297 E HN 0.435 nan 8.360 nan 0.000 0.386 307 G N 0.574 109.413 108.800 0.065 0.000 2.566 307 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.280 307 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.280 307 G C 0.412 175.333 174.900 0.034 0.000 1.225 307 G CA 0.801 45.958 45.100 0.094 0.000 0.966 307 G HN 1.592 nan 8.290 nan 0.000 0.560 308 I N -2.374 118.194 120.570 -0.003 0.000 3.891 308 I HA 0.591 4.761 4.170 -0.001 0.000 0.331 308 I C 1.735 177.736 176.117 -0.193 0.000 1.406 308 I CA 0.261 61.411 61.300 -0.249 0.000 1.139 308 I CB -0.137 37.567 38.000 -0.494 0.000 1.056 308 I HN 0.354 nan 8.210 nan 0.000 0.399 309 F N 2.257 122.097 119.950 -0.183 0.000 2.128 309 F HA 0.172 4.699 4.527 -0.001 0.000 0.295 309 F C 1.448 177.100 175.800 -0.246 0.000 1.100 309 F CA 0.829 58.678 58.000 -0.250 0.000 1.260 309 F CB 0.338 39.175 39.000 -0.271 0.000 1.009 309 F HN 0.015 nan 8.300 nan 0.000 0.476 310 R N 1.179 121.638 120.500 -0.068 0.000 2.358 310 R HA 0.491 4.830 4.340 -0.001 0.000 0.309 310 R C -1.662 174.549 176.300 -0.148 0.000 1.026 310 R CA -0.420 55.588 56.100 -0.154 0.000 0.909 310 R CB 1.103 31.394 30.300 -0.015 0.000 1.153 310 R HN 0.068 nan 8.270 nan 0.000 0.515 311 V N -0.198 119.619 119.914 -0.161 0.000 3.160 311 V HA 0.405 4.524 4.120 -0.001 0.000 0.310 311 V C 0.650 176.807 176.094 0.105 0.000 1.181 311 V CA -0.886 61.384 62.300 -0.050 0.000 1.047 311 V CB 2.007 33.864 31.823 0.057 0.000 1.068 311 V HN 0.693 nan 8.190 nan 0.000 0.441 312 H N 0.034 119.300 119.070 0.327 0.000 2.470 312 H HA 0.156 4.712 4.556 -0.001 0.000 0.289 312 H C 0.681 176.205 175.328 0.326 0.000 1.033 312 H CA 1.463 57.736 56.048 0.375 0.000 1.331 312 H CB 0.634 30.635 29.762 0.398 0.000 1.414 312 H HN 0.749 nan 8.280 nan 0.000 0.545 313 Q N 0.289 120.321 119.800 0.386 0.000 2.310 313 Q HA 0.421 4.761 4.340 -0.001 0.000 0.270 313 Q C -1.708 174.380 176.000 0.148 0.000 1.025 313 Q CA -0.786 55.014 55.803 -0.005 0.000 0.772 313 Q CB 1.349 30.075 28.738 -0.021 0.000 1.253 313 Q HN 0.094 nan 8.270 nan 0.000 0.450 314 F N 0.074 119.901 119.950 -0.206 0.000 2.665 314 F HA 0.477 5.004 4.527 -0.001 0.000 0.308 314 F C -1.198 174.477 175.800 -0.207 0.000 1.112 314 F CA -1.263 56.662 58.000 -0.124 0.000 0.972 314 F CB 0.912 39.844 39.000 -0.113 0.000 1.295 314 F HN 0.240 nan 8.300 nan 0.000 0.440 315 D N 2.431 122.838 120.400 0.011 0.000 2.345 315 D HA 0.321 4.961 4.640 -0.001 0.000 0.247 315 D C -0.763 175.564 176.300 0.045 0.000 1.108 315 D CA 0.064 54.038 54.000 -0.043 0.000 0.894 315 D CB 1.822 42.629 40.800 0.012 0.000 1.203 315 D HN 0.631 nan 8.370 nan 0.000 0.430 316 K N 1.533 121.917 120.400 -0.027 0.000 2.523 316 K HA 0.400 4.720 4.320 -0.001 0.000 0.257 316 K C -1.565 175.009 176.600 -0.044 0.000 0.932 316 K CA -0.738 55.548 56.287 -0.002 0.000 0.812 316 K CB 1.485 34.014 32.500 0.048 0.000 1.326 316 K HN 0.181 nan 8.250 nan 0.000 0.433 317 I N 2.974 123.499 120.570 -0.075 0.000 2.362 317 I HA 0.297 4.467 4.170 -0.001 0.000 0.289 317 I C -0.441 175.603 176.117 -0.121 0.000 0.994 317 I CA -0.174 61.068 61.300 -0.097 0.000 1.158 317 I CB 1.744 39.654 38.000 -0.151 0.000 1.315 317 I HN 0.496 nan 8.210 nan 0.000 0.451 318 E N 4.869 125.028 120.200 -0.069 0.000 2.277 318 E HA 0.517 4.867 4.350 -0.001 0.000 0.266 318 E C -1.166 175.422 176.600 -0.020 0.000 0.901 318 E CA -0.999 55.373 56.400 -0.046 0.000 0.782 318 E CB 1.847 31.552 29.700 0.008 0.000 1.228 318 E HN 0.462 nan 8.360 nan 0.000 0.424 319 Q N 1.530 121.321 119.800 -0.015 0.000 2.257 319 Q HA 0.448 4.787 4.340 -0.001 0.000 0.255 319 Q C -1.347 174.781 176.000 0.213 0.000 0.920 319 Q CA -0.346 55.499 55.803 0.071 0.000 0.927 319 Q CB 1.407 30.153 28.738 0.014 0.000 1.229 319 Q HN 0.369 nan 8.270 nan 0.000 0.433 320 F N 2.302 122.356 119.950 0.173 0.000 2.539 320 F HA 0.494 5.020 4.527 -0.001 0.000 0.318 320 F C -1.317 174.543 175.800 0.100 0.000 1.135 320 F CA -0.828 57.233 58.000 0.102 0.000 0.915 320 F CB 1.323 40.359 39.000 0.060 0.000 1.176 320 F HN 0.241 nan 8.300 nan 0.000 0.440 321 V N 6.298 126.033 119.914 -0.299 0.000 2.540 321 V HA 0.539 4.659 4.120 -0.001 0.000 0.302 321 V C -0.941 174.957 176.094 -0.327 0.000 1.035 321 V CA -0.853 61.286 62.300 -0.268 0.000 0.873 321 V CB 1.824 33.443 31.823 -0.340 0.000 0.992 321 V HN 0.525 nan 8.190 nan 0.000 0.428 322 V N 4.381 124.175 119.914 -0.201 0.000 2.409 322 V HA 0.637 4.757 4.120 -0.001 0.000 0.291 322 V C 0.008 175.957 176.094 -0.241 0.000 1.020 322 V CA -0.420 61.764 62.300 -0.194 0.000 0.848 322 V CB 1.296 33.009 31.823 -0.184 0.000 0.990 322 V HN 1.149 nan 8.190 nan 0.000 0.430 323 C N 1.891 121.079 119.300 -0.185 0.000 3.236 323 C HA 0.838 5.297 4.460 -0.001 0.000 0.312 323 C C 0.449 175.332 174.990 -0.178 0.000 1.374 323 C CA -0.941 57.980 59.018 -0.163 0.000 1.455 323 C CB 1.418 29.086 27.740 -0.119 0.000 1.834 323 C HN 0.809 nan 8.230 nan 0.000 0.460 324 S N 1.989 117.566 115.700 -0.205 0.000 2.552 324 S HA 0.256 4.726 4.470 -0.001 0.000 0.289 324 S C -0.890 173.323 174.600 -0.644 0.000 1.304 324 S CA -0.139 57.739 58.200 -0.537 0.000 1.063 324 S CB 0.460 63.470 63.200 -0.316 0.000 0.848 324 S HN 0.774 nan 8.310 nan 0.000 0.499 325 P HA 0.048 nan 4.420 nan 0.000 0.245 325 P C -0.086 176.846 177.300 -0.614 0.000 1.212 325 P CA 0.375 62.821 63.100 -1.089 0.000 0.774 325 P CB 0.137 31.402 31.700 -0.725 0.000 0.999 326 R N 0.207 120.462 120.500 -0.409 0.000 2.536 326 R HA 0.276 4.616 4.340 -0.001 0.000 0.279 326 R C 0.631 176.880 176.300 -0.085 0.000 1.001 326 R CA -0.627 55.367 56.100 -0.176 0.000 1.027 326 R CB 0.420 30.659 30.300 -0.102 0.000 1.096 326 R HN -0.108 nan 8.270 nan 0.000 0.502 327 Q N 1.441 121.232 119.800 -0.015 0.000 2.461 327 Q HA -0.264 4.075 4.340 -0.001 0.000 0.273 327 Q C -0.751 175.284 176.000 0.058 0.000 1.163 327 Q CA 1.331 57.147 55.803 0.021 0.000 0.929 327 Q CB -1.595 27.149 28.738 0.010 0.000 1.334 327 Q HN 0.958 nan 8.270 nan 0.000 0.499 328 E N -1.197 119.070 120.200 0.110 0.000 2.586 328 E HA -0.312 4.038 4.350 -0.001 0.000 0.259 328 E C 0.837 177.539 176.600 0.170 0.000 1.107 328 E CA 0.969 57.531 56.400 0.270 0.000 0.754 328 E CB -0.805 29.097 29.700 0.337 0.000 1.335 328 E HN 0.696 nan 8.360 nan 0.000 0.411 329 E N 0.688 120.901 120.200 0.021 0.000 2.118 329 E HA -0.228 4.121 4.350 -0.001 0.000 0.195 329 E C 2.000 178.546 176.600 -0.089 0.000 0.992 329 E CA 1.674 58.036 56.400 -0.064 0.000 0.804 329 E CB 0.028 29.691 29.700 -0.061 0.000 0.741 329 E HN 0.437 nan 8.360 nan 0.000 0.458 330 S N -0.402 115.264 115.700 -0.056 0.000 2.400 330 S HA -0.185 4.285 4.470 -0.001 0.000 0.232 330 S C 1.647 176.039 174.600 -0.348 0.000 1.025 330 S CA 1.072 59.174 58.200 -0.163 0.000 0.993 330 S CB -0.950 62.131 63.200 -0.198 0.000 0.808 330 S HN 0.493 nan 8.310 nan 0.000 0.478 331 W N 2.020 123.323 121.300 0.005 0.000 2.402 331 W HA 0.168 4.828 4.660 -0.000 0.000 0.286 331 W C 2.931 179.415 176.519 -0.058 0.000 1.221 331 W CA 0.600 57.918 57.345 -0.045 0.000 1.257 331 W CB -0.203 29.233 29.460 -0.040 0.000 1.120 331 W HN 0.272 nan 8.180 nan 0.000 0.551 332 R N -0.350 120.173 120.500 0.038 0.000 2.092 332 R HA -0.149 4.190 4.340 -0.001 0.000 0.231 332 R C 2.041 178.256 176.300 -0.142 0.000 1.119 332 R CA 1.574 57.624 56.100 -0.083 0.000 0.970 332 R CB -0.553 29.627 30.300 -0.200 0.000 0.864 332 R HN 0.220 nan 8.270 nan 0.000 0.440 333 H N 0.255 119.309 119.070 -0.026 0.000 2.428 333 H HA -0.108 4.448 4.556 -0.001 0.000 0.296 333 H C 2.010 177.319 175.328 -0.031 0.000 1.062 333 H CA 1.256 57.273 56.048 -0.052 0.000 1.350 333 H CB -0.119 29.577 29.762 -0.110 0.000 1.403 333 H HN 0.190 nan 8.280 nan 0.000 0.533 334 L N 1.657 122.912 121.223 0.054 0.000 2.042 334 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 334 L C 2.132 179.091 176.870 0.149 0.000 1.076 334 L CA 1.699 56.587 54.840 0.079 0.000 0.749 334 L CB -0.326 41.770 42.059 0.061 0.000 0.893 334 L HN 0.023 nan 8.230 nan 0.000 0.432 335 E N -0.081 120.203 120.200 0.139 0.000 2.077 335 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 335 E C 1.952 178.576 176.600 0.041 0.000 0.989 335 E CA 1.438 57.888 56.400 0.083 0.000 0.800 335 E CB -0.472 29.272 29.700 0.073 0.000 0.746 335 E HN 0.588 nan 8.360 nan 0.000 0.452 336 D N 0.205 120.641 120.400 0.060 0.000 2.144 336 D HA -0.104 4.536 4.640 -0.001 0.000 0.199 336 D C 2.058 178.411 176.300 0.089 0.000 0.984 336 D CA 0.943 54.986 54.000 0.073 0.000 0.834 336 D CB -0.204 40.659 40.800 0.105 0.000 0.955 336 D HN 0.197 nan 8.370 nan 0.000 0.465 337 M N -0.290 119.369 119.600 0.098 0.000 2.099 337 M HA -0.098 4.382 4.480 -0.001 0.000 0.262 337 M C 2.154 178.478 176.300 0.039 0.000 1.067 337 M CA 0.729 56.084 55.300 0.092 0.000 1.124 337 M CB -0.095 32.554 32.600 0.082 0.000 1.353 337 M HN -0.029 nan 8.290 nan 0.000 0.410 338 I N 0.380 120.959 120.570 0.016 0.000 2.286 338 I HA -0.223 3.947 4.170 -0.001 0.000 0.248 338 I C 2.144 178.219 176.117 -0.071 0.000 1.115 338 I CA 1.796 63.062 61.300 -0.057 0.000 1.392 338 I CB -0.486 37.397 38.000 -0.195 0.000 1.065 338 I HN 0.225 nan 8.210 nan 0.000 0.418 339 T N -0.116 114.414 114.554 -0.040 0.000 2.746 339 T HA -0.169 4.181 4.350 -0.001 0.000 0.267 339 T C 1.804 176.529 174.700 0.041 0.000 1.039 339 T CA 2.087 64.182 62.100 -0.008 0.000 1.142 339 T CB -0.523 68.350 68.868 0.008 0.000 0.866 339 T HN 0.407 nan 8.240 nan 0.000 0.444 340 T N 1.794 116.391 114.554 0.072 0.000 2.720 340 T HA -0.100 4.249 4.350 -0.001 0.000 0.268 340 T C 2.413 177.201 174.700 0.147 0.000 1.037 340 T CA 1.464 63.652 62.100 0.148 0.000 1.144 340 T CB -0.409 68.541 68.868 0.136 0.000 0.864 340 T HN 0.308 nan 8.240 nan 0.000 0.444 341 S N 1.031 116.739 115.700 0.012 0.000 2.368 341 S HA -0.104 4.365 4.470 -0.001 0.000 0.225 341 S C 2.084 176.633 174.600 -0.086 0.000 1.030 341 S CA 0.999 59.160 58.200 -0.065 0.000 0.999 341 S CB -0.262 62.870 63.200 -0.113 0.000 0.844 341 S HN 0.585 nan 8.310 nan 0.000 0.459 342 E N 0.999 121.124 120.200 -0.124 0.000 2.058 342 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 342 E C 2.132 178.693 176.600 -0.064 0.000 0.997 342 E CA 1.137 57.418 56.400 -0.198 0.000 0.801 342 E CB -0.159 29.504 29.700 -0.061 0.000 0.746 342 E HN 0.576 nan 8.360 nan 0.000 0.450 343 E N 0.056 120.291 120.200 0.058 0.000 2.110 343 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 343 E C 1.828 178.527 176.600 0.166 0.000 0.988 343 E CA 0.689 57.176 56.400 0.146 0.000 0.804 343 E CB -0.161 29.703 29.700 0.273 0.000 0.745 343 E HN 0.186 nan 8.360 nan 0.000 0.458 344 F N 2.399 122.270 119.950 -0.131 0.000 2.069 344 F HA -0.210 4.317 4.527 -0.001 0.000 0.298 344 F C 1.914 177.558 175.800 -0.260 0.000 1.113 344 F CA 1.522 59.174 58.000 -0.579 0.000 1.214 344 F CB -0.150 38.369 39.000 -0.801 0.000 0.978 344 F HN -0.063 nan 8.300 nan 0.000 0.474 345 N N 0.513 119.156 118.700 -0.094 0.000 2.244 345 N HA -0.160 4.580 4.740 -0.001 0.000 0.183 345 N C 1.780 177.260 175.510 -0.050 0.000 1.016 345 N CA 1.180 54.179 53.050 -0.085 0.000 0.866 345 N CB -0.242 38.216 38.487 -0.048 0.000 0.980 345 N HN 0.424 nan 8.380 nan 0.000 0.430 346 K N 0.918 121.222 120.400 -0.161 0.000 2.063 346 K HA -0.103 4.217 4.320 -0.001 0.000 0.208 346 K C 2.342 178.902 176.600 -0.067 0.000 1.048 346 K CA 1.557 57.644 56.287 -0.334 0.000 0.928 346 K CB -0.180 32.026 32.500 -0.490 0.000 0.713 346 K HN 0.205 nan 8.250 nan 0.000 0.442 347 S N 1.254 116.914 115.700 -0.068 0.000 2.399 347 S HA -0.105 4.364 4.470 -0.001 0.000 0.231 347 S C 1.912 176.456 174.600 -0.093 0.000 1.022 347 S CA 0.929 59.115 58.200 -0.023 0.000 0.983 347 S CB -0.434 62.810 63.200 0.072 0.000 0.803 347 S HN 0.228 nan 8.310 nan 0.000 0.480 348 L N 0.993 122.107 121.223 -0.181 0.000 2.492 348 L HA 0.255 4.595 4.340 -0.001 0.000 0.223 348 L C 1.793 178.737 176.870 0.123 0.000 1.132 348 L CA 0.366 55.120 54.840 -0.144 0.000 0.850 348 L CB -0.937 40.972 42.059 -0.249 0.000 0.966 348 L HN 0.623 nan 8.230 nan 0.000 0.454 349 G N 1.174 110.091 108.800 0.195 0.000 2.198 349 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.257 349 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.257 349 G C -0.037 175.062 174.900 0.332 0.000 1.042 349 G CA -0.157 45.138 45.100 0.325 0.000 0.791 349 G HN 0.245 nan 8.290 nan 0.000 0.502 350 L N 1.543 122.987 121.223 0.369 0.000 2.272 350 L HA 0.431 4.771 4.340 -0.001 0.000 0.289 350 L C -1.544 175.619 176.870 0.489 0.000 1.032 350 L CA -2.304 52.725 54.840 0.316 0.000 0.810 350 L CB 1.585 43.780 42.059 0.226 0.000 1.205 350 L HN -0.022 nan 8.230 nan 0.000 0.422 351 P HA 0.198 nan 4.420 nan 0.000 0.274 351 P C -1.524 176.044 177.300 0.447 0.000 1.231 351 P CA 0.079 63.326 63.100 0.244 0.000 0.790 351 P CB 0.866 32.610 31.700 0.073 0.000 0.951 352 Y N -1.096 119.452 120.300 0.413 0.000 2.741 352 Y HA 0.635 5.185 4.550 -0.001 0.000 0.339 352 Y C -1.141 174.966 175.900 0.345 0.000 1.226 352 Y CA -1.455 56.906 58.100 0.434 0.000 1.072 352 Y CB 1.005 39.662 38.460 0.330 0.000 1.331 352 Y HN 0.532 nan 8.280 nan 0.000 0.453 353 R N 0.912 121.715 120.500 0.505 0.000 2.807 353 R HA 0.901 5.240 4.340 -0.001 0.000 0.276 353 R C -2.065 174.413 176.300 0.297 0.000 0.979 353 R CA -1.154 55.090 56.100 0.239 0.000 0.928 353 R CB 2.327 32.515 30.300 -0.187 0.000 1.191 353 R HN 0.525 nan 8.270 nan 0.000 0.471 354 V N 2.901 122.948 119.914 0.222 0.000 2.398 354 V HA 0.376 4.496 4.120 -0.001 0.000 0.286 354 V C 0.103 176.259 176.094 0.102 0.000 1.026 354 V CA -0.622 61.761 62.300 0.139 0.000 0.868 354 V CB 1.412 33.283 31.823 0.080 0.000 0.982 354 V HN 0.660 nan 8.190 nan 0.000 0.443 355 V N 2.154 122.139 119.914 0.119 0.000 2.815 355 V HA 0.693 4.813 4.120 -0.001 0.000 0.314 355 V C -0.314 175.900 176.094 0.200 0.000 1.064 355 V CA -0.890 61.478 62.300 0.114 0.000 0.952 355 V CB 2.084 33.935 31.823 0.048 0.000 1.020 355 V HN 0.722 nan 8.190 nan 0.000 0.439 356 N N 3.585 122.382 118.700 0.161 0.000 2.426 356 N HA 0.366 5.106 4.740 -0.001 0.000 0.257 356 N C -0.600 174.922 175.510 0.021 0.000 1.002 356 N CA -0.671 52.431 53.050 0.085 0.000 0.942 356 N CB 0.674 39.215 38.487 0.090 0.000 1.112 356 N HN 0.706 nan 8.380 nan 0.000 0.499 357 I N 3.514 124.075 120.570 -0.015 0.000 2.496 357 I HA 0.062 4.232 4.170 -0.001 0.000 0.285 357 I C 1.301 177.415 176.117 -0.006 0.000 1.080 357 I CA -0.705 60.591 61.300 -0.006 0.000 1.404 357 I CB -0.521 37.471 38.000 -0.014 0.000 1.403 357 I HN 0.573 nan 8.210 nan 0.000 0.539 358 C N 4.196 123.502 119.300 0.011 0.000 2.700 358 C HA 0.173 4.633 4.460 -0.001 0.000 0.397 358 C C 2.066 177.081 174.990 0.042 0.000 1.301 358 C CA -0.085 58.950 59.018 0.029 0.000 2.219 358 C CB 0.201 27.961 27.740 0.034 0.000 2.699 358 C HN 0.933 nan 8.230 nan 0.000 0.669 359 S N 1.794 117.543 115.700 0.081 0.000 2.370 359 S HA -0.055 4.415 4.470 -0.001 0.000 0.226 359 S C 1.856 176.532 174.600 0.127 0.000 1.033 359 S CA 1.484 59.742 58.200 0.095 0.000 1.011 359 S CB -1.307 61.962 63.200 0.116 0.000 0.852 359 S HN 1.362 nan 8.310 nan 0.000 0.457 360 G N 0.797 109.700 108.800 0.172 0.000 2.471 360 G HA2 0.235 4.194 3.960 -0.001 0.000 0.219 360 G HA3 0.235 4.194 3.960 -0.001 0.000 0.219 360 G C 1.368 176.285 174.900 0.029 0.000 1.125 360 G CA 0.599 45.765 45.100 0.111 0.000 0.775 360 G HN 0.797 nan 8.290 nan 0.000 0.548 361 A N -0.359 122.469 122.820 0.015 0.000 2.169 361 A HA 0.513 4.832 4.320 -0.001 0.000 0.210 361 A C 1.050 178.630 177.584 -0.006 0.000 1.168 361 A CA -0.376 51.659 52.037 -0.002 0.000 0.813 361 A CB 0.043 19.039 19.000 -0.007 0.000 0.861 361 A HN 0.259 nan 8.150 nan 0.000 0.481 362 L N 2.680 123.900 121.223 -0.005 0.000 2.490 362 L HA 0.029 4.369 4.340 -0.001 0.000 0.274 362 L C 0.322 177.168 176.870 -0.039 0.000 1.201 362 L CA -0.587 54.236 54.840 -0.028 0.000 0.869 362 L CB 0.196 42.235 42.059 -0.033 0.000 1.123 362 L HN 0.555 nan 8.230 nan 0.000 0.484 363 N N 2.683 121.348 118.700 -0.059 0.000 2.371 363 N HA -0.046 4.693 4.740 -0.001 0.000 0.243 363 N C 0.327 175.755 175.510 -0.138 0.000 1.287 363 N CA -0.452 52.553 53.050 -0.076 0.000 0.911 363 N CB 0.312 38.754 38.487 -0.074 0.000 1.142 363 N HN 0.449 nan 8.380 nan 0.000 0.451 364 N N 0.275 118.883 118.700 -0.154 0.000 2.149 364 N HA -0.129 4.611 4.740 -0.001 0.000 0.188 364 N C 1.532 176.613 175.510 -0.714 0.000 1.019 364 N CA 1.781 54.669 53.050 -0.270 0.000 0.857 364 N CB -0.667 37.759 38.487 -0.103 0.000 0.997 364 N HN 0.772 nan 8.380 nan 0.000 0.426 365 A N 0.262 122.656 122.820 -0.711 0.000 1.968 365 A HA 0.288 4.608 4.320 -0.001 0.000 0.217 365 A C 1.127 178.395 177.584 -0.527 0.000 1.169 365 A CA 0.850 52.323 52.037 -0.940 0.000 0.638 365 A CB -0.501 18.312 19.000 -0.311 0.000 0.812 365 A HN 0.290 nan 8.150 nan 0.000 0.446 366 A N -0.525 122.105 122.820 -0.318 0.000 2.409 366 A HA 0.583 4.903 4.320 -0.001 0.000 0.267 366 A C 1.167 178.671 177.584 -0.133 0.000 1.127 366 A CA 0.263 52.185 52.037 -0.191 0.000 0.795 366 A CB 0.379 19.300 19.000 -0.132 0.000 1.061 366 A HN 0.982 nan 8.150 nan 0.000 0.502 367 A N 2.415 125.200 122.820 -0.057 0.000 2.081 367 A HA 0.339 4.659 4.320 -0.001 0.000 0.214 367 A C 0.930 178.616 177.584 0.171 0.000 1.158 367 A CA 1.347 53.442 52.037 0.096 0.000 0.724 367 A CB 0.009 19.164 19.000 0.259 0.000 0.826 367 A HN 0.795 nan 8.150 nan 0.000 0.463 368 K N -0.953 119.506 120.400 0.098 0.000 2.578 368 K HA 0.446 4.766 4.320 -0.001 0.000 0.269 368 K C -1.825 174.708 176.600 -0.111 0.000 0.941 368 K CA -0.627 55.665 56.287 0.009 0.000 0.847 368 K CB 1.341 33.895 32.500 0.091 0.000 1.397 368 K HN 0.062 nan 8.250 nan 0.000 0.422 369 K N 3.130 123.417 120.400 -0.189 0.000 2.513 369 K HA 0.325 4.645 4.320 -0.001 0.000 0.251 369 K C -1.853 174.623 176.600 -0.207 0.000 0.939 369 K CA -0.680 55.511 56.287 -0.159 0.000 0.793 369 K CB 0.988 33.441 32.500 -0.078 0.000 1.241 369 K HN 0.436 nan 8.250 nan 0.000 0.431 370 Y N 1.634 121.938 120.300 0.007 0.000 2.330 370 Y HA 0.286 4.835 4.550 -0.001 0.000 0.336 370 Y C -0.228 175.673 175.900 0.002 0.000 1.036 370 Y CA -0.476 57.629 58.100 0.010 0.000 1.125 370 Y CB 1.459 39.925 38.460 0.010 0.000 1.194 370 Y HN 0.520 nan 8.280 nan 0.000 0.469 371 D N 2.858 123.361 120.400 0.172 0.000 2.192 371 D HA 0.309 4.949 4.640 -0.001 0.000 0.246 371 D C -1.019 175.342 176.300 0.101 0.000 1.042 371 D CA -0.474 53.590 54.000 0.107 0.000 0.847 371 D CB 1.916 42.765 40.800 0.083 0.000 1.186 371 D HN 0.458 nan 8.370 nan 0.000 0.461 372 L N 2.023 123.282 121.223 0.060 0.000 2.257 372 L HA 0.321 4.660 4.340 -0.001 0.000 0.290 372 L C -0.468 176.479 176.870 0.129 0.000 1.044 372 L CA -0.365 54.498 54.840 0.038 0.000 0.810 372 L CB 0.365 42.347 42.059 -0.128 0.000 1.193 372 L HN 0.246 nan 8.230 nan 0.000 0.425 373 E N 5.168 125.504 120.200 0.227 0.000 2.092 373 E HA 0.444 4.794 4.350 -0.001 0.000 0.271 373 E C -0.455 176.477 176.600 0.553 0.000 0.919 373 E CA -0.664 55.940 56.400 0.341 0.000 0.760 373 E CB 1.608 31.487 29.700 0.298 0.000 1.106 373 E HN 0.739 nan 8.360 nan 0.000 0.408 374 A N 3.882 127.027 122.820 0.541 0.000 2.351 374 A HA 0.108 4.427 4.320 -0.001 0.000 0.257 374 A C -0.591 177.377 177.584 0.640 0.000 1.087 374 A CA -0.498 51.882 52.037 0.571 0.000 0.798 374 A CB 0.457 19.688 19.000 0.385 0.000 1.033 374 A HN 0.807 nan 8.150 nan 0.000 0.488 375 W N 3.405 124.862 121.300 0.263 0.000 2.335 375 W HA 0.489 5.149 4.660 -0.000 0.000 0.306 375 W C -2.009 174.500 176.519 -0.016 0.000 1.216 375 W CA -0.588 56.730 57.345 -0.045 0.000 1.237 375 W CB 0.558 29.883 29.460 -0.226 0.000 1.243 375 W HN 0.486 nan 8.180 nan 0.000 0.493 376 F N 8.922 128.368 119.950 -0.840 0.000 2.313 376 F HA 0.216 4.742 4.527 -0.001 0.000 0.369 376 F C -1.150 174.037 175.800 -1.021 0.000 1.109 376 F CA -2.714 54.876 58.000 -0.682 0.000 1.132 376 F CB 0.694 39.413 39.000 -0.468 0.000 1.291 376 F HN 0.238 nan 8.300 nan 0.000 0.496 377 P HA -0.101 nan 4.420 nan 0.000 0.222 377 P C 1.079 178.257 177.300 -0.204 0.000 1.153 377 P CA 1.134 64.013 63.100 -0.369 0.000 0.798 377 P CB 0.389 32.056 31.700 -0.056 0.000 0.796 378 A N 0.229 122.956 122.820 -0.156 0.000 1.878 378 A HA -0.011 4.308 4.320 -0.001 0.000 0.213 378 A C 2.416 179.922 177.584 -0.129 0.000 1.192 378 A CA 1.403 53.384 52.037 -0.094 0.000 0.619 378 A CB -1.241 17.730 19.000 -0.049 0.000 0.837 378 A HN 0.119 nan 8.150 nan 0.000 0.446 379 S N -0.936 114.670 115.700 -0.157 0.000 2.402 379 S HA 0.210 4.679 4.470 -0.001 0.000 0.229 379 S C 1.460 175.894 174.600 -0.278 0.000 1.021 379 S CA 1.016 59.097 58.200 -0.199 0.000 0.974 379 S CB -0.457 62.622 63.200 -0.203 0.000 0.800 379 S HN 1.748 nan 8.310 nan 0.000 0.484 380 G N 1.214 109.740 108.800 -0.457 0.000 2.256 380 G HA2 0.038 3.998 3.960 -0.001 0.000 0.272 380 G HA3 0.038 3.998 3.960 -0.001 0.000 0.272 380 G C -0.153 174.355 174.900 -0.653 0.000 1.076 380 G CA 0.151 44.922 45.100 -0.548 0.000 0.882 380 G HN 0.988 nan 8.290 nan 0.000 0.497 381 A N -0.832 121.418 122.820 -0.950 0.000 2.572 381 A HA 0.818 5.137 4.320 -0.001 0.000 0.295 381 A C -0.621 176.740 177.584 -0.372 0.000 1.072 381 A CA -0.855 50.915 52.037 -0.444 0.000 0.691 381 A CB 1.034 19.872 19.000 -0.270 0.000 1.291 381 A HN 0.771 nan 8.150 nan 0.000 0.404 382 F N 1.806 121.867 119.950 0.184 0.000 2.438 382 F HA 0.571 5.097 4.527 -0.001 0.000 0.356 382 F C 1.061 176.910 175.800 0.082 0.000 1.099 382 F CA 0.412 58.574 58.000 0.269 0.000 1.185 382 F CB 1.015 40.200 39.000 0.309 0.000 1.115 382 F HN 0.366 nan 8.300 nan 0.000 0.526 383 R N 2.035 122.697 120.500 0.269 0.000 2.621 383 R HA 0.174 4.514 4.340 -0.001 0.000 0.284 383 R C -0.717 175.755 176.300 0.287 0.000 0.998 383 R CA -0.963 55.180 56.100 0.072 0.000 0.895 383 R CB 1.989 31.972 30.300 -0.528 0.000 1.195 383 R HN 0.684 nan 8.270 nan 0.000 0.450 384 E N 3.461 123.803 120.200 0.237 0.000 2.493 384 E HA -0.041 4.308 4.350 -0.001 0.000 0.255 384 E C 0.245 176.970 176.600 0.208 0.000 0.999 384 E CA 0.202 56.721 56.400 0.199 0.000 0.934 384 E CB 0.561 30.331 29.700 0.116 0.000 0.940 384 E HN 0.470 nan 8.360 nan 0.000 0.473 385 L N 3.908 125.235 121.223 0.173 0.000 2.470 385 L HA 0.216 4.555 4.340 -0.001 0.000 0.219 385 L C -0.116 176.755 176.870 0.002 0.000 1.071 385 L CA 0.111 55.008 54.840 0.096 0.000 0.850 385 L CB 0.811 42.955 42.059 0.142 0.000 1.040 385 L HN 0.319 nan 8.230 nan 0.000 0.475 386 V N -0.463 119.456 119.914 0.009 0.000 2.851 386 V HA 0.382 4.502 4.120 -0.001 0.000 0.307 386 V C -0.853 175.241 176.094 0.000 0.000 1.129 386 V CA -0.621 61.664 62.300 -0.025 0.000 0.932 386 V CB 2.255 34.046 31.823 -0.052 0.000 1.024 386 V HN 0.226 nan 8.190 nan 0.000 0.426 387 S N 2.347 118.043 115.700 -0.006 0.000 2.536 387 S HA 0.776 5.246 4.470 -0.001 0.000 0.287 387 S C -0.969 173.637 174.600 0.010 0.000 1.101 387 S CA -0.701 57.509 58.200 0.016 0.000 0.950 387 S CB 1.759 64.965 63.200 0.010 0.000 1.056 387 S HN 0.702 nan 8.310 nan 0.000 0.481 388 C N 2.184 121.509 119.300 0.043 0.000 2.369 388 C HA 0.857 5.317 4.460 -0.001 0.000 0.322 388 C C 0.099 175.098 174.990 0.014 0.000 1.258 388 C CA -0.403 58.638 59.018 0.038 0.000 1.487 388 C CB 1.053 28.851 27.740 0.097 0.000 2.165 388 C HN 0.939 nan 8.230 nan 0.000 0.483 389 S N 2.378 118.046 115.700 -0.053 0.000 2.532 389 S HA 0.389 4.859 4.470 -0.001 0.000 0.299 389 S C -0.677 173.816 174.600 -0.179 0.000 1.105 389 S CA -0.409 57.727 58.200 -0.106 0.000 1.018 389 S CB 1.155 64.291 63.200 -0.107 0.000 1.021 389 S HN 0.772 nan 8.310 nan 0.000 0.483 390 N N 1.531 120.084 118.700 -0.244 0.000 2.420 390 N HA 0.198 4.938 4.740 -0.001 0.000 0.249 390 N C -0.062 175.239 175.510 -0.347 0.000 1.033 390 N CA -0.521 52.277 53.050 -0.421 0.000 0.944 390 N CB 0.390 38.359 38.487 -0.863 0.000 1.113 390 N HN 0.567 nan 8.380 nan 0.000 0.502 391 C N 2.235 121.349 119.300 -0.309 0.000 2.693 391 C HA 0.104 4.564 4.460 -0.001 0.000 0.286 391 C C 1.685 176.524 174.990 -0.250 0.000 1.277 391 C CA 0.357 59.238 59.018 -0.230 0.000 1.705 391 C CB -2.113 25.539 27.740 -0.146 0.000 1.879 391 C HN 0.944 nan 8.230 nan 0.000 0.607 392 T N 1.644 115.923 114.554 -0.457 0.000 6.609 392 T HA -0.394 3.956 4.350 -0.001 0.000 0.204 392 T C 0.481 174.902 174.700 -0.466 0.000 1.650 392 T CA 2.357 63.968 62.100 -0.815 0.000 1.250 392 T CB -1.050 67.345 68.868 -0.789 0.000 1.462 392 T HN 0.520 nan 8.240 nan 0.000 0.418 393 D N 0.296 120.539 120.400 -0.261 0.000 2.388 393 D HA 0.243 4.883 4.640 -0.001 0.000 0.221 393 D C 1.310 177.595 176.300 -0.025 0.000 1.133 393 D CA -0.120 53.870 54.000 -0.017 0.000 0.831 393 D CB -0.563 40.298 40.800 0.102 0.000 0.962 393 D HN 0.691 nan 8.370 nan 0.000 0.502 394 Y N 1.402 121.626 120.300 -0.127 0.000 2.089 394 Y HA -0.230 4.320 4.550 -0.001 0.000 0.282 394 Y C 2.145 177.997 175.900 -0.081 0.000 1.139 394 Y CA 2.095 60.137 58.100 -0.097 0.000 1.123 394 Y CB 0.083 38.495 38.460 -0.079 0.000 0.980 394 Y HN -0.046 nan 8.280 nan 0.000 0.493 395 Q N -0.725 119.153 119.800 0.130 0.000 2.083 395 Q HA -0.147 4.192 4.340 -0.001 0.000 0.198 395 Q C 2.519 178.530 176.000 0.020 0.000 0.969 395 Q CA 2.005 57.854 55.803 0.077 0.000 0.838 395 Q CB -0.345 28.472 28.738 0.132 0.000 0.900 395 Q HN 0.543 nan 8.270 nan 0.000 0.436 396 S N 0.362 116.081 115.700 0.032 0.000 2.382 396 S HA -0.219 4.251 4.470 -0.001 0.000 0.228 396 S C 1.992 176.571 174.600 -0.036 0.000 1.027 396 S CA 1.066 59.310 58.200 0.073 0.000 0.991 396 S CB -0.242 63.045 63.200 0.145 0.000 0.823 396 S HN 0.249 nan 8.310 nan 0.000 0.469 397 Q N 1.323 120.946 119.800 -0.296 0.000 2.167 397 Q HA -0.056 4.284 4.340 -0.001 0.000 0.202 397 Q C 2.286 178.060 176.000 -0.377 0.000 0.970 397 Q CA 1.724 57.081 55.803 -0.743 0.000 0.855 397 Q CB -0.650 27.530 28.738 -0.929 0.000 0.911 397 Q HN 0.629 nan 8.270 nan 0.000 0.438 398 S N -0.203 115.351 115.700 -0.244 0.000 2.383 398 S HA -0.094 4.376 4.470 -0.001 0.000 0.227 398 S C 1.811 176.378 174.600 -0.055 0.000 1.026 398 S CA 1.374 59.482 58.200 -0.154 0.000 0.981 398 S CB -0.169 62.949 63.200 -0.136 0.000 0.818 398 S HN 0.384 nan 8.310 nan 0.000 0.472 399 V N -0.621 119.290 119.914 -0.005 0.000 3.649 399 V HA 0.364 4.484 4.120 -0.001 0.000 0.275 399 V C 0.560 176.703 176.094 0.082 0.000 1.281 399 V CA 0.705 63.038 62.300 0.055 0.000 1.143 399 V CB -1.498 30.384 31.823 0.098 0.000 0.892 399 V HN 0.572 nan 8.190 nan 0.000 0.441 400 N N -0.562 118.188 118.700 0.082 0.000 2.746 400 N HA -0.224 4.516 4.740 -0.001 0.000 0.250 400 N C -0.486 175.137 175.510 0.189 0.000 1.055 400 N CA 0.904 54.062 53.050 0.179 0.000 0.699 400 N CB -1.868 36.699 38.487 0.133 0.000 0.919 400 N HN 0.777 nan 8.380 nan 0.000 0.548 401 C N 2.654 122.099 119.300 0.241 0.000 2.135 401 C HA 0.460 4.920 4.460 -0.001 0.000 0.345 401 C C 0.560 175.668 174.990 0.195 0.000 1.067 401 C CA -0.846 58.315 59.018 0.239 0.000 1.517 401 C CB -0.954 26.971 27.740 0.309 0.000 1.923 401 C HN 0.278 nan 8.230 nan 0.000 0.466 402 R N 3.009 123.451 120.500 -0.097 0.000 2.560 402 R HA 0.350 4.690 4.340 -0.001 0.000 0.270 402 R C -0.932 175.154 176.300 -0.357 0.000 1.074 402 R CA -0.138 55.615 56.100 -0.577 0.000 1.140 402 R CB 1.063 30.439 30.300 -1.540 0.000 1.073 402 R HN 0.801 nan 8.270 nan 0.000 0.527 403 Y N -1.132 118.871 120.300 -0.496 0.000 2.512 403 Y HA 0.436 4.985 4.550 -0.001 0.000 0.348 403 Y C 0.378 176.247 175.900 -0.052 0.000 0.990 403 Y CA 0.671 58.695 58.100 -0.127 0.000 1.033 403 Y CB 1.814 40.260 38.460 -0.023 0.000 1.259 403 Y HN 0.915 nan 8.280 nan 0.000 0.461 404 G N 3.799 112.302 108.800 -0.496 0.000 2.508 404 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.220 404 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.220 404 G C -3.131 171.861 174.900 0.153 0.000 1.287 404 G CA -0.612 44.325 45.100 -0.270 0.000 0.916 404 G HN 0.632 nan 8.290 nan 0.000 0.574 405 P HA 0.436 nan 4.420 nan 0.000 0.283 405 P C -0.561 176.912 177.300 0.290 0.000 1.271 405 P CA -0.798 62.401 63.100 0.164 0.000 0.841 405 P CB 0.636 32.376 31.700 0.067 0.000 1.122 406 N N 0.243 119.087 118.700 0.240 0.000 2.513 406 N HA 0.147 4.887 4.740 -0.001 0.000 0.274 406 N C 1.125 176.729 175.510 0.157 0.000 1.189 406 N CA -0.661 52.568 53.050 0.298 0.000 0.975 406 N CB 0.045 38.614 38.487 0.137 0.000 1.157 406 N HN 0.203 nan 8.380 nan 0.000 0.465 407 L N -1.222 120.093 121.223 0.152 0.000 2.103 407 L HA -0.220 4.120 4.340 -0.001 0.000 0.215 407 L C 1.734 178.646 176.870 0.070 0.000 1.080 407 L CA 1.342 56.239 54.840 0.096 0.000 0.764 407 L CB -0.435 41.679 42.059 0.092 0.000 0.890 407 L HN 0.644 nan 8.230 nan 0.000 0.435 408 R N -0.292 120.246 120.500 0.064 0.000 2.641 408 R HA 0.252 4.592 4.340 -0.001 0.000 0.269 408 R C 1.184 177.496 176.300 0.020 0.000 1.074 408 R CA 0.725 56.847 56.100 0.036 0.000 1.133 408 R CB 0.637 30.951 30.300 0.024 0.000 1.029 408 R HN 0.257 nan 8.270 nan 0.000 0.488 409 G N 1.471 110.279 108.800 0.013 0.000 4.754 409 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.222 409 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.222 409 G C -0.010 174.896 174.900 0.010 0.000 1.377 409 G CA 0.550 45.653 45.100 0.004 0.000 0.942 409 G HN 0.803 nan 8.290 nan 0.000 0.671 410 T N 0.274 114.837 114.554 0.015 0.000 2.799 410 T HA 0.640 4.989 4.350 -0.001 0.000 0.296 410 T C 1.437 176.154 174.700 0.027 0.000 0.947 410 T CA 0.672 62.784 62.100 0.020 0.000 1.141 410 T CB 1.666 70.550 68.868 0.025 0.000 0.891 410 T HN 1.595 nan 8.240 nan 0.000 0.533 411 A N 3.251 126.085 122.820 0.024 0.000 2.015 411 A HA 0.228 4.548 4.320 -0.001 0.000 0.219 411 A C 2.521 180.123 177.584 0.031 0.000 1.163 411 A CA 1.200 53.253 52.037 0.026 0.000 0.646 411 A CB -1.034 17.979 19.000 0.022 0.000 0.806 411 A HN 1.097 nan 8.150 nan 0.000 0.448 412 A N -0.884 121.955 122.820 0.032 0.000 1.930 412 A HA -0.017 4.303 4.320 -0.001 0.000 0.217 412 A C 1.490 179.100 177.584 0.044 0.000 1.175 412 A CA 1.321 53.380 52.037 0.036 0.000 0.627 412 A CB -0.307 18.715 19.000 0.036 0.000 0.815 412 A HN 0.513 nan 8.150 nan 0.000 0.443 413 Q N 0.902 120.732 119.800 0.050 0.000 2.296 413 Q HA 0.182 4.522 4.340 -0.001 0.000 0.263 413 Q C 0.264 176.298 176.000 0.056 0.000 1.026 413 Q CA 0.178 56.016 55.803 0.059 0.000 0.912 413 Q CB 0.345 29.127 28.738 0.072 0.000 1.198 413 Q HN 0.467 nan 8.270 nan 0.000 0.407 414 N N 2.534 121.266 118.700 0.054 0.000 2.510 414 N HA 0.044 4.784 4.740 -0.001 0.000 0.186 414 N C -0.497 175.048 175.510 0.058 0.000 1.051 414 N CA 0.237 53.319 53.050 0.054 0.000 0.877 414 N CB 0.683 39.199 38.487 0.050 0.000 1.183 414 N HN 0.416 nan 8.380 nan 0.000 0.443 415 V N 2.211 122.158 119.914 0.056 0.000 2.539 415 V HA 0.253 4.372 4.120 -0.001 0.000 0.292 415 V C -0.412 175.698 176.094 0.026 0.000 1.045 415 V CA -0.718 61.616 62.300 0.057 0.000 0.945 415 V CB 1.179 33.042 31.823 0.066 0.000 0.993 415 V HN 0.005 nan 8.190 nan 0.000 0.464 416 K N 5.458 125.861 120.400 0.006 0.000 2.383 416 K HA 0.282 4.602 4.320 -0.001 0.000 0.286 416 K C -0.294 176.180 176.600 -0.209 0.000 1.051 416 K CA 0.175 56.371 56.287 -0.151 0.000 0.974 416 K CB 0.526 32.920 32.500 -0.177 0.000 0.968 416 K HN 0.705 nan 8.250 nan 0.000 0.475 417 E N 2.143 122.176 120.200 -0.277 0.000 2.242 417 E HA 0.274 4.623 4.350 -0.001 0.000 0.275 417 E C -1.001 175.338 176.600 -0.435 0.000 1.002 417 E CA -0.639 55.658 56.400 -0.171 0.000 0.841 417 E CB 0.999 30.724 29.700 0.043 0.000 1.109 417 E HN 0.332 nan 8.360 nan 0.000 0.394 418 Y N -0.221 120.087 120.300 0.013 0.000 2.545 418 Y HA 0.260 4.810 4.550 -0.001 0.000 0.348 418 Y C -0.028 175.905 175.900 0.054 0.000 1.002 418 Y CA -1.016 57.095 58.100 0.018 0.000 1.039 418 Y CB 1.139 39.609 38.460 0.017 0.000 1.271 418 Y HN 0.524 nan 8.280 nan 0.000 0.467 419 C N 1.573 121.024 119.300 0.251 0.000 2.700 419 C HA 0.112 4.572 4.460 -0.001 0.000 0.397 419 C C 0.488 175.590 174.990 0.185 0.000 1.301 419 C CA -0.200 58.905 59.018 0.144 0.000 2.219 419 C CB -0.672 27.184 27.740 0.194 0.000 2.699 419 C HN 0.733 nan 8.230 nan 0.000 0.669 420 H N 0.546 119.561 119.070 -0.092 0.000 2.472 420 H HA 0.489 5.045 4.556 -0.001 0.000 0.335 420 H C -0.347 174.878 175.328 -0.172 0.000 1.136 420 H CA -0.448 55.521 56.048 -0.132 0.000 1.264 420 H CB 0.995 30.645 29.762 -0.187 0.000 1.486 420 H HN 0.471 nan 8.280 nan 0.000 0.517 421 M N 3.520 123.050 119.600 -0.117 0.000 2.393 421 M HA 0.318 4.798 4.480 -0.001 0.000 0.299 421 M C -1.536 174.519 176.300 -0.408 0.000 1.103 421 M CA -0.798 54.329 55.300 -0.288 0.000 0.910 421 M CB 2.229 34.716 32.600 -0.189 0.000 1.659 421 M HN 0.251 nan 8.290 nan 0.000 0.445 422 L N 3.219 124.102 121.223 -0.568 0.000 2.354 422 L HA 0.689 5.029 4.340 -0.001 0.000 0.264 422 L C -0.527 175.986 176.870 -0.596 0.000 1.008 422 L CA -0.534 54.027 54.840 -0.466 0.000 0.819 422 L CB 2.022 43.889 42.059 -0.320 0.000 1.339 422 L HN 0.742 nan 8.230 nan 0.000 0.420 423 N N 0.076 118.573 118.700 -0.340 0.000 2.494 423 N HA 0.827 5.566 4.740 -0.001 0.000 0.270 423 N C -1.123 174.338 175.510 -0.082 0.000 1.285 423 N CA -0.651 52.280 53.050 -0.198 0.000 0.812 423 N CB 2.839 41.282 38.487 -0.072 0.000 1.557 423 N HN 0.711 nan 8.380 nan 0.000 0.487 424 G N 0.018 108.800 108.800 -0.030 0.000 2.752 424 G HA2 0.401 4.360 3.960 -0.001 0.000 0.298 424 G HA3 0.401 4.360 3.960 -0.001 0.000 0.298 424 G C -1.181 173.694 174.900 -0.043 0.000 1.434 424 G CA -0.530 44.553 45.100 -0.028 0.000 1.004 424 G HN 0.500 nan 8.290 nan 0.000 0.560 425 T N 2.983 117.504 114.554 -0.056 0.000 2.919 425 T HA 0.182 4.531 4.350 -0.001 0.000 0.302 425 T C 1.338 175.939 174.700 -0.165 0.000 1.031 425 T CA -0.407 61.638 62.100 -0.093 0.000 1.127 425 T CB 1.645 70.462 68.868 -0.085 0.000 0.952 425 T HN 0.393 nan 8.240 nan 0.000 0.540 426 L N 1.520 122.593 121.223 -0.250 0.000 2.265 426 L HA 0.370 4.709 4.340 -0.001 0.000 0.195 426 L C 0.561 177.084 176.870 -0.579 0.000 1.083 426 L CA 1.088 55.661 54.840 -0.445 0.000 0.798 426 L CB 0.387 42.132 42.059 -0.523 0.000 0.989 426 L HN 0.720 nan 8.230 nan 0.000 0.472 427 C N 1.356 120.388 119.300 -0.448 0.000 2.505 427 C HA 0.728 5.188 4.460 -0.001 0.000 0.342 427 C C 0.141 175.048 174.990 -0.138 0.000 1.121 427 C CA -0.917 57.918 59.018 -0.305 0.000 1.306 427 C CB 0.469 27.991 27.740 -0.364 0.000 1.897 427 C HN 0.500 nan 8.230 nan 0.000 0.446 428 A N 6.980 129.742 122.820 -0.097 0.000 2.316 428 A HA 0.470 4.789 4.320 -0.001 0.000 0.311 428 A C 1.097 178.636 177.584 -0.076 0.000 1.339 428 A CA -0.341 51.646 52.037 -0.084 0.000 0.960 428 A CB -0.000 18.888 19.000 -0.187 0.000 1.152 428 A HN 0.838 nan 8.150 nan 0.000 0.547 429 I N 2.645 123.205 120.570 -0.016 0.000 2.226 429 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 429 I C 2.792 178.894 176.117 -0.025 0.000 1.100 429 I CA 2.521 63.823 61.300 0.004 0.000 1.374 429 I CB -1.496 36.526 38.000 0.036 0.000 1.057 429 I HN 0.764 nan 8.210 nan 0.000 0.413 430 T N -1.094 113.419 114.554 -0.068 0.000 2.857 430 T HA -0.123 4.227 4.350 -0.001 0.000 0.266 430 T C 2.057 176.658 174.700 -0.165 0.000 1.048 430 T CA 0.724 62.751 62.100 -0.121 0.000 1.139 430 T CB -0.330 68.421 68.868 -0.194 0.000 0.874 430 T HN 0.271 nan 8.240 nan 0.000 0.455 431 R N 0.742 121.072 120.500 -0.283 0.000 2.081 431 R HA -0.028 4.311 4.340 -0.001 0.000 0.235 431 R C 2.830 179.160 176.300 0.050 0.000 1.131 431 R CA 1.831 57.758 56.100 -0.288 0.000 0.960 431 R CB -0.985 28.986 30.300 -0.547 0.000 0.856 431 R HN 0.402 nan 8.270 nan 0.000 0.436 432 T N 1.354 115.915 114.554 0.012 0.000 2.788 432 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 432 T C 1.856 176.576 174.700 0.033 0.000 1.044 432 T CA 1.330 63.464 62.100 0.057 0.000 1.139 432 T CB -0.075 68.841 68.868 0.080 0.000 0.867 432 T HN 0.182 nan 8.240 nan 0.000 0.454 433 M N 0.344 119.954 119.600 0.017 0.000 2.117 433 M HA -0.089 4.390 4.480 -0.001 0.000 0.262 433 M C 2.638 178.960 176.300 0.036 0.000 1.065 433 M CA 1.172 56.482 55.300 0.016 0.000 1.114 433 M CB -0.613 31.995 32.600 0.014 0.000 1.361 433 M HN 0.330 nan 8.290 nan 0.000 0.408 434 C N -0.689 118.643 119.300 0.054 0.000 2.413 434 C HA -0.190 4.270 4.460 -0.001 0.000 0.276 434 C C 3.098 178.126 174.990 0.064 0.000 1.248 434 C CA 0.708 59.776 59.018 0.082 0.000 1.742 434 C CB -1.089 26.622 27.740 -0.047 0.000 2.017 434 C HN 0.737 nan 8.230 nan 0.000 0.481 435 C N 0.496 119.754 119.300 -0.071 0.000 2.446 435 C HA -0.050 4.409 4.460 -0.001 0.000 0.277 435 C C 2.541 177.395 174.990 -0.227 0.000 1.275 435 C CA 1.042 59.731 59.018 -0.549 0.000 1.727 435 C CB -1.420 26.058 27.740 -0.437 0.000 2.010 435 C HN 0.609 nan 8.230 nan 0.000 0.486 436 I N 0.137 120.679 120.570 -0.047 0.000 2.208 436 I HA -0.239 3.931 4.170 -0.001 0.000 0.245 436 I C 2.694 178.879 176.117 0.113 0.000 1.097 436 I CA 1.719 63.060 61.300 0.068 0.000 1.363 436 I CB -0.477 37.507 38.000 -0.027 0.000 1.051 436 I HN 0.417 nan 8.210 nan 0.000 0.413 437 C N 0.619 119.959 119.300 0.067 0.000 2.413 437 C HA -0.168 4.292 4.460 -0.001 0.000 0.276 437 C C 2.698 177.746 174.990 0.096 0.000 1.236 437 C CA 1.008 60.086 59.018 0.101 0.000 1.735 437 C CB -1.047 26.774 27.740 0.135 0.000 2.031 437 C HN 0.495 nan 8.230 nan 0.000 0.474 438 E N 0.396 120.623 120.200 0.045 0.000 2.072 438 E HA -0.143 4.207 4.350 -0.001 0.000 0.191 438 E C 1.805 178.384 176.600 -0.035 0.000 0.985 438 E CA 0.803 57.206 56.400 0.005 0.000 0.801 438 E CB -0.296 29.378 29.700 -0.045 0.000 0.750 438 E HN 0.638 nan 8.360 nan 0.000 0.452 439 N N -0.195 118.471 118.700 -0.057 0.000 2.354 439 N HA -0.082 4.658 4.740 -0.001 0.000 0.179 439 N C 0.747 176.126 175.510 -0.219 0.000 1.021 439 N CA 0.896 53.871 53.050 -0.126 0.000 0.887 439 N CB 0.169 38.577 38.487 -0.132 0.000 0.974 439 N HN 0.224 nan 8.380 nan 0.000 0.437 440 Y N 1.187 121.462 120.300 -0.042 0.000 2.584 440 Y HA 0.150 4.700 4.550 -0.000 0.000 0.254 440 Y C 0.697 176.574 175.900 -0.039 0.000 1.177 440 Y CA -0.573 57.503 58.100 -0.040 0.000 1.216 440 Y CB 0.209 38.640 38.460 -0.049 0.000 1.172 440 Y HN 0.042 nan 8.280 nan 0.000 0.529 441 Q N 0.973 120.819 119.800 0.078 0.000 2.432 441 Q HA 0.324 4.664 4.340 -0.001 0.000 0.264 441 Q C 0.123 176.141 176.000 0.030 0.000 1.035 441 Q CA 0.466 56.304 55.803 0.060 0.000 0.908 441 Q CB 1.049 29.856 28.738 0.115 0.000 1.280 441 Q HN 0.245 nan 8.270 nan 0.000 0.455 442 T N -1.994 112.562 114.554 0.004 0.000 2.669 442 T HA 0.249 4.598 4.350 -0.001 0.000 0.283 442 T C 0.547 175.297 174.700 0.083 0.000 1.019 442 T CA -0.668 61.443 62.100 0.018 0.000 1.039 442 T CB 1.121 69.978 68.868 -0.020 0.000 1.374 442 T HN 0.677 nan 8.240 nan 0.000 0.523 443 E N 0.215 120.467 120.200 0.087 0.000 2.265 443 E HA -0.096 4.253 4.350 -0.001 0.000 0.196 443 E C 1.573 178.291 176.600 0.196 0.000 0.996 443 E CA 1.101 57.596 56.400 0.160 0.000 0.832 443 E CB 0.052 29.807 29.700 0.093 0.000 0.756 443 E HN 0.642 nan 8.360 nan 0.000 0.491 444 E N -0.592 119.608 120.200 0.001 0.000 2.452 444 E HA 0.155 4.505 4.350 -0.001 0.000 0.197 444 E C 0.743 177.028 176.600 -0.525 0.000 1.022 444 E CA 0.229 56.573 56.400 -0.093 0.000 0.890 444 E CB 1.147 30.801 29.700 -0.076 0.000 0.918 444 E HN 0.184 nan 8.360 nan 0.000 0.496 445 G N 0.213 108.419 108.800 -0.991 0.000 2.398 445 G HA2 0.046 4.006 3.960 -0.001 0.000 0.251 445 G HA3 0.046 4.006 3.960 -0.001 0.000 0.251 445 G C -1.602 172.924 174.900 -0.623 0.000 1.277 445 G CA -0.786 43.561 45.100 -1.255 0.000 0.927 445 G HN -0.049 nan 8.290 nan 0.000 0.477 446 V N 0.935 120.644 119.914 -0.343 0.000 2.378 446 V HA 0.533 4.652 4.120 -0.001 0.000 0.288 446 V C 0.568 176.616 176.094 -0.078 0.000 1.016 446 V CA -0.682 61.545 62.300 -0.121 0.000 0.840 446 V CB 1.176 32.969 31.823 -0.050 0.000 0.994 446 V HN 0.717 nan 8.190 nan 0.000 0.431 447 V N 6.093 126.005 119.914 -0.002 0.000 2.655 447 V HA 0.148 4.268 4.120 -0.001 0.000 0.300 447 V C 0.410 176.447 176.094 -0.094 0.000 1.044 447 V CA -0.108 62.197 62.300 0.008 0.000 1.095 447 V CB 0.981 32.875 31.823 0.118 0.000 0.952 447 V HN 0.530 nan 8.190 nan 0.000 0.485 448 I N 6.822 127.305 120.570 -0.144 0.000 2.371 448 I HA 0.285 4.454 4.170 -0.001 0.000 0.290 448 I C -2.088 173.811 176.117 -0.363 0.000 1.028 448 I CA -2.773 58.378 61.300 -0.248 0.000 1.345 448 I CB 0.812 38.720 38.000 -0.154 0.000 1.407 448 I HN 0.413 nan 8.210 nan 0.000 0.501 449 P HA -0.016 nan 4.420 nan 0.000 0.261 449 P C 0.508 177.640 177.300 -0.279 0.000 1.173 449 P CA 0.160 62.905 63.100 -0.591 0.000 0.760 449 P CB 0.618 31.931 31.700 -0.644 0.000 0.783 450 D N 2.407 122.719 120.400 -0.147 0.000 2.154 450 D HA -0.184 4.455 4.640 -0.001 0.000 0.190 450 D C 1.805 178.033 176.300 -0.121 0.000 1.003 450 D CA 1.871 55.817 54.000 -0.091 0.000 0.849 450 D CB -0.716 40.065 40.800 -0.031 0.000 0.942 450 D HN 0.313 nan 8.370 nan 0.000 0.446 451 V N -0.931 118.872 119.914 -0.185 0.000 2.720 451 V HA -0.140 3.980 4.120 -0.001 0.000 0.256 451 V C 2.292 178.208 176.094 -0.297 0.000 1.082 451 V CA 1.171 63.321 62.300 -0.251 0.000 1.101 451 V CB -0.839 30.717 31.823 -0.444 0.000 0.693 451 V HN 0.144 nan 8.190 nan 0.000 0.479 452 L N -0.688 120.351 121.223 -0.307 0.000 2.418 452 L HA 0.129 4.468 4.340 -0.001 0.000 0.218 452 L C 2.920 179.789 176.870 -0.002 0.000 1.125 452 L CA 0.665 55.395 54.840 -0.183 0.000 0.835 452 L CB -0.437 41.477 42.059 -0.242 0.000 0.953 452 L HN 0.226 nan 8.230 nan 0.000 0.454 453 R N 0.584 121.055 120.500 -0.047 0.000 2.091 453 R HA -0.160 4.179 4.340 -0.001 0.000 0.238 453 R C -0.538 175.756 176.300 -0.010 0.000 1.136 453 R CA 1.499 57.580 56.100 -0.031 0.000 0.959 453 R CB -1.435 28.836 30.300 -0.048 0.000 0.856 453 R HN 0.331 nan 8.270 nan 0.000 0.437 454 P HA -0.103 nan 4.420 nan 0.000 0.226 454 P C 0.230 177.426 177.300 -0.174 0.000 1.153 454 P CA 1.144 64.177 63.100 -0.113 0.000 0.777 454 P CB 0.039 31.632 31.700 -0.178 0.000 0.794 455 Y N -0.452 119.837 120.300 -0.019 0.000 2.490 455 Y HA 0.203 4.753 4.550 -0.001 0.000 0.281 455 Y C 1.472 177.371 175.900 -0.001 0.000 1.174 455 Y CA 0.139 58.245 58.100 0.010 0.000 1.295 455 Y CB -0.378 38.105 38.460 0.038 0.000 1.062 455 Y HN -0.027 nan 8.280 nan 0.000 0.522 456 M N -2.058 117.596 119.600 0.091 0.000 3.053 456 M HA 0.392 4.872 4.480 -0.001 0.000 0.293 456 M C -0.321 175.986 176.300 0.011 0.000 1.470 456 M CA -0.278 55.050 55.300 0.046 0.000 0.582 456 M CB 0.477 33.099 32.600 0.036 0.000 1.435 456 M HN 0.171 nan 8.290 nan 0.000 0.451 457 M N 0.532 120.132 119.600 0.000 0.000 2.703 457 M HA -0.245 4.234 4.480 -0.001 0.000 0.186 457 M C 0.951 177.240 176.300 -0.018 0.000 0.582 457 M CA 1.534 56.827 55.300 -0.011 0.000 0.578 457 M CB -2.300 30.298 32.600 -0.004 0.000 2.115 457 M HN 1.131 nan 8.290 nan 0.000 0.611 458 G N 0.243 109.030 108.800 -0.023 0.000 2.148 458 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.254 458 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.254 458 G C 0.023 174.907 174.900 -0.025 0.000 0.981 458 G CA 0.195 45.279 45.100 -0.027 0.000 0.670 458 G HN 0.617 nan 8.290 nan 0.000 0.528 459 I N 0.645 121.201 120.570 -0.024 0.000 2.618 459 I HA 0.133 4.303 4.170 -0.001 0.000 0.284 459 I C 1.503 177.597 176.117 -0.039 0.000 1.146 459 I CA 0.240 61.524 61.300 -0.027 0.000 1.425 459 I CB 0.780 38.766 38.000 -0.023 0.000 1.383 459 I HN 0.231 nan 8.210 nan 0.000 0.562 460 E N 5.357 125.534 120.200 -0.038 0.000 2.340 460 E HA 0.177 4.527 4.350 -0.001 0.000 0.194 460 E C 0.196 176.765 176.600 -0.051 0.000 0.996 460 E CA 0.484 56.859 56.400 -0.042 0.000 0.869 460 E CB 0.747 30.429 29.700 -0.030 0.000 0.835 460 E HN 0.547 nan 8.360 nan 0.000 0.493 461 M N 1.286 120.853 119.600 -0.055 0.000 2.414 461 M HA 0.301 4.781 4.480 -0.001 0.000 0.287 461 M C -1.915 174.341 176.300 -0.073 0.000 1.181 461 M CA -0.577 54.681 55.300 -0.071 0.000 0.933 461 M CB 2.110 34.666 32.600 -0.073 0.000 1.732 461 M HN -0.069 nan 8.290 nan 0.000 0.486 462 I N 0.800 121.316 120.570 -0.090 0.000 2.412 462 I HA 0.621 4.791 4.170 -0.001 0.000 0.296 462 I C -0.923 175.109 176.117 -0.141 0.000 0.987 462 I CA -0.814 60.439 61.300 -0.079 0.000 1.180 462 I CB 1.635 39.608 38.000 -0.045 0.000 1.340 462 I HN 0.728 nan 8.210 nan 0.000 0.455 463 R N 4.037 124.474 120.500 -0.104 0.000 2.604 463 R HA 0.545 4.885 4.340 -0.001 0.000 0.287 463 R C -1.028 175.238 176.300 -0.057 0.000 0.970 463 R CA -0.812 55.198 56.100 -0.149 0.000 0.946 463 R CB 1.519 31.779 30.300 -0.066 0.000 1.127 463 R HN 0.427 nan 8.270 nan 0.000 0.473 464 F N 1.528 121.487 119.950 0.015 0.000 2.553 464 F HA -0.060 4.467 4.527 -0.001 0.000 0.356 464 F C 2.001 177.809 175.800 0.013 0.000 1.142 464 F CA -0.003 58.005 58.000 0.014 0.000 1.322 464 F CB 0.235 39.242 39.000 0.012 0.000 1.126 464 F HN 0.639 nan 8.300 nan 0.000 0.599 465 E N 0.835 121.175 120.200 0.233 0.000 2.085 465 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 465 E C 0.854 177.513 176.600 0.098 0.000 0.994 465 E CA 0.749 57.222 56.400 0.122 0.000 0.801 465 E CB 0.066 29.817 29.700 0.085 0.000 0.743 465 E HN 0.492 nan 8.360 nan 0.000 0.453 466 N N 0.000 118.760 118.700 0.100 0.000 1.763 466 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 466 N CA 0.000 53.087 53.050 0.062 0.000 0.885 466 N CB 0.000 38.504 38.487 0.028 0.000 1.341 466 N HN 0.000 nan 8.380 nan 0.000 0.667