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 2h2p_1_A DATA FIRST_RESID 17 DATA SEQUENCE RRRQLIRQLL ERDKTPLAIL FMAAVVGTLV GLAAVAFDKG VAWLQNQRMG DATA SEQUENCE ALVHTADNYP LLLTVAFLCS AVLAMFGYFL VRKYAPEAGG SGIPEIEGAL DATA SEQUENCE EDQRPVRWWR VLPVKFFGGL GTLGGGMVLG REGPTVQIGG NIGRMVLDIF DATA SEQUENCE RLKGDEARHT LLATGAAAGL AAAFNAPLAG ILFIIEEMRP QFRYTLISIK DATA SEQUENCE AVFIGVIMST IMYRIFNHEV ALIDVGKLSD APLNTLWLYL ILGIIFGIFG DATA SEQUENCE PIFNKWVLGM QDLLHRVHGG NITKWVLMGG AIGGLCGLLG FVAPATSGGG DATA SEQUENCE FNLIPIATAG NFSMGMLVFI FVARVITTLL CFSSGAPGGI FAPMLALGTV DATA SEQUENCE LGTAFGMVAV ELFPQYHLEA GTFAIAGMGA LLAASIRAPL TGIILVLEMT DATA SEQUENCE DNYQLILPMI ITGLGATLLA QFTGGKPLYS AILARTLAKQ EAEQ 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 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.292 176.300 -0.013 0.000 0.893 17 R CA 0.000 56.092 56.100 -0.014 0.000 0.921 17 R CB 0.000 30.291 30.300 -0.015 0.000 0.687 18 R N 1.381 121.875 120.500 -0.010 0.000 2.397 18 R HA 0.001 4.337 4.340 -0.006 0.000 0.213 18 R C 1.115 177.410 176.300 -0.008 0.000 1.102 18 R CA 1.139 57.233 56.100 -0.009 0.000 1.040 18 R CB 0.019 30.315 30.300 -0.007 0.000 0.844 18 R HN 0.302 nan 8.270 nan 0.000 0.478 19 R N -0.420 120.074 120.500 -0.009 0.000 2.052 19 R HA -0.071 4.265 4.340 -0.006 0.000 0.224 19 R C 2.274 178.568 176.300 -0.010 0.000 1.149 19 R CA 1.203 57.298 56.100 -0.008 0.000 0.962 19 R CB -0.368 29.928 30.300 -0.007 0.000 0.856 19 R HN 0.292 nan 8.270 nan 0.000 0.433 20 Q N 1.121 120.913 119.800 -0.013 0.000 2.030 20 Q HA -0.218 4.119 4.340 -0.006 0.000 0.204 20 Q C 2.159 178.149 176.000 -0.017 0.000 0.986 20 Q CA 1.689 57.483 55.803 -0.016 0.000 0.843 20 Q CB -0.152 28.572 28.738 -0.023 0.000 0.904 20 Q HN 0.168 nan 8.270 nan 0.000 0.420 21 L N 1.103 122.315 121.223 -0.019 0.000 2.010 21 L HA -0.258 4.078 4.340 -0.006 0.000 0.219 21 L C 2.160 179.023 176.870 -0.011 0.000 1.077 21 L CA 1.967 56.797 54.840 -0.017 0.000 0.773 21 L CB -0.790 41.259 42.059 -0.016 0.000 0.892 21 L HN 0.422 nan 8.230 nan 0.000 0.436 22 I N -0.809 119.756 120.570 -0.008 0.000 2.236 22 I HA -0.365 3.802 4.170 -0.006 0.000 0.249 22 I C 2.660 178.774 176.117 -0.005 0.000 1.102 22 I CA 1.685 62.982 61.300 -0.006 0.000 1.365 22 I CB -0.433 37.564 38.000 -0.005 0.000 1.051 22 I HN 0.393 nan 8.210 nan 0.000 0.420 23 R N 1.240 121.737 120.500 -0.006 0.000 2.057 23 R HA -0.133 4.204 4.340 -0.006 0.000 0.229 23 R C 2.147 178.445 176.300 -0.003 0.000 1.136 23 R CA 1.632 57.729 56.100 -0.005 0.000 0.952 23 R CB -0.635 29.661 30.300 -0.006 0.000 0.848 23 R HN 0.358 nan 8.270 nan 0.000 0.430 24 Q N 0.263 120.059 119.800 -0.006 0.000 2.002 24 Q HA -0.167 4.170 4.340 -0.006 0.000 0.204 24 Q C 2.262 178.264 176.000 0.003 0.000 0.988 24 Q CA 2.095 57.897 55.803 -0.003 0.000 0.843 24 Q CB -0.372 28.359 28.738 -0.012 0.000 0.908 24 Q HN 0.297 nan 8.270 nan 0.000 0.420 25 L N 0.508 121.732 121.223 0.001 0.000 1.991 25 L HA -0.287 4.050 4.340 -0.006 0.000 0.221 25 L C 2.304 179.177 176.870 0.004 0.000 1.079 25 L CA 1.383 56.225 54.840 0.004 0.000 0.778 25 L CB -0.577 41.483 42.059 0.001 0.000 0.893 25 L HN 0.283 nan 8.230 nan 0.000 0.437 26 L N -0.827 120.398 121.223 0.002 0.000 2.549 26 L HA -0.151 4.186 4.340 -0.006 0.000 0.230 26 L C 1.764 178.636 176.870 0.004 0.000 1.162 26 L CA 0.598 55.439 54.840 0.002 0.000 0.834 26 L CB -0.321 41.738 42.059 0.000 0.000 0.947 26 L HN 0.306 nan 8.230 nan 0.000 0.452 27 E N -0.603 119.601 120.200 0.006 0.000 2.562 27 E HA 0.123 4.470 4.350 -0.006 0.000 0.214 27 E C 0.406 177.015 176.600 0.015 0.000 0.979 27 E CA -0.141 56.265 56.400 0.010 0.000 1.002 27 E CB 0.421 30.127 29.700 0.010 0.000 1.048 27 E HN 0.308 nan 8.360 nan 0.000 0.488 28 R N 1.872 122.381 120.500 0.016 0.000 2.756 28 R HA -0.061 4.276 4.340 -0.006 0.000 0.264 28 R C -0.298 176.013 176.300 0.019 0.000 1.026 28 R CA 0.358 56.471 56.100 0.022 0.000 1.121 28 R CB 0.199 30.511 30.300 0.021 0.000 0.999 28 R HN -0.131 nan 8.270 nan 0.000 0.449 29 D N 1.948 122.362 120.400 0.025 0.000 3.038 29 D HA -0.168 4.468 4.640 -0.006 0.000 0.229 29 D C -1.269 175.040 176.300 0.015 0.000 1.182 29 D CA 1.305 55.316 54.000 0.019 0.000 0.852 29 D CB -0.329 40.476 40.800 0.009 0.000 0.932 29 D HN 0.561 nan 8.370 nan 0.000 0.406 30 K N 1.154 121.566 120.400 0.021 0.000 3.350 30 K HA 0.175 4.492 4.320 -0.006 0.000 0.181 30 K C -0.441 176.172 176.600 0.023 0.000 1.064 30 K CA -0.593 55.705 56.287 0.017 0.000 0.839 30 K CB 0.822 33.331 32.500 0.016 0.000 0.819 30 K HN 0.114 nan 8.250 nan 0.000 0.523 31 T N 3.086 117.655 114.554 0.025 0.000 2.867 31 T HA 0.084 4.431 4.350 -0.006 0.000 0.297 31 T C -2.290 172.427 174.700 0.028 0.000 0.989 31 T CA -0.882 61.236 62.100 0.030 0.000 1.159 31 T CB 0.128 69.015 68.868 0.033 0.000 0.928 31 T HN 0.062 nan 8.240 nan 0.000 0.538 32 P HA 0.004 nan 4.420 nan 0.000 0.259 32 P C 1.072 178.390 177.300 0.029 0.000 1.163 32 P CA 0.003 63.118 63.100 0.026 0.000 0.760 32 P CB 0.339 32.057 31.700 0.029 0.000 0.762 33 L N 3.817 125.053 121.223 0.021 0.000 2.137 33 L HA -0.323 4.014 4.340 -0.006 0.000 0.213 33 L C 1.998 178.897 176.870 0.048 0.000 1.085 33 L CA 2.074 56.930 54.840 0.027 0.000 0.760 33 L CB -0.427 41.632 42.059 0.000 0.000 0.893 33 L HN 0.446 nan 8.230 nan 0.000 0.434 34 A N -0.179 122.659 122.820 0.031 0.000 1.898 34 A HA -0.177 4.139 4.320 -0.006 0.000 0.216 34 A C 2.122 179.756 177.584 0.083 0.000 1.181 34 A CA 1.708 53.773 52.037 0.046 0.000 0.620 34 A CB -0.625 18.386 19.000 0.019 0.000 0.819 34 A HN 0.490 nan 8.150 nan 0.000 0.442 35 I N -0.109 120.496 120.570 0.059 0.000 2.252 35 I HA -0.218 3.948 4.170 -0.006 0.000 0.245 35 I C 2.034 178.183 176.117 0.053 0.000 1.102 35 I CA 1.006 62.336 61.300 0.049 0.000 1.385 35 I CB -0.355 37.669 38.000 0.040 0.000 1.064 35 I HN 0.270 nan 8.210 nan 0.000 0.414 36 L N -0.352 120.910 121.223 0.065 0.000 2.447 36 L HA -0.223 4.113 4.340 -0.006 0.000 0.225 36 L C 2.297 179.221 176.870 0.091 0.000 1.148 36 L CA 1.164 56.042 54.840 0.064 0.000 0.808 36 L CB -0.507 41.590 42.059 0.064 0.000 0.928 36 L HN 0.284 nan 8.230 nan 0.000 0.448 37 F N -0.432 119.488 119.950 -0.050 0.000 2.383 37 F HA 0.005 4.529 4.527 -0.006 0.000 0.287 37 F C 2.379 178.120 175.800 -0.098 0.000 1.069 37 F CA 0.576 58.533 58.000 -0.073 0.000 1.402 37 F CB 0.103 39.047 39.000 -0.093 0.000 1.116 37 F HN -0.109 nan 8.300 nan 0.000 0.549 38 M N 0.573 120.129 119.600 -0.074 0.000 2.229 38 M HA -0.065 4.412 4.480 -0.006 0.000 0.264 38 M C 2.479 178.666 176.300 -0.189 0.000 1.063 38 M CA 1.383 56.574 55.300 -0.182 0.000 1.114 38 M CB -1.846 30.714 32.600 -0.067 0.000 1.387 38 M HN 0.307 nan 8.290 nan 0.000 0.420 39 A N 0.442 123.191 122.820 -0.120 0.000 1.908 39 A HA -0.071 4.246 4.320 -0.006 0.000 0.218 39 A C 2.419 179.916 177.584 -0.144 0.000 1.181 39 A CA 2.165 54.146 52.037 -0.094 0.000 0.627 39 A CB -0.886 18.090 19.000 -0.040 0.000 0.818 39 A HN 0.487 nan 8.150 nan 0.000 0.445 40 A N -1.082 121.601 122.820 -0.229 0.000 2.019 40 A HA 0.044 4.360 4.320 -0.006 0.000 0.219 40 A C 2.268 179.675 177.584 -0.295 0.000 1.164 40 A CA 1.789 53.664 52.037 -0.269 0.000 0.644 40 A CB -0.670 18.099 19.000 -0.384 0.000 0.805 40 A HN 0.789 nan 8.150 nan 0.000 0.449 41 V N -1.110 118.592 119.914 -0.354 0.000 2.685 41 V HA -0.068 4.049 4.120 -0.006 0.000 0.244 41 V C 2.309 178.311 176.094 -0.153 0.000 1.054 41 V CA 1.569 63.710 62.300 -0.265 0.000 1.076 41 V CB 0.045 31.685 31.823 -0.304 0.000 0.725 41 V HN 0.269 nan 8.190 nan 0.000 0.467 42 V N 1.140 120.971 119.914 -0.139 0.000 2.287 42 V HA -0.163 3.954 4.120 -0.006 0.000 0.248 42 V C 2.703 178.745 176.094 -0.087 0.000 1.053 42 V CA 2.367 64.606 62.300 -0.102 0.000 1.027 42 V CB -1.391 30.379 31.823 -0.089 0.000 0.646 42 V HN 0.627 nan 8.190 nan 0.000 0.447 43 G N -0.579 108.170 108.800 -0.085 0.000 2.459 43 G HA2 -0.268 3.689 3.960 -0.006 0.000 0.217 43 G HA3 -0.268 3.689 3.960 -0.006 0.000 0.217 43 G C 1.691 176.563 174.900 -0.047 0.000 1.183 43 G CA 1.577 46.641 45.100 -0.060 0.000 0.776 43 G HN 0.460 nan 8.290 nan 0.000 0.552 44 T N 1.427 115.946 114.554 -0.059 0.000 2.737 44 T HA -0.083 4.263 4.350 -0.006 0.000 0.269 44 T C 2.399 177.079 174.700 -0.032 0.000 1.040 44 T CA 1.134 63.212 62.100 -0.036 0.000 1.142 44 T CB -0.191 68.646 68.868 -0.052 0.000 0.861 44 T HN 0.156 nan 8.240 nan 0.000 0.456 45 L N 0.434 121.625 121.223 -0.054 0.000 2.044 45 L HA -0.028 4.308 4.340 -0.006 0.000 0.205 45 L C 2.699 179.533 176.870 -0.059 0.000 1.075 45 L CA 0.776 55.581 54.840 -0.060 0.000 0.747 45 L CB -0.713 41.300 42.059 -0.077 0.000 0.903 45 L HN 0.126 nan 8.230 nan 0.000 0.435 46 V N 0.457 120.335 119.914 -0.060 0.000 2.392 46 V HA -0.228 3.888 4.120 -0.006 0.000 0.249 46 V C 2.576 178.653 176.094 -0.028 0.000 1.059 46 V CA 2.004 64.270 62.300 -0.056 0.000 1.051 46 V CB -1.367 30.418 31.823 -0.062 0.000 0.658 46 V HN 0.577 nan 8.190 nan 0.000 0.455 47 G N -0.110 108.685 108.800 -0.008 0.000 2.464 47 G HA2 -0.188 3.768 3.960 -0.006 0.000 0.214 47 G HA3 -0.188 3.768 3.960 -0.006 0.000 0.214 47 G C 1.552 176.460 174.900 0.013 0.000 1.218 47 G CA 0.927 46.047 45.100 0.033 0.000 0.794 47 G HN 0.436 nan 8.290 nan 0.000 0.542 48 L N 0.899 122.112 121.223 -0.015 0.000 2.051 48 L HA -0.210 4.127 4.340 -0.006 0.000 0.214 48 L C 3.414 180.233 176.870 -0.086 0.000 1.076 48 L CA 1.323 56.114 54.840 -0.082 0.000 0.758 48 L CB -0.496 41.525 42.059 -0.063 0.000 0.890 48 L HN 0.347 nan 8.230 nan 0.000 0.433 49 A N -0.050 122.743 122.820 -0.044 0.000 1.832 49 A HA -0.148 4.168 4.320 -0.006 0.000 0.214 49 A C 2.560 180.204 177.584 0.100 0.000 1.200 49 A CA 1.675 53.711 52.037 -0.003 0.000 0.610 49 A CB -0.966 18.009 19.000 -0.041 0.000 0.842 49 A HN 0.382 nan 8.150 nan 0.000 0.444 50 A N -0.707 122.150 122.820 0.061 0.000 1.997 50 A HA -0.089 4.228 4.320 -0.006 0.000 0.221 50 A C 2.235 179.910 177.584 0.151 0.000 1.172 50 A CA 2.110 54.202 52.037 0.090 0.000 0.645 50 A CB -0.957 18.065 19.000 0.036 0.000 0.813 50 A HN 0.422 nan 8.150 nan 0.000 0.454 51 V N -0.576 119.380 119.914 0.069 0.000 2.283 51 V HA -0.183 3.934 4.120 -0.006 0.000 0.243 51 V C 3.061 179.140 176.094 -0.024 0.000 1.039 51 V CA 1.814 64.107 62.300 -0.012 0.000 1.016 51 V CB -1.213 30.482 31.823 -0.214 0.000 0.650 51 V HN 0.630 nan 8.190 nan 0.000 0.449 52 A N -0.393 122.413 122.820 -0.023 0.000 1.917 52 A HA -0.292 4.025 4.320 -0.006 0.000 0.219 52 A C 2.128 179.791 177.584 0.132 0.000 1.182 52 A CA 2.317 54.376 52.037 0.038 0.000 0.633 52 A CB -0.791 18.256 19.000 0.078 0.000 0.819 52 A HN 0.556 nan 8.150 nan 0.000 0.448 53 F N 0.886 120.875 119.950 0.065 0.000 2.102 53 F HA -0.172 4.352 4.527 -0.006 0.000 0.298 53 F C 1.880 177.583 175.800 -0.161 0.000 1.105 53 F CA 2.148 60.024 58.000 -0.206 0.000 1.239 53 F CB -0.360 38.531 39.000 -0.183 0.000 0.991 53 F HN 0.325 nan 8.300 nan 0.000 0.474 54 D N 0.208 120.655 120.400 0.079 0.000 2.104 54 D HA -0.183 4.453 4.640 -0.006 0.000 0.194 54 D C 2.127 178.384 176.300 -0.071 0.000 0.994 54 D CA 1.340 55.353 54.000 0.022 0.000 0.830 54 D CB -0.061 40.826 40.800 0.145 0.000 0.959 54 D HN 0.061 nan 8.370 nan 0.000 0.452 55 K N -0.085 120.284 120.400 -0.052 0.000 2.097 55 K HA -0.045 4.272 4.320 -0.006 0.000 0.206 55 K C 2.138 178.710 176.600 -0.046 0.000 1.049 55 K CA 1.154 57.421 56.287 -0.034 0.000 0.933 55 K CB -0.804 31.673 32.500 -0.038 0.000 0.717 55 K HN 0.267 nan 8.250 nan 0.000 0.442 56 G N 0.966 109.676 108.800 -0.149 0.000 2.414 56 G HA2 -0.193 3.764 3.960 -0.006 0.000 0.215 56 G HA3 -0.193 3.764 3.960 -0.006 0.000 0.215 56 G C 1.615 176.422 174.900 -0.155 0.000 1.188 56 G CA 0.719 45.719 45.100 -0.168 0.000 0.783 56 G HN 0.128 nan 8.290 nan 0.000 0.537 57 V N 1.566 121.266 119.914 -0.358 0.000 2.794 57 V HA -0.143 3.974 4.120 -0.006 0.000 0.260 57 V C 3.063 179.105 176.094 -0.086 0.000 1.103 57 V CA 1.828 63.960 62.300 -0.278 0.000 1.125 57 V CB -0.739 30.861 31.823 -0.372 0.000 0.702 57 V HN 0.529 nan 8.190 nan 0.000 0.494 58 A N -0.853 121.950 122.820 -0.028 0.000 1.831 58 A HA -0.183 4.133 4.320 -0.006 0.000 0.213 58 A C 1.881 179.513 177.584 0.080 0.000 1.223 58 A CA 1.225 53.282 52.037 0.033 0.000 0.604 58 A CB -1.049 17.982 19.000 0.052 0.000 0.878 58 A HN 0.597 nan 8.150 nan 0.000 0.450 59 W N 0.866 122.128 121.300 -0.063 0.000 2.276 59 W HA -0.292 4.365 4.660 -0.005 0.000 0.307 59 W C 1.731 178.220 176.519 -0.050 0.000 1.240 59 W CA 2.475 59.792 57.345 -0.047 0.000 1.249 59 W CB -0.234 29.197 29.460 -0.048 0.000 1.140 59 W HN 0.305 nan 8.180 nan 0.000 0.519 60 L N -0.686 120.635 121.223 0.162 0.000 2.034 60 L HA -0.201 4.136 4.340 -0.006 0.000 0.203 60 L C 2.655 179.466 176.870 -0.098 0.000 1.074 60 L CA 1.475 56.325 54.840 0.017 0.000 0.748 60 L CB -1.341 40.771 42.059 0.089 0.000 0.905 60 L HN -0.063 nan 8.230 nan 0.000 0.439 61 Q N -0.132 119.637 119.800 -0.052 0.000 2.308 61 Q HA -0.234 4.102 4.340 -0.006 0.000 0.209 61 Q C 1.919 177.872 176.000 -0.079 0.000 0.985 61 Q CA 1.383 57.158 55.803 -0.048 0.000 0.881 61 Q CB -0.199 28.531 28.738 -0.013 0.000 0.917 61 Q HN 0.476 nan 8.270 nan 0.000 0.443 62 N N -0.095 118.528 118.700 -0.129 0.000 2.176 62 N HA -0.137 4.599 4.740 -0.006 0.000 0.187 62 N C 1.576 176.931 175.510 -0.259 0.000 1.043 62 N CA 0.751 53.702 53.050 -0.165 0.000 0.851 62 N CB 0.152 38.538 38.487 -0.170 0.000 1.018 62 N HN 0.116 nan 8.380 nan 0.000 0.436 63 Q N 1.146 120.667 119.800 -0.465 0.000 2.197 63 Q HA -0.186 4.151 4.340 -0.006 0.000 0.211 63 Q C 2.087 177.912 176.000 -0.292 0.000 0.993 63 Q CA 1.390 56.883 55.803 -0.516 0.000 0.883 63 Q CB -0.472 27.787 28.738 -0.799 0.000 0.916 63 Q HN 0.505 nan 8.270 nan 0.000 0.418 64 R N -0.348 120.020 120.500 -0.221 0.000 2.061 64 R HA -0.039 4.297 4.340 -0.006 0.000 0.230 64 R C 2.311 178.537 176.300 -0.122 0.000 1.140 64 R CA 1.343 57.354 56.100 -0.149 0.000 0.940 64 R CB -0.471 29.764 30.300 -0.109 0.000 0.839 64 R HN 0.179 nan 8.270 nan 0.000 0.429 65 M N 1.039 120.583 119.600 -0.094 0.000 2.260 65 M HA -0.087 4.389 4.480 -0.006 0.000 0.261 65 M C 1.821 178.091 176.300 -0.050 0.000 1.066 65 M CA 1.728 56.999 55.300 -0.049 0.000 1.082 65 M CB -0.515 32.075 32.600 -0.016 0.000 1.388 65 M HN 0.245 nan 8.290 nan 0.000 0.419 66 G N -1.326 107.423 108.800 -0.084 0.000 2.421 66 G HA2 0.045 4.001 3.960 -0.006 0.000 0.217 66 G HA3 0.045 4.001 3.960 -0.006 0.000 0.217 66 G C 1.453 176.335 174.900 -0.030 0.000 1.143 66 G CA 0.623 45.687 45.100 -0.061 0.000 0.784 66 G HN 0.641 nan 8.290 nan 0.000 0.541 67 A N 0.236 123.012 122.820 -0.074 0.000 2.072 67 A HA 0.330 4.647 4.320 -0.006 0.000 0.216 67 A C 2.279 179.829 177.584 -0.057 0.000 1.156 67 A CA 0.368 52.361 52.037 -0.074 0.000 0.701 67 A CB -0.170 18.741 19.000 -0.148 0.000 0.816 67 A HN 0.323 nan 8.150 nan 0.000 0.458 68 L N -0.744 120.422 121.223 -0.095 0.000 2.093 68 L HA -0.109 4.227 4.340 -0.006 0.000 0.208 68 L C 2.428 179.271 176.870 -0.045 0.000 1.085 68 L CA 0.963 55.711 54.840 -0.153 0.000 0.755 68 L CB -0.487 41.408 42.059 -0.273 0.000 0.904 68 L HN 0.254 nan 8.230 nan 0.000 0.435 69 V N -0.797 119.125 119.914 0.013 0.000 2.379 69 V HA -0.269 3.847 4.120 -0.006 0.000 0.245 69 V C 2.493 178.624 176.094 0.062 0.000 1.044 69 V CA 1.430 63.759 62.300 0.048 0.000 1.036 69 V CB -0.769 31.081 31.823 0.044 0.000 0.664 69 V HN 0.516 nan 8.190 nan 0.000 0.453 70 H N 1.427 120.478 119.070 -0.032 0.000 2.518 70 H HA -0.135 4.417 4.556 -0.006 0.000 0.294 70 H C 1.548 176.863 175.328 -0.022 0.000 1.083 70 H CA 1.936 57.967 56.048 -0.028 0.000 1.264 70 H CB 0.080 29.818 29.762 -0.040 0.000 1.370 70 H HN 0.620 nan 8.280 nan 0.000 0.560 71 T N -3.940 110.708 114.554 0.156 0.000 3.399 71 T HA 0.517 4.863 4.350 -0.006 0.000 0.305 71 T C 1.640 176.373 174.700 0.055 0.000 0.983 71 T CA 0.205 62.370 62.100 0.109 0.000 0.967 71 T CB -0.123 68.807 68.868 0.102 0.000 1.186 71 T HN 0.265 nan 8.240 nan 0.000 0.504 72 A N 2.459 125.311 122.820 0.053 0.000 2.159 72 A HA -0.225 4.092 4.320 -0.006 0.000 0.222 72 A C 1.880 179.523 177.584 0.099 0.000 1.163 72 A CA 2.212 54.296 52.037 0.079 0.000 0.664 72 A CB -0.826 18.223 19.000 0.081 0.000 0.803 72 A HN 0.824 nan 8.150 nan 0.000 0.470 73 D N -0.160 120.284 120.400 0.074 0.000 2.084 73 D HA -0.098 4.538 4.640 -0.006 0.000 0.199 73 D C 0.928 177.291 176.300 0.104 0.000 0.981 73 D CA 0.843 54.889 54.000 0.077 0.000 0.841 73 D CB -0.646 40.183 40.800 0.049 0.000 0.997 73 D HN 0.250 nan 8.370 nan 0.000 0.454 74 N N -0.076 118.676 118.700 0.087 0.000 2.399 74 N HA -0.041 4.696 4.740 -0.006 0.000 0.259 74 N C -0.052 175.532 175.510 0.125 0.000 1.160 74 N CA -0.148 52.960 53.050 0.097 0.000 0.946 74 N CB -0.032 38.490 38.487 0.058 0.000 1.156 74 N HN 0.191 nan 8.380 nan 0.000 0.489 75 Y N 6.914 127.243 120.300 0.048 0.000 2.034 75 Y HA -0.048 4.499 4.550 -0.005 0.000 0.269 75 Y C -0.866 175.067 175.900 0.054 0.000 1.125 75 Y CA 1.883 60.025 58.100 0.071 0.000 1.097 75 Y CB -1.098 37.407 38.460 0.075 0.000 0.978 75 Y HN 0.486 nan 8.280 nan 0.000 0.480 76 P HA -0.237 nan 4.420 nan 0.000 0.217 76 P C 1.742 179.005 177.300 -0.063 0.000 1.151 76 P CA 1.782 64.895 63.100 0.022 0.000 0.849 76 P CB -0.227 31.527 31.700 0.090 0.000 0.787 77 L N -1.446 119.757 121.223 -0.033 0.000 2.042 77 L HA -0.177 4.159 4.340 -0.006 0.000 0.210 77 L C 1.951 178.757 176.870 -0.105 0.000 1.076 77 L CA 1.955 56.766 54.840 -0.048 0.000 0.749 77 L CB -1.450 40.600 42.059 -0.016 0.000 0.893 77 L HN -0.126 nan 8.230 nan 0.000 0.432 78 L N -0.828 120.294 121.223 -0.168 0.000 1.961 78 L HA -0.189 4.147 4.340 -0.006 0.000 0.210 78 L C 2.495 179.183 176.870 -0.305 0.000 1.072 78 L CA 1.849 56.521 54.840 -0.280 0.000 0.749 78 L CB -1.096 40.736 42.059 -0.377 0.000 0.889 78 L HN 0.214 nan 8.230 nan 0.000 0.432 79 L N -1.266 119.762 121.223 -0.324 0.000 2.151 79 L HA -0.328 4.009 4.340 -0.006 0.000 0.215 79 L C 2.341 179.161 176.870 -0.083 0.000 1.084 79 L CA 1.645 56.371 54.840 -0.190 0.000 0.764 79 L CB -1.043 40.911 42.059 -0.174 0.000 0.891 79 L HN 0.375 nan 8.230 nan 0.000 0.435 80 T N -0.394 114.102 114.554 -0.096 0.000 2.643 80 T HA -0.140 4.207 4.350 -0.006 0.000 0.256 80 T C 1.893 176.599 174.700 0.010 0.000 1.061 80 T CA 1.620 63.693 62.100 -0.045 0.000 1.163 80 T CB -0.329 68.501 68.868 -0.063 0.000 0.865 80 T HN 0.343 nan 8.240 nan 0.000 0.407 81 V N 0.970 120.853 119.914 -0.051 0.000 2.794 81 V HA -0.067 4.050 4.120 -0.006 0.000 0.260 81 V C 2.399 178.453 176.094 -0.066 0.000 1.103 81 V CA 1.558 63.825 62.300 -0.055 0.000 1.125 81 V CB -1.528 30.236 31.823 -0.097 0.000 0.702 81 V HN 0.450 nan 8.190 nan 0.000 0.494 82 A N 0.221 122.984 122.820 -0.095 0.000 1.855 82 A HA 0.008 4.325 4.320 -0.006 0.000 0.213 82 A C 2.030 179.623 177.584 0.014 0.000 1.195 82 A CA 1.543 53.518 52.037 -0.104 0.000 0.610 82 A CB -0.805 18.084 19.000 -0.185 0.000 0.837 82 A HN 0.652 nan 8.150 nan 0.000 0.444 83 F N 0.708 120.614 119.950 -0.073 0.000 2.102 83 F HA -0.113 4.410 4.527 -0.007 0.000 0.298 83 F C 1.936 177.720 175.800 -0.027 0.000 1.105 83 F CA 1.347 59.328 58.000 -0.032 0.000 1.239 83 F CB -0.269 38.716 39.000 -0.025 0.000 0.991 83 F HN 0.100 nan 8.300 nan 0.000 0.474 84 L N -0.434 120.998 121.223 0.349 0.000 1.943 84 L HA -0.321 4.016 4.340 -0.006 0.000 0.215 84 L C 2.804 179.685 176.870 0.018 0.000 1.074 84 L CA 2.148 57.110 54.840 0.204 0.000 0.759 84 L CB -1.425 40.719 42.059 0.142 0.000 0.888 84 L HN 0.334 nan 8.230 nan 0.000 0.433 85 C N -0.422 118.873 119.300 -0.008 0.000 2.392 85 C HA -0.229 4.228 4.460 -0.006 0.000 0.276 85 C C 3.183 178.141 174.990 -0.054 0.000 1.212 85 C CA 1.577 60.569 59.018 -0.042 0.000 1.791 85 C CB -0.658 27.042 27.740 -0.066 0.000 2.063 85 C HN 0.547 nan 8.230 nan 0.000 0.481 86 S N -0.363 115.287 115.700 -0.083 0.000 2.406 86 S HA 0.045 4.512 4.470 -0.006 0.000 0.224 86 S C 2.090 176.617 174.600 -0.123 0.000 1.030 86 S CA 0.943 59.086 58.200 -0.094 0.000 0.958 86 S CB -0.303 62.829 63.200 -0.112 0.000 0.811 86 S HN 0.741 nan 8.310 nan 0.000 0.489 87 A N 1.203 123.884 122.820 -0.232 0.000 1.902 87 A HA -0.038 4.279 4.320 -0.006 0.000 0.217 87 A C 2.215 179.764 177.584 -0.058 0.000 1.181 87 A CA 1.377 53.268 52.037 -0.243 0.000 0.623 87 A CB -0.850 17.931 19.000 -0.365 0.000 0.818 87 A HN 0.339 nan 8.150 nan 0.000 0.443 88 V N -0.012 119.891 119.914 -0.019 0.000 2.759 88 V HA -0.198 3.918 4.120 -0.006 0.000 0.256 88 V C 2.401 178.544 176.094 0.082 0.000 1.080 88 V CA 1.632 63.952 62.300 0.034 0.000 1.101 88 V CB -0.619 31.214 31.823 0.017 0.000 0.698 88 V HN 0.532 nan 8.190 nan 0.000 0.477 89 L N -0.376 120.886 121.223 0.066 0.000 2.102 89 L HA 0.034 4.370 4.340 -0.006 0.000 0.202 89 L C 2.756 179.759 176.870 0.222 0.000 1.076 89 L CA 1.206 56.119 54.840 0.122 0.000 0.761 89 L CB -0.784 41.314 42.059 0.065 0.000 0.921 89 L HN 0.311 nan 8.230 nan 0.000 0.444 90 A N 0.131 123.052 122.820 0.169 0.000 1.892 90 A HA -0.274 4.042 4.320 -0.006 0.000 0.218 90 A C 2.308 180.107 177.584 0.358 0.000 1.188 90 A CA 1.948 54.143 52.037 0.263 0.000 0.631 90 A CB -0.540 18.561 19.000 0.168 0.000 0.822 90 A HN 0.306 nan 8.150 nan 0.000 0.447 91 M N -2.119 117.614 119.600 0.221 0.000 2.084 91 M HA -0.140 4.337 4.480 -0.006 0.000 0.259 91 M C 2.148 178.642 176.300 0.323 0.000 1.072 91 M CA 2.232 57.661 55.300 0.215 0.000 1.107 91 M CB -0.551 32.122 32.600 0.121 0.000 1.299 91 M HN 0.545 nan 8.290 nan 0.000 0.413 92 F N 0.875 120.927 119.950 0.170 0.000 2.271 92 F HA -0.174 4.349 4.527 -0.006 0.000 0.302 92 F C 1.830 177.791 175.800 0.267 0.000 1.063 92 F CA 1.600 59.726 58.000 0.209 0.000 1.362 92 F CB -0.541 38.546 39.000 0.144 0.000 1.060 92 F HN 0.073 nan 8.300 nan 0.000 0.521 93 G N -0.897 108.106 108.800 0.338 0.000 2.456 93 G HA2 -0.250 3.707 3.960 -0.006 0.000 0.213 93 G HA3 -0.250 3.707 3.960 -0.006 0.000 0.213 93 G C 1.275 176.230 174.900 0.091 0.000 1.215 93 G CA 0.702 45.918 45.100 0.193 0.000 0.805 93 G HN 0.417 nan 8.290 nan 0.000 0.537 94 Y N 0.102 120.439 120.300 0.061 0.000 2.193 94 Y HA -0.087 4.460 4.550 -0.006 0.000 0.285 94 Y C 2.322 178.188 175.900 -0.056 0.000 1.166 94 Y CA 1.190 59.285 58.100 -0.010 0.000 1.181 94 Y CB -0.615 37.883 38.460 0.063 0.000 0.976 94 Y HN 0.257 nan 8.280 nan 0.000 0.520 95 F N 0.203 120.173 119.950 0.033 0.000 1.988 95 F HA -0.307 4.217 4.527 -0.006 0.000 0.296 95 F C 2.136 177.883 175.800 -0.089 0.000 1.178 95 F CA 1.643 59.610 58.000 -0.054 0.000 1.174 95 F CB -0.632 38.329 39.000 -0.065 0.000 0.963 95 F HN -0.132 nan 8.300 nan 0.000 0.489 96 L N 0.129 121.165 121.223 -0.311 0.000 2.171 96 L HA -0.329 4.007 4.340 -0.006 0.000 0.216 96 L C 2.165 178.907 176.870 -0.213 0.000 1.084 96 L CA 1.320 55.971 54.840 -0.315 0.000 0.771 96 L CB -1.108 40.769 42.059 -0.304 0.000 0.890 96 L HN 0.244 nan 8.230 nan 0.000 0.437 97 V N -0.447 119.331 119.914 -0.226 0.000 2.239 97 V HA -0.194 3.922 4.120 -0.006 0.000 0.242 97 V C 2.572 178.479 176.094 -0.313 0.000 1.038 97 V CA 1.586 63.740 62.300 -0.243 0.000 1.002 97 V CB -0.521 31.131 31.823 -0.286 0.000 0.641 97 V HN 0.425 nan 8.190 nan 0.000 0.449 98 R N 0.324 120.584 120.500 -0.400 0.000 2.115 98 R HA -0.127 4.210 4.340 -0.006 0.000 0.230 98 R C 2.130 178.198 176.300 -0.386 0.000 1.111 98 R CA 1.137 56.966 56.100 -0.451 0.000 0.976 98 R CB -0.449 29.544 30.300 -0.512 0.000 0.870 98 R HN 0.403 nan 8.270 nan 0.000 0.445 99 K N 0.815 120.918 120.400 -0.495 0.000 1.974 99 K HA -0.108 4.209 4.320 -0.006 0.000 0.211 99 K C 1.672 177.911 176.600 -0.601 0.000 1.039 99 K CA 1.637 57.512 56.287 -0.687 0.000 0.947 99 K CB -0.365 31.382 32.500 -1.255 0.000 0.735 99 K HN 0.151 nan 8.250 nan 0.000 0.441 100 Y N -1.186 118.909 120.300 -0.341 0.000 2.500 100 Y HA 0.456 5.002 4.550 -0.006 0.000 0.270 100 Y C -0.031 175.764 175.900 -0.175 0.000 1.134 100 Y CA -0.085 57.885 58.100 -0.216 0.000 1.293 100 Y CB 0.780 39.127 38.460 -0.189 0.000 1.063 100 Y HN 0.130 nan 8.280 nan 0.000 0.534 101 A N -0.131 122.652 122.820 -0.063 0.000 2.686 101 A HA 0.402 4.719 4.320 -0.006 0.000 0.299 101 A C -2.558 174.939 177.584 -0.147 0.000 1.151 101 A CA -0.930 51.049 52.037 -0.097 0.000 0.851 101 A CB 0.415 19.361 19.000 -0.090 0.000 1.448 101 A HN -0.073 nan 8.150 nan 0.000 0.404 102 P HA -0.091 nan 4.420 nan 0.000 0.231 102 P C 0.874 178.085 177.300 -0.149 0.000 1.158 102 P CA 1.293 64.279 63.100 -0.189 0.000 0.763 102 P CB 0.306 31.905 31.700 -0.168 0.000 0.805 103 E N -0.250 119.876 120.200 -0.124 0.000 2.170 103 E HA 0.023 4.370 4.350 -0.006 0.000 0.191 103 E C 2.081 178.617 176.600 -0.107 0.000 0.981 103 E CA 0.727 57.064 56.400 -0.105 0.000 0.830 103 E CB -0.818 28.822 29.700 -0.101 0.000 0.775 103 E HN 0.097 nan 8.360 nan 0.000 0.470 104 A N 2.127 124.876 122.820 -0.119 0.000 1.978 104 A HA -0.044 4.273 4.320 -0.006 0.000 0.220 104 A C 1.722 179.237 177.584 -0.115 0.000 1.170 104 A CA 1.240 53.212 52.037 -0.109 0.000 0.636 104 A CB -1.252 17.683 19.000 -0.107 0.000 0.810 104 A HN 0.283 nan 8.150 nan 0.000 0.448 105 G N -2.067 106.646 108.800 -0.145 0.000 2.750 105 G HA2 0.508 4.464 3.960 -0.006 0.000 0.250 105 G HA3 0.508 4.464 3.960 -0.006 0.000 0.250 105 G C 0.898 175.740 174.900 -0.096 0.000 1.230 105 G CA 0.160 45.170 45.100 -0.150 0.000 0.883 105 G HN 1.691 nan 8.290 nan 0.000 0.573 106 G N -0.792 107.949 108.800 -0.098 0.000 2.697 106 G HA2 -0.107 3.849 3.960 -0.006 0.000 0.240 106 G HA3 -0.107 3.849 3.960 -0.006 0.000 0.240 106 G C 1.332 176.315 174.900 0.139 0.000 1.346 106 G CA 0.761 45.795 45.100 -0.110 0.000 0.887 106 G HN 1.650 nan 8.290 nan 0.000 0.569 107 S N -0.851 115.089 115.700 0.400 0.000 2.380 107 S HA 0.205 4.671 4.470 -0.006 0.000 0.217 107 S C 2.413 177.055 174.600 0.071 0.000 1.036 107 S CA 3.500 61.927 58.200 0.379 0.000 1.050 107 S CB -0.742 62.632 63.200 0.289 0.000 1.016 107 S HN 2.848 nan 8.310 nan 0.000 0.419 108 G N -0.614 108.175 108.800 -0.019 0.000 2.229 108 G HA2 -0.145 3.811 3.960 -0.006 0.000 0.189 108 G HA3 -0.145 3.811 3.960 -0.006 0.000 0.189 108 G C 0.776 175.609 174.900 -0.111 0.000 1.000 108 G CA 0.296 45.353 45.100 -0.071 0.000 0.663 108 G HN 0.502 nan 8.290 nan 0.000 0.493 109 I N 1.111 121.570 120.570 -0.185 0.000 2.339 109 I HA 0.031 4.197 4.170 -0.006 0.000 0.245 109 I C -0.010 175.996 176.117 -0.185 0.000 1.096 109 I CA 0.894 62.068 61.300 -0.211 0.000 1.408 109 I CB -0.380 37.385 38.000 -0.392 0.000 1.092 109 I HN 0.048 nan 8.210 nan 0.000 0.423 110 P HA -0.191 nan 4.420 nan 0.000 0.216 110 P C 1.264 178.530 177.300 -0.057 0.000 1.150 110 P CA 1.309 64.345 63.100 -0.106 0.000 0.843 110 P CB -0.019 31.638 31.700 -0.072 0.000 0.787 111 E N -0.849 119.311 120.200 -0.067 0.000 2.110 111 E HA -0.126 4.220 4.350 -0.006 0.000 0.193 111 E C 1.948 178.520 176.600 -0.045 0.000 0.988 111 E CA 0.998 57.367 56.400 -0.052 0.000 0.804 111 E CB -0.586 29.075 29.700 -0.065 0.000 0.745 111 E HN 0.279 nan 8.360 nan 0.000 0.458 112 I N 0.627 121.166 120.570 -0.052 0.000 2.480 112 I HA -0.111 4.056 4.170 -0.006 0.000 0.251 112 I C 2.341 178.441 176.117 -0.028 0.000 1.124 112 I CA 0.655 61.931 61.300 -0.040 0.000 1.444 112 I CB -0.817 37.158 38.000 -0.043 0.000 1.098 112 I HN 0.150 nan 8.210 nan 0.000 0.428 113 E N 1.110 121.291 120.200 -0.032 0.000 2.153 113 E HA -0.171 4.175 4.350 -0.006 0.000 0.194 113 E C 2.260 178.863 176.600 0.005 0.000 0.988 113 E CA 1.252 57.639 56.400 -0.022 0.000 0.811 113 E CB -0.054 29.640 29.700 -0.011 0.000 0.746 113 E HN 0.485 nan 8.360 nan 0.000 0.466 114 G N 0.643 109.447 108.800 0.007 0.000 2.394 114 G HA2 -0.216 3.741 3.960 -0.006 0.000 0.214 114 G HA3 -0.216 3.741 3.960 -0.006 0.000 0.214 114 G C 1.654 176.568 174.900 0.023 0.000 1.176 114 G CA 0.742 45.855 45.100 0.021 0.000 0.786 114 G HN 0.377 nan 8.290 nan 0.000 0.533 115 A N 0.490 123.315 122.820 0.008 0.000 2.032 115 A HA 0.026 4.342 4.320 -0.006 0.000 0.221 115 A C 2.391 179.995 177.584 0.033 0.000 1.165 115 A CA 1.258 53.302 52.037 0.011 0.000 0.645 115 A CB -0.369 18.626 19.000 -0.009 0.000 0.807 115 A HN 0.378 nan 8.150 nan 0.000 0.453 116 L N -0.757 120.493 121.223 0.044 0.000 2.141 116 L HA -0.098 4.238 4.340 -0.006 0.000 0.209 116 L C 1.924 178.882 176.870 0.146 0.000 1.094 116 L CA 0.934 55.834 54.840 0.100 0.000 0.763 116 L CB -0.323 41.768 42.059 0.053 0.000 0.908 116 L HN 0.368 nan 8.230 nan 0.000 0.437 117 E N -0.259 119.997 120.200 0.092 0.000 2.494 117 E HA -0.106 4.241 4.350 -0.006 0.000 0.193 117 E C -0.038 176.620 176.600 0.097 0.000 1.074 117 E CA 0.151 56.609 56.400 0.096 0.000 0.867 117 E CB 0.054 29.802 29.700 0.081 0.000 0.924 117 E HN 0.377 nan 8.360 nan 0.000 0.502 118 D N 0.109 120.565 120.400 0.093 0.000 3.006 118 D HA -0.216 4.421 4.640 -0.006 0.000 0.208 118 D C 0.962 177.290 176.300 0.046 0.000 1.116 118 D CA 0.788 54.828 54.000 0.065 0.000 0.998 118 D CB -0.526 40.324 40.800 0.084 0.000 1.124 118 D HN 0.267 nan 8.370 nan 0.000 0.413 119 Q N -0.275 119.552 119.800 0.044 0.000 2.472 119 Q HA 0.040 4.377 4.340 -0.006 0.000 0.208 119 Q C 0.843 176.856 176.000 0.021 0.000 0.958 119 Q CA 0.927 56.749 55.803 0.032 0.000 0.932 119 Q CB 0.451 29.208 28.738 0.033 0.000 1.007 119 Q HN 0.385 nan 8.270 nan 0.000 0.508 120 R N 0.280 120.790 120.500 0.017 0.000 2.808 120 R HA 0.546 4.883 4.340 -0.006 0.000 0.272 120 R C -2.499 173.802 176.300 0.001 0.000 0.995 120 R CA -1.864 54.238 56.100 0.004 0.000 0.917 120 R CB 0.915 31.211 30.300 -0.007 0.000 1.217 120 R HN -0.085 nan 8.270 nan 0.000 0.471 121 P HA 0.353 nan 4.420 nan 0.000 0.293 121 P C -0.572 176.696 177.300 -0.054 0.000 1.291 121 P CA -0.598 62.496 63.100 -0.010 0.000 0.867 121 P CB 1.505 33.208 31.700 0.006 0.000 1.074 122 V N 3.564 123.445 119.914 -0.055 0.000 2.180 122 V HA 0.225 4.341 4.120 -0.006 0.000 0.265 122 V C 1.004 176.928 176.094 -0.283 0.000 1.214 122 V CA -0.471 61.773 62.300 -0.094 0.000 1.130 122 V CB -0.667 31.156 31.823 -0.001 0.000 1.266 122 V HN 0.419 nan 8.190 nan 0.000 0.473 123 R N 3.754 123.949 120.500 -0.509 0.000 2.609 123 R HA 0.058 4.394 4.340 -0.006 0.000 0.271 123 R C 1.220 176.768 176.300 -1.252 0.000 1.403 123 R CA -0.187 55.123 56.100 -1.317 0.000 1.138 123 R CB 0.171 29.948 30.300 -0.872 0.000 1.142 123 R HN 0.902 nan 8.270 nan 0.000 0.559 124 W N 2.413 123.086 121.300 -1.045 0.000 2.476 124 W HA -0.131 4.525 4.660 -0.006 0.000 0.281 124 W C 0.753 177.013 176.519 -0.430 0.000 1.230 124 W CA 0.078 57.101 57.345 -0.538 0.000 1.287 124 W CB -0.874 28.432 29.460 -0.257 0.000 1.108 124 W HN 0.535 nan 8.180 nan 0.000 0.567 125 W N 2.084 122.919 121.300 -0.774 0.000 2.389 125 W HA 0.011 4.667 4.660 -0.005 0.000 0.267 125 W C 1.919 178.316 176.519 -0.202 0.000 1.219 125 W CA 1.356 58.333 57.345 -0.614 0.000 1.189 125 W CB -1.243 27.702 29.460 -0.857 0.000 1.129 125 W HN -0.182 nan 8.180 nan 0.000 0.581 126 R N 0.309 120.500 120.500 -0.515 0.000 2.013 126 R HA 0.072 4.409 4.340 -0.006 0.000 0.198 126 R C 2.309 178.515 176.300 -0.157 0.000 1.407 126 R CA 0.787 56.751 56.100 -0.227 0.000 1.140 126 R CB -0.883 29.270 30.300 -0.245 0.000 1.011 126 R HN 0.036 nan 8.270 nan 0.000 0.472 127 V N 2.843 122.625 119.914 -0.220 0.000 2.277 127 V HA -0.330 3.787 4.120 -0.006 0.000 0.253 127 V C 2.494 178.565 176.094 -0.039 0.000 1.067 127 V CA 1.908 64.133 62.300 -0.124 0.000 1.047 127 V CB -0.669 31.065 31.823 -0.149 0.000 0.649 127 V HN 0.298 nan 8.190 nan 0.000 0.447 128 L N 0.341 121.564 121.223 -0.000 0.000 1.941 128 L HA -0.169 4.168 4.340 -0.006 0.000 0.224 128 L C 0.552 177.467 176.870 0.075 0.000 1.081 128 L CA 2.699 57.562 54.840 0.037 0.000 0.784 128 L CB -2.231 39.875 42.059 0.078 0.000 0.894 128 L HN 0.365 nan 8.230 nan 0.000 0.436 129 P HA -0.131 nan 4.420 nan 0.000 0.215 129 P C 1.900 179.369 177.300 0.281 0.000 1.153 129 P CA 1.518 64.759 63.100 0.234 0.000 0.853 129 P CB -0.011 31.798 31.700 0.182 0.000 0.788 130 V N 0.791 120.767 119.914 0.103 0.000 2.261 130 V HA -0.214 3.902 4.120 -0.006 0.000 0.246 130 V C 2.833 178.982 176.094 0.091 0.000 1.047 130 V CA 2.249 64.584 62.300 0.058 0.000 1.015 130 V CB -1.189 30.612 31.823 -0.036 0.000 0.642 130 V HN 0.076 nan 8.190 nan 0.000 0.446 131 K N -0.064 120.367 120.400 0.052 0.000 2.032 131 K HA -0.192 4.124 4.320 -0.006 0.000 0.209 131 K C 1.846 178.499 176.600 0.088 0.000 1.048 131 K CA 1.764 58.064 56.287 0.021 0.000 0.927 131 K CB -0.689 31.789 32.500 -0.038 0.000 0.712 131 K HN 0.378 nan 8.250 nan 0.000 0.441 132 F N -0.214 119.715 119.950 -0.035 0.000 1.982 132 F HA -0.199 4.325 4.527 -0.005 0.000 0.296 132 F C 1.762 177.600 175.800 0.062 0.000 1.199 132 F CA 1.934 59.912 58.000 -0.035 0.000 1.174 132 F CB -0.597 38.268 39.000 -0.226 0.000 0.963 132 F HN 0.011 nan 8.300 nan 0.000 0.495 133 F N 0.947 121.155 119.950 0.430 0.000 2.154 133 F HA -0.127 4.396 4.527 -0.006 0.000 0.301 133 F C 2.645 178.602 175.800 0.263 0.000 1.087 133 F CA 1.476 59.665 58.000 0.315 0.000 1.274 133 F CB -1.550 37.687 39.000 0.395 0.000 1.009 133 F HN 0.158 nan 8.300 nan 0.000 0.485 134 G N -0.727 108.261 108.800 0.313 0.000 2.471 134 G HA2 -0.063 3.894 3.960 -0.006 0.000 0.219 134 G HA3 -0.063 3.894 3.960 -0.006 0.000 0.219 134 G C 1.951 176.950 174.900 0.165 0.000 1.125 134 G CA 0.813 46.016 45.100 0.172 0.000 0.775 134 G HN 0.537 nan 8.290 nan 0.000 0.548 135 G N 0.872 109.785 108.800 0.189 0.000 2.417 135 G HA2 0.018 3.975 3.960 -0.006 0.000 0.212 135 G HA3 0.018 3.975 3.960 -0.006 0.000 0.212 135 G C 1.647 176.633 174.900 0.144 0.000 1.187 135 G CA 0.550 45.800 45.100 0.251 0.000 0.804 135 G HN 0.288 nan 8.290 nan 0.000 0.534 136 L N 1.830 123.018 121.223 -0.059 0.000 2.021 136 L HA -0.032 4.304 4.340 -0.006 0.000 0.215 136 L C 3.075 179.926 176.870 -0.032 0.000 1.074 136 L CA 1.982 56.653 54.840 -0.282 0.000 0.760 136 L CB -1.025 40.847 42.059 -0.311 0.000 0.889 136 L HN 0.261 nan 8.230 nan 0.000 0.433 137 G N -1.323 107.561 108.800 0.139 0.000 2.446 137 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.217 137 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.217 137 G C 1.573 176.566 174.900 0.154 0.000 1.168 137 G CA 1.445 46.670 45.100 0.209 0.000 0.771 137 G HN 0.478 nan 8.290 nan 0.000 0.551 138 T N 0.277 114.918 114.554 0.146 0.000 2.857 138 T HA 0.061 4.408 4.350 -0.006 0.000 0.266 138 T C 2.239 176.995 174.700 0.093 0.000 1.048 138 T CA 0.694 62.871 62.100 0.128 0.000 1.139 138 T CB -0.094 68.835 68.868 0.101 0.000 0.874 138 T HN 0.013 nan 8.240 nan 0.000 0.455 139 L N 1.545 122.805 121.223 0.063 0.000 2.068 139 L HA 0.246 4.582 4.340 -0.006 0.000 0.204 139 L C 3.071 179.940 176.870 -0.002 0.000 1.076 139 L CA 1.960 56.817 54.840 0.028 0.000 0.753 139 L CB -1.952 40.104 42.059 -0.004 0.000 0.910 139 L HN 0.449 nan 8.230 nan 0.000 0.439 140 G N -0.218 108.564 108.800 -0.030 0.000 2.485 140 G HA2 -0.233 3.723 3.960 -0.006 0.000 0.221 140 G HA3 -0.233 3.723 3.960 -0.006 0.000 0.221 140 G C 1.586 176.486 174.900 0.000 0.000 1.115 140 G CA 0.858 45.944 45.100 -0.023 0.000 0.751 140 G HN 0.500 nan 8.290 nan 0.000 0.567 141 G N -0.080 108.734 108.800 0.023 0.000 2.448 141 G HA2 0.274 4.230 3.960 -0.006 0.000 0.219 141 G HA3 0.274 4.230 3.960 -0.006 0.000 0.219 141 G C 1.348 176.257 174.900 0.016 0.000 1.127 141 G CA 0.965 46.078 45.100 0.022 0.000 0.766 141 G HN 1.556 nan 8.290 nan 0.000 0.552 142 G N -1.033 107.784 108.800 0.028 0.000 2.144 142 G HA2 -0.245 3.712 3.960 -0.006 0.000 0.218 142 G HA3 -0.245 3.712 3.960 -0.006 0.000 0.218 142 G C 0.474 175.402 174.900 0.046 0.000 0.988 142 G CA 0.195 45.315 45.100 0.033 0.000 0.659 142 G HN 0.426 nan 8.290 nan 0.000 0.522 143 M N 0.090 119.725 119.600 0.059 0.000 2.219 143 M HA 0.275 4.751 4.480 -0.006 0.000 0.307 143 M C 1.174 177.517 176.300 0.072 0.000 1.116 143 M CA 0.207 55.553 55.300 0.077 0.000 1.181 143 M CB 0.608 33.274 32.600 0.111 0.000 1.410 143 M HN -0.089 nan 8.290 nan 0.000 0.454 144 V N 4.034 123.999 119.914 0.084 0.000 2.055 144 V HA 0.204 4.321 4.120 -0.006 0.000 0.248 144 V C -0.180 175.968 176.094 0.089 0.000 1.476 144 V CA 0.304 62.648 62.300 0.073 0.000 1.417 144 V CB -1.589 30.282 31.823 0.081 0.000 1.465 144 V HN 0.488 nan 8.190 nan 0.000 0.502 145 L N 1.690 122.956 121.223 0.071 0.000 2.455 145 L HA 0.698 5.035 4.340 -0.006 0.000 0.264 145 L C 0.949 177.841 176.870 0.038 0.000 0.968 145 L CA -0.577 54.311 54.840 0.079 0.000 0.827 145 L CB 1.955 44.089 42.059 0.125 0.000 1.317 145 L HN 0.475 nan 8.230 nan 0.000 0.407 146 G N 0.821 109.637 108.800 0.027 0.000 2.447 146 G HA2 0.238 4.195 3.960 -0.006 0.000 0.269 146 G HA3 0.238 4.195 3.960 -0.006 0.000 0.269 146 G C 0.467 175.378 174.900 0.018 0.000 1.455 146 G CA -0.018 45.091 45.100 0.015 0.000 1.061 146 G HN 0.763 nan 8.290 nan 0.000 0.545 147 R N -1.625 118.853 120.500 -0.036 0.000 2.576 147 R HA 0.132 4.469 4.340 -0.006 0.000 0.237 147 R C 2.288 178.447 176.300 -0.235 0.000 0.917 147 R CA 0.223 56.281 56.100 -0.069 0.000 1.002 147 R CB 0.406 30.703 30.300 -0.004 0.000 1.428 147 R HN 0.504 nan 8.270 nan 0.000 0.603 148 E N 0.776 120.794 120.200 -0.302 0.000 2.033 148 E HA -0.170 4.176 4.350 -0.006 0.000 0.199 148 E C 1.898 178.341 176.600 -0.262 0.000 1.011 148 E CA 1.726 57.891 56.400 -0.391 0.000 0.815 148 E CB -0.842 28.612 29.700 -0.410 0.000 0.755 148 E HN 0.347 nan 8.360 nan 0.000 0.451 149 G N 1.731 110.437 108.800 -0.157 0.000 2.672 149 G HA2 -0.273 3.683 3.960 -0.006 0.000 0.218 149 G HA3 -0.273 3.683 3.960 -0.006 0.000 0.218 149 G C -0.741 174.053 174.900 -0.176 0.000 1.238 149 G CA 1.471 46.500 45.100 -0.118 0.000 0.791 149 G HN 0.289 nan 8.290 nan 0.000 0.606 150 P HA -0.121 nan 4.420 nan 0.000 0.217 150 P C 2.262 179.306 177.300 -0.426 0.000 1.151 150 P CA 2.660 65.538 63.100 -0.369 0.000 0.849 150 P CB -0.284 31.069 31.700 -0.579 0.000 0.787 151 T N -4.880 109.426 114.554 -0.413 0.000 3.035 151 T HA 0.030 4.376 4.350 -0.006 0.000 0.259 151 T C 1.768 176.335 174.700 -0.221 0.000 1.078 151 T CA 0.420 62.324 62.100 -0.326 0.000 1.132 151 T CB -1.198 67.490 68.868 -0.301 0.000 0.900 151 T HN -0.140 nan 8.240 nan 0.000 0.480 152 V N 1.666 121.454 119.914 -0.210 0.000 2.358 152 V HA -0.155 3.961 4.120 -0.006 0.000 0.246 152 V C 2.885 178.911 176.094 -0.113 0.000 1.047 152 V CA 2.074 64.288 62.300 -0.143 0.000 1.035 152 V CB -0.740 31.012 31.823 -0.119 0.000 0.658 152 V HN 0.528 nan 8.190 nan 0.000 0.452 153 Q N -0.044 119.679 119.800 -0.129 0.000 1.994 153 Q HA -0.139 4.197 4.340 -0.006 0.000 0.198 153 Q C 2.249 178.186 176.000 -0.106 0.000 0.976 153 Q CA 1.928 57.666 55.803 -0.108 0.000 0.828 153 Q CB -0.210 28.461 28.738 -0.111 0.000 0.894 153 Q HN 0.579 nan 8.270 nan 0.000 0.432 154 I N 0.784 121.278 120.570 -0.127 0.000 2.300 154 I HA -0.289 3.877 4.170 -0.006 0.000 0.252 154 I C 2.199 178.255 176.117 -0.101 0.000 1.119 154 I CA 1.104 62.341 61.300 -0.104 0.000 1.384 154 I CB -0.716 37.215 38.000 -0.115 0.000 1.062 154 I HN 0.460 nan 8.210 nan 0.000 0.426 155 G N 0.681 109.414 108.800 -0.111 0.000 2.511 155 G HA2 -0.232 3.724 3.960 -0.006 0.000 0.216 155 G HA3 -0.232 3.724 3.960 -0.006 0.000 0.216 155 G C 1.691 176.540 174.900 -0.086 0.000 1.218 155 G CA 0.937 45.979 45.100 -0.096 0.000 0.788 155 G HN 0.481 nan 8.290 nan 0.000 0.560 156 G N 1.043 109.798 108.800 -0.076 0.000 2.459 156 G HA2 -0.281 3.676 3.960 -0.006 0.000 0.217 156 G HA3 -0.281 3.676 3.960 -0.006 0.000 0.217 156 G C 1.701 176.559 174.900 -0.071 0.000 1.183 156 G CA 1.232 46.293 45.100 -0.065 0.000 0.776 156 G HN 0.468 nan 8.290 nan 0.000 0.552 157 N N 0.367 119.029 118.700 -0.064 0.000 2.430 157 N HA -0.064 4.672 4.740 -0.006 0.000 0.186 157 N C 1.905 177.334 175.510 -0.135 0.000 1.032 157 N CA 0.565 53.589 53.050 -0.043 0.000 0.893 157 N CB -0.012 38.475 38.487 0.001 0.000 0.957 157 N HN 0.264 nan 8.380 nan 0.000 0.442 158 I N -0.485 120.000 120.570 -0.142 0.000 2.333 158 I HA -0.007 4.160 4.170 -0.006 0.000 0.246 158 I C 2.351 178.351 176.117 -0.196 0.000 1.106 158 I CA 0.835 62.022 61.300 -0.189 0.000 1.411 158 I CB -1.503 36.415 38.000 -0.137 0.000 1.082 158 I HN 0.130 nan 8.210 nan 0.000 0.420 159 G N 1.057 109.776 108.800 -0.135 0.000 2.480 159 G HA2 -0.326 3.631 3.960 -0.006 0.000 0.216 159 G HA3 -0.326 3.631 3.960 -0.006 0.000 0.216 159 G C 1.832 176.660 174.900 -0.121 0.000 1.200 159 G CA 0.962 45.998 45.100 -0.106 0.000 0.782 159 G HN 0.185 nan 8.290 nan 0.000 0.554 160 R N 0.242 120.672 120.500 -0.116 0.000 2.103 160 R HA 0.004 4.340 4.340 -0.006 0.000 0.242 160 R C 2.525 178.679 176.300 -0.244 0.000 1.142 160 R CA 1.842 57.891 56.100 -0.085 0.000 0.960 160 R CB -0.793 29.523 30.300 0.026 0.000 0.858 160 R HN 0.420 nan 8.270 nan 0.000 0.439 161 M N 0.094 119.327 119.600 -0.612 0.000 2.279 161 M HA -0.129 4.347 4.480 -0.006 0.000 0.264 161 M C 1.613 177.602 176.300 -0.519 0.000 1.062 161 M CA 1.950 56.581 55.300 -1.115 0.000 1.099 161 M CB 0.076 31.802 32.600 -1.457 0.000 1.394 161 M HN 0.173 nan 8.290 nan 0.000 0.426 162 V N -2.129 117.636 119.914 -0.248 0.000 2.599 162 V HA -0.103 4.014 4.120 -0.006 0.000 0.245 162 V C 2.108 178.244 176.094 0.069 0.000 1.046 162 V CA 0.721 63.010 62.300 -0.018 0.000 1.065 162 V CB -1.091 30.766 31.823 0.057 0.000 0.703 162 V HN 0.476 nan 8.190 nan 0.000 0.464 163 L N 1.848 123.074 121.223 0.004 0.000 2.043 163 L HA -0.141 4.196 4.340 -0.006 0.000 0.212 163 L C 2.065 178.976 176.870 0.068 0.000 1.075 163 L CA 2.494 57.360 54.840 0.043 0.000 0.752 163 L CB -1.122 40.945 42.059 0.014 0.000 0.891 163 L HN 0.348 nan 8.230 nan 0.000 0.432 164 D N -0.358 120.073 120.400 0.052 0.000 2.084 164 D HA -0.130 4.506 4.640 -0.006 0.000 0.199 164 D C 2.326 178.656 176.300 0.050 0.000 0.981 164 D CA 1.714 55.776 54.000 0.103 0.000 0.841 164 D CB -0.312 40.635 40.800 0.245 0.000 0.997 164 D HN 0.386 nan 8.370 nan 0.000 0.454 165 I N 0.471 121.022 120.570 -0.032 0.000 2.109 165 I HA -0.366 3.801 4.170 -0.006 0.000 0.233 165 I C 2.229 178.211 176.117 -0.226 0.000 1.005 165 I CA 1.478 62.672 61.300 -0.178 0.000 1.294 165 I CB -0.428 37.350 38.000 -0.369 0.000 1.005 165 I HN -0.056 nan 8.210 nan 0.000 0.392 166 F N 0.661 120.614 119.950 0.005 0.000 2.546 166 F HA 0.015 4.539 4.527 -0.006 0.000 0.298 166 F C 0.918 176.732 175.800 0.023 0.000 1.120 166 F CA 0.494 58.506 58.000 0.019 0.000 1.456 166 F CB -0.440 38.577 39.000 0.028 0.000 1.088 166 F HN 0.060 nan 8.300 nan 0.000 0.572 167 R N 0.161 120.746 120.500 0.141 0.000 1.198 167 R HA -0.122 4.215 4.340 -0.006 0.000 0.414 167 R C -1.354 175.014 176.300 0.114 0.000 1.352 167 R CA 0.264 56.426 56.100 0.103 0.000 1.314 167 R CB -1.246 29.098 30.300 0.072 0.000 3.677 167 R HN 0.211 nan 8.270 nan 0.000 0.487 168 L N 1.906 123.180 121.223 0.085 0.000 2.545 168 L HA 0.480 4.816 4.340 -0.006 0.000 0.258 168 L C -0.389 176.511 176.870 0.051 0.000 0.942 168 L CA -1.016 53.865 54.840 0.070 0.000 0.855 168 L CB 2.542 44.643 42.059 0.071 0.000 1.374 168 L HN 0.523 nan 8.230 nan 0.000 0.411 169 K N 0.515 120.942 120.400 0.044 0.000 2.354 169 K HA 0.898 5.215 4.320 -0.006 0.000 0.238 169 K C -0.260 176.362 176.600 0.037 0.000 1.068 169 K CA -0.444 55.865 56.287 0.037 0.000 0.925 169 K CB 1.745 34.267 32.500 0.037 0.000 1.286 169 K HN 0.807 nan 8.250 nan 0.000 0.500 170 G N 0.977 109.800 108.800 0.038 0.000 2.777 170 G HA2 -0.161 3.795 3.960 -0.006 0.000 0.686 170 G HA3 -0.161 3.795 3.960 -0.006 0.000 0.686 170 G C -0.293 174.641 174.900 0.056 0.000 1.177 170 G CA -0.516 44.616 45.100 0.052 0.000 0.775 170 G HN 0.677 nan 8.290 nan 0.000 0.613 171 D N 0.124 120.587 120.400 0.104 0.000 2.263 171 D HA -0.071 4.566 4.640 -0.006 0.000 0.208 171 D C 1.874 178.368 176.300 0.323 0.000 0.971 171 D CA 1.394 55.507 54.000 0.187 0.000 0.867 171 D CB 0.208 41.207 40.800 0.331 0.000 0.929 171 D HN 0.715 nan 8.370 nan 0.000 0.492 172 E N 0.793 121.111 120.200 0.198 0.000 1.999 172 E HA -0.122 4.225 4.350 -0.006 0.000 0.194 172 E C 2.086 178.745 176.600 0.098 0.000 0.995 172 E CA 0.846 57.343 56.400 0.161 0.000 0.825 172 E CB -0.014 29.746 29.700 0.101 0.000 0.777 172 E HN 0.077 nan 8.360 nan 0.000 0.459 173 A N 1.430 124.285 122.820 0.058 0.000 2.009 173 A HA -0.272 4.044 4.320 -0.006 0.000 0.222 173 A C 2.184 179.768 177.584 -0.000 0.000 1.175 173 A CA 1.982 54.038 52.037 0.032 0.000 0.651 173 A CB -0.680 18.340 19.000 0.033 0.000 0.815 173 A HN 0.261 nan 8.150 nan 0.000 0.459 174 R N -1.999 118.472 120.500 -0.050 0.000 2.119 174 R HA -0.062 4.274 4.340 -0.006 0.000 0.222 174 R C 1.909 178.088 176.300 -0.203 0.000 1.088 174 R CA 1.062 57.074 56.100 -0.146 0.000 0.984 174 R CB -0.186 29.974 30.300 -0.234 0.000 0.884 174 R HN 0.719 nan 8.270 nan 0.000 0.447 175 H N -1.061 118.009 119.070 0.001 0.000 2.399 175 H HA 0.068 4.620 4.556 -0.006 0.000 0.300 175 H C 1.729 177.042 175.328 -0.025 0.000 1.048 175 H CA 1.387 57.425 56.048 -0.016 0.000 1.370 175 H CB 0.045 29.792 29.762 -0.026 0.000 1.428 175 H HN 0.122 nan 8.280 nan 0.000 0.534 176 T N 2.137 116.751 114.554 0.100 0.000 2.542 176 T HA -0.093 4.253 4.350 -0.006 0.000 0.257 176 T C 2.403 177.111 174.700 0.013 0.000 1.111 176 T CA 0.882 63.008 62.100 0.044 0.000 1.203 176 T CB -0.601 68.291 68.868 0.039 0.000 0.866 176 T HN 0.125 nan 8.240 nan 0.000 0.399 177 L N 0.498 121.722 121.223 0.002 0.000 2.211 177 L HA -0.164 4.172 4.340 -0.006 0.000 0.216 177 L C 2.484 179.337 176.870 -0.029 0.000 1.092 177 L CA 0.953 55.782 54.840 -0.019 0.000 0.767 177 L CB -0.570 41.476 42.059 -0.021 0.000 0.894 177 L HN 0.228 nan 8.230 nan 0.000 0.437 178 L N -0.489 120.720 121.223 -0.022 0.000 2.131 178 L HA -0.040 4.296 4.340 -0.006 0.000 0.206 178 L C 2.572 179.428 176.870 -0.023 0.000 1.087 178 L CA 1.575 56.399 54.840 -0.028 0.000 0.767 178 L CB -0.312 41.732 42.059 -0.025 0.000 0.917 178 L HN 0.113 nan 8.230 nan 0.000 0.441 179 A N -1.347 121.466 122.820 -0.011 0.000 1.970 179 A HA -0.121 4.196 4.320 -0.006 0.000 0.216 179 A C 2.316 179.882 177.584 -0.031 0.000 1.170 179 A CA 1.614 53.638 52.037 -0.022 0.000 0.645 179 A CB -1.037 17.951 19.000 -0.019 0.000 0.816 179 A HN 0.555 nan 8.150 nan 0.000 0.447 180 T N -2.969 111.568 114.554 -0.028 0.000 2.857 180 T HA 0.048 4.394 4.350 -0.006 0.000 0.266 180 T C 1.894 176.567 174.700 -0.045 0.000 1.048 180 T CA 1.455 63.534 62.100 -0.035 0.000 1.139 180 T CB -0.786 68.064 68.868 -0.030 0.000 0.874 180 T HN 0.339 nan 8.240 nan 0.000 0.455 181 G N 0.860 109.630 108.800 -0.049 0.000 2.471 181 G HA2 0.179 4.136 3.960 -0.006 0.000 0.219 181 G HA3 0.179 4.136 3.960 -0.006 0.000 0.219 181 G C 1.779 176.644 174.900 -0.058 0.000 1.125 181 G CA 0.646 45.710 45.100 -0.060 0.000 0.775 181 G HN 0.729 nan 8.290 nan 0.000 0.548 182 A N 0.998 123.791 122.820 -0.045 0.000 1.897 182 A HA 0.428 4.744 4.320 -0.006 0.000 0.215 182 A C 2.750 180.323 177.584 -0.019 0.000 1.181 182 A CA 1.924 53.942 52.037 -0.032 0.000 0.620 182 A CB -0.620 18.369 19.000 -0.018 0.000 0.821 182 A HN 0.583 nan 8.150 nan 0.000 0.443 183 A N -0.023 122.785 122.820 -0.021 0.000 1.840 183 A HA 0.256 4.573 4.320 -0.006 0.000 0.214 183 A C 2.521 180.072 177.584 -0.055 0.000 1.198 183 A CA 1.887 53.911 52.037 -0.021 0.000 0.608 183 A CB -1.247 17.726 19.000 -0.044 0.000 0.839 183 A HN 1.123 nan 8.150 nan 0.000 0.443 184 A N -0.401 122.383 122.820 -0.060 0.000 1.997 184 A HA -0.042 4.274 4.320 -0.006 0.000 0.221 184 A C 2.341 179.882 177.584 -0.072 0.000 1.172 184 A CA 2.300 54.300 52.037 -0.060 0.000 0.645 184 A CB -1.419 17.549 19.000 -0.052 0.000 0.813 184 A HN 0.779 nan 8.150 nan 0.000 0.454 185 G N -0.511 108.238 108.800 -0.085 0.000 2.414 185 G HA2 -0.089 3.867 3.960 -0.006 0.000 0.215 185 G HA3 -0.089 3.867 3.960 -0.006 0.000 0.215 185 G C 1.387 176.187 174.900 -0.167 0.000 1.188 185 G CA 1.015 46.045 45.100 -0.117 0.000 0.783 185 G HN 0.600 nan 8.290 nan 0.000 0.537 186 L N 1.300 122.421 121.223 -0.171 0.000 2.456 186 L HA 0.283 4.619 4.340 -0.006 0.000 0.224 186 L C 2.710 179.465 176.870 -0.191 0.000 1.148 186 L CA 1.467 56.156 54.840 -0.253 0.000 0.825 186 L CB -0.350 41.565 42.059 -0.240 0.000 0.937 186 L HN 0.232 nan 8.230 nan 0.000 0.450 187 A N -0.529 122.213 122.820 -0.131 0.000 1.861 187 A HA 0.172 4.488 4.320 -0.006 0.000 0.212 187 A C 2.317 179.807 177.584 -0.157 0.000 1.199 187 A CA 0.890 52.864 52.037 -0.104 0.000 0.613 187 A CB -1.030 17.922 19.000 -0.080 0.000 0.846 187 A HN 0.434 nan 8.150 nan 0.000 0.446 188 A N -0.485 122.258 122.820 -0.127 0.000 2.216 188 A HA 0.330 4.646 4.320 -0.006 0.000 0.214 188 A C 2.030 179.525 177.584 -0.149 0.000 1.160 188 A CA 1.528 53.503 52.037 -0.103 0.000 0.725 188 A CB -0.594 18.445 19.000 0.064 0.000 0.784 188 A HN 0.941 nan 8.150 nan 0.000 0.472 189 A N -2.221 120.457 122.820 -0.237 0.000 2.147 189 A HA 0.463 4.779 4.320 -0.006 0.000 0.211 189 A C 1.245 178.636 177.584 -0.321 0.000 1.160 189 A CA 0.539 52.383 52.037 -0.323 0.000 0.781 189 A CB -0.104 18.556 19.000 -0.568 0.000 0.842 189 A HN 0.523 nan 8.150 nan 0.000 0.475 190 F N -1.820 118.039 119.950 -0.151 0.000 2.856 190 F HA 0.178 4.702 4.527 -0.006 0.000 0.338 190 F C 0.671 176.303 175.800 -0.280 0.000 1.100 190 F CA -0.150 57.767 58.000 -0.137 0.000 1.150 190 F CB 0.485 39.450 39.000 -0.059 0.000 1.101 190 F HN 0.258 nan 8.300 nan 0.000 0.548 191 N N 2.388 120.879 118.700 -0.349 0.000 2.705 191 N HA -0.244 4.493 4.740 -0.006 0.000 0.255 191 N C -0.774 174.646 175.510 -0.151 0.000 1.008 191 N CA 0.778 53.549 53.050 -0.465 0.000 0.742 191 N CB -0.679 37.468 38.487 -0.567 0.000 0.906 191 N HN 0.351 nan 8.380 nan 0.000 0.541 192 A N 0.631 123.404 122.820 -0.079 0.000 3.216 192 A HA 0.547 4.864 4.320 -0.006 0.000 0.321 192 A C -1.356 176.203 177.584 -0.041 0.000 1.042 192 A CA -0.879 51.138 52.037 -0.034 0.000 0.838 192 A CB 1.024 20.028 19.000 0.006 0.000 1.136 192 A HN 0.263 nan 8.150 nan 0.000 0.483 193 P HA -0.282 nan 4.420 nan 0.000 0.216 193 P C 1.671 178.904 177.300 -0.112 0.000 1.167 193 P CA 1.477 64.536 63.100 -0.068 0.000 0.933 193 P CB 0.073 31.758 31.700 -0.026 0.000 0.793 194 L N -1.228 119.946 121.223 -0.082 0.000 1.956 194 L HA -0.253 4.083 4.340 -0.006 0.000 0.216 194 L C 2.581 179.405 176.870 -0.077 0.000 1.073 194 L CA 1.973 56.756 54.840 -0.095 0.000 0.762 194 L CB -1.690 40.346 42.059 -0.038 0.000 0.889 194 L HN -0.043 nan 8.230 nan 0.000 0.433 195 A N 0.461 123.262 122.820 -0.031 0.000 2.009 195 A HA -0.241 4.076 4.320 -0.006 0.000 0.222 195 A C 2.333 179.927 177.584 0.017 0.000 1.175 195 A CA 2.190 54.232 52.037 0.007 0.000 0.651 195 A CB -1.481 17.533 19.000 0.023 0.000 0.815 195 A HN 0.553 nan 8.150 nan 0.000 0.459 196 G N 0.030 108.812 108.800 -0.028 0.000 2.524 196 G HA2 -0.194 3.763 3.960 -0.006 0.000 0.215 196 G HA3 -0.194 3.763 3.960 -0.006 0.000 0.215 196 G C 1.509 176.391 174.900 -0.029 0.000 1.239 196 G CA 1.116 46.200 45.100 -0.027 0.000 0.798 196 G HN 0.497 nan 8.290 nan 0.000 0.557 197 I N 0.591 121.070 120.570 -0.152 0.000 2.113 197 I HA -0.222 3.944 4.170 -0.006 0.000 0.242 197 I C 2.699 178.764 176.117 -0.088 0.000 1.057 197 I CA 0.842 62.017 61.300 -0.208 0.000 1.314 197 I CB -0.368 37.357 38.000 -0.458 0.000 1.022 197 I HN 0.071 nan 8.210 nan 0.000 0.408 198 L N -0.353 120.842 121.223 -0.047 0.000 2.127 198 L HA -0.252 4.085 4.340 -0.006 0.000 0.211 198 L C 2.549 179.471 176.870 0.087 0.000 1.089 198 L CA 2.004 56.854 54.840 0.015 0.000 0.757 198 L CB -1.145 40.934 42.059 0.033 0.000 0.899 198 L HN 0.280 nan 8.230 nan 0.000 0.434 199 F N 0.410 120.329 119.950 -0.052 0.000 2.146 199 F HA -0.202 4.322 4.527 -0.005 0.000 0.298 199 F C 2.383 178.159 175.800 -0.040 0.000 1.096 199 F CA 0.979 58.958 58.000 -0.034 0.000 1.275 199 F CB -0.110 38.858 39.000 -0.055 0.000 1.008 199 F HN -0.105 nan 8.300 nan 0.000 0.480 200 I N 1.716 122.232 120.570 -0.091 0.000 2.045 200 I HA -0.271 3.896 4.170 -0.006 0.000 0.233 200 I C 2.394 178.394 176.117 -0.194 0.000 1.048 200 I CA 1.723 62.910 61.300 -0.189 0.000 1.313 200 I CB -1.720 36.221 38.000 -0.098 0.000 1.043 200 I HN 0.242 nan 8.210 nan 0.000 0.393 201 I N -0.795 119.703 120.570 -0.120 0.000 3.386 201 I HA -0.083 4.083 4.170 -0.006 0.000 0.322 201 I C 1.265 177.320 176.117 -0.104 0.000 1.117 201 I CA 1.115 62.352 61.300 -0.105 0.000 1.212 201 I CB -0.503 37.458 38.000 -0.065 0.000 0.989 201 I HN 0.487 nan 8.210 nan 0.000 0.572 202 E N 0.270 120.384 120.200 -0.143 0.000 2.626 202 E HA -0.056 4.291 4.350 -0.006 0.000 0.194 202 E C 1.138 177.636 176.600 -0.170 0.000 0.950 202 E CA 0.298 56.628 56.400 -0.117 0.000 1.583 202 E CB 0.372 30.047 29.700 -0.041 0.000 1.881 202 E HN 0.520 nan 8.360 nan 0.000 0.979 203 E N -0.454 119.561 120.200 -0.310 0.000 3.441 203 E HA 0.153 4.500 4.350 -0.006 0.000 0.195 203 E C 1.709 178.082 176.600 -0.379 0.000 1.172 203 E CA 0.421 56.610 56.400 -0.352 0.000 1.457 203 E CB -0.063 29.354 29.700 -0.472 0.000 1.388 203 E HN 0.013 nan 8.360 nan 0.000 0.551 204 M N 1.027 120.275 119.600 -0.587 0.000 2.106 204 M HA -0.053 4.423 4.480 -0.006 0.000 0.259 204 M C 1.244 177.422 176.300 -0.203 0.000 1.068 204 M CA 1.051 56.132 55.300 -0.364 0.000 1.100 204 M CB -1.057 31.324 32.600 -0.366 0.000 1.351 204 M HN 0.032 nan 8.290 nan 0.000 0.404 205 R N 0.942 121.319 120.500 -0.205 0.000 2.643 205 R HA 0.074 4.410 4.340 -0.006 0.000 0.270 205 R C -2.195 174.020 176.300 -0.142 0.000 1.061 205 R CA -1.363 54.645 56.100 -0.154 0.000 1.107 205 R CB 0.137 30.339 30.300 -0.163 0.000 0.999 205 R HN -0.067 nan 8.270 nan 0.000 0.460 206 P HA -0.097 nan 4.420 nan 0.000 0.253 206 P C -0.315 176.896 177.300 -0.147 0.000 1.170 206 P CA 0.486 63.544 63.100 -0.070 0.000 0.806 206 P CB 0.500 32.164 31.700 -0.060 0.000 0.775 207 Q N 1.854 121.493 119.800 -0.268 0.000 2.436 207 Q HA -0.033 4.304 4.340 -0.006 0.000 0.209 207 Q C 0.567 176.029 176.000 -0.897 0.000 0.965 207 Q CA 1.427 56.823 55.803 -0.678 0.000 0.910 207 Q CB -0.070 28.044 28.738 -1.038 0.000 0.980 207 Q HN 0.591 nan 8.270 nan 0.000 0.491 208 F N -0.567 119.379 119.950 -0.008 0.000 2.781 208 F HA 0.265 4.788 4.527 -0.006 0.000 0.322 208 F C 0.695 176.503 175.800 0.014 0.000 1.108 208 F CA -0.631 57.372 58.000 0.005 0.000 1.179 208 F CB 0.565 39.571 39.000 0.009 0.000 1.072 208 F HN -0.101 nan 8.300 nan 0.000 0.545 209 R N -1.678 118.906 120.500 0.140 0.000 2.781 209 R HA 0.457 4.794 4.340 -0.006 0.000 0.269 209 R C -1.478 174.873 176.300 0.085 0.000 1.025 209 R CA -0.894 55.278 56.100 0.119 0.000 0.914 209 R CB 0.977 31.347 30.300 0.116 0.000 1.236 209 R HN -0.051 nan 8.270 nan 0.000 0.465 210 Y N 0.605 120.896 120.300 -0.015 0.000 2.357 210 Y HA 0.385 4.931 4.550 -0.006 0.000 0.340 210 Y C -0.811 175.041 175.900 -0.079 0.000 1.260 210 Y CA 0.984 59.060 58.100 -0.040 0.000 1.425 210 Y CB 1.424 39.868 38.460 -0.028 0.000 1.326 210 Y HN 0.690 nan 8.280 nan 0.000 0.580 211 T N 5.837 119.949 114.554 -0.736 0.000 3.295 211 T HA 0.243 4.589 4.350 -0.006 0.000 0.331 211 T C -0.988 173.306 174.700 -0.677 0.000 1.142 211 T CA -0.756 61.002 62.100 -0.570 0.000 1.078 211 T CB 0.572 69.177 68.868 -0.439 0.000 1.150 211 T HN 0.585 nan 8.240 nan 0.000 0.465 212 L N 4.056 125.051 121.223 -0.381 0.000 2.415 212 L HA 0.389 4.725 4.340 -0.006 0.000 0.269 212 L C -0.359 176.447 176.870 -0.106 0.000 1.244 212 L CA 0.093 54.828 54.840 -0.174 0.000 1.113 212 L CB -0.588 41.490 42.059 0.032 0.000 1.352 212 L HN 0.497 nan 8.230 nan 0.000 0.433 213 I N 1.018 121.499 120.570 -0.148 0.000 2.355 213 I HA 0.108 4.275 4.170 -0.006 0.000 0.288 213 I C 0.609 176.704 176.117 -0.037 0.000 0.999 213 I CA -0.278 60.982 61.300 -0.067 0.000 1.163 213 I CB 1.909 39.855 38.000 -0.090 0.000 1.316 213 I HN 0.279 nan 8.210 nan 0.000 0.454 214 S N 6.718 122.420 115.700 0.003 0.000 2.437 214 S HA 0.228 4.695 4.470 -0.006 0.000 0.304 214 S C 1.303 175.924 174.600 0.035 0.000 1.167 214 S CA -0.417 57.796 58.200 0.021 0.000 1.106 214 S CB -0.063 63.157 63.200 0.033 0.000 1.099 214 S HN 0.531 nan 8.310 nan 0.000 0.524 215 I N 4.376 124.972 120.570 0.042 0.000 2.454 215 I HA -0.154 4.013 4.170 -0.006 0.000 0.254 215 I C 2.473 178.698 176.117 0.180 0.000 1.156 215 I CA 1.024 62.377 61.300 0.088 0.000 1.433 215 I CB -0.260 37.798 38.000 0.096 0.000 1.082 215 I HN 0.643 nan 8.210 nan 0.000 0.432 216 K N 1.816 122.292 120.400 0.127 0.000 2.062 216 K HA -0.109 4.208 4.320 -0.006 0.000 0.205 216 K C 2.270 178.949 176.600 0.131 0.000 1.051 216 K CA 1.254 57.615 56.287 0.124 0.000 0.941 216 K CB -0.045 32.477 32.500 0.037 0.000 0.719 216 K HN 0.240 nan 8.250 nan 0.000 0.440 217 A N 0.976 123.846 122.820 0.083 0.000 1.933 217 A HA -0.095 4.222 4.320 -0.006 0.000 0.218 217 A C 2.207 179.829 177.584 0.064 0.000 1.175 217 A CA 1.499 53.571 52.037 0.060 0.000 0.628 217 A CB -0.607 18.415 19.000 0.036 0.000 0.814 217 A HN 0.173 nan 8.150 nan 0.000 0.444 218 V N -1.232 118.723 119.914 0.070 0.000 2.233 218 V HA -0.279 3.838 4.120 -0.006 0.000 0.247 218 V C 2.230 178.350 176.094 0.044 0.000 1.050 218 V CA 2.267 64.582 62.300 0.025 0.000 1.010 218 V CB -1.023 30.790 31.823 -0.016 0.000 0.637 218 V HN 0.574 nan 8.190 nan 0.000 0.444 219 F N 0.006 119.946 119.950 -0.015 0.000 2.045 219 F HA -0.293 4.231 4.527 -0.006 0.000 0.297 219 F C 2.271 178.060 175.800 -0.017 0.000 1.114 219 F CA 2.416 60.408 58.000 -0.013 0.000 1.207 219 F CB -0.498 38.495 39.000 -0.011 0.000 0.964 219 F HN 0.053 nan 8.300 nan 0.000 0.486 220 I N -0.421 120.273 120.570 0.206 0.000 2.185 220 I HA -0.346 3.820 4.170 -0.006 0.000 0.246 220 I C 2.672 178.811 176.117 0.037 0.000 1.088 220 I CA 1.524 62.879 61.300 0.092 0.000 1.347 220 I CB -1.356 36.670 38.000 0.045 0.000 1.041 220 I HN 0.287 nan 8.210 nan 0.000 0.415 221 G N 0.652 109.462 108.800 0.017 0.000 2.484 221 G HA2 -0.185 3.772 3.960 -0.006 0.000 0.215 221 G HA3 -0.185 3.772 3.960 -0.006 0.000 0.215 221 G C 1.688 176.578 174.900 -0.017 0.000 1.219 221 G CA 0.980 46.067 45.100 -0.021 0.000 0.791 221 G HN 0.224 nan 8.290 nan 0.000 0.550 222 V N 1.450 121.347 119.914 -0.029 0.000 2.250 222 V HA -0.283 3.833 4.120 -0.006 0.000 0.250 222 V C 2.834 178.926 176.094 -0.003 0.000 1.060 222 V CA 2.076 64.349 62.300 -0.045 0.000 1.030 222 V CB -0.567 31.185 31.823 -0.118 0.000 0.643 222 V HN 0.422 nan 8.190 nan 0.000 0.445 223 I N -1.067 119.524 120.570 0.036 0.000 2.076 223 I HA -0.306 3.861 4.170 -0.006 0.000 0.237 223 I C 2.594 178.737 176.117 0.044 0.000 1.059 223 I CA 1.694 63.029 61.300 0.059 0.000 1.317 223 I CB -0.495 37.559 38.000 0.091 0.000 1.037 223 I HN 0.242 nan 8.210 nan 0.000 0.398 224 M N 0.081 119.698 119.600 0.027 0.000 2.255 224 M HA -0.225 4.251 4.480 -0.006 0.000 0.259 224 M C 2.501 178.819 176.300 0.030 0.000 1.071 224 M CA 1.598 56.907 55.300 0.015 0.000 1.074 224 M CB -1.516 31.070 32.600 -0.023 0.000 1.384 224 M HN 0.316 nan 8.290 nan 0.000 0.415 225 S N -0.444 115.271 115.700 0.025 0.000 2.348 225 S HA -0.089 4.377 4.470 -0.006 0.000 0.219 225 S C 1.862 176.516 174.600 0.091 0.000 1.033 225 S CA 1.764 59.987 58.200 0.038 0.000 0.974 225 S CB -0.145 63.057 63.200 0.004 0.000 0.868 225 S HN 0.488 nan 8.310 nan 0.000 0.459 226 T N 2.387 116.987 114.554 0.077 0.000 2.849 226 T HA 0.017 4.364 4.350 -0.006 0.000 0.270 226 T C 1.614 176.420 174.700 0.178 0.000 1.066 226 T CA 1.380 63.550 62.100 0.117 0.000 1.130 226 T CB -0.356 68.549 68.868 0.062 0.000 0.864 226 T HN 0.399 nan 8.240 nan 0.000 0.481 227 I N 0.527 121.176 120.570 0.132 0.000 2.286 227 I HA -0.125 4.041 4.170 -0.006 0.000 0.245 227 I C 2.438 178.655 176.117 0.166 0.000 1.104 227 I CA 0.836 62.211 61.300 0.126 0.000 1.397 227 I CB -0.309 37.740 38.000 0.081 0.000 1.072 227 I HN 0.178 nan 8.210 nan 0.000 0.417 228 M N -0.286 119.421 119.600 0.179 0.000 2.108 228 M HA -0.249 4.227 4.480 -0.006 0.000 0.261 228 M C 2.487 178.974 176.300 0.311 0.000 1.066 228 M CA 1.949 57.396 55.300 0.245 0.000 1.107 228 M CB -1.432 31.276 32.600 0.180 0.000 1.356 228 M HN 0.273 nan 8.290 nan 0.000 0.406 229 Y N 1.272 121.668 120.300 0.161 0.000 2.097 229 Y HA -0.226 4.320 4.550 -0.006 0.000 0.282 229 Y C 2.609 178.627 175.900 0.196 0.000 1.152 229 Y CA 1.930 60.123 58.100 0.155 0.000 1.136 229 Y CB -0.290 38.229 38.460 0.098 0.000 0.975 229 Y HN 0.104 nan 8.280 nan 0.000 0.498 230 R N 0.235 120.894 120.500 0.266 0.000 2.080 230 R HA -0.187 4.150 4.340 -0.006 0.000 0.236 230 R C 2.328 178.725 176.300 0.162 0.000 1.137 230 R CA 2.132 58.352 56.100 0.200 0.000 0.943 230 R CB -0.697 29.737 30.300 0.223 0.000 0.846 230 R HN 0.432 nan 8.270 nan 0.000 0.431 231 I N 0.033 120.683 120.570 0.133 0.000 2.290 231 I HA -0.331 3.836 4.170 -0.006 0.000 0.253 231 I C 1.518 177.489 176.117 -0.244 0.000 1.112 231 I CA 1.698 62.987 61.300 -0.017 0.000 1.377 231 I CB -0.206 37.715 38.000 -0.133 0.000 1.060 231 I HN 0.143 nan 8.210 nan 0.000 0.428 232 F N -0.252 119.643 119.950 -0.091 0.000 2.602 232 F HA 0.124 4.647 4.527 -0.006 0.000 0.284 232 F C 1.019 176.621 175.800 -0.329 0.000 1.111 232 F CA 0.119 58.008 58.000 -0.186 0.000 1.405 232 F CB 0.059 38.970 39.000 -0.148 0.000 1.121 232 F HN 0.017 nan 8.300 nan 0.000 0.603 233 N N 0.239 118.769 118.700 -0.283 0.000 2.598 233 N HA 0.100 4.836 4.740 -0.006 0.000 0.309 233 N C -0.601 174.762 175.510 -0.245 0.000 1.645 233 N CA -0.161 52.677 53.050 -0.353 0.000 0.936 233 N CB -0.457 37.724 38.487 -0.509 0.000 1.323 233 N HN 0.353 nan 8.380 nan 0.000 0.497 234 H N -0.798 118.230 119.070 -0.070 0.000 2.497 234 H HA 0.489 5.042 4.556 -0.006 0.000 0.331 234 H C 0.543 175.877 175.328 0.011 0.000 1.457 234 H CA -0.272 55.776 56.048 -0.001 0.000 1.459 234 H CB 0.611 30.371 29.762 -0.002 0.000 1.728 234 H HN -0.165 nan 8.280 nan 0.000 0.691 235 E N -1.922 118.467 120.200 0.315 0.000 3.370 235 E HA -0.135 4.211 4.350 -0.006 0.000 0.291 235 E C -1.002 175.657 176.600 0.099 0.000 0.916 235 E CA 1.039 57.562 56.400 0.206 0.000 0.981 235 E CB -1.865 27.993 29.700 0.264 0.000 1.498 235 E HN 0.402 nan 8.360 nan 0.000 0.452 236 V N -0.607 119.360 119.914 0.089 0.000 2.739 236 V HA 0.588 4.704 4.120 -0.006 0.000 0.293 236 V C 0.258 176.404 176.094 0.087 0.000 1.199 236 V CA -0.341 61.999 62.300 0.066 0.000 0.931 236 V CB 1.816 33.663 31.823 0.041 0.000 1.052 236 V HN 0.292 nan 8.190 nan 0.000 0.441 237 A N 4.094 126.953 122.820 0.066 0.000 2.267 237 A HA 0.747 5.064 4.320 -0.006 0.000 0.271 237 A C 0.878 178.483 177.584 0.034 0.000 1.131 237 A CA -0.101 51.969 52.037 0.054 0.000 0.818 237 A CB 0.475 19.483 19.000 0.013 0.000 1.118 237 A HN 0.872 nan 8.150 nan 0.000 0.501 238 L N -0.980 120.227 121.223 -0.027 0.000 2.357 238 L HA 0.312 4.649 4.340 -0.006 0.000 0.211 238 L C -0.217 176.520 176.870 -0.222 0.000 1.075 238 L CA 0.771 55.540 54.840 -0.119 0.000 0.830 238 L CB -0.021 41.898 42.059 -0.235 0.000 0.996 238 L HN 0.498 nan 8.230 nan 0.000 0.467 239 I N -0.733 119.722 120.570 -0.193 0.000 2.607 239 I HA 0.270 4.437 4.170 -0.006 0.000 0.290 239 I C -1.435 174.633 176.117 -0.082 0.000 1.129 239 I CA -0.528 60.675 61.300 -0.162 0.000 1.042 239 I CB 2.718 40.576 38.000 -0.237 0.000 1.242 239 I HN -0.193 nan 8.210 nan 0.000 0.421 240 D N 5.446 125.819 120.400 -0.044 0.000 2.473 240 D HA 0.375 5.012 4.640 -0.006 0.000 0.253 240 D C -0.118 176.172 176.300 -0.017 0.000 1.233 240 D CA -0.133 53.852 54.000 -0.024 0.000 0.908 240 D CB 2.369 43.163 40.800 -0.009 0.000 1.170 240 D HN 0.221 nan 8.370 nan 0.000 0.558 241 V N 2.350 122.252 119.914 -0.020 0.000 3.477 241 V HA 0.353 4.469 4.120 -0.006 0.000 0.297 241 V C 1.376 177.464 176.094 -0.011 0.000 1.433 241 V CA 0.319 62.611 62.300 -0.013 0.000 1.052 241 V CB -0.024 31.790 31.823 -0.016 0.000 0.895 241 V HN 0.798 nan 8.190 nan 0.000 0.438 242 G N 1.685 110.478 108.800 -0.011 0.000 2.601 242 G HA2 -0.301 3.655 3.960 -0.006 0.000 0.261 242 G HA3 -0.301 3.655 3.960 -0.006 0.000 0.261 242 G C -0.236 174.658 174.900 -0.010 0.000 1.289 242 G CA 0.018 45.114 45.100 -0.008 0.000 0.920 242 G HN 0.381 nan 8.290 nan 0.000 0.571 243 K N 0.687 121.082 120.400 -0.008 0.000 2.300 243 K HA 0.620 4.936 4.320 -0.006 0.000 0.264 243 K C 0.956 177.548 176.600 -0.014 0.000 1.083 243 K CA -0.283 55.997 56.287 -0.012 0.000 0.958 243 K CB 0.226 32.721 32.500 -0.008 0.000 1.318 243 K HN 0.498 nan 8.250 nan 0.000 0.448 244 L N 0.534 121.745 121.223 -0.020 0.000 2.416 244 L HA 0.230 4.566 4.340 -0.006 0.000 0.212 244 L C 1.252 178.107 176.870 -0.026 0.000 1.200 244 L CA -0.405 54.423 54.840 -0.019 0.000 0.841 244 L CB 0.013 42.057 42.059 -0.025 0.000 1.299 244 L HN 0.621 nan 8.230 nan 0.000 0.538 245 S N -1.395 114.291 115.700 -0.023 0.000 2.596 245 S HA 0.201 4.668 4.470 -0.006 0.000 0.262 245 S C -0.656 173.909 174.600 -0.059 0.000 1.218 245 S CA -0.728 57.456 58.200 -0.028 0.000 0.998 245 S CB 0.616 63.814 63.200 -0.004 0.000 1.060 245 S HN 0.517 nan 8.310 nan 0.000 0.552 246 D N -0.239 120.123 120.400 -0.063 0.000 2.392 246 D HA 0.665 5.301 4.640 -0.006 0.000 0.246 246 D C -0.984 175.252 176.300 -0.107 0.000 1.013 246 D CA -0.462 53.480 54.000 -0.097 0.000 0.993 246 D CB 1.315 42.064 40.800 -0.085 0.000 1.219 246 D HN 0.781 nan 8.370 nan 0.000 0.538 247 A N 1.336 124.062 122.820 -0.156 0.000 2.412 247 A HA 0.549 4.866 4.320 -0.006 0.000 0.334 247 A C -2.342 175.162 177.584 -0.133 0.000 1.419 247 A CA -1.315 50.625 52.037 -0.162 0.000 0.930 247 A CB -0.108 18.705 19.000 -0.313 0.000 1.149 247 A HN 0.307 nan 8.150 nan 0.000 0.515 248 P HA 0.020 nan 4.420 nan 0.000 0.265 248 P C 1.121 178.361 177.300 -0.100 0.000 1.187 248 P CA -0.093 62.950 63.100 -0.095 0.000 0.766 248 P CB 0.571 32.212 31.700 -0.099 0.000 0.820 249 L N 2.153 123.327 121.223 -0.081 0.000 2.043 249 L HA -0.245 4.092 4.340 -0.006 0.000 0.212 249 L C 1.957 178.807 176.870 -0.033 0.000 1.075 249 L CA 1.768 56.573 54.840 -0.057 0.000 0.752 249 L CB -0.664 41.370 42.059 -0.041 0.000 0.891 249 L HN 0.554 nan 8.230 nan 0.000 0.432 250 N N -0.857 117.801 118.700 -0.070 0.000 2.575 250 N HA -0.122 4.615 4.740 -0.006 0.000 0.192 250 N C 1.085 176.521 175.510 -0.124 0.000 1.200 250 N CA 1.327 54.340 53.050 -0.061 0.000 0.897 250 N CB -0.472 37.952 38.487 -0.104 0.000 0.990 250 N HN 0.417 nan 8.380 nan 0.000 0.449 251 T N -3.447 111.027 114.554 -0.133 0.000 3.132 251 T HA 0.295 4.641 4.350 -0.006 0.000 0.274 251 T C 1.451 176.214 174.700 0.105 0.000 1.011 251 T CA -0.435 61.579 62.100 -0.142 0.000 0.899 251 T CB -0.342 68.443 68.868 -0.138 0.000 1.089 251 T HN 0.046 nan 8.240 nan 0.000 0.543 252 L N 0.492 121.810 121.223 0.159 0.000 2.109 252 L HA 0.112 4.449 4.340 -0.006 0.000 0.207 252 L C 2.899 179.940 176.870 0.286 0.000 1.086 252 L CA 1.246 56.209 54.840 0.205 0.000 0.760 252 L CB -0.539 41.568 42.059 0.079 0.000 0.910 252 L HN 0.574 nan 8.230 nan 0.000 0.437 253 W N 0.402 121.776 121.300 0.124 0.000 2.350 253 W HA -0.186 4.471 4.660 -0.005 0.000 0.289 253 W C 1.646 178.245 176.519 0.133 0.000 1.215 253 W CA 0.561 57.970 57.345 0.107 0.000 1.236 253 W CB -1.194 28.309 29.460 0.071 0.000 1.130 253 W HN 0.143 nan 8.180 nan 0.000 0.541 254 L N 0.004 120.818 121.223 -0.683 0.000 2.265 254 L HA -0.225 4.111 4.340 -0.006 0.000 0.215 254 L C 2.223 178.922 176.870 -0.285 0.000 1.117 254 L CA 1.543 55.982 54.840 -0.668 0.000 0.782 254 L CB -0.814 40.860 42.059 -0.641 0.000 0.914 254 L HN -0.066 nan 8.230 nan 0.000 0.441 255 Y N -1.584 118.686 120.300 -0.050 0.000 2.523 255 Y HA -0.079 4.467 4.550 -0.005 0.000 0.279 255 Y C 1.969 177.821 175.900 -0.080 0.000 1.139 255 Y CA 0.090 58.159 58.100 -0.052 0.000 1.296 255 Y CB 0.027 38.450 38.460 -0.062 0.000 1.045 255 Y HN 0.053 nan 8.280 nan 0.000 0.538 256 L N -0.155 121.135 121.223 0.111 0.000 2.131 256 L HA -0.022 4.315 4.340 -0.006 0.000 0.206 256 L C 1.900 178.795 176.870 0.042 0.000 1.087 256 L CA 1.485 56.381 54.840 0.093 0.000 0.767 256 L CB -0.491 41.660 42.059 0.154 0.000 0.917 256 L HN 0.160 nan 8.230 nan 0.000 0.441 257 I N -0.953 119.630 120.570 0.021 0.000 2.252 257 I HA -0.264 3.902 4.170 -0.006 0.000 0.245 257 I C 2.342 178.343 176.117 -0.194 0.000 1.102 257 I CA 1.140 62.440 61.300 -0.000 0.000 1.385 257 I CB -0.317 37.742 38.000 0.098 0.000 1.064 257 I HN 0.316 nan 8.210 nan 0.000 0.414 258 L N 1.227 122.139 121.223 -0.519 0.000 2.083 258 L HA -0.093 4.243 4.340 -0.006 0.000 0.209 258 L C 2.289 179.070 176.870 -0.147 0.000 1.083 258 L CA 2.161 56.580 54.840 -0.701 0.000 0.752 258 L CB -1.087 40.428 42.059 -0.907 0.000 0.899 258 L HN 0.172 nan 8.230 nan 0.000 0.433 259 G N -0.399 108.356 108.800 -0.074 0.000 2.432 259 G HA2 -0.219 3.737 3.960 -0.006 0.000 0.219 259 G HA3 -0.219 3.737 3.960 -0.006 0.000 0.219 259 G C 1.606 176.541 174.900 0.058 0.000 1.135 259 G CA 1.092 46.202 45.100 0.017 0.000 0.767 259 G HN 0.486 nan 8.290 nan 0.000 0.550 260 I N 0.419 121.009 120.570 0.035 0.000 2.163 260 I HA -0.111 4.055 4.170 -0.006 0.000 0.240 260 I C 2.668 178.820 176.117 0.058 0.000 1.081 260 I CA 0.697 62.030 61.300 0.055 0.000 1.353 260 I CB -0.217 37.821 38.000 0.063 0.000 1.054 260 I HN 0.137 nan 8.210 nan 0.000 0.407 261 I N 0.341 120.920 120.570 0.015 0.000 2.087 261 I HA -0.365 3.802 4.170 -0.006 0.000 0.240 261 I C 2.429 178.532 176.117 -0.022 0.000 1.054 261 I CA 1.928 63.206 61.300 -0.037 0.000 1.311 261 I CB -0.536 37.372 38.000 -0.153 0.000 1.024 261 I HN 0.082 nan 8.210 nan 0.000 0.402 262 F N 0.988 120.919 119.950 -0.031 0.000 2.250 262 F HA -0.146 4.377 4.527 -0.007 0.000 0.301 262 F C 2.428 178.263 175.800 0.058 0.000 1.077 262 F CA 1.425 59.444 58.000 0.032 0.000 1.348 262 F CB -0.909 38.070 39.000 -0.035 0.000 1.040 262 F HN 0.057 nan 8.300 nan 0.000 0.509 263 G N 0.674 109.581 108.800 0.178 0.000 2.404 263 G HA2 -0.216 3.740 3.960 -0.006 0.000 0.215 263 G HA3 -0.216 3.740 3.960 -0.006 0.000 0.215 263 G C 1.690 176.634 174.900 0.075 0.000 1.174 263 G CA 1.008 46.167 45.100 0.097 0.000 0.780 263 G HN 0.518 nan 8.290 nan 0.000 0.537 264 I N -2.889 117.732 120.570 0.085 0.000 2.406 264 I HA 0.165 4.331 4.170 -0.006 0.000 0.249 264 I C 2.443 178.594 176.117 0.058 0.000 1.122 264 I CA 0.905 62.246 61.300 0.069 0.000 1.431 264 I CB -0.300 37.748 38.000 0.079 0.000 1.087 264 I HN 0.064 nan 8.210 nan 0.000 0.424 265 F N 2.868 122.782 119.950 -0.060 0.000 2.128 265 F HA 0.137 4.661 4.527 -0.004 0.000 0.295 265 F C 2.419 178.169 175.800 -0.084 0.000 1.100 265 F CA 1.545 59.486 58.000 -0.099 0.000 1.260 265 F CB -0.864 38.053 39.000 -0.139 0.000 1.009 265 F HN 0.103 nan 8.300 nan 0.000 0.476 266 G N 0.798 109.574 108.800 -0.040 0.000 2.606 266 G HA2 -0.302 3.655 3.960 -0.006 0.000 0.221 266 G HA3 -0.302 3.655 3.960 -0.006 0.000 0.221 266 G C -0.777 174.012 174.900 -0.185 0.000 1.152 266 G CA 1.237 46.286 45.100 -0.086 0.000 0.765 266 G HN 0.329 nan 8.290 nan 0.000 0.595 267 P HA 0.053 nan 4.420 nan 0.000 0.217 267 P C 2.029 179.136 177.300 -0.322 0.000 1.154 267 P CA 0.483 63.480 63.100 -0.171 0.000 0.841 267 P CB -0.040 31.598 31.700 -0.103 0.000 0.788 268 I N -1.692 118.589 120.570 -0.482 0.000 2.194 268 I HA -0.288 3.878 4.170 -0.006 0.000 0.246 268 I C 2.219 177.615 176.117 -1.201 0.000 1.093 268 I CA 1.636 62.467 61.300 -0.782 0.000 1.355 268 I CB -0.597 36.911 38.000 -0.820 0.000 1.046 268 I HN -0.104 nan 8.210 nan 0.000 0.413 269 F N 2.053 121.240 119.950 -1.272 0.000 2.171 269 F HA -0.208 4.316 4.527 -0.006 0.000 0.300 269 F C 2.283 177.842 175.800 -0.401 0.000 1.090 269 F CA 1.556 59.005 58.000 -0.918 0.000 1.293 269 F CB -0.399 38.154 39.000 -0.744 0.000 1.013 269 F HN 0.067 nan 8.300 nan 0.000 0.486 270 N N 0.700 119.244 118.700 -0.259 0.000 2.223 270 N HA -0.154 4.583 4.740 -0.006 0.000 0.185 270 N C 1.738 177.155 175.510 -0.156 0.000 1.016 270 N CA 1.230 54.195 53.050 -0.142 0.000 0.863 270 N CB -0.240 38.214 38.487 -0.056 0.000 0.983 270 N HN 0.381 nan 8.380 nan 0.000 0.429 271 K N -0.353 119.914 120.400 -0.223 0.000 1.984 271 K HA -0.098 4.218 4.320 -0.006 0.000 0.209 271 K C 1.953 178.568 176.600 0.026 0.000 1.046 271 K CA 1.044 57.273 56.287 -0.097 0.000 0.934 271 K CB -0.194 32.242 32.500 -0.106 0.000 0.717 271 K HN 0.182 nan 8.250 nan 0.000 0.438 272 W N 0.593 121.790 121.300 -0.172 0.000 2.321 272 W HA -0.166 4.490 4.660 -0.007 0.000 0.306 272 W C 2.131 178.513 176.519 -0.229 0.000 1.217 272 W CA 0.396 57.625 57.345 -0.192 0.000 1.257 272 W CB -1.341 27.985 29.460 -0.224 0.000 1.145 272 W HN -0.020 nan 8.180 nan 0.000 0.509 273 V N 0.509 120.349 119.914 -0.122 0.000 2.759 273 V HA -0.190 3.926 4.120 -0.006 0.000 0.256 273 V C 1.792 177.886 176.094 -0.001 0.000 1.080 273 V CA 1.569 63.807 62.300 -0.104 0.000 1.101 273 V CB -0.200 31.531 31.823 -0.153 0.000 0.698 273 V HN 0.112 nan 8.190 nan 0.000 0.477 274 L N -0.352 120.874 121.223 0.006 0.000 2.200 274 L HA 0.283 4.620 4.340 -0.006 0.000 0.200 274 L C 2.697 179.574 176.870 0.012 0.000 1.072 274 L CA 1.124 55.973 54.840 0.014 0.000 0.787 274 L CB -1.148 40.924 42.059 0.021 0.000 0.957 274 L HN 0.369 nan 8.230 nan 0.000 0.459 275 G N 0.166 108.986 108.800 0.034 0.000 2.476 275 G HA2 -0.368 3.589 3.960 -0.006 0.000 0.218 275 G HA3 -0.368 3.589 3.960 -0.006 0.000 0.218 275 G C 1.547 176.450 174.900 0.006 0.000 1.164 275 G CA 1.134 46.254 45.100 0.033 0.000 0.768 275 G HN 0.153 nan 8.290 nan 0.000 0.560 276 M N 0.526 120.129 119.600 0.005 0.000 2.267 276 M HA -0.037 4.440 4.480 -0.006 0.000 0.263 276 M C 2.594 178.879 176.300 -0.025 0.000 1.063 276 M CA 1.402 56.690 55.300 -0.019 0.000 1.090 276 M CB -0.263 32.330 32.600 -0.012 0.000 1.392 276 M HN 0.348 nan 8.290 nan 0.000 0.422 277 Q N -0.384 119.401 119.800 -0.024 0.000 2.119 277 Q HA -0.168 4.169 4.340 -0.006 0.000 0.201 277 Q C 1.456 177.442 176.000 -0.023 0.000 0.972 277 Q CA 1.429 57.210 55.803 -0.037 0.000 0.847 277 Q CB -0.172 28.534 28.738 -0.054 0.000 0.903 277 Q HN 0.561 nan 8.270 nan 0.000 0.433 278 D N 0.993 121.384 120.400 -0.014 0.000 2.092 278 D HA -0.146 4.490 4.640 -0.006 0.000 0.203 278 D C 1.945 178.241 176.300 -0.007 0.000 0.978 278 D CA 0.558 54.561 54.000 0.005 0.000 0.861 278 D CB -0.645 40.157 40.800 0.003 0.000 1.005 278 D HN 0.096 nan 8.370 nan 0.000 0.450 279 L N 0.776 121.978 121.223 -0.035 0.000 2.040 279 L HA -0.271 4.066 4.340 -0.006 0.000 0.228 279 L C 2.525 179.323 176.870 -0.120 0.000 1.092 279 L CA 1.461 56.259 54.840 -0.070 0.000 0.805 279 L CB -0.362 41.659 42.059 -0.062 0.000 0.905 279 L HN 0.075 nan 8.230 nan 0.000 0.443 280 L N -1.142 120.018 121.223 -0.106 0.000 2.187 280 L HA -0.286 4.051 4.340 -0.006 0.000 0.213 280 L C 2.498 179.166 176.870 -0.338 0.000 1.100 280 L CA 1.208 55.953 54.840 -0.158 0.000 0.765 280 L CB -0.743 41.270 42.059 -0.076 0.000 0.904 280 L HN 0.484 nan 8.230 nan 0.000 0.437 281 H N 0.416 119.258 119.070 -0.380 0.000 2.423 281 H HA -0.096 4.457 4.556 -0.006 0.000 0.297 281 H C 2.273 177.139 175.328 -0.770 0.000 1.075 281 H CA 1.412 57.122 56.048 -0.564 0.000 1.342 281 H CB 0.140 29.788 29.762 -0.190 0.000 1.395 281 H HN 0.143 nan 8.280 nan 0.000 0.530 282 R N -0.343 119.854 120.500 -0.503 0.000 2.127 282 R HA -0.160 4.177 4.340 -0.006 0.000 0.228 282 R C 2.313 178.289 176.300 -0.541 0.000 1.125 282 R CA 2.048 57.888 56.100 -0.433 0.000 0.904 282 R CB -0.925 29.231 30.300 -0.241 0.000 0.831 282 R HN 0.170 nan 8.270 nan 0.000 0.431 283 V N 1.274 120.917 119.914 -0.453 0.000 2.295 283 V HA -0.343 3.774 4.120 -0.006 0.000 0.262 283 V C 2.097 177.989 176.094 -0.337 0.000 1.098 283 V CA 2.574 64.662 62.300 -0.353 0.000 1.095 283 V CB -1.179 30.472 31.823 -0.287 0.000 0.704 283 V HN 0.661 nan 8.190 nan 0.000 0.454 284 H N -0.966 117.954 119.070 -0.250 0.000 2.622 284 H HA 0.489 5.041 4.556 -0.006 0.000 0.269 284 H C 1.655 176.883 175.328 -0.166 0.000 0.977 284 H CA 0.307 56.255 56.048 -0.166 0.000 1.179 284 H CB -0.303 29.368 29.762 -0.152 0.000 1.458 284 H HN 0.437 nan 8.280 nan 0.000 0.531 285 G N 0.373 108.912 108.800 -0.437 0.000 2.225 285 G HA2 -0.218 3.738 3.960 -0.006 0.000 0.272 285 G HA3 -0.218 3.738 3.960 -0.006 0.000 0.272 285 G C 1.370 176.189 174.900 -0.134 0.000 0.996 285 G CA 1.109 46.001 45.100 -0.347 0.000 0.710 285 G HN 1.574 nan 8.290 nan 0.000 0.522 286 G N -1.118 107.839 108.800 0.261 0.000 2.195 286 G HA2 -0.216 3.741 3.960 -0.006 0.000 0.224 286 G HA3 -0.216 3.741 3.960 -0.006 0.000 0.224 286 G C 0.178 175.337 174.900 0.431 0.000 0.990 286 G CA 0.671 46.100 45.100 0.549 0.000 0.639 286 G HN 1.767 nan 8.290 nan 0.000 0.514 287 N N 0.994 119.886 118.700 0.320 0.000 2.427 287 N HA 0.311 5.047 4.740 -0.006 0.000 0.269 287 N C 1.622 177.287 175.510 0.259 0.000 1.235 287 N CA 0.472 53.656 53.050 0.223 0.000 0.934 287 N CB 0.125 38.705 38.487 0.154 0.000 1.121 287 N HN 0.349 nan 8.380 nan 0.000 0.480 288 I N 2.587 123.258 120.570 0.169 0.000 2.290 288 I HA -0.400 3.767 4.170 -0.006 0.000 0.253 288 I C 1.305 177.521 176.117 0.164 0.000 1.112 288 I CA 1.534 62.903 61.300 0.116 0.000 1.377 288 I CB 0.043 38.074 38.000 0.051 0.000 1.060 288 I HN 0.615 nan 8.210 nan 0.000 0.428 289 T N 0.156 114.800 114.554 0.150 0.000 2.814 289 T HA -0.111 4.235 4.350 -0.006 0.000 0.254 289 T C 1.805 176.594 174.700 0.149 0.000 1.037 289 T CA 1.018 63.196 62.100 0.129 0.000 1.143 289 T CB -0.059 68.860 68.868 0.085 0.000 0.866 289 T HN 0.295 nan 8.240 nan 0.000 0.431 290 K N 0.115 120.611 120.400 0.159 0.000 2.160 290 K HA -0.140 4.177 4.320 -0.006 0.000 0.206 290 K C 2.055 178.785 176.600 0.218 0.000 1.047 290 K CA 1.065 57.445 56.287 0.154 0.000 0.930 290 K CB -0.076 32.509 32.500 0.141 0.000 0.720 290 K HN 0.380 nan 8.250 nan 0.000 0.450 291 W N 1.202 122.528 121.300 0.044 0.000 2.418 291 W HA -0.141 4.516 4.660 -0.006 0.000 0.319 291 W C 1.804 178.255 176.519 -0.113 0.000 1.183 291 W CA 0.817 58.105 57.345 -0.094 0.000 1.327 291 W CB -0.771 28.536 29.460 -0.255 0.000 1.163 291 W HN -0.246 nan 8.180 nan 0.000 0.479 292 V N 1.594 121.673 119.914 0.274 0.000 2.527 292 V HA -0.331 3.785 4.120 -0.006 0.000 0.255 292 V C 2.417 178.522 176.094 0.018 0.000 1.081 292 V CA 1.792 64.172 62.300 0.135 0.000 1.092 292 V CB -0.960 30.963 31.823 0.167 0.000 0.673 292 V HN 0.150 nan 8.190 nan 0.000 0.470 293 L N -1.490 119.759 121.223 0.044 0.000 2.034 293 L HA -0.145 4.191 4.340 -0.006 0.000 0.203 293 L C 2.444 179.292 176.870 -0.037 0.000 1.074 293 L CA 1.908 56.757 54.840 0.014 0.000 0.748 293 L CB -0.493 41.591 42.059 0.041 0.000 0.905 293 L HN 0.290 nan 8.230 nan 0.000 0.439 294 M N -0.098 119.484 119.600 -0.029 0.000 2.337 294 M HA -0.156 4.321 4.480 -0.006 0.000 0.261 294 M C 1.825 178.009 176.300 -0.193 0.000 1.067 294 M CA 1.781 57.043 55.300 -0.063 0.000 1.074 294 M CB -0.388 32.194 32.600 -0.030 0.000 1.395 294 M HN 0.326 nan 8.290 nan 0.000 0.431 295 G N -0.383 108.178 108.800 -0.398 0.000 2.616 295 G HA2 -0.140 3.816 3.960 -0.006 0.000 0.215 295 G HA3 -0.140 3.816 3.960 -0.006 0.000 0.215 295 G C 1.323 176.003 174.900 -0.367 0.000 1.284 295 G CA 0.709 45.249 45.100 -0.933 0.000 0.823 295 G HN 0.555 nan 8.290 nan 0.000 0.569 296 G N 1.090 109.766 108.800 -0.206 0.000 2.562 296 G HA2 -0.049 3.907 3.960 -0.006 0.000 0.223 296 G HA3 -0.049 3.907 3.960 -0.006 0.000 0.223 296 G C 1.947 176.741 174.900 -0.177 0.000 1.102 296 G CA 1.774 46.801 45.100 -0.120 0.000 0.742 296 G HN 0.743 nan 8.290 nan 0.000 0.587 297 A N 0.882 123.642 122.820 -0.100 0.000 1.858 297 A HA 0.050 4.367 4.320 -0.006 0.000 0.216 297 A C 2.400 179.942 177.584 -0.070 0.000 1.190 297 A CA 1.417 53.444 52.037 -0.017 0.000 0.617 297 A CB -0.323 18.700 19.000 0.039 0.000 0.827 297 A HN 0.383 nan 8.150 nan 0.000 0.443 298 I N -0.364 120.172 120.570 -0.056 0.000 2.353 298 I HA -0.120 4.047 4.170 -0.006 0.000 0.248 298 I C 2.606 178.705 176.117 -0.030 0.000 1.119 298 I CA 1.008 62.303 61.300 -0.008 0.000 1.417 298 I CB -0.777 37.250 38.000 0.045 0.000 1.078 298 I HN 0.387 nan 8.210 nan 0.000 0.421 299 G N 0.787 109.554 108.800 -0.054 0.000 2.471 299 G HA2 -0.125 3.832 3.960 -0.006 0.000 0.219 299 G HA3 -0.125 3.832 3.960 -0.006 0.000 0.219 299 G C 1.645 176.427 174.900 -0.196 0.000 1.125 299 G CA 0.811 45.885 45.100 -0.045 0.000 0.775 299 G HN 0.498 nan 8.290 nan 0.000 0.548 300 G N 0.868 109.399 108.800 -0.447 0.000 2.408 300 G HA2 -0.032 3.925 3.960 -0.006 0.000 0.213 300 G HA3 -0.032 3.925 3.960 -0.006 0.000 0.213 300 G C 1.674 176.343 174.900 -0.385 0.000 1.177 300 G CA 0.753 45.314 45.100 -0.899 0.000 0.802 300 G HN 0.386 nan 8.290 nan 0.000 0.533 301 L N 0.848 121.989 121.223 -0.138 0.000 2.197 301 L HA -0.120 4.217 4.340 -0.006 0.000 0.215 301 L C 2.475 179.385 176.870 0.066 0.000 1.095 301 L CA 1.532 56.426 54.840 0.090 0.000 0.764 301 L CB -0.757 41.359 42.059 0.095 0.000 0.897 301 L HN 0.262 nan 8.230 nan 0.000 0.436 302 C N -0.578 118.729 119.300 0.013 0.000 2.544 302 C HA 0.137 4.594 4.460 -0.006 0.000 0.280 302 C C 2.721 177.735 174.990 0.041 0.000 1.295 302 C CA 0.341 59.382 59.018 0.038 0.000 1.702 302 C CB -1.682 26.079 27.740 0.036 0.000 2.090 302 C HN 0.707 nan 8.230 nan 0.000 0.493 303 G N 0.193 108.988 108.800 -0.007 0.000 2.537 303 G HA2 -0.213 3.743 3.960 -0.006 0.000 0.220 303 G HA3 -0.213 3.743 3.960 -0.006 0.000 0.220 303 G C 1.535 176.467 174.900 0.053 0.000 1.111 303 G CA 0.869 45.969 45.100 -0.000 0.000 0.748 303 G HN 0.583 nan 8.290 nan 0.000 0.564 304 L N -0.869 120.414 121.223 0.100 0.000 2.200 304 L HA 0.353 4.690 4.340 -0.006 0.000 0.200 304 L C 2.562 179.554 176.870 0.203 0.000 1.072 304 L CA 0.356 55.294 54.840 0.164 0.000 0.787 304 L CB -0.008 42.180 42.059 0.213 0.000 0.957 304 L HN 0.134 nan 8.230 nan 0.000 0.459 305 L N -0.029 121.291 121.223 0.161 0.000 2.201 305 L HA -0.042 4.295 4.340 -0.006 0.000 0.212 305 L C 2.295 179.260 176.870 0.158 0.000 1.105 305 L CA 0.919 55.851 54.840 0.153 0.000 0.775 305 L CB -0.836 41.292 42.059 0.115 0.000 0.913 305 L HN 0.393 nan 8.230 nan 0.000 0.440 306 G N -1.352 107.541 108.800 0.155 0.000 2.653 306 G HA2 -0.237 3.720 3.960 -0.006 0.000 0.212 306 G HA3 -0.237 3.720 3.960 -0.006 0.000 0.212 306 G C 1.022 176.073 174.900 0.252 0.000 1.138 306 G CA 0.339 45.532 45.100 0.156 0.000 0.782 306 G HN 0.288 nan 8.290 nan 0.000 0.535 307 F N -0.262 119.720 119.950 0.054 0.000 2.268 307 F HA 0.118 4.645 4.527 -0.001 0.000 0.262 307 F C 2.340 178.186 175.800 0.077 0.000 0.910 307 F CA 0.637 58.669 58.000 0.053 0.000 1.142 307 F CB -0.264 38.751 39.000 0.026 0.000 1.229 307 F HN -0.009 nan 8.300 nan 0.000 0.781 308 V N -0.325 119.676 119.914 0.146 0.000 2.594 308 V HA 0.253 4.370 4.120 -0.006 0.000 0.253 308 V C 0.780 176.911 176.094 0.061 0.000 1.069 308 V CA 1.322 63.658 62.300 0.061 0.000 1.082 308 V CB -1.443 30.471 31.823 0.151 0.000 0.680 308 V HN 0.508 nan 8.190 nan 0.000 0.469 309 A N -0.792 122.090 122.820 0.103 0.000 3.399 309 A HA 0.636 4.952 4.320 -0.006 0.000 0.262 309 A C -1.402 176.248 177.584 0.111 0.000 1.145 309 A CA -0.412 51.705 52.037 0.133 0.000 0.916 309 A CB 0.284 19.428 19.000 0.239 0.000 1.360 309 A HN 0.293 nan 8.150 nan 0.000 0.628 310 P HA -0.354 nan 4.420 nan 0.000 0.221 310 P C 1.850 179.198 177.300 0.080 0.000 1.153 310 P CA 2.705 65.863 63.100 0.096 0.000 0.858 310 P CB 0.311 32.070 31.700 0.099 0.000 0.783 311 A N -0.804 122.056 122.820 0.067 0.000 1.858 311 A HA -0.210 4.106 4.320 -0.006 0.000 0.216 311 A C 2.343 179.902 177.584 -0.040 0.000 1.190 311 A CA 2.739 54.780 52.037 0.007 0.000 0.617 311 A CB -1.978 16.977 19.000 -0.076 0.000 0.827 311 A HN 0.359 nan 8.150 nan 0.000 0.443 312 T N -2.278 112.237 114.554 -0.066 0.000 2.699 312 T HA -0.106 4.241 4.350 -0.006 0.000 0.268 312 T C 1.586 176.270 174.700 -0.028 0.000 1.036 312 T CA 1.735 63.771 62.100 -0.107 0.000 1.147 312 T CB -0.646 68.158 68.868 -0.107 0.000 0.862 312 T HN 0.405 nan 8.240 nan 0.000 0.446 313 S N -0.123 115.589 115.700 0.020 0.000 2.481 313 S HA 0.548 5.014 4.470 -0.006 0.000 0.267 313 S C 0.956 175.580 174.600 0.040 0.000 1.174 313 S CA 0.206 58.431 58.200 0.040 0.000 1.027 313 S CB -0.011 63.228 63.200 0.064 0.000 1.117 313 S HN 1.598 nan 8.310 nan 0.000 0.495 314 G N -0.588 108.240 108.800 0.047 0.000 2.916 314 G HA2 -0.084 3.873 3.960 -0.006 0.000 0.533 314 G HA3 -0.084 3.873 3.960 -0.006 0.000 0.533 314 G C 0.819 175.728 174.900 0.015 0.000 1.516 314 G CA -0.005 45.119 45.100 0.040 0.000 0.944 314 G HN 1.410 nan 8.290 nan 0.000 0.555 315 G N -0.948 107.847 108.800 -0.008 0.000 2.440 315 G HA2 0.350 4.307 3.960 -0.006 0.000 0.218 315 G HA3 0.350 4.307 3.960 -0.006 0.000 0.218 315 G C 1.895 176.705 174.900 -0.150 0.000 1.154 315 G CA 2.344 47.393 45.100 -0.085 0.000 0.767 315 G HN 2.686 nan 8.290 nan 0.000 0.552 316 G N -1.394 107.353 108.800 -0.089 0.000 2.545 316 G HA2 -0.193 3.764 3.960 -0.006 0.000 0.195 316 G HA3 -0.193 3.764 3.960 -0.006 0.000 0.195 316 G C 1.042 175.997 174.900 0.092 0.000 1.009 316 G CA 0.508 45.581 45.100 -0.044 0.000 0.703 316 G HN 0.170 nan 8.290 nan 0.000 0.479 317 F N 2.042 122.047 119.950 0.093 0.000 2.014 317 F HA 0.058 4.581 4.527 -0.007 0.000 0.295 317 F C 2.494 178.347 175.800 0.088 0.000 1.145 317 F CA 1.658 59.710 58.000 0.087 0.000 1.178 317 F CB -1.293 37.767 39.000 0.100 0.000 0.972 317 F HN 0.165 nan 8.300 nan 0.000 0.476 318 N N 0.481 119.364 118.700 0.306 0.000 2.200 318 N HA -0.249 4.488 4.740 -0.006 0.000 0.199 318 N C 1.553 177.180 175.510 0.196 0.000 0.987 318 N CA 2.065 55.239 53.050 0.206 0.000 0.908 318 N CB -0.735 37.852 38.487 0.167 0.000 1.035 318 N HN 0.408 nan 8.380 nan 0.000 0.481 319 L N -2.125 119.228 121.223 0.217 0.000 2.446 319 L HA 0.302 4.639 4.340 -0.006 0.000 0.219 319 L C 1.606 178.630 176.870 0.257 0.000 1.116 319 L CA 0.862 55.859 54.840 0.263 0.000 0.844 319 L CB -0.406 41.803 42.059 0.250 0.000 0.970 319 L HN 0.082 nan 8.230 nan 0.000 0.457 320 I N 0.721 121.419 120.570 0.214 0.000 2.127 320 I HA -0.176 3.990 4.170 -0.006 0.000 0.241 320 I C -0.084 176.108 176.117 0.124 0.000 1.075 320 I CA 1.550 62.953 61.300 0.171 0.000 1.334 320 I CB -1.582 36.513 38.000 0.158 0.000 1.040 320 I HN 0.285 nan 8.210 nan 0.000 0.405 321 P HA -0.163 nan 4.420 nan 0.000 0.215 321 P C 1.869 179.186 177.300 0.029 0.000 1.157 321 P CA 1.619 64.747 63.100 0.046 0.000 0.868 321 P CB -0.046 31.675 31.700 0.034 0.000 0.788 322 I N -0.965 119.622 120.570 0.029 0.000 2.286 322 I HA -0.231 3.935 4.170 -0.006 0.000 0.248 322 I C 2.256 178.291 176.117 -0.136 0.000 1.115 322 I CA 1.525 62.756 61.300 -0.115 0.000 1.392 322 I CB -0.900 36.990 38.000 -0.184 0.000 1.065 322 I HN -0.077 nan 8.210 nan 0.000 0.418 323 A N 0.738 123.671 122.820 0.189 0.000 1.929 323 A HA -0.129 4.188 4.320 -0.006 0.000 0.216 323 A C 2.383 180.062 177.584 0.158 0.000 1.176 323 A CA 2.045 54.286 52.037 0.341 0.000 0.628 323 A CB -0.892 18.340 19.000 0.386 0.000 0.816 323 A HN 0.382 nan 8.150 nan 0.000 0.444 324 T N 0.381 114.995 114.554 0.100 0.000 2.777 324 T HA 0.048 4.395 4.350 -0.006 0.000 0.266 324 T C 2.156 176.880 174.700 0.039 0.000 1.040 324 T CA 1.285 63.426 62.100 0.069 0.000 1.141 324 T CB -0.380 68.517 68.868 0.047 0.000 0.868 324 T HN 0.545 nan 8.240 nan 0.000 0.444 325 A N 0.739 123.561 122.820 0.004 0.000 2.070 325 A HA 0.376 4.692 4.320 -0.006 0.000 0.220 325 A C 2.068 179.641 177.584 -0.020 0.000 1.159 325 A CA 1.333 53.360 52.037 -0.018 0.000 0.656 325 A CB -0.974 17.996 19.000 -0.050 0.000 0.800 325 A HN 0.919 nan 8.150 nan 0.000 0.453 326 G N -0.932 107.857 108.800 -0.019 0.000 2.130 326 G HA2 -0.251 3.705 3.960 -0.006 0.000 0.216 326 G HA3 -0.251 3.705 3.960 -0.006 0.000 0.216 326 G C 0.276 175.139 174.900 -0.060 0.000 0.999 326 G CA 0.373 45.473 45.100 -0.000 0.000 0.686 326 G HN 0.638 nan 8.290 nan 0.000 0.515 327 N N -0.717 117.859 118.700 -0.207 0.000 2.521 327 N HA 0.216 4.953 4.740 -0.006 0.000 0.188 327 N C -0.215 175.081 175.510 -0.356 0.000 1.146 327 N CA 0.231 53.094 53.050 -0.313 0.000 0.893 327 N CB 0.049 38.276 38.487 -0.432 0.000 0.975 327 N HN 0.376 nan 8.380 nan 0.000 0.451 328 F N 0.569 120.541 119.950 0.037 0.000 2.480 328 F HA 0.286 4.807 4.527 -0.011 0.000 0.329 328 F C 0.855 176.675 175.800 0.033 0.000 1.091 328 F CA -1.697 56.329 58.000 0.043 0.000 0.972 328 F CB 1.145 40.181 39.000 0.058 0.000 1.150 328 F HN -0.173 nan 8.300 nan 0.000 0.467 329 S N 2.297 118.137 115.700 0.232 0.000 2.600 329 S HA 0.171 4.637 4.470 -0.006 0.000 0.265 329 S C 1.200 175.870 174.600 0.117 0.000 1.325 329 S CA -0.679 57.596 58.200 0.125 0.000 1.002 329 S CB 0.759 64.010 63.200 0.085 0.000 0.921 329 S HN 0.816 nan 8.310 nan 0.000 0.554 330 M N 2.585 122.223 119.600 0.064 0.000 2.144 330 M HA 0.043 4.519 4.480 -0.006 0.000 0.260 330 M C 1.803 178.132 176.300 0.049 0.000 1.067 330 M CA 2.319 57.644 55.300 0.041 0.000 1.095 330 M CB -1.414 31.187 32.600 0.002 0.000 1.365 330 M HN 0.903 nan 8.290 nan 0.000 0.406 331 G N 0.164 108.994 108.800 0.050 0.000 2.552 331 G HA2 -0.301 3.656 3.960 -0.006 0.000 0.216 331 G HA3 -0.301 3.656 3.960 -0.006 0.000 0.216 331 G C 1.433 176.389 174.900 0.093 0.000 1.240 331 G CA 1.253 46.385 45.100 0.054 0.000 0.796 331 G HN 0.533 nan 8.290 nan 0.000 0.568 332 M N 0.512 120.172 119.600 0.101 0.000 2.195 332 M HA -0.089 4.388 4.480 -0.006 0.000 0.254 332 M C 2.253 178.615 176.300 0.102 0.000 1.083 332 M CA 1.263 56.643 55.300 0.134 0.000 1.069 332 M CB -0.434 32.258 32.600 0.154 0.000 1.364 332 M HN 0.261 nan 8.290 nan 0.000 0.403 333 L N -1.995 119.268 121.223 0.067 0.000 1.973 333 L HA -0.189 4.148 4.340 -0.006 0.000 0.208 333 L C 2.256 179.164 176.870 0.063 0.000 1.073 333 L CA 1.205 56.053 54.840 0.014 0.000 0.746 333 L CB -1.043 41.034 42.059 0.030 0.000 0.891 333 L HN 0.115 nan 8.230 nan 0.000 0.433 334 V N 0.216 120.186 119.914 0.093 0.000 2.278 334 V HA -0.389 3.727 4.120 -0.006 0.000 0.251 334 V C 2.198 178.409 176.094 0.195 0.000 1.062 334 V CA 2.432 64.820 62.300 0.147 0.000 1.038 334 V CB -0.816 31.077 31.823 0.118 0.000 0.646 334 V HN 0.397 nan 8.190 nan 0.000 0.447 335 F N 0.852 120.823 119.950 0.035 0.000 2.000 335 F HA -0.257 4.269 4.527 -0.002 0.000 0.296 335 F C 2.316 178.125 175.800 0.015 0.000 1.159 335 F CA 2.381 60.390 58.000 0.015 0.000 1.183 335 F CB -0.344 38.650 39.000 -0.010 0.000 0.959 335 F HN 0.041 nan 8.300 nan 0.000 0.490 336 I N -0.194 120.170 120.570 -0.344 0.000 2.229 336 I HA -0.355 3.812 4.170 -0.006 0.000 0.250 336 I C 2.312 178.304 176.117 -0.208 0.000 1.096 336 I CA 1.562 62.590 61.300 -0.455 0.000 1.358 336 I CB -0.857 36.959 38.000 -0.307 0.000 1.047 336 I HN 0.323 nan 8.210 nan 0.000 0.422 337 F N 1.816 121.640 119.950 -0.210 0.000 2.000 337 F HA -0.200 4.322 4.527 -0.007 0.000 0.295 337 F C 2.456 178.189 175.800 -0.112 0.000 1.159 337 F CA 1.817 59.733 58.000 -0.139 0.000 1.171 337 F CB -0.955 37.974 39.000 -0.118 0.000 0.971 337 F HN -0.234 nan 8.300 nan 0.000 0.479 338 V N 1.163 120.942 119.914 -0.225 0.000 2.277 338 V HA -0.403 3.713 4.120 -0.006 0.000 0.253 338 V C 2.779 178.731 176.094 -0.237 0.000 1.067 338 V CA 2.307 64.444 62.300 -0.272 0.000 1.047 338 V CB -1.932 29.845 31.823 -0.078 0.000 0.649 338 V HN 0.584 nan 8.190 nan 0.000 0.447 339 A N -0.330 122.307 122.820 -0.305 0.000 1.908 339 A HA -0.307 4.009 4.320 -0.006 0.000 0.218 339 A C 2.394 179.858 177.584 -0.200 0.000 1.181 339 A CA 2.382 54.230 52.037 -0.315 0.000 0.627 339 A CB -0.593 18.004 19.000 -0.672 0.000 0.818 339 A HN 0.536 nan 8.150 nan 0.000 0.445 340 R N -0.506 119.874 120.500 -0.200 0.000 2.070 340 R HA -0.096 4.240 4.340 -0.006 0.000 0.233 340 R C 2.003 178.286 176.300 -0.028 0.000 1.137 340 R CA 1.813 57.858 56.100 -0.091 0.000 0.945 340 R CB -0.595 29.671 30.300 -0.058 0.000 0.845 340 R HN 0.263 nan 8.270 nan 0.000 0.430 341 V N 1.524 121.380 119.914 -0.098 0.000 2.277 341 V HA -0.357 3.759 4.120 -0.006 0.000 0.253 341 V C 2.349 178.531 176.094 0.147 0.000 1.067 341 V CA 2.278 64.624 62.300 0.076 0.000 1.047 341 V CB -0.497 31.316 31.823 -0.017 0.000 0.649 341 V HN 0.358 nan 8.190 nan 0.000 0.447 342 I N 0.649 121.231 120.570 0.019 0.000 2.072 342 I HA -0.257 3.910 4.170 -0.006 0.000 0.235 342 I C 2.812 178.958 176.117 0.048 0.000 1.058 342 I CA 2.215 63.520 61.300 0.009 0.000 1.320 342 I CB -1.031 36.948 38.000 -0.036 0.000 1.047 342 I HN 0.499 nan 8.210 nan 0.000 0.397 343 T N -1.864 112.711 114.554 0.034 0.000 2.778 343 T HA -0.196 4.151 4.350 -0.006 0.000 0.269 343 T C 1.706 176.470 174.700 0.108 0.000 1.050 343 T CA 2.041 64.177 62.100 0.059 0.000 1.137 343 T CB -1.043 67.846 68.868 0.035 0.000 0.860 343 T HN 0.313 nan 8.240 nan 0.000 0.468 344 T N 2.114 116.752 114.554 0.141 0.000 2.812 344 T HA 0.199 4.545 4.350 -0.006 0.000 0.264 344 T C 1.955 176.811 174.700 0.259 0.000 1.042 344 T CA 0.824 63.050 62.100 0.210 0.000 1.140 344 T CB -0.415 68.615 68.868 0.270 0.000 0.870 344 T HN 0.273 nan 8.240 nan 0.000 0.445 345 L N 0.138 121.495 121.223 0.222 0.000 1.994 345 L HA -0.097 4.240 4.340 -0.006 0.000 0.208 345 L C 2.441 179.400 176.870 0.148 0.000 1.071 345 L CA 0.937 55.873 54.840 0.161 0.000 0.745 345 L CB -0.634 41.473 42.059 0.079 0.000 0.892 345 L HN 0.189 nan 8.230 nan 0.000 0.431 346 L N -0.346 120.945 121.223 0.114 0.000 1.951 346 L HA -0.325 4.011 4.340 -0.006 0.000 0.222 346 L C 2.740 179.705 176.870 0.158 0.000 1.078 346 L CA 2.042 56.944 54.840 0.103 0.000 0.778 346 L CB -0.880 41.228 42.059 0.082 0.000 0.893 346 L HN 0.350 nan 8.230 nan 0.000 0.436 347 C N -1.480 117.932 119.300 0.187 0.000 2.391 347 C HA -0.246 4.211 4.460 -0.006 0.000 0.276 347 C C 2.643 177.804 174.990 0.285 0.000 1.217 347 C CA 0.925 60.084 59.018 0.235 0.000 1.766 347 C CB -1.195 26.671 27.740 0.210 0.000 2.046 347 C HN 0.593 nan 8.230 nan 0.000 0.475 348 F N 1.497 121.523 119.950 0.126 0.000 2.179 348 F HA 0.007 4.530 4.527 -0.006 0.000 0.292 348 F C 2.491 178.359 175.800 0.113 0.000 1.089 348 F CA 1.669 59.740 58.000 0.118 0.000 1.295 348 F CB -0.652 38.425 39.000 0.129 0.000 1.041 348 F HN 0.036 nan 8.300 nan 0.000 0.487 349 S N -0.369 115.334 115.700 0.005 0.000 2.423 349 S HA -0.129 4.338 4.470 -0.006 0.000 0.231 349 S C 1.630 176.215 174.600 -0.025 0.000 1.014 349 S CA 1.048 59.194 58.200 -0.090 0.000 0.965 349 S CB -0.718 62.479 63.200 -0.006 0.000 0.785 349 S HN 0.462 nan 8.310 nan 0.000 0.495 350 S N 1.275 117.025 115.700 0.082 0.000 2.871 350 S HA 0.329 4.795 4.470 -0.006 0.000 0.254 350 S C 1.167 175.983 174.600 0.360 0.000 1.088 350 S CA 0.134 58.452 58.200 0.196 0.000 1.166 350 S CB -0.897 62.457 63.200 0.257 0.000 0.826 350 S HN 0.547 nan 8.310 nan 0.000 0.471 351 G N 0.656 109.564 108.800 0.180 0.000 2.473 351 G HA2 -0.150 3.806 3.960 -0.006 0.000 0.307 351 G HA3 -0.150 3.806 3.960 -0.006 0.000 0.307 351 G C 0.355 175.261 174.900 0.011 0.000 0.937 351 G CA 0.234 45.435 45.100 0.168 0.000 0.947 351 G HN 1.335 nan 8.290 nan 0.000 0.513 352 A N 0.432 123.190 122.820 -0.104 0.000 2.316 352 A HA 0.805 5.121 4.320 -0.006 0.000 0.284 352 A C -1.176 176.300 177.584 -0.180 0.000 1.115 352 A CA -1.361 50.401 52.037 -0.460 0.000 0.812 352 A CB 1.062 19.870 19.000 -0.321 0.000 1.064 352 A HN 0.258 nan 8.150 nan 0.000 0.489 353 P HA 0.420 nan 4.420 nan 0.000 0.271 353 P C 0.182 177.504 177.300 0.036 0.000 1.218 353 P CA 0.795 63.858 63.100 -0.061 0.000 0.780 353 P CB 0.919 32.576 31.700 -0.073 0.000 0.901 354 G N 0.581 109.424 108.800 0.072 0.000 2.653 354 G HA2 0.327 4.284 3.960 -0.006 0.000 0.656 354 G HA3 0.327 4.284 3.960 -0.006 0.000 0.656 354 G C -0.197 174.785 174.900 0.137 0.000 1.419 354 G CA -0.476 44.681 45.100 0.094 0.000 0.862 354 G HN 0.629 nan 8.290 nan 0.000 0.639 355 G N -0.647 108.183 108.800 0.051 0.000 2.667 355 G HA2 0.527 4.483 3.960 -0.006 0.000 0.250 355 G HA3 0.527 4.483 3.960 -0.006 0.000 0.250 355 G C 0.999 175.856 174.900 -0.072 0.000 1.212 355 G CA 0.116 45.231 45.100 0.025 0.000 0.874 355 G HN 1.433 nan 8.290 nan 0.000 0.561 356 I N -0.189 120.264 120.570 -0.195 0.000 4.154 356 I HA 0.247 4.414 4.170 -0.006 0.000 0.334 356 I C 1.398 177.503 176.117 -0.020 0.000 1.371 356 I CA -0.420 60.679 61.300 -0.336 0.000 1.110 356 I CB 0.018 37.448 38.000 -0.950 0.000 1.085 356 I HN 0.533 nan 8.210 nan 0.000 0.398 357 F N 2.133 122.066 119.950 -0.029 0.000 2.010 357 F HA -0.232 4.292 4.527 -0.005 0.000 0.296 357 F C 2.546 178.374 175.800 0.047 0.000 1.146 357 F CA 2.553 60.572 58.000 0.032 0.000 1.181 357 F CB -0.532 38.533 39.000 0.109 0.000 0.965 357 F HN 0.128 nan 8.300 nan 0.000 0.480 358 A N 0.245 123.261 122.820 0.326 0.000 1.892 358 A HA -0.190 4.127 4.320 -0.006 0.000 0.218 358 A C -0.207 177.355 177.584 -0.036 0.000 1.188 358 A CA 2.250 54.383 52.037 0.161 0.000 0.631 358 A CB -2.243 16.811 19.000 0.090 0.000 0.822 358 A HN 0.358 nan 8.150 nan 0.000 0.447 359 P HA -0.113 nan 4.420 nan 0.000 0.221 359 P C 1.498 178.777 177.300 -0.036 0.000 1.145 359 P CA 1.140 64.221 63.100 -0.033 0.000 0.795 359 P CB -0.105 31.599 31.700 0.007 0.000 0.775 360 M N -2.083 117.467 119.600 -0.084 0.000 2.349 360 M HA -0.031 4.446 4.480 -0.006 0.000 0.266 360 M C 1.798 178.022 176.300 -0.127 0.000 1.076 360 M CA 1.177 56.395 55.300 -0.136 0.000 1.126 360 M CB -0.471 32.001 32.600 -0.213 0.000 1.392 360 M HN -0.022 nan 8.290 nan 0.000 0.440 361 L N -0.373 120.771 121.223 -0.132 0.000 2.093 361 L HA -0.130 4.207 4.340 -0.006 0.000 0.208 361 L C 2.732 179.598 176.870 -0.006 0.000 1.085 361 L CA 1.106 55.887 54.840 -0.098 0.000 0.755 361 L CB -0.648 41.386 42.059 -0.041 0.000 0.904 361 L HN 0.267 nan 8.230 nan 0.000 0.435 362 A N -0.255 122.579 122.820 0.023 0.000 1.929 362 A HA -0.107 4.210 4.320 -0.006 0.000 0.216 362 A C 2.206 179.833 177.584 0.071 0.000 1.176 362 A CA 1.101 53.175 52.037 0.062 0.000 0.628 362 A CB -0.508 18.521 19.000 0.049 0.000 0.816 362 A HN 0.342 nan 8.150 nan 0.000 0.444 363 L N -0.817 120.447 121.223 0.068 0.000 2.141 363 L HA -0.067 4.269 4.340 -0.006 0.000 0.209 363 L C 2.739 179.708 176.870 0.165 0.000 1.094 363 L CA 0.972 55.902 54.840 0.150 0.000 0.763 363 L CB -0.477 41.656 42.059 0.122 0.000 0.908 363 L HN 0.483 nan 8.230 nan 0.000 0.437 364 G N -1.239 107.650 108.800 0.149 0.000 2.403 364 G HA2 -0.185 3.771 3.960 -0.006 0.000 0.216 364 G HA3 -0.185 3.771 3.960 -0.006 0.000 0.216 364 G C 1.569 176.551 174.900 0.137 0.000 1.154 364 G CA 1.011 46.252 45.100 0.235 0.000 0.784 364 G HN 0.233 nan 8.290 nan 0.000 0.538 365 T N 1.016 115.607 114.554 0.062 0.000 2.720 365 T HA -0.128 4.219 4.350 -0.006 0.000 0.268 365 T C 2.560 177.306 174.700 0.076 0.000 1.037 365 T CA 1.422 63.560 62.100 0.064 0.000 1.144 365 T CB -0.201 68.711 68.868 0.074 0.000 0.864 365 T HN 0.082 nan 8.240 nan 0.000 0.444 366 V N 1.302 121.250 119.914 0.056 0.000 2.379 366 V HA -0.028 4.089 4.120 -0.006 0.000 0.245 366 V C 2.321 178.347 176.094 -0.113 0.000 1.044 366 V CA 1.048 63.353 62.300 0.007 0.000 1.036 366 V CB -0.628 31.205 31.823 0.017 0.000 0.664 366 V HN 0.331 nan 8.190 nan 0.000 0.453 367 L N 1.463 122.546 121.223 -0.233 0.000 2.275 367 L HA 0.089 4.425 4.340 -0.006 0.000 0.215 367 L C 2.101 178.922 176.870 -0.081 0.000 1.119 367 L CA 2.098 56.676 54.840 -0.436 0.000 0.790 367 L CB -1.091 40.502 42.059 -0.777 0.000 0.919 367 L HN 0.229 nan 8.230 nan 0.000 0.443 368 G N -1.719 107.142 108.800 0.101 0.000 2.404 368 G HA2 -0.176 3.780 3.960 -0.006 0.000 0.213 368 G HA3 -0.176 3.780 3.960 -0.006 0.000 0.213 368 G C 1.388 176.389 174.900 0.168 0.000 1.189 368 G CA 0.869 46.078 45.100 0.182 0.000 0.796 368 G HN 0.373 nan 8.290 nan 0.000 0.532 369 T N 1.970 116.595 114.554 0.119 0.000 2.665 369 T HA -0.115 4.231 4.350 -0.006 0.000 0.268 369 T C 2.781 177.518 174.700 0.061 0.000 1.035 369 T CA 1.805 63.975 62.100 0.116 0.000 1.151 369 T CB -0.479 68.462 68.868 0.121 0.000 0.862 369 T HN 0.378 nan 8.240 nan 0.000 0.438 370 A N 1.258 124.083 122.820 0.007 0.000 1.851 370 A HA -0.110 4.207 4.320 -0.006 0.000 0.216 370 A C 2.035 179.570 177.584 -0.080 0.000 1.195 370 A CA 1.849 53.855 52.037 -0.051 0.000 0.622 370 A CB -1.247 17.680 19.000 -0.121 0.000 0.831 370 A HN 0.485 nan 8.150 nan 0.000 0.444 371 F N 1.178 121.013 119.950 -0.192 0.000 2.154 371 F HA -0.134 4.391 4.527 -0.004 0.000 0.301 371 F C 2.314 177.874 175.800 -0.400 0.000 1.087 371 F CA 1.632 59.466 58.000 -0.276 0.000 1.274 371 F CB -0.609 38.228 39.000 -0.271 0.000 1.009 371 F HN 0.220 nan 8.300 nan 0.000 0.485 372 G N 0.335 109.051 108.800 -0.140 0.000 2.446 372 G HA2 -0.286 3.671 3.960 -0.006 0.000 0.217 372 G HA3 -0.286 3.671 3.960 -0.006 0.000 0.217 372 G C 1.649 176.431 174.900 -0.196 0.000 1.168 372 G CA 1.118 46.105 45.100 -0.188 0.000 0.771 372 G HN 0.397 nan 8.290 nan 0.000 0.551 373 M N 0.034 119.560 119.600 -0.122 0.000 2.159 373 M HA -0.054 4.423 4.480 -0.006 0.000 0.263 373 M C 2.654 178.843 176.300 -0.186 0.000 1.063 373 M CA 0.878 56.114 55.300 -0.105 0.000 1.110 373 M CB -0.374 32.191 32.600 -0.058 0.000 1.374 373 M HN 0.107 nan 8.290 nan 0.000 0.411 374 V N 0.438 120.175 119.914 -0.295 0.000 2.515 374 V HA -0.217 3.899 4.120 -0.006 0.000 0.250 374 V C 2.631 178.506 176.094 -0.366 0.000 1.058 374 V CA 1.836 63.934 62.300 -0.335 0.000 1.064 374 V CB -1.096 30.476 31.823 -0.418 0.000 0.675 374 V HN 0.487 nan 8.190 nan 0.000 0.461 375 A N 0.129 122.659 122.820 -0.483 0.000 1.841 375 A HA -0.151 4.165 4.320 -0.006 0.000 0.214 375 A C 2.245 179.797 177.584 -0.054 0.000 1.195 375 A CA 1.854 53.707 52.037 -0.306 0.000 0.611 375 A CB -0.822 17.783 19.000 -0.659 0.000 0.835 375 A HN 0.334 nan 8.150 nan 0.000 0.443 376 V N 0.506 120.381 119.914 -0.066 0.000 2.909 376 V HA -0.242 3.874 4.120 -0.006 0.000 0.265 376 V C 2.208 178.271 176.094 -0.050 0.000 1.128 376 V CA 2.097 64.401 62.300 0.007 0.000 1.149 376 V CB -0.946 30.885 31.823 0.015 0.000 0.725 376 V HN 0.523 nan 8.190 nan 0.000 0.511 377 E N -0.211 119.916 120.200 -0.122 0.000 2.110 377 E HA 0.121 4.467 4.350 -0.006 0.000 0.194 377 E C 2.196 178.633 176.600 -0.272 0.000 0.944 377 E CA 0.325 56.624 56.400 -0.169 0.000 0.899 377 E CB -0.171 29.422 29.700 -0.178 0.000 0.907 377 E HN 0.428 nan 8.360 nan 0.000 0.473 378 L N 0.370 121.334 121.223 -0.432 0.000 2.197 378 L HA -0.133 4.204 4.340 -0.006 0.000 0.215 378 L C 0.550 176.730 176.870 -1.151 0.000 1.095 378 L CA 1.173 55.508 54.840 -0.840 0.000 0.764 378 L CB -0.412 40.944 42.059 -1.171 0.000 0.897 378 L HN 0.009 nan 8.230 nan 0.000 0.436 379 F N -0.541 119.276 119.950 -0.221 0.000 2.564 379 F HA 0.313 4.836 4.527 -0.005 0.000 0.361 379 F C -1.549 174.137 175.800 -0.189 0.000 1.161 379 F CA -1.823 55.993 58.000 -0.307 0.000 1.198 379 F CB 0.378 39.046 39.000 -0.554 0.000 1.424 379 F HN -0.211 nan 8.300 nan 0.000 0.517 380 P HA -0.178 nan 4.420 nan 0.000 0.222 380 P C 1.135 178.353 177.300 -0.135 0.000 1.153 380 P CA 1.131 64.172 63.100 -0.099 0.000 0.798 380 P CB 0.315 31.945 31.700 -0.115 0.000 0.796 381 Q N -1.376 118.416 119.800 -0.013 0.000 2.482 381 Q HA -0.097 4.240 4.340 -0.006 0.000 0.209 381 Q C 0.682 176.958 176.000 0.460 0.000 0.961 381 Q CA 0.933 56.817 55.803 0.134 0.000 0.945 381 Q CB -0.617 28.224 28.738 0.172 0.000 1.012 381 Q HN 0.259 nan 8.270 nan 0.000 0.515 382 Y N 0.670 121.095 120.300 0.209 0.000 2.458 382 Y HA 0.168 4.715 4.550 -0.006 0.000 0.256 382 Y C -0.210 175.874 175.900 0.307 0.000 1.159 382 Y CA -0.699 57.558 58.100 0.262 0.000 1.261 382 Y CB -0.385 38.199 38.460 0.206 0.000 1.119 382 Y HN 0.291 nan 8.280 nan 0.000 0.524 383 H N -0.565 118.657 119.070 0.253 0.000 2.496 383 H HA -0.187 4.366 4.556 -0.005 0.000 0.323 383 H C -0.095 175.330 175.328 0.162 0.000 1.054 383 H CA 0.307 56.451 56.048 0.160 0.000 1.095 383 H CB -1.977 27.853 29.762 0.113 0.000 1.595 383 H HN 0.194 nan 8.280 nan 0.000 0.388 384 L N 0.344 121.723 121.223 0.260 0.000 2.479 384 L HA 0.360 4.697 4.340 -0.006 0.000 0.249 384 L C 0.947 177.933 176.870 0.193 0.000 1.178 384 L CA -0.183 54.813 54.840 0.260 0.000 0.811 384 L CB 0.850 43.124 42.059 0.359 0.000 1.187 384 L HN 0.528 nan 8.230 nan 0.000 0.480 385 E N -0.049 120.265 120.200 0.190 0.000 2.409 385 E HA 0.327 4.674 4.350 -0.006 0.000 0.259 385 E C 0.203 176.915 176.600 0.186 0.000 0.932 385 E CA -0.254 56.230 56.400 0.139 0.000 0.809 385 E CB 1.562 31.312 29.700 0.083 0.000 1.341 385 E HN 0.665 nan 8.360 nan 0.000 0.405 386 A N 3.952 126.895 122.820 0.205 0.000 1.984 386 A HA -0.324 3.993 4.320 -0.006 0.000 0.224 386 A C 1.979 179.710 177.584 0.244 0.000 1.256 386 A CA 2.601 54.791 52.037 0.255 0.000 0.679 386 A CB -1.399 17.684 19.000 0.138 0.000 0.829 386 A HN 0.861 nan 8.150 nan 0.000 0.483 387 G N -0.818 108.062 108.800 0.134 0.000 2.505 387 G HA2 -0.348 3.609 3.960 -0.006 0.000 0.220 387 G HA3 -0.348 3.609 3.960 -0.006 0.000 0.220 387 G C 1.752 176.684 174.900 0.053 0.000 1.145 387 G CA 2.660 47.810 45.100 0.084 0.000 0.761 387 G HN 0.905 nan 8.290 nan 0.000 0.571 388 T N -0.531 114.019 114.554 -0.007 0.000 2.684 388 T HA -0.160 4.187 4.350 -0.006 0.000 0.267 388 T C 2.118 176.752 174.700 -0.110 0.000 1.036 388 T CA 1.500 63.523 62.100 -0.127 0.000 1.148 388 T CB -0.620 68.086 68.868 -0.269 0.000 0.863 388 T HN 0.233 nan 8.240 nan 0.000 0.436 389 F N 2.245 122.265 119.950 0.116 0.000 2.293 389 F HA 0.238 4.761 4.527 -0.006 0.000 0.300 389 F C 2.930 178.759 175.800 0.049 0.000 1.086 389 F CA 0.454 58.496 58.000 0.071 0.000 1.375 389 F CB -0.792 38.235 39.000 0.045 0.000 1.045 389 F HN 0.270 nan 8.300 nan 0.000 0.516 390 A N 0.935 123.875 122.820 0.200 0.000 1.835 390 A HA -0.153 4.163 4.320 -0.006 0.000 0.215 390 A C 2.190 179.799 177.584 0.042 0.000 1.199 390 A CA 1.582 53.689 52.037 0.117 0.000 0.615 390 A CB -1.096 17.964 19.000 0.100 0.000 0.838 390 A HN 0.350 nan 8.150 nan 0.000 0.444 391 I N -0.162 120.417 120.570 0.015 0.000 2.530 391 I HA -0.275 3.892 4.170 -0.006 0.000 0.257 391 I C 2.722 178.800 176.117 -0.064 0.000 1.179 391 I CA 0.888 62.166 61.300 -0.036 0.000 1.440 391 I CB -0.355 37.616 38.000 -0.048 0.000 1.087 391 I HN 0.418 nan 8.210 nan 0.000 0.440 392 A N 0.681 123.485 122.820 -0.026 0.000 1.898 392 A HA 0.041 4.357 4.320 -0.006 0.000 0.214 392 A C 2.317 179.820 177.584 -0.136 0.000 1.183 392 A CA 1.384 53.401 52.037 -0.034 0.000 0.622 392 A CB -0.948 18.152 19.000 0.166 0.000 0.824 392 A HN 0.410 nan 8.150 nan 0.000 0.444 393 G N -1.110 107.599 108.800 -0.152 0.000 2.985 393 G HA2 0.092 4.049 3.960 -0.006 0.000 0.209 393 G HA3 0.092 4.049 3.960 -0.006 0.000 0.209 393 G C 1.298 175.935 174.900 -0.438 0.000 1.165 393 G CA 0.606 45.440 45.100 -0.442 0.000 0.776 393 G HN 0.451 nan 8.290 nan 0.000 0.541 394 M N 0.724 120.186 119.600 -0.230 0.000 2.213 394 M HA 0.063 4.540 4.480 -0.006 0.000 0.263 394 M C 1.983 178.136 176.300 -0.245 0.000 1.062 394 M CA 1.694 56.886 55.300 -0.180 0.000 1.105 394 M CB 0.135 32.666 32.600 -0.114 0.000 1.385 394 M HN 0.162 nan 8.290 nan 0.000 0.417 395 G N -1.456 107.173 108.800 -0.286 0.000 3.453 395 G HA2 0.405 4.362 3.960 -0.006 0.000 0.263 395 G HA3 0.405 4.362 3.960 -0.006 0.000 0.263 395 G C 1.060 175.758 174.900 -0.337 0.000 1.060 395 G CA 0.400 45.326 45.100 -0.289 0.000 0.793 395 G HN 0.519 nan 8.290 nan 0.000 0.532 396 A N 0.377 122.888 122.820 -0.515 0.000 1.968 396 A HA 0.157 4.473 4.320 -0.006 0.000 0.217 396 A C 2.125 179.486 177.584 -0.371 0.000 1.169 396 A CA 0.936 52.585 52.037 -0.646 0.000 0.638 396 A CB -0.151 17.952 19.000 -1.495 0.000 0.812 396 A HN 0.357 nan 8.150 nan 0.000 0.446 397 L N -0.289 120.781 121.223 -0.255 0.000 2.072 397 L HA 0.033 4.369 4.340 -0.006 0.000 0.205 397 L C 2.211 179.000 176.870 -0.135 0.000 1.079 397 L CA 1.292 56.127 54.840 -0.009 0.000 0.752 397 L CB -0.423 41.643 42.059 0.012 0.000 0.906 397 L HN 0.376 nan 8.230 nan 0.000 0.436 398 L N -0.917 120.150 121.223 -0.259 0.000 2.351 398 L HA -0.224 4.112 4.340 -0.006 0.000 0.220 398 L C 2.302 179.068 176.870 -0.173 0.000 1.127 398 L CA 1.010 55.661 54.840 -0.315 0.000 0.786 398 L CB -0.696 41.093 42.059 -0.451 0.000 0.914 398 L HN 0.376 nan 8.230 nan 0.000 0.443 399 A N -0.855 121.878 122.820 -0.145 0.000 1.973 399 A HA 0.233 4.549 4.320 -0.006 0.000 0.210 399 A C 2.361 179.911 177.584 -0.056 0.000 1.200 399 A CA 0.853 52.833 52.037 -0.095 0.000 0.707 399 A CB -0.210 18.721 19.000 -0.115 0.000 0.862 399 A HN 0.296 nan 8.150 nan 0.000 0.461 400 A N -0.916 121.890 122.820 -0.024 0.000 2.030 400 A HA 0.215 4.531 4.320 -0.006 0.000 0.215 400 A C 2.220 179.805 177.584 0.001 0.000 1.164 400 A CA 1.613 53.658 52.037 0.013 0.000 0.697 400 A CB -0.288 18.770 19.000 0.096 0.000 0.827 400 A HN 0.378 nan 8.150 nan 0.000 0.457 401 S N -0.274 115.422 115.700 -0.006 0.000 2.346 401 S HA 0.149 4.616 4.470 -0.006 0.000 0.204 401 S C 1.648 176.229 174.600 -0.031 0.000 1.008 401 S CA 0.783 58.986 58.200 0.005 0.000 0.925 401 S CB -0.393 62.835 63.200 0.047 0.000 0.903 401 S HN 0.450 nan 8.310 nan 0.000 0.537 402 I N 1.365 121.875 120.570 -0.101 0.000 2.916 402 I HA -0.016 4.151 4.170 -0.006 0.000 0.267 402 I C 0.344 176.431 176.117 -0.050 0.000 1.263 402 I CA 0.526 61.736 61.300 -0.151 0.000 1.471 402 I CB -0.258 37.576 38.000 -0.278 0.000 1.089 402 I HN 0.235 nan 8.210 nan 0.000 0.468 403 R N 0.415 120.892 120.500 -0.038 0.000 3.525 403 R HA -0.178 4.159 4.340 -0.006 0.000 0.276 403 R C -0.006 176.290 176.300 -0.006 0.000 1.116 403 R CA 0.790 56.876 56.100 -0.023 0.000 0.745 403 R CB -2.218 28.074 30.300 -0.013 0.000 1.185 403 R HN 0.443 nan 8.270 nan 0.000 0.454 404 A N 0.106 122.935 122.820 0.015 0.000 3.159 404 A HA 0.440 4.756 4.320 -0.006 0.000 0.330 404 A C -0.983 176.629 177.584 0.047 0.000 1.032 404 A CA -0.992 51.080 52.037 0.057 0.000 0.841 404 A CB 0.916 20.013 19.000 0.162 0.000 1.093 404 A HN -0.024 nan 8.150 nan 0.000 0.478 405 P HA -0.197 nan 4.420 nan 0.000 0.214 405 P C 1.630 178.928 177.300 -0.004 0.000 1.163 405 P CA 0.816 63.902 63.100 -0.024 0.000 0.883 405 P CB 0.157 31.831 31.700 -0.043 0.000 0.788 406 L N -0.158 121.069 121.223 0.007 0.000 2.197 406 L HA -0.146 4.191 4.340 -0.006 0.000 0.215 406 L C 2.139 179.034 176.870 0.040 0.000 1.095 406 L CA 2.218 57.067 54.840 0.015 0.000 0.764 406 L CB -1.725 40.342 42.059 0.013 0.000 0.897 406 L HN -0.036 nan 8.230 nan 0.000 0.436 407 T N -1.112 113.493 114.554 0.086 0.000 2.852 407 T HA 0.051 4.398 4.350 -0.006 0.000 0.256 407 T C 1.655 176.413 174.700 0.097 0.000 1.038 407 T CA 0.848 63.030 62.100 0.137 0.000 1.141 407 T CB -0.522 68.528 68.868 0.303 0.000 0.869 407 T HN 0.546 nan 8.240 nan 0.000 0.439 408 G N 1.790 110.629 108.800 0.065 0.000 2.491 408 G HA2 -0.191 3.766 3.960 -0.006 0.000 0.218 408 G HA3 -0.191 3.766 3.960 -0.006 0.000 0.218 408 G C 1.504 176.369 174.900 -0.057 0.000 1.180 408 G CA 0.758 45.842 45.100 -0.026 0.000 0.774 408 G HN 0.494 nan 8.290 nan 0.000 0.562 409 I N 0.519 121.059 120.570 -0.050 0.000 2.286 409 I HA -0.118 4.048 4.170 -0.006 0.000 0.248 409 I C 2.507 178.605 176.117 -0.033 0.000 1.115 409 I CA 0.921 62.187 61.300 -0.056 0.000 1.392 409 I CB -0.163 37.808 38.000 -0.049 0.000 1.065 409 I HN 0.158 nan 8.210 nan 0.000 0.418 410 I N -0.017 120.547 120.570 -0.010 0.000 2.928 410 I HA -0.186 3.981 4.170 -0.006 0.000 0.266 410 I C 2.259 178.364 176.117 -0.019 0.000 1.234 410 I CA 0.430 61.728 61.300 -0.004 0.000 1.483 410 I CB 0.037 38.042 38.000 0.007 0.000 1.097 410 I HN 0.248 nan 8.210 nan 0.000 0.455 411 L N 0.389 121.596 121.223 -0.028 0.000 2.049 411 L HA -0.057 4.280 4.340 -0.006 0.000 0.203 411 L C 2.372 179.175 176.870 -0.113 0.000 1.074 411 L CA 1.725 56.529 54.840 -0.061 0.000 0.749 411 L CB -0.444 41.587 42.059 -0.046 0.000 0.907 411 L HN -0.073 nan 8.230 nan 0.000 0.439 412 V N -0.050 119.795 119.914 -0.116 0.000 2.255 412 V HA -0.291 3.825 4.120 -0.006 0.000 0.247 412 V C 2.555 178.596 176.094 -0.088 0.000 1.051 412 V CA 1.847 64.072 62.300 -0.124 0.000 1.018 412 V CB -0.961 30.789 31.823 -0.121 0.000 0.641 412 V HN 0.529 nan 8.190 nan 0.000 0.445 413 L N 0.271 121.460 121.223 -0.055 0.000 2.189 413 L HA -0.214 4.122 4.340 -0.006 0.000 0.214 413 L C 2.209 179.066 176.870 -0.022 0.000 1.097 413 L CA 1.958 56.788 54.840 -0.016 0.000 0.764 413 L CB -0.763 41.313 42.059 0.029 0.000 0.900 413 L HN 0.427 nan 8.230 nan 0.000 0.436 414 E N -1.715 118.458 120.200 -0.044 0.000 2.318 414 E HA -0.064 4.283 4.350 -0.006 0.000 0.193 414 E C 2.058 178.620 176.600 -0.064 0.000 0.998 414 E CA 0.745 57.118 56.400 -0.046 0.000 0.859 414 E CB 0.042 29.715 29.700 -0.045 0.000 0.812 414 E HN 0.562 nan 8.360 nan 0.000 0.492 415 M N -0.264 119.278 119.600 -0.097 0.000 2.466 415 M HA -0.027 4.449 4.480 -0.006 0.000 0.265 415 M C 2.305 178.545 176.300 -0.100 0.000 1.122 415 M CA 1.166 56.391 55.300 -0.126 0.000 1.157 415 M CB 0.247 32.722 32.600 -0.209 0.000 1.352 415 M HN 0.068 nan 8.290 nan 0.000 0.464 416 T N -3.821 110.684 114.554 -0.083 0.000 3.044 416 T HA 0.003 4.350 4.350 -0.006 0.000 0.250 416 T C 0.790 175.468 174.700 -0.036 0.000 1.081 416 T CA 0.180 62.244 62.100 -0.061 0.000 1.040 416 T CB -0.050 68.780 68.868 -0.063 0.000 0.962 416 T HN 0.330 nan 8.240 nan 0.000 0.506 417 D N 1.591 121.977 120.400 -0.024 0.000 2.792 417 D HA -0.161 4.476 4.640 -0.006 0.000 0.231 417 D C -0.857 175.452 176.300 0.014 0.000 1.160 417 D CA 0.488 54.488 54.000 0.000 0.000 0.697 417 D CB -1.777 39.020 40.800 -0.005 0.000 1.070 417 D HN 0.515 nan 8.370 nan 0.000 0.426 418 N N 0.416 119.118 118.700 0.003 0.000 3.114 418 N HA 0.100 4.837 4.740 -0.006 0.000 0.289 418 N C 0.471 175.975 175.510 -0.010 0.000 1.519 418 N CA -0.465 52.579 53.050 -0.011 0.000 1.026 418 N CB -0.001 38.458 38.487 -0.047 0.000 1.306 418 N HN 0.165 nan 8.380 nan 0.000 0.495 419 Y N 1.657 121.918 120.300 -0.065 0.000 2.465 419 Y HA -0.195 4.352 4.550 -0.006 0.000 0.289 419 Y C 2.089 177.941 175.900 -0.081 0.000 1.150 419 Y CA 1.491 59.549 58.100 -0.069 0.000 1.293 419 Y CB 0.239 38.666 38.460 -0.055 0.000 0.977 419 Y HN 0.456 nan 8.280 nan 0.000 0.556 420 Q N -0.212 119.438 119.800 -0.249 0.000 2.482 420 Q HA -0.050 4.286 4.340 -0.006 0.000 0.209 420 Q C 1.009 176.807 176.000 -0.337 0.000 0.961 420 Q CA 1.101 56.715 55.803 -0.314 0.000 0.945 420 Q CB -0.460 28.181 28.738 -0.162 0.000 1.012 420 Q HN 0.633 nan 8.270 nan 0.000 0.515 421 L N -0.144 120.885 121.223 -0.323 0.000 2.616 421 L HA 0.120 4.456 4.340 -0.006 0.000 0.229 421 L C 1.875 178.529 176.870 -0.359 0.000 1.110 421 L CA -0.267 54.378 54.840 -0.325 0.000 0.884 421 L CB -0.058 41.856 42.059 -0.242 0.000 1.115 421 L HN 0.068 nan 8.230 nan 0.000 0.481 422 I N 0.613 120.943 120.570 -0.401 0.000 2.143 422 I HA -0.355 3.812 4.170 -0.006 0.000 0.245 422 I C 2.242 178.187 176.117 -0.287 0.000 1.068 422 I CA 1.749 62.849 61.300 -0.334 0.000 1.326 422 I CB -0.047 37.675 38.000 -0.463 0.000 1.028 422 I HN 0.170 nan 8.210 nan 0.000 0.412 423 L N 0.745 121.772 121.223 -0.326 0.000 1.994 423 L HA -0.100 4.237 4.340 -0.006 0.000 0.208 423 L C -0.453 176.228 176.870 -0.316 0.000 1.071 423 L CA 2.259 56.939 54.840 -0.266 0.000 0.745 423 L CB -1.733 40.176 42.059 -0.250 0.000 0.892 423 L HN 0.149 nan 8.230 nan 0.000 0.431 424 P HA -0.130 nan 4.420 nan 0.000 0.217 424 P C 1.972 179.029 177.300 -0.406 0.000 1.150 424 P CA 1.512 64.166 63.100 -0.744 0.000 0.832 424 P CB -0.068 30.715 31.700 -1.528 0.000 0.787 425 M N -1.772 117.640 119.600 -0.313 0.000 2.149 425 M HA -0.151 4.325 4.480 -0.006 0.000 0.261 425 M C 2.051 178.261 176.300 -0.149 0.000 1.064 425 M CA 1.845 57.029 55.300 -0.192 0.000 1.102 425 M CB -0.905 31.593 32.600 -0.170 0.000 1.369 425 M HN -0.029 nan 8.290 nan 0.000 0.408 426 I N 0.365 120.849 120.570 -0.145 0.000 2.193 426 I HA -0.261 3.906 4.170 -0.006 0.000 0.240 426 I C 2.334 178.400 176.117 -0.084 0.000 1.084 426 I CA 1.194 62.433 61.300 -0.102 0.000 1.365 426 I CB -0.330 37.618 38.000 -0.087 0.000 1.064 426 I HN 0.211 nan 8.210 nan 0.000 0.410 427 I N 0.536 121.054 120.570 -0.087 0.000 2.248 427 I HA -0.323 3.844 4.170 -0.006 0.000 0.248 427 I C 2.483 178.590 176.117 -0.017 0.000 1.107 427 I CA 1.572 62.848 61.300 -0.040 0.000 1.373 427 I CB -0.716 37.269 38.000 -0.024 0.000 1.055 427 I HN 0.316 nan 8.210 nan 0.000 0.418 428 T N 0.405 114.943 114.554 -0.025 0.000 2.668 428 T HA -0.073 4.274 4.350 -0.006 0.000 0.258 428 T C 1.972 176.623 174.700 -0.082 0.000 1.051 428 T CA 1.480 63.561 62.100 -0.031 0.000 1.155 428 T CB -0.815 68.032 68.868 -0.034 0.000 0.864 428 T HN 0.541 nan 8.240 nan 0.000 0.413 429 G N 1.378 110.107 108.800 -0.117 0.000 2.469 429 G HA2 -0.203 3.754 3.960 -0.006 0.000 0.219 429 G HA3 -0.203 3.754 3.960 -0.006 0.000 0.219 429 G C 1.555 176.405 174.900 -0.083 0.000 1.150 429 G CA 1.058 46.083 45.100 -0.125 0.000 0.763 429 G HN 0.376 nan 8.290 nan 0.000 0.561 430 L N 1.147 122.331 121.223 -0.065 0.000 1.961 430 L HA 0.153 4.490 4.340 -0.006 0.000 0.210 430 L C 3.007 179.847 176.870 -0.049 0.000 1.072 430 L CA 2.471 57.279 54.840 -0.053 0.000 0.749 430 L CB -1.079 40.956 42.059 -0.040 0.000 0.889 430 L HN 0.191 nan 8.230 nan 0.000 0.432 431 G N -1.032 107.751 108.800 -0.028 0.000 2.550 431 G HA2 -0.379 3.577 3.960 -0.006 0.000 0.222 431 G HA3 -0.379 3.577 3.960 -0.006 0.000 0.222 431 G C 1.544 176.433 174.900 -0.019 0.000 1.113 431 G CA 1.204 46.297 45.100 -0.011 0.000 0.748 431 G HN 0.699 nan 8.290 nan 0.000 0.585 432 A N 0.194 123.003 122.820 -0.020 0.000 1.845 432 A HA -0.033 4.283 4.320 -0.006 0.000 0.215 432 A C 2.529 180.091 177.584 -0.036 0.000 1.195 432 A CA 2.536 54.575 52.037 0.003 0.000 0.616 432 A CB -1.151 17.847 19.000 -0.003 0.000 0.832 432 A HN 0.290 nan 8.150 nan 0.000 0.443 433 T N 0.488 115.003 114.554 -0.065 0.000 2.803 433 T HA -0.100 4.247 4.350 -0.006 0.000 0.269 433 T C 1.753 176.351 174.700 -0.171 0.000 1.052 433 T CA 1.361 63.404 62.100 -0.094 0.000 1.136 433 T CB -0.348 68.469 68.868 -0.086 0.000 0.864 433 T HN 0.327 nan 8.240 nan 0.000 0.467 434 L N 0.174 121.280 121.223 -0.196 0.000 2.044 434 L HA 0.006 4.342 4.340 -0.006 0.000 0.205 434 L C 2.363 178.969 176.870 -0.439 0.000 1.075 434 L CA 0.814 55.424 54.840 -0.383 0.000 0.747 434 L CB -0.349 41.563 42.059 -0.245 0.000 0.903 434 L HN 0.243 nan 8.230 nan 0.000 0.435 435 L N -0.443 120.685 121.223 -0.158 0.000 2.291 435 L HA -0.084 4.253 4.340 -0.006 0.000 0.214 435 L C 2.598 179.451 176.870 -0.028 0.000 1.120 435 L CA 1.470 56.291 54.840 -0.031 0.000 0.799 435 L CB -1.172 40.912 42.059 0.042 0.000 0.925 435 L HN 0.196 nan 8.230 nan 0.000 0.446 436 A N -1.185 121.593 122.820 -0.071 0.000 1.935 436 A HA -0.179 4.137 4.320 -0.006 0.000 0.214 436 A C 2.226 179.777 177.584 -0.055 0.000 1.178 436 A CA 0.883 52.895 52.037 -0.041 0.000 0.640 436 A CB -0.246 18.732 19.000 -0.037 0.000 0.825 436 A HN 0.428 nan 8.150 nan 0.000 0.447 437 Q N -0.988 118.722 119.800 -0.150 0.000 1.990 437 Q HA -0.148 4.189 4.340 -0.006 0.000 0.200 437 Q C 1.300 177.314 176.000 0.024 0.000 0.980 437 Q CA 1.549 57.275 55.803 -0.128 0.000 0.832 437 Q CB -0.236 28.328 28.738 -0.291 0.000 0.897 437 Q HN 0.568 nan 8.270 nan 0.000 0.427 438 F N 0.684 120.648 119.950 0.023 0.000 2.664 438 F HA -0.052 4.471 4.527 -0.006 0.000 0.297 438 F C 1.705 177.517 175.800 0.020 0.000 1.164 438 F CA 1.295 59.309 58.000 0.022 0.000 1.472 438 F CB -0.593 38.422 39.000 0.025 0.000 1.108 438 F HN 0.164 nan 8.300 nan 0.000 0.596 439 T N -4.053 110.600 114.554 0.165 0.000 3.296 439 T HA 0.497 4.844 4.350 -0.006 0.000 0.285 439 T C 1.374 176.110 174.700 0.061 0.000 1.014 439 T CA 0.101 62.262 62.100 0.100 0.000 0.920 439 T CB 0.051 68.962 68.868 0.071 0.000 1.143 439 T HN 0.371 nan 8.240 nan 0.000 0.522 440 G N 0.673 109.517 108.800 0.072 0.000 2.166 440 G HA2 -0.133 3.824 3.960 -0.006 0.000 0.260 440 G HA3 -0.133 3.824 3.960 -0.006 0.000 0.260 440 G C 0.628 175.544 174.900 0.027 0.000 0.986 440 G CA -0.136 44.993 45.100 0.049 0.000 0.683 440 G HN 1.119 nan 8.290 nan 0.000 0.527 441 G N -0.702 108.107 108.800 0.015 0.000 2.664 441 G HA2 0.475 4.431 3.960 -0.006 0.000 0.242 441 G HA3 0.475 4.431 3.960 -0.006 0.000 0.242 441 G C 0.014 174.922 174.900 0.013 0.000 1.225 441 G CA 0.378 45.477 45.100 -0.002 0.000 0.849 441 G HN 0.573 nan 8.290 nan 0.000 0.581 442 K N 0.685 121.095 120.400 0.017 0.000 2.527 442 K HA 0.283 4.600 4.320 -0.006 0.000 0.260 442 K C -2.858 173.771 176.600 0.048 0.000 0.937 442 K CA -1.714 54.597 56.287 0.039 0.000 0.826 442 K CB 2.874 35.403 32.500 0.050 0.000 1.359 442 K HN 0.123 nan 8.250 nan 0.000 0.434 443 P HA -0.055 nan 4.420 nan 0.000 0.258 443 P C 0.481 177.852 177.300 0.118 0.000 1.214 443 P CA 0.016 63.161 63.100 0.074 0.000 0.872 443 P CB 0.251 32.006 31.700 0.091 0.000 0.890 444 L N 4.677 125.961 121.223 0.102 0.000 2.197 444 L HA -0.244 4.093 4.340 -0.006 0.000 0.215 444 L C 1.436 178.528 176.870 0.371 0.000 1.095 444 L CA 2.112 57.061 54.840 0.182 0.000 0.764 444 L CB -0.791 41.361 42.059 0.154 0.000 0.897 444 L HN 0.350 nan 8.230 nan 0.000 0.436 445 Y N -1.505 118.887 120.300 0.155 0.000 2.365 445 Y HA 0.035 4.582 4.550 -0.006 0.000 0.293 445 Y C 2.760 178.733 175.900 0.121 0.000 1.119 445 Y CA 0.726 58.922 58.100 0.161 0.000 1.203 445 Y CB -0.816 37.755 38.460 0.185 0.000 1.026 445 Y HN 0.197 nan 8.280 nan 0.000 0.549 446 S N -0.106 115.757 115.700 0.272 0.000 2.377 446 S HA -0.074 4.392 4.470 -0.006 0.000 0.223 446 S C 2.349 177.040 174.600 0.151 0.000 1.030 446 S CA 0.843 59.156 58.200 0.189 0.000 0.970 446 S CB -0.394 62.911 63.200 0.175 0.000 0.830 446 S HN 0.433 nan 8.310 nan 0.000 0.473 447 A N 1.800 124.708 122.820 0.146 0.000 1.883 447 A HA -0.081 4.235 4.320 -0.006 0.000 0.217 447 A C 2.021 179.666 177.584 0.101 0.000 1.186 447 A CA 1.329 53.432 52.037 0.109 0.000 0.624 447 A CB -0.849 18.212 19.000 0.101 0.000 0.822 447 A HN 0.484 nan 8.150 nan 0.000 0.444 448 I N -1.028 119.622 120.570 0.134 0.000 2.335 448 I HA -0.243 3.924 4.170 -0.006 0.000 0.251 448 I C 2.396 178.554 176.117 0.067 0.000 1.129 448 I CA 1.166 62.528 61.300 0.104 0.000 1.402 448 I CB -0.188 37.900 38.000 0.146 0.000 1.069 448 I HN 0.377 nan 8.210 nan 0.000 0.424 449 L N 0.751 122.022 121.223 0.079 0.000 2.127 449 L HA 0.058 4.394 4.340 -0.006 0.000 0.203 449 L C 2.531 179.429 176.870 0.047 0.000 1.080 449 L CA 1.702 56.575 54.840 0.055 0.000 0.768 449 L CB -0.591 41.508 42.059 0.067 0.000 0.924 449 L HN 0.119 nan 8.230 nan 0.000 0.444 450 A N -0.643 122.211 122.820 0.057 0.000 2.070 450 A HA -0.185 4.131 4.320 -0.006 0.000 0.220 450 A C 2.366 179.966 177.584 0.027 0.000 1.159 450 A CA 1.650 53.711 52.037 0.039 0.000 0.656 450 A CB -0.493 18.533 19.000 0.044 0.000 0.800 450 A HN 0.501 nan 8.150 nan 0.000 0.453 451 R N -1.860 118.657 120.500 0.030 0.000 2.175 451 R HA 0.032 4.368 4.340 -0.006 0.000 0.202 451 R C 1.819 178.124 176.300 0.008 0.000 1.018 451 R CA 1.232 57.343 56.100 0.018 0.000 1.029 451 R CB -0.193 30.119 30.300 0.019 0.000 0.959 451 R HN 0.432 nan 8.270 nan 0.000 0.480 452 T N 1.311 115.870 114.554 0.009 0.000 3.023 452 T HA -0.017 4.329 4.350 -0.006 0.000 0.266 452 T C 1.447 176.148 174.700 0.002 0.000 1.093 452 T CA 0.599 62.699 62.100 -0.000 0.000 1.129 452 T CB 0.056 68.921 68.868 -0.004 0.000 0.899 452 T HN -0.049 nan 8.240 nan 0.000 0.491 453 L N 1.391 122.619 121.223 0.009 0.000 2.022 453 L HA 0.293 4.629 4.340 -0.006 0.000 0.204 453 L C 2.728 179.601 176.870 0.005 0.000 1.076 453 L CA 1.538 56.383 54.840 0.008 0.000 0.749 453 L CB -1.599 40.467 42.059 0.012 0.000 0.903 453 L HN 0.196 nan 8.230 nan 0.000 0.439 454 A N -0.172 122.651 122.820 0.006 0.000 1.870 454 A HA -0.353 3.963 4.320 -0.006 0.000 0.219 454 A C 2.229 179.816 177.584 0.004 0.000 1.286 454 A CA 2.609 54.648 52.037 0.004 0.000 0.682 454 A CB -0.909 18.094 19.000 0.006 0.000 0.844 454 A HN 0.437 nan 8.150 nan 0.000 0.460 455 K N -0.917 119.486 120.400 0.004 0.000 2.207 455 K HA -0.317 4.000 4.320 -0.006 0.000 0.208 455 K C 2.332 178.935 176.600 0.005 0.000 1.046 455 K CA 2.078 58.367 56.287 0.004 0.000 0.929 455 K CB -0.206 32.293 32.500 -0.001 0.000 0.720 455 K HN 0.786 nan 8.250 nan 0.000 0.463 456 Q N 0.656 120.458 119.800 0.004 0.000 2.096 456 Q HA -0.100 4.237 4.340 -0.006 0.000 0.197 456 Q C 0.685 176.688 176.000 0.005 0.000 0.964 456 Q CA 0.939 56.745 55.803 0.004 0.000 0.838 456 Q CB 0.405 29.145 28.738 0.003 0.000 0.906 456 Q HN 0.144 nan 8.270 nan 0.000 0.444 457 E N -0.412 119.791 120.200 0.005 0.000 2.303 457 E HA 0.111 4.457 4.350 -0.006 0.000 0.211 457 E C -0.007 176.595 176.600 0.005 0.000 1.223 457 E CA 0.267 56.669 56.400 0.004 0.000 1.344 457 E CB 0.998 30.700 29.700 0.002 0.000 1.299 457 E HN 0.408 nan 8.360 nan 0.000 0.441 458 A N 0.937 123.761 122.820 0.006 0.000 1.921 458 A HA 0.007 4.324 4.320 -0.006 0.000 0.202 458 A C 0.996 178.585 177.584 0.010 0.000 1.721 458 A CA -0.187 51.855 52.037 0.008 0.000 1.025 458 A CB -0.057 18.948 19.000 0.009 0.000 1.060 458 A HN 0.191 nan 8.150 nan 0.000 0.535 459 E N 1.340 121.546 120.200 0.011 0.000 2.222 459 E HA 0.321 4.668 4.350 -0.006 0.000 0.312 459 E C -0.289 176.317 176.600 0.010 0.000 1.263 459 E CA 0.034 56.442 56.400 0.013 0.000 1.356 459 E CB -0.307 29.402 29.700 0.015 0.000 1.180 459 E HN 0.554 nan 8.360 nan 0.000 0.494 460 Q N 0.000 119.805 119.800 0.009 0.000 2.315 460 Q HA 0.000 4.337 4.340 -0.006 0.000 0.214 460 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 460 Q CB 0.000 28.742 28.738 0.006 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481