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 3csn_1_A DATA FIRST_RESID 113 DATA SEQUENCE NDWVYDEPRS VSVISREQMD NRPARHAADI LEQTTGAYSS VSQQDPALSV DATA SEQUENCE NIRGIQDYGR VNMNIDGMRQ NFQKSGHGQR NGTMYIDSEL LSGVTIDKGT DATA SEQUENCE TGGMGSAGTL GGIATFNTVS ASDFLAPGKE LGGKLHASTG DNGTHFIGSG DATA SEQUENCE ILALGNETGD ILLAASERHL GDYWPGNKGD IGNIRINNDT GNYDRYAESI DATA SEQUENCE KNNKIPDTHY RMHSRLAKVG WNLPANQRLQ LSYLQTQTAS PIAGTLTNLG DATA SEQUENCE TRPPYELGWK RTGYTDVMAR NAAFDYSLAP EDVDWLDFQA KLYYVDTQDD DATA SEQUENCE SDTYSTSSLL DNGYATRTRL RTYGAQAQNT SRFSLAPGHD FRANYGLEFY DATA SEQUENCE YDKATSDSSR QGMEGVTPAG NRSVASLFAN LTYDYDGWLT LEGGLRYDRY DATA SEQUENCE RLRGQTGLSY PDLAKDGQRY TIDNPcKALR LTGcSTTTRE DWDVDRDQGK DATA SEQUENCE LSPTLAVAVR PGVEWLELYT TYGKSWRPPA ITETLTNGSA HSSSTQYPNP DATA SEQUENCE FLQPERSRAW EVGFNVQQPD LWFEGDRLVA KVAYFDTKVD NYINLAIDRN DATA SEQUENCE KPGLVQPSIG NAAYVNNLSK TRFRGLEYQL NYDAGVFYAD LTYTHMIGKN DATA SEQUENCE EFcSNKAWLG GRLRYGDGSR RGNFYVEPDA ASNDFVTcDG GTQFGSAAYL DATA SEQUENCE PGDRGSVTLG GRAFDRKLDA GVTVRFAPGY QDSSVPSNYP YLADWPKYTL DATA SEQUENCE FDLYASYKLT DSLTLRGSVE NLTNRAYVVS YGETLANTLG RGRTVQGGVE DATA SEQUENCE YRF 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 113 N HA 0.000 nan 4.740 nan 0.000 0.220 113 N C 0.000 175.541 175.510 0.052 0.000 1.280 113 N CA 0.000 53.093 53.050 0.072 0.000 0.885 113 N CB 0.000 38.506 38.487 0.031 0.000 1.341 114 D N 1.096 121.524 120.400 0.047 0.000 2.952 114 D HA 0.195 4.835 4.640 0.000 0.000 0.373 114 D C 1.111 177.383 176.300 -0.047 0.000 1.360 114 D CA -0.589 53.386 54.000 -0.043 0.000 0.788 114 D CB -1.273 39.574 40.800 0.079 0.000 1.192 114 D HN 0.652 nan 8.370 nan 0.000 0.462 115 W N -0.226 121.069 121.300 -0.008 0.000 2.421 115 W HA -0.113 4.547 4.660 0.000 0.000 0.270 115 W C 0.769 177.251 176.519 -0.062 0.000 1.233 115 W CA -0.098 57.227 57.345 -0.033 0.000 1.226 115 W CB -1.174 28.245 29.460 -0.068 0.000 1.121 115 W HN -0.023 nan 8.180 nan 0.000 0.579 116 V N 1.915 121.261 119.914 -0.946 0.000 2.278 116 V HA -0.367 3.753 4.120 0.000 0.000 0.251 116 V C 2.078 177.839 176.094 -0.555 0.000 1.062 116 V CA 2.354 64.025 62.300 -1.049 0.000 1.038 116 V CB -1.174 29.893 31.823 -1.260 0.000 0.646 116 V HN 0.127 nan 8.190 nan 0.000 0.447 117 Y N -0.775 119.360 120.300 -0.275 0.000 2.632 117 Y HA -0.037 4.513 4.550 0.000 0.000 0.301 117 Y C 1.792 177.631 175.900 -0.101 0.000 1.172 117 Y CA 1.096 59.098 58.100 -0.164 0.000 1.328 117 Y CB -0.181 38.200 38.460 -0.132 0.000 1.016 117 Y HN 0.305 nan 8.280 nan 0.000 0.529 118 D N -0.392 120.023 120.400 0.025 0.000 2.469 118 D HA 0.043 4.683 4.640 0.000 0.000 0.215 118 D C -0.444 175.854 176.300 -0.003 0.000 1.154 118 D CA 0.133 54.156 54.000 0.039 0.000 0.832 118 D CB 0.275 41.123 40.800 0.079 0.000 1.008 118 D HN 0.089 nan 8.370 nan 0.000 0.506 119 E N 0.299 120.458 120.200 -0.067 0.000 2.166 119 E HA 0.378 4.728 4.350 0.000 0.000 0.275 119 E C -2.394 174.028 176.600 -0.297 0.000 0.941 119 E CA -2.555 53.784 56.400 -0.101 0.000 0.784 119 E CB 1.826 31.516 29.700 -0.016 0.000 1.115 119 E HN -0.130 nan 8.360 nan 0.000 0.399 120 P HA 0.124 nan 4.420 nan 0.000 0.225 120 P C -1.125 175.742 177.300 -0.721 0.000 1.768 120 P CA 0.076 62.809 63.100 -0.611 0.000 0.943 120 P CB -0.294 31.282 31.700 -0.207 0.000 1.936 121 R N -1.984 118.045 120.500 -0.785 0.000 3.231 121 R HA 0.162 4.502 4.340 0.000 0.000 0.279 121 R C -1.638 174.556 176.300 -0.178 0.000 0.990 121 R CA -0.552 55.379 56.100 -0.282 0.000 0.879 121 R CB -0.322 29.910 30.300 -0.114 0.000 1.289 121 R HN -0.190 nan 8.270 nan 0.000 0.529 122 S N 1.270 116.947 115.700 -0.037 0.000 3.065 122 S HA 0.232 4.702 4.470 0.000 0.000 0.311 122 S C -0.080 174.417 174.600 -0.171 0.000 1.204 122 S CA -0.284 57.861 58.200 -0.091 0.000 1.040 122 S CB -0.242 62.923 63.200 -0.058 0.000 1.436 122 S HN 0.344 nan 8.310 nan 0.000 0.532 123 V N 2.897 122.667 119.914 -0.240 0.000 2.864 123 V HA 0.905 5.025 4.120 0.000 0.000 0.314 123 V C -0.362 175.498 176.094 -0.391 0.000 1.073 123 V CA -0.287 61.855 62.300 -0.264 0.000 0.956 123 V CB 2.463 34.169 31.823 -0.194 0.000 1.023 123 V HN 0.592 nan 8.190 nan 0.000 0.435 124 S N 3.081 118.564 115.700 -0.361 0.000 2.607 124 S HA 0.824 5.295 4.470 0.000 0.000 0.273 124 S C -1.698 172.697 174.600 -0.342 0.000 1.148 124 S CA 0.020 57.983 58.200 -0.394 0.000 0.833 124 S CB 1.823 64.839 63.200 -0.308 0.000 1.130 124 S HN 1.816 nan 8.310 nan 0.000 0.470 125 V N 4.060 123.775 119.914 -0.330 0.000 2.851 125 V HA 0.670 4.790 4.120 0.000 0.000 0.307 125 V C -1.267 174.704 176.094 -0.206 0.000 1.129 125 V CA -0.785 61.367 62.300 -0.247 0.000 0.932 125 V CB 1.677 33.372 31.823 -0.212 0.000 1.024 125 V HN 0.949 nan 8.190 nan 0.000 0.426 126 I N 6.661 127.119 120.570 -0.185 0.000 2.307 126 I HA 0.601 4.771 4.170 0.000 0.000 0.289 126 I C 0.581 176.618 176.117 -0.133 0.000 1.021 126 I CA 0.057 61.263 61.300 -0.157 0.000 1.224 126 I CB 1.467 39.372 38.000 -0.158 0.000 1.376 126 I HN 0.918 nan 8.210 nan 0.000 0.470 127 S N 5.767 121.395 115.700 -0.121 0.000 2.584 127 S HA 0.174 4.644 4.470 0.000 0.000 0.270 127 S C 1.100 175.637 174.600 -0.105 0.000 1.346 127 S CA -0.550 57.585 58.200 -0.108 0.000 1.018 127 S CB 1.496 64.630 63.200 -0.109 0.000 0.899 127 S HN 0.849 nan 8.310 nan 0.000 0.542 128 R N 1.112 121.553 120.500 -0.099 0.000 2.096 128 R HA -0.052 4.288 4.340 0.000 0.000 0.235 128 R C 1.720 177.958 176.300 -0.103 0.000 1.127 128 R CA 1.835 57.877 56.100 -0.096 0.000 0.968 128 R CB -1.148 29.097 30.300 -0.093 0.000 0.861 128 R HN 0.846 nan 8.270 nan 0.000 0.440 129 E N 0.030 120.165 120.200 -0.109 0.000 2.204 129 E HA -0.187 4.163 4.350 0.000 0.000 0.195 129 E C 1.755 178.271 176.600 -0.141 0.000 0.990 129 E CA 1.322 57.654 56.400 -0.114 0.000 0.821 129 E CB -0.161 29.467 29.700 -0.120 0.000 0.750 129 E HN 0.521 nan 8.360 nan 0.000 0.477 130 Q N -0.149 119.567 119.800 -0.141 0.000 2.187 130 Q HA -0.066 4.274 4.340 0.000 0.000 0.199 130 Q C 1.786 177.699 176.000 -0.144 0.000 0.957 130 Q CA 0.952 56.660 55.803 -0.159 0.000 0.857 130 Q CB 0.058 28.716 28.738 -0.132 0.000 0.929 130 Q HN 0.321 nan 8.270 nan 0.000 0.453 131 M N 0.283 119.813 119.600 -0.117 0.000 2.492 131 M HA -0.069 4.411 4.480 0.000 0.000 0.262 131 M C 0.607 176.846 176.300 -0.103 0.000 1.090 131 M CA 0.732 55.973 55.300 -0.099 0.000 1.110 131 M CB 0.199 32.748 32.600 -0.086 0.000 1.407 131 M HN 0.074 nan 8.290 nan 0.000 0.470 132 D N 0.224 120.557 120.400 -0.112 0.000 2.216 132 D HA -0.032 4.608 4.640 0.000 0.000 0.208 132 D C 1.595 177.852 176.300 -0.072 0.000 0.960 132 D CA 0.836 54.779 54.000 -0.096 0.000 0.861 132 D CB -0.284 40.465 40.800 -0.086 0.000 0.985 132 D HN 0.234 nan 8.370 nan 0.000 0.493 133 N N 0.475 119.091 118.700 -0.140 0.000 2.300 133 N HA -0.055 4.685 4.740 0.000 0.000 0.179 133 N C 0.576 175.994 175.510 -0.153 0.000 1.016 133 N CA 0.490 53.410 53.050 -0.218 0.000 0.876 133 N CB 0.249 38.352 38.487 -0.640 0.000 0.979 133 N HN 0.087 nan 8.380 nan 0.000 0.432 134 R N 0.917 121.335 120.500 -0.138 0.000 2.494 134 R HA 0.306 4.646 4.340 0.000 0.000 0.284 134 R C -2.738 173.539 176.300 -0.039 0.000 1.525 134 R CA -1.580 54.485 56.100 -0.058 0.000 1.460 134 R CB 0.916 31.175 30.300 -0.069 0.000 1.134 134 R HN -0.079 nan 8.270 nan 0.000 0.592 135 P HA 0.088 nan 4.420 nan 0.000 0.269 135 P C -1.214 176.079 177.300 -0.012 0.000 1.215 135 P CA -0.093 62.998 63.100 -0.016 0.000 0.780 135 P CB 1.156 32.862 31.700 0.009 0.000 0.898 136 A N 2.061 124.872 122.820 -0.015 0.000 2.365 136 A HA 0.516 4.836 4.320 0.000 0.000 0.318 136 A C 0.888 178.478 177.584 0.009 0.000 1.091 136 A CA -0.666 51.371 52.037 -0.000 0.000 0.763 136 A CB 1.195 20.198 19.000 0.005 0.000 1.248 136 A HN 0.669 nan 8.150 nan 0.000 0.442 137 R N 0.917 121.434 120.500 0.029 0.000 2.254 137 R HA 0.168 4.508 4.340 0.000 0.000 0.193 137 R C 0.099 176.507 176.300 0.180 0.000 0.929 137 R CA 0.417 56.550 56.100 0.056 0.000 1.038 137 R CB 0.184 30.492 30.300 0.013 0.000 1.009 137 R HN 0.672 nan 8.270 nan 0.000 0.512 138 H N -0.263 118.835 119.070 0.046 0.000 2.600 138 H HA 0.385 4.941 4.556 0.000 0.000 0.357 138 H C 0.258 175.581 175.328 -0.009 0.000 1.106 138 H CA 0.047 56.115 56.048 0.034 0.000 1.193 138 H CB 2.445 32.192 29.762 -0.024 0.000 1.594 138 H HN 0.095 nan 8.280 nan 0.000 0.526 139 A N 4.256 126.975 122.820 -0.169 0.000 1.940 139 A HA -0.280 4.040 4.320 0.000 0.000 0.221 139 A C 2.269 179.925 177.584 0.121 0.000 1.190 139 A CA 2.432 54.443 52.037 -0.044 0.000 0.647 139 A CB -0.976 17.912 19.000 -0.187 0.000 0.821 139 A HN 0.771 nan 8.150 nan 0.000 0.457 140 A N -0.458 122.562 122.820 0.333 0.000 2.070 140 A HA -0.122 4.198 4.320 0.000 0.000 0.220 140 A C 1.530 179.160 177.584 0.075 0.000 1.159 140 A CA 1.711 53.848 52.037 0.166 0.000 0.656 140 A CB -0.553 18.499 19.000 0.087 0.000 0.800 140 A HN 0.505 nan 8.150 nan 0.000 0.453 141 D N 0.303 120.758 120.400 0.092 0.000 2.263 141 D HA -0.147 4.493 4.640 0.000 0.000 0.208 141 D C 1.737 178.039 176.300 0.003 0.000 0.971 141 D CA 1.419 55.439 54.000 0.033 0.000 0.867 141 D CB -0.422 40.401 40.800 0.039 0.000 0.929 141 D HN 0.804 nan 8.370 nan 0.000 0.492 142 I N -2.283 118.292 120.570 0.009 0.000 3.111 142 I HA -0.013 4.157 4.170 0.000 0.000 0.272 142 I C 1.237 177.322 176.117 -0.054 0.000 1.268 142 I CA 0.409 61.695 61.300 -0.023 0.000 1.467 142 I CB 0.008 38.003 38.000 -0.007 0.000 1.087 142 I HN -0.183 nan 8.210 nan 0.000 0.467 143 L N 1.161 122.355 121.223 -0.048 0.000 2.688 143 L HA 0.251 4.591 4.340 0.000 0.000 0.234 143 L C 1.354 178.137 176.870 -0.145 0.000 1.192 143 L CA 0.887 55.674 54.840 -0.089 0.000 0.984 143 L CB -0.820 41.209 42.059 -0.049 0.000 1.232 143 L HN 0.235 nan 8.230 nan 0.000 0.465 144 E N -1.475 118.647 120.200 -0.130 0.000 2.562 144 E HA 0.124 4.474 4.350 0.000 0.000 0.214 144 E C 0.523 177.025 176.600 -0.163 0.000 0.979 144 E CA 0.099 56.410 56.400 -0.148 0.000 1.002 144 E CB 0.554 30.207 29.700 -0.079 0.000 1.048 144 E HN 0.533 nan 8.360 nan 0.000 0.488 145 Q N 0.627 120.337 119.800 -0.150 0.000 2.135 145 Q HA 0.082 4.422 4.340 0.000 0.000 0.231 145 Q C -0.380 175.531 176.000 -0.148 0.000 0.817 145 Q CA -0.014 55.709 55.803 -0.132 0.000 1.073 145 Q CB 1.459 30.143 28.738 -0.090 0.000 1.176 145 Q HN 0.013 nan 8.270 nan 0.000 0.478 146 T N -1.586 112.850 114.554 -0.196 0.000 2.812 146 T HA 0.363 4.713 4.350 0.000 0.000 0.282 146 T C 0.319 174.866 174.700 -0.254 0.000 0.990 146 T CA -0.734 61.242 62.100 -0.206 0.000 0.960 146 T CB 1.579 70.319 68.868 -0.213 0.000 0.948 146 T HN 0.128 nan 8.240 nan 0.000 0.438 147 T N 0.255 114.685 114.554 -0.207 0.000 2.940 147 T HA 0.462 4.812 4.350 0.000 0.000 0.309 147 T C 1.615 176.180 174.700 -0.225 0.000 1.056 147 T CA 0.252 62.230 62.100 -0.203 0.000 1.137 147 T CB 0.225 69.031 68.868 -0.103 0.000 0.976 147 T HN 2.066 nan 8.240 nan 0.000 0.547 148 G N 1.394 110.067 108.800 -0.211 0.000 2.179 148 G HA2 0.009 3.969 3.960 0.000 0.000 0.260 148 G HA3 0.009 3.969 3.960 0.000 0.000 0.260 148 G C 0.201 175.004 174.900 -0.162 0.000 0.977 148 G CA -0.033 44.977 45.100 -0.151 0.000 0.641 148 G HN 1.622 nan 8.290 nan 0.000 0.533 149 A N -0.416 122.195 122.820 -0.348 0.000 2.288 149 A HA 0.901 5.221 4.320 0.000 0.000 0.320 149 A C -0.592 176.708 177.584 -0.473 0.000 1.217 149 A CA -0.442 51.421 52.037 -0.290 0.000 0.840 149 A CB 1.091 19.942 19.000 -0.248 0.000 1.179 149 A HN 0.735 nan 8.150 nan 0.000 0.504 150 Y N 0.105 120.311 120.300 -0.158 0.000 2.715 150 Y HA 0.748 5.299 4.550 0.000 0.000 0.331 150 Y C 0.317 176.209 175.900 -0.012 0.000 1.197 150 Y CA -0.476 57.558 58.100 -0.111 0.000 1.079 150 Y CB 2.169 40.495 38.460 -0.224 0.000 1.298 150 Y HN 0.717 nan 8.280 nan 0.000 0.477 151 S N -0.309 115.558 115.700 0.278 0.000 2.592 151 S HA 0.322 4.792 4.470 0.000 0.000 0.275 151 S C -1.289 173.395 174.600 0.141 0.000 1.169 151 S CA -0.647 57.665 58.200 0.186 0.000 0.958 151 S CB 0.894 64.130 63.200 0.060 0.000 1.095 151 S HN 0.520 nan 8.310 nan 0.000 0.471 152 S N 3.177 118.919 115.700 0.070 0.000 4.053 152 S HA 0.145 4.615 4.470 0.000 0.000 0.184 152 S C 0.209 174.763 174.600 -0.076 0.000 1.324 152 S CA -0.091 58.036 58.200 -0.121 0.000 0.956 152 S CB -0.587 62.529 63.200 -0.141 0.000 1.503 152 S HN 0.656 nan 8.310 nan 0.000 0.440 153 V N 2.464 122.327 119.914 -0.086 0.000 2.607 153 V HA 0.571 4.691 4.120 0.000 0.000 0.289 153 V C 0.082 176.078 176.094 -0.164 0.000 1.053 153 V CA -0.222 61.985 62.300 -0.154 0.000 0.996 153 V CB 1.880 33.549 31.823 -0.256 0.000 0.995 153 V HN 0.439 nan 8.190 nan 0.000 0.476 154 S N 4.885 120.476 115.700 -0.181 0.000 2.530 154 S HA 0.362 4.832 4.470 0.000 0.000 0.322 154 S C 0.486 174.956 174.600 -0.217 0.000 1.085 154 S CA -0.698 57.397 58.200 -0.175 0.000 1.096 154 S CB 1.668 64.790 63.200 -0.131 0.000 0.988 154 S HN 0.841 nan 8.310 nan 0.000 0.466 155 Q N 3.116 122.783 119.800 -0.222 0.000 2.508 155 Q HA -0.079 4.261 4.340 0.000 0.000 0.214 155 Q C 1.031 176.975 176.000 -0.094 0.000 0.979 155 Q CA 1.187 56.901 55.803 -0.149 0.000 0.911 155 Q CB -0.057 28.663 28.738 -0.030 0.000 0.969 155 Q HN 0.793 nan 8.270 nan 0.000 0.504 156 Q N -0.227 119.467 119.800 -0.177 0.000 2.360 156 Q HA 0.024 4.364 4.340 0.000 0.000 0.202 156 Q C -0.210 175.697 176.000 -0.155 0.000 0.915 156 Q CA 0.096 55.783 55.803 -0.193 0.000 0.943 156 Q CB 0.657 29.228 28.738 -0.278 0.000 1.064 156 Q HN 0.061 nan 8.270 nan 0.000 0.511 157 D N -0.333 119.997 120.400 -0.117 0.000 2.686 157 D HA 0.173 4.813 4.640 0.000 0.000 0.249 157 D C -2.292 173.962 176.300 -0.077 0.000 1.260 157 D CA -2.214 51.721 54.000 -0.109 0.000 0.910 157 D CB 1.874 42.633 40.800 -0.069 0.000 1.323 157 D HN -0.250 nan 8.370 nan 0.000 0.561 158 P HA 0.084 nan 4.420 nan 0.000 0.230 158 P C 0.002 177.012 177.300 -0.484 0.000 1.158 158 P CA 0.237 62.932 63.100 -0.675 0.000 0.769 158 P CB 0.054 31.145 31.700 -1.014 0.000 0.807 159 A N 0.335 122.974 122.820 -0.302 0.000 2.565 159 A HA 0.138 4.458 4.320 0.000 0.000 0.237 159 A C -0.006 177.376 177.584 -0.338 0.000 1.053 159 A CA 0.134 51.830 52.037 -0.568 0.000 0.755 159 A CB -0.659 18.127 19.000 -0.356 0.000 0.980 159 A HN 0.204 nan 8.150 nan 0.000 0.506 160 L N 2.967 123.928 121.223 -0.436 0.000 2.272 160 L HA 0.619 4.960 4.340 0.000 0.000 0.289 160 L C 0.164 176.921 176.870 -0.188 0.000 1.032 160 L CA 0.343 55.053 54.840 -0.218 0.000 0.810 160 L CB 1.621 43.517 42.059 -0.273 0.000 1.205 160 L HN 0.548 nan 8.230 nan 0.000 0.422 161 S N 4.296 119.943 115.700 -0.089 0.000 2.596 161 S HA 0.642 5.112 4.470 0.000 0.000 0.318 161 S C -0.902 173.690 174.600 -0.015 0.000 1.097 161 S CA -0.607 57.551 58.200 -0.070 0.000 1.080 161 S CB 0.942 64.104 63.200 -0.064 0.000 0.991 161 S HN 0.457 nan 8.310 nan 0.000 0.471 162 V N 6.418 126.326 119.914 -0.009 0.000 2.432 162 V HA 0.399 4.519 4.120 0.000 0.000 0.271 162 V C 0.447 176.537 176.094 -0.006 0.000 1.046 162 V CA -0.745 61.564 62.300 0.015 0.000 0.945 162 V CB 1.090 32.942 31.823 0.047 0.000 0.992 162 V HN 0.838 nan 8.190 nan 0.000 0.471 163 N N 5.313 124.020 118.700 0.011 0.000 2.372 163 N HA 0.502 5.242 4.740 0.000 0.000 0.291 163 N C -1.207 174.263 175.510 -0.067 0.000 1.024 163 N CA -0.475 52.567 53.050 -0.013 0.000 0.873 163 N CB 1.746 40.271 38.487 0.064 0.000 1.206 163 N HN 0.594 nan 8.380 nan 0.000 0.486 164 I N 3.937 124.420 120.570 -0.145 0.000 2.437 164 I HA 0.282 4.452 4.170 0.000 0.000 0.279 164 I C 0.563 176.509 176.117 -0.284 0.000 1.028 164 I CA -0.477 60.704 61.300 -0.198 0.000 1.142 164 I CB 0.919 38.787 38.000 -0.221 0.000 1.266 164 I HN 0.624 nan 8.210 nan 0.000 0.461 165 R N 3.723 124.082 120.500 -0.234 0.000 3.878 165 R HA -0.210 4.130 4.340 0.000 0.000 0.330 165 R C 0.975 177.149 176.300 -0.210 0.000 1.186 165 R CA 0.696 56.642 56.100 -0.257 0.000 0.885 165 R CB -1.774 28.230 30.300 -0.494 0.000 1.377 165 R HN 1.117 nan 8.270 nan 0.000 0.523 166 G N -0.976 107.632 108.800 -0.319 0.000 2.201 166 G HA2 -0.245 3.715 3.960 0.000 0.000 0.212 166 G HA3 -0.245 3.715 3.960 0.000 0.000 0.212 166 G C 0.064 174.809 174.900 -0.258 0.000 0.994 166 G CA -0.073 44.891 45.100 -0.227 0.000 0.644 166 G HN 0.155 nan 8.290 nan 0.000 0.508 167 I N 1.471 121.751 120.570 -0.483 0.000 2.365 167 I HA 0.524 4.694 4.170 0.000 0.000 0.291 167 I C 1.110 177.142 176.117 -0.142 0.000 1.004 167 I CA 0.369 61.451 61.300 -0.364 0.000 1.311 167 I CB 1.768 39.484 38.000 -0.474 0.000 1.401 167 I HN 0.459 nan 8.210 nan 0.000 0.491 168 Q N 1.933 121.715 119.800 -0.030 0.000 2.353 168 Q HA 0.286 4.626 4.340 0.000 0.000 0.226 168 Q C -0.477 175.487 176.000 -0.060 0.000 0.741 168 Q CA -0.477 55.307 55.803 -0.032 0.000 0.934 168 Q CB 0.380 29.133 28.738 0.025 0.000 1.292 168 Q HN 0.416 nan 8.270 nan 0.000 0.481 169 D N 0.879 121.249 120.400 -0.050 0.000 2.383 169 D HA 0.165 4.805 4.640 0.000 0.000 0.248 169 D C -0.529 175.711 176.300 -0.100 0.000 1.170 169 D CA -0.184 53.730 54.000 -0.144 0.000 0.977 169 D CB 0.264 40.978 40.800 -0.143 0.000 1.120 169 D HN 0.110 nan 8.370 nan 0.000 0.481 170 Y N 0.289 120.508 120.300 -0.135 0.000 2.967 170 Y HA -0.169 4.381 4.550 0.000 0.000 0.208 170 Y C 1.527 177.337 175.900 -0.150 0.000 1.214 170 Y CA 0.772 58.775 58.100 -0.161 0.000 0.915 170 Y CB -1.894 36.437 38.460 -0.215 0.000 1.218 170 Y HN 0.723 nan 8.280 nan 0.000 0.472 171 G N -0.335 108.442 108.800 -0.037 0.000 2.187 171 G HA2 -0.426 3.534 3.960 0.000 0.000 0.261 171 G HA3 -0.426 3.534 3.960 0.000 0.000 0.261 171 G C 1.246 176.105 174.900 -0.068 0.000 1.000 171 G CA 0.616 45.683 45.100 -0.056 0.000 0.718 171 G HN 0.598 nan 8.290 nan 0.000 0.519 172 R N -1.175 119.282 120.500 -0.071 0.000 2.115 172 R HA 0.198 4.538 4.340 0.000 0.000 0.226 172 R C 0.868 177.111 176.300 -0.096 0.000 1.100 172 R CA 1.189 57.239 56.100 -0.084 0.000 0.980 172 R CB 0.240 30.494 30.300 -0.077 0.000 0.875 172 R HN 0.345 nan 8.270 nan 0.000 0.445 173 V N 2.229 122.086 119.914 -0.095 0.000 2.357 173 V HA 0.089 4.209 4.120 0.000 0.000 0.284 173 V C -0.513 175.528 176.094 -0.088 0.000 1.018 173 V CA -1.000 61.241 62.300 -0.098 0.000 0.841 173 V CB 1.380 33.146 31.823 -0.095 0.000 0.991 173 V HN 0.144 nan 8.190 nan 0.000 0.437 174 N N 6.064 124.708 118.700 -0.094 0.000 2.498 174 N HA 0.155 4.895 4.740 0.000 0.000 0.277 174 N C -0.197 175.270 175.510 -0.071 0.000 1.208 174 N CA 0.161 53.151 53.050 -0.101 0.000 1.029 174 N CB 0.068 38.485 38.487 -0.118 0.000 1.403 174 N HN 0.615 nan 8.380 nan 0.000 0.500 175 M N 2.990 122.559 119.600 -0.052 0.000 2.143 175 M HA 0.154 4.634 4.480 0.000 0.000 0.348 175 M C 0.019 176.300 176.300 -0.031 0.000 1.375 175 M CA -0.341 54.966 55.300 0.012 0.000 1.124 175 M CB 0.315 32.905 32.600 -0.018 0.000 1.669 175 M HN 0.433 nan 8.290 nan 0.000 0.469 176 N N 4.800 123.516 118.700 0.027 0.000 2.329 176 N HA 0.651 5.391 4.740 0.000 0.000 0.282 176 N C -1.458 174.066 175.510 0.024 0.000 1.198 176 N CA -0.974 52.045 53.050 -0.053 0.000 0.790 176 N CB 1.482 39.887 38.487 -0.138 0.000 1.579 176 N HN 0.707 nan 8.380 nan 0.000 0.475 177 I N -2.318 118.212 120.570 -0.067 0.000 2.389 177 I HA 0.452 4.622 4.170 0.000 0.000 0.288 177 I C -0.888 175.173 176.117 -0.093 0.000 0.999 177 I CA -0.521 60.762 61.300 -0.030 0.000 1.129 177 I CB 1.215 39.176 38.000 -0.064 0.000 1.288 177 I HN 0.388 nan 8.210 nan 0.000 0.444 178 D N 4.732 125.089 120.400 -0.072 0.000 2.911 178 D HA -0.199 4.441 4.640 0.000 0.000 0.227 178 D C 1.227 177.429 176.300 -0.163 0.000 1.164 178 D CA 1.884 55.822 54.000 -0.103 0.000 0.782 178 D CB -1.161 39.588 40.800 -0.086 0.000 1.094 178 D HN 1.342 nan 8.370 nan 0.000 0.425 179 G N -1.356 107.330 108.800 -0.190 0.000 2.175 179 G HA2 -0.344 3.616 3.960 0.000 0.000 0.244 179 G HA3 -0.344 3.616 3.960 0.000 0.000 0.244 179 G C 0.316 174.926 174.900 -0.485 0.000 0.982 179 G CA 0.354 45.299 45.100 -0.257 0.000 0.641 179 G HN 0.407 nan 8.290 nan 0.000 0.527 180 M N 1.521 120.786 119.600 -0.558 0.000 2.105 180 M HA 0.392 4.872 4.480 0.000 0.000 0.350 180 M C 0.784 176.815 176.300 -0.448 0.000 1.308 180 M CA -0.224 54.518 55.300 -0.929 0.000 1.108 180 M CB 0.795 33.068 32.600 -0.545 0.000 1.622 180 M HN 0.095 nan 8.290 nan 0.000 0.468 181 R N 2.633 122.941 120.500 -0.320 0.000 2.401 181 R HA 0.079 4.419 4.340 0.000 0.000 0.299 181 R C -0.369 175.884 176.300 -0.079 0.000 1.064 181 R CA -0.182 55.822 56.100 -0.160 0.000 1.000 181 R CB 0.473 30.640 30.300 -0.221 0.000 0.973 181 R HN 0.494 nan 8.270 nan 0.000 0.438 182 Q N 2.840 122.581 119.800 -0.099 0.000 2.490 182 Q HA 0.108 4.448 4.340 0.000 0.000 0.226 182 Q C -0.232 175.746 176.000 -0.037 0.000 1.132 182 Q CA -0.084 55.679 55.803 -0.067 0.000 0.928 182 Q CB 0.783 29.457 28.738 -0.106 0.000 1.299 182 Q HN 0.442 nan 8.270 nan 0.000 0.528 183 N N 1.040 119.743 118.700 0.005 0.000 2.230 183 N HA 0.040 4.780 4.740 0.000 0.000 0.202 183 N C -0.157 175.379 175.510 0.043 0.000 1.119 183 N CA -0.137 52.918 53.050 0.008 0.000 0.851 183 N CB 0.244 38.745 38.487 0.022 0.000 0.990 183 N HN 0.377 nan 8.380 nan 0.000 0.497 184 F N 1.998 121.912 119.950 -0.060 0.000 2.563 184 F HA 0.144 4.671 4.527 0.000 0.000 0.363 184 F C 0.524 176.285 175.800 -0.065 0.000 1.123 184 F CA 0.422 58.398 58.000 -0.041 0.000 1.307 184 F CB 0.637 39.628 39.000 -0.016 0.000 1.115 184 F HN -0.093 nan 8.300 nan 0.000 0.592 185 Q N 5.988 125.200 119.800 -0.979 0.000 2.353 185 Q HA 0.280 4.620 4.340 0.000 0.000 0.275 185 Q C -1.906 173.547 176.000 -0.911 0.000 1.029 185 Q CA -0.903 54.480 55.803 -0.699 0.000 0.848 185 Q CB 2.212 30.726 28.738 -0.373 0.000 1.390 185 Q HN 0.866 nan 8.270 nan 0.000 0.401 186 K N 2.103 122.196 120.400 -0.512 0.000 2.601 186 K HA 0.384 4.704 4.320 0.000 0.000 0.249 186 K C -1.111 175.430 176.600 -0.098 0.000 0.966 186 K CA -0.298 55.822 56.287 -0.277 0.000 0.827 186 K CB 1.527 33.979 32.500 -0.080 0.000 1.178 186 K HN 0.608 nan 8.250 nan 0.000 0.437 187 S N 1.662 117.338 115.700 -0.040 0.000 2.537 187 S HA 0.328 4.798 4.470 0.000 0.000 0.286 187 S C 0.263 174.879 174.600 0.027 0.000 1.299 187 S CA 0.274 58.491 58.200 0.028 0.000 1.067 187 S CB 1.033 64.268 63.200 0.058 0.000 0.864 187 S HN 0.820 nan 8.310 nan 0.000 0.494 188 G N 1.360 110.183 108.800 0.038 0.000 3.003 188 G HA2 0.332 4.292 3.960 0.000 0.000 0.243 188 G HA3 0.332 4.292 3.960 0.000 0.000 0.243 188 G C -0.481 174.425 174.900 0.008 0.000 1.176 188 G CA -0.653 44.447 45.100 -0.000 0.000 0.812 188 G HN 0.694 nan 8.290 nan 0.000 0.584 189 H N 0.211 119.377 119.070 0.160 0.000 2.562 189 H HA 0.309 4.865 4.556 0.000 0.000 0.272 189 H C 1.937 177.343 175.328 0.130 0.000 1.019 189 H CA 1.108 57.286 56.048 0.216 0.000 1.160 189 H CB 0.044 29.869 29.762 0.105 0.000 1.334 189 H HN 1.030 nan 8.280 nan 0.000 0.611 190 G N 0.634 109.554 108.800 0.199 0.000 2.153 190 G HA2 -0.411 3.549 3.960 0.000 0.000 0.252 190 G HA3 -0.411 3.549 3.960 0.000 0.000 0.252 190 G C 1.004 175.960 174.900 0.094 0.000 0.994 190 G CA 0.688 45.866 45.100 0.131 0.000 0.698 190 G HN 0.439 nan 8.290 nan 0.000 0.521 191 Q N -0.465 119.422 119.800 0.144 0.000 2.119 191 Q HA 0.042 4.382 4.340 0.000 0.000 0.201 191 Q C 1.584 177.606 176.000 0.036 0.000 0.972 191 Q CA 1.805 57.697 55.803 0.148 0.000 0.847 191 Q CB 0.082 28.868 28.738 0.081 0.000 0.903 191 Q HN 0.890 nan 8.270 nan 0.000 0.433 192 R N -0.245 120.253 120.500 -0.005 0.000 2.912 192 R HA 0.346 4.686 4.340 0.000 0.000 0.278 192 R C -1.560 174.657 176.300 -0.138 0.000 1.533 192 R CA -0.537 55.524 56.100 -0.065 0.000 1.061 192 R CB 0.245 30.509 30.300 -0.059 0.000 1.313 192 R HN -0.164 nan 8.270 nan 0.000 0.443 193 N N 2.134 120.690 118.700 -0.239 0.000 2.439 193 N HA 0.343 5.083 4.740 0.000 0.000 0.243 193 N C -0.016 175.123 175.510 -0.619 0.000 1.088 193 N CA 0.695 53.459 53.050 -0.478 0.000 0.940 193 N CB 1.560 39.596 38.487 -0.752 0.000 1.180 193 N HN 0.942 nan 8.380 nan 0.000 0.505 194 G N 0.835 109.384 108.800 -0.417 0.000 3.448 194 G HA2 0.031 3.992 3.960 0.000 0.000 0.685 194 G HA3 0.031 3.992 3.960 0.000 0.000 0.685 194 G C -0.443 174.345 174.900 -0.186 0.000 1.151 194 G CA -0.482 44.433 45.100 -0.309 0.000 1.023 194 G HN 0.717 nan 8.290 nan 0.000 0.499 195 T N -0.592 113.901 114.554 -0.102 0.000 2.792 195 T HA 0.919 5.269 4.350 0.000 0.000 0.303 195 T C -0.066 174.551 174.700 -0.138 0.000 1.310 195 T CA -0.148 61.868 62.100 -0.140 0.000 1.007 195 T CB 2.303 71.061 68.868 -0.183 0.000 1.335 195 T HN 2.163 nan 8.240 nan 0.000 0.504 196 M N -0.047 119.339 119.600 -0.357 0.000 2.755 196 M HA 0.767 5.247 4.480 0.000 0.000 0.273 196 M C -2.190 173.730 176.300 -0.633 0.000 1.278 196 M CA -1.233 53.852 55.300 -0.358 0.000 0.819 196 M CB 2.109 34.527 32.600 -0.303 0.000 1.694 196 M HN 0.686 nan 8.290 nan 0.000 0.460 197 Y N 0.913 121.051 120.300 -0.271 0.000 2.329 197 Y HA 0.753 5.303 4.550 0.000 0.000 0.328 197 Y C -1.174 174.559 175.900 -0.277 0.000 0.992 197 Y CA -0.745 57.190 58.100 -0.274 0.000 1.151 197 Y CB 1.930 40.239 38.460 -0.251 0.000 1.150 197 Y HN 0.636 nan 8.280 nan 0.000 0.450 198 I N 2.303 122.763 120.570 -0.183 0.000 2.647 198 I HA 0.304 4.474 4.170 0.000 0.000 0.295 198 I C 0.297 176.344 176.117 -0.116 0.000 1.078 198 I CA -0.460 60.723 61.300 -0.194 0.000 1.048 198 I CB 1.824 39.609 38.000 -0.357 0.000 1.239 198 I HN 0.677 nan 8.210 nan 0.000 0.421 199 D N 2.729 123.084 120.400 -0.076 0.000 2.249 199 D HA -0.072 4.568 4.640 0.000 0.000 0.205 199 D C 1.304 177.579 176.300 -0.042 0.000 0.962 199 D CA 1.602 55.573 54.000 -0.050 0.000 0.860 199 D CB 0.660 41.435 40.800 -0.041 0.000 0.955 199 D HN 0.678 nan 8.370 nan 0.000 0.505 200 S N -0.633 115.049 115.700 -0.030 0.000 2.857 200 S HA -0.279 4.191 4.470 0.000 0.000 0.268 200 S C 0.909 175.489 174.600 -0.033 0.000 1.297 200 S CA 1.777 59.970 58.200 -0.012 0.000 1.280 200 S CB -1.516 61.675 63.200 -0.016 0.000 1.562 200 S HN 0.355 nan 8.310 nan 0.000 0.661 201 E N 0.229 120.404 120.200 -0.041 0.000 2.434 201 E HA 0.422 4.773 4.350 0.000 0.000 0.207 201 E C 1.107 177.688 176.600 -0.033 0.000 0.929 201 E CA 0.580 56.944 56.400 -0.060 0.000 1.001 201 E CB 0.137 29.802 29.700 -0.059 0.000 1.016 201 E HN 0.731 nan 8.360 nan 0.000 0.502 202 L N 1.239 122.453 121.223 -0.015 0.000 2.872 202 L HA 0.378 4.718 4.340 0.000 0.000 0.245 202 L C -0.305 176.571 176.870 0.010 0.000 1.211 202 L CA -0.171 54.672 54.840 0.004 0.000 1.013 202 L CB 0.184 42.245 42.059 0.003 0.000 1.326 202 L HN -0.005 nan 8.230 nan 0.000 0.525 203 L N -0.773 120.453 121.223 0.005 0.000 2.343 203 L HA 0.298 4.638 4.340 0.000 0.000 0.275 203 L C 1.349 178.211 176.870 -0.013 0.000 1.056 203 L CA -0.156 54.690 54.840 0.009 0.000 0.804 203 L CB 1.873 43.950 42.059 0.031 0.000 1.203 203 L HN 0.106 nan 8.230 nan 0.000 0.440 204 S N -0.303 115.381 115.700 -0.026 0.000 2.492 204 S HA 0.444 4.914 4.470 0.000 0.000 0.218 204 S C 0.586 175.146 174.600 -0.068 0.000 1.016 204 S CA 0.202 58.368 58.200 -0.057 0.000 0.916 204 S CB 0.556 63.713 63.200 -0.072 0.000 0.791 204 S HN 0.935 nan 8.310 nan 0.000 0.513 205 G N -0.296 108.466 108.800 -0.063 0.000 2.313 205 G HA2 0.440 4.400 3.960 0.000 0.000 0.296 205 G HA3 0.440 4.400 3.960 0.000 0.000 0.296 205 G C -2.163 172.663 174.900 -0.123 0.000 1.356 205 G CA -0.319 44.730 45.100 -0.085 0.000 0.833 205 G HN 0.526 nan 8.290 nan 0.000 0.552 206 V N 0.786 120.589 119.914 -0.185 0.000 2.569 206 V HA 0.692 4.812 4.120 0.000 0.000 0.301 206 V C 0.091 176.014 176.094 -0.286 0.000 1.044 206 V CA -0.140 61.959 62.300 -0.336 0.000 0.874 206 V CB 1.761 33.264 31.823 -0.533 0.000 1.002 206 V HN 1.377 nan 8.190 nan 0.000 0.424 207 T N 3.039 117.442 114.554 -0.251 0.000 2.767 207 T HA 0.744 5.094 4.350 0.000 0.000 0.284 207 T C -0.514 174.051 174.700 -0.224 0.000 0.973 207 T CA -0.400 61.600 62.100 -0.166 0.000 0.996 207 T CB 0.888 69.763 68.868 0.012 0.000 0.927 207 T HN 0.402 nan 8.240 nan 0.000 0.456 208 I N 3.566 124.000 120.570 -0.226 0.000 2.347 208 I HA 0.220 4.390 4.170 0.000 0.000 0.283 208 I C -0.036 175.968 176.117 -0.189 0.000 1.058 208 I CA -0.661 60.505 61.300 -0.223 0.000 1.202 208 I CB 0.788 38.644 38.000 -0.240 0.000 1.386 208 I HN 0.650 nan 8.210 nan 0.000 0.475 209 D N 7.489 127.797 120.400 -0.154 0.000 2.422 209 D HA 0.161 4.801 4.640 0.000 0.000 0.227 209 D C -0.049 176.159 176.300 -0.153 0.000 1.190 209 D CA -0.121 53.800 54.000 -0.132 0.000 0.905 209 D CB 0.585 41.328 40.800 -0.095 0.000 1.034 209 D HN 0.339 nan 8.370 nan 0.000 0.507 210 K N 1.374 121.668 120.400 -0.176 0.000 2.126 210 K HA 0.666 4.986 4.320 0.000 0.000 0.257 210 K C 0.736 177.230 176.600 -0.177 0.000 1.007 210 K CA -0.651 55.513 56.287 -0.206 0.000 0.928 210 K CB 1.074 33.420 32.500 -0.257 0.000 1.013 210 K HN 0.527 nan 8.250 nan 0.000 0.473 211 G N 0.138 108.819 108.800 -0.198 0.000 2.566 211 G HA2 -0.184 3.776 3.960 0.000 0.000 0.599 211 G HA3 -0.184 3.776 3.960 0.000 0.000 0.599 211 G C -0.651 174.174 174.900 -0.124 0.000 1.292 211 G CA -0.545 44.468 45.100 -0.144 0.000 0.922 211 G HN 0.725 nan 8.290 nan 0.000 0.514 212 T N -1.089 113.405 114.554 -0.100 0.000 2.727 212 T HA 0.671 5.021 4.350 0.000 0.000 0.298 212 T C 0.701 175.343 174.700 -0.098 0.000 0.942 212 T CA 0.753 62.792 62.100 -0.101 0.000 0.997 212 T CB 0.677 69.482 68.868 -0.105 0.000 0.917 212 T HN 1.742 nan 8.240 nan 0.000 0.487 213 T N 1.086 115.584 114.554 -0.093 0.000 2.937 213 T HA 0.862 5.212 4.350 0.000 0.000 0.283 213 T C 0.359 175.008 174.700 -0.085 0.000 1.012 213 T CA -0.818 61.229 62.100 -0.088 0.000 0.997 213 T CB 1.711 70.522 68.868 -0.096 0.000 1.136 213 T HN 0.914 nan 8.240 nan 0.000 0.551 214 G N -2.202 106.546 108.800 -0.087 0.000 2.642 214 G HA2 0.745 4.705 3.960 0.000 0.000 0.293 214 G HA3 0.745 4.705 3.960 0.000 0.000 0.293 214 G C -0.020 174.773 174.900 -0.177 0.000 1.341 214 G CA -0.241 44.806 45.100 -0.089 0.000 0.916 214 G HN 1.554 nan 8.290 nan 0.000 0.474 215 G N -0.316 108.289 108.800 -0.324 0.000 2.395 215 G HA2 0.095 4.055 3.960 0.000 0.000 0.201 215 G HA3 0.095 4.055 3.960 0.000 0.000 0.201 215 G C 0.873 175.100 174.900 -1.123 0.000 1.206 215 G CA 0.747 45.378 45.100 -0.782 0.000 1.210 215 G HN 1.159 nan 8.290 nan 0.000 0.557 216 M N 1.011 120.114 119.600 -0.828 0.000 2.226 216 M HA 0.318 4.798 4.480 0.000 0.000 0.261 216 M C 2.103 178.254 176.300 -0.248 0.000 1.095 216 M CA 3.026 58.013 55.300 -0.521 0.000 1.100 216 M CB -0.725 31.731 32.600 -0.240 0.000 1.240 216 M HN 1.231 nan 8.290 nan 0.000 0.444 217 G N -0.073 108.616 108.800 -0.184 0.000 3.353 217 G HA2 0.232 4.192 3.960 0.000 0.000 0.247 217 G HA3 0.232 4.192 3.960 0.000 0.000 0.247 217 G C -0.176 174.657 174.900 -0.111 0.000 1.025 217 G CA -0.056 44.971 45.100 -0.123 0.000 1.863 217 G HN 0.465 nan 8.290 nan 0.000 0.635 218 S N -0.207 115.437 115.700 -0.092 0.000 2.668 218 S HA 0.479 4.949 4.470 0.000 0.000 0.244 218 S C 1.628 176.234 174.600 0.009 0.000 1.140 218 S CA 0.014 58.176 58.200 -0.064 0.000 1.134 218 S CB 0.702 63.843 63.200 -0.098 0.000 0.954 218 S HN 0.610 nan 8.310 nan 0.000 0.490 219 A N 1.603 124.457 122.820 0.057 0.000 1.833 219 A HA 0.333 4.653 4.320 0.000 0.000 0.215 219 A C 1.699 179.336 177.584 0.088 0.000 1.275 219 A CA 1.168 53.290 52.037 0.141 0.000 0.602 219 A CB -1.099 18.084 19.000 0.304 0.000 0.929 219 A HN 0.555 nan 8.150 nan 0.000 0.462 220 G N -0.210 108.623 108.800 0.056 0.000 3.782 220 G HA2 0.420 4.380 3.960 0.000 0.000 0.288 220 G HA3 0.420 4.380 3.960 0.000 0.000 0.288 220 G C -0.189 174.680 174.900 -0.052 0.000 1.300 220 G CA 0.103 45.185 45.100 -0.030 0.000 1.261 220 G HN 0.301 nan 8.290 nan 0.000 0.591 221 T N 1.306 115.838 114.554 -0.036 0.000 2.728 221 T HA 0.264 4.614 4.350 0.000 0.000 0.296 221 T C 0.888 175.552 174.700 -0.060 0.000 0.940 221 T CA -0.266 61.797 62.100 -0.061 0.000 1.013 221 T CB 1.508 70.335 68.868 -0.069 0.000 0.912 221 T HN -0.029 nan 8.240 nan 0.000 0.484 222 L N 3.018 124.197 121.223 -0.073 0.000 2.425 222 L HA 0.374 4.714 4.340 0.000 0.000 0.215 222 L C 2.319 179.122 176.870 -0.112 0.000 1.065 222 L CA 1.031 55.832 54.840 -0.065 0.000 0.842 222 L CB -0.531 41.510 42.059 -0.030 0.000 1.033 222 L HN 0.757 nan 8.230 nan 0.000 0.474 223 G N -1.620 107.091 108.800 -0.148 0.000 2.651 223 G HA2 0.505 4.465 3.960 0.000 0.000 0.207 223 G HA3 0.505 4.465 3.960 0.000 0.000 0.207 223 G C 0.598 175.381 174.900 -0.194 0.000 1.131 223 G CA 0.687 45.661 45.100 -0.209 0.000 0.816 223 G HN 0.521 nan 8.290 nan 0.000 0.534 224 G N -0.867 107.838 108.800 -0.158 0.000 2.333 224 G HA2 0.379 4.339 3.960 0.000 0.000 0.288 224 G HA3 0.379 4.339 3.960 0.000 0.000 0.288 224 G C -1.984 172.838 174.900 -0.130 0.000 1.286 224 G CA -0.851 44.159 45.100 -0.150 0.000 0.865 224 G HN 0.296 nan 8.290 nan 0.000 0.506 225 I N 0.836 121.328 120.570 -0.130 0.000 2.447 225 I HA 0.598 4.768 4.170 0.000 0.000 0.287 225 I C 0.228 176.268 176.117 -0.129 0.000 1.023 225 I CA -0.958 60.271 61.300 -0.119 0.000 1.083 225 I CB 2.153 40.082 38.000 -0.119 0.000 1.245 225 I HN 0.744 nan 8.210 nan 0.000 0.434 226 A N 4.543 127.302 122.820 -0.102 0.000 2.412 226 A HA 0.594 4.914 4.320 0.000 0.000 0.334 226 A C -0.046 177.465 177.584 -0.122 0.000 1.419 226 A CA -0.380 51.573 52.037 -0.140 0.000 0.930 226 A CB -0.031 18.952 19.000 -0.028 0.000 1.149 226 A HN 0.650 nan 8.150 nan 0.000 0.515 227 T N 2.796 117.211 114.554 -0.231 0.000 2.743 227 T HA 0.470 4.820 4.350 0.000 0.000 0.293 227 T C -0.647 173.869 174.700 -0.306 0.000 0.945 227 T CA 0.268 62.271 62.100 -0.162 0.000 1.030 227 T CB -0.154 68.630 68.868 -0.140 0.000 0.912 227 T HN 0.321 nan 8.240 nan 0.000 0.483 228 F N 3.325 123.210 119.950 -0.108 0.000 2.361 228 F HA 0.364 4.891 4.527 0.000 0.000 0.364 228 F C 0.787 176.529 175.800 -0.096 0.000 1.120 228 F CA -1.215 56.726 58.000 -0.098 0.000 1.102 228 F CB 0.681 39.621 39.000 -0.100 0.000 1.183 228 F HN 0.367 nan 8.300 nan 0.000 0.476 229 N N 1.957 120.664 118.700 0.012 0.000 2.434 229 N HA 0.234 4.974 4.740 0.000 0.000 0.272 229 N C -0.025 175.484 175.510 -0.001 0.000 1.040 229 N CA -0.214 52.825 53.050 -0.018 0.000 0.956 229 N CB 1.553 40.006 38.487 -0.058 0.000 1.108 229 N HN 0.578 nan 8.380 nan 0.000 0.481 230 T N -2.078 112.472 114.554 -0.007 0.000 2.922 230 T HA 0.354 4.704 4.350 0.000 0.000 0.285 230 T C 0.582 175.282 174.700 -0.001 0.000 1.005 230 T CA -0.794 61.306 62.100 0.000 0.000 1.061 230 T CB 0.933 69.798 68.868 -0.005 0.000 1.007 230 T HN 0.089 nan 8.240 nan 0.000 0.502 231 V N 3.407 123.334 119.914 0.022 0.000 2.644 231 V HA 0.239 4.359 4.120 0.000 0.000 0.305 231 V C 0.935 177.063 176.094 0.057 0.000 1.053 231 V CA 0.441 62.775 62.300 0.057 0.000 1.186 231 V CB -0.070 31.835 31.823 0.137 0.000 0.895 231 V HN 1.212 nan 8.190 nan 0.000 0.490 232 S N 3.839 119.563 115.700 0.039 0.000 2.677 232 S HA 0.748 5.218 4.470 0.000 0.000 0.304 232 S C 0.940 175.586 174.600 0.075 0.000 1.108 232 S CA -0.247 57.970 58.200 0.027 0.000 0.944 232 S CB 1.920 65.103 63.200 -0.028 0.000 1.127 232 S HN 0.920 nan 8.310 nan 0.000 0.511 233 A N 1.498 124.347 122.820 0.048 0.000 1.933 233 A HA -0.051 4.269 4.320 0.000 0.000 0.218 233 A C 2.160 179.773 177.584 0.048 0.000 1.175 233 A CA 1.943 54.023 52.037 0.072 0.000 0.628 233 A CB -1.533 17.472 19.000 0.009 0.000 0.814 233 A HN 1.303 nan 8.150 nan 0.000 0.444 234 S N -0.190 115.494 115.700 -0.028 0.000 2.547 234 S HA -0.091 4.379 4.470 0.000 0.000 0.235 234 S C 0.759 175.270 174.600 -0.148 0.000 0.980 234 S CA 1.108 59.265 58.200 -0.071 0.000 0.941 234 S CB -0.304 62.846 63.200 -0.082 0.000 0.763 234 S HN 0.501 nan 8.310 nan 0.000 0.532 235 D N 0.190 120.440 120.400 -0.250 0.000 2.355 235 D HA 0.200 4.840 4.640 0.000 0.000 0.218 235 D C 0.342 176.118 176.300 -0.874 0.000 1.004 235 D CA 0.531 54.179 54.000 -0.587 0.000 0.880 235 D CB -0.030 40.270 40.800 -0.832 0.000 0.911 235 D HN 0.543 nan 8.370 nan 0.000 0.528 236 F N -0.795 119.091 119.950 -0.107 0.000 2.912 236 F HA 0.264 4.792 4.527 0.000 0.000 0.357 236 F C 0.810 176.548 175.800 -0.102 0.000 1.003 236 F CA -0.295 57.623 58.000 -0.136 0.000 1.132 236 F CB 0.642 39.530 39.000 -0.186 0.000 1.055 236 F HN -0.240 nan 8.300 nan 0.000 0.572 237 L N 0.182 121.445 121.223 0.067 0.000 2.400 237 L HA 0.858 5.198 4.340 0.000 0.000 0.264 237 L C -0.026 176.840 176.870 -0.007 0.000 1.061 237 L CA -0.911 53.949 54.840 0.033 0.000 0.799 237 L CB 1.416 43.490 42.059 0.025 0.000 1.240 237 L HN -0.007 nan 8.230 nan 0.000 0.461 238 A N 0.348 123.166 122.820 -0.002 0.000 2.602 238 A HA 0.623 4.943 4.320 0.000 0.000 0.290 238 A C -2.415 175.164 177.584 -0.008 0.000 1.114 238 A CA -0.970 51.059 52.037 -0.014 0.000 0.683 238 A CB 1.042 20.035 19.000 -0.011 0.000 1.281 238 A HN 0.484 nan 8.150 nan 0.000 0.416 239 P HA -0.077 nan 4.420 nan 0.000 0.216 239 P C 1.426 178.726 177.300 0.000 0.000 1.150 239 P CA 2.229 65.325 63.100 -0.007 0.000 0.843 239 P CB 0.253 31.946 31.700 -0.011 0.000 0.787 240 G N -1.325 107.477 108.800 0.002 0.000 2.545 240 G HA2 -0.059 3.901 3.960 0.000 0.000 0.212 240 G HA3 -0.059 3.901 3.960 0.000 0.000 0.212 240 G C 0.525 175.435 174.900 0.016 0.000 1.144 240 G CA -0.042 45.063 45.100 0.009 0.000 0.813 240 G HN 0.226 nan 8.290 nan 0.000 0.531 241 K N 1.122 121.533 120.400 0.018 0.000 2.234 241 K HA 0.266 4.586 4.320 0.000 0.000 0.282 241 K C -0.021 176.599 176.600 0.034 0.000 1.039 241 K CA -0.119 56.187 56.287 0.031 0.000 0.928 241 K CB 0.728 33.250 32.500 0.037 0.000 1.039 241 K HN 0.104 nan 8.250 nan 0.000 0.470 242 E N 4.072 124.297 120.200 0.042 0.000 2.603 242 E HA 0.147 4.497 4.350 0.000 0.000 0.211 242 E C -0.715 175.918 176.600 0.055 0.000 0.995 242 E CA -0.104 56.319 56.400 0.039 0.000 0.990 242 E CB 0.638 30.356 29.700 0.031 0.000 1.036 242 E HN 0.404 nan 8.360 nan 0.000 0.475 243 L N 0.092 121.364 121.223 0.082 0.000 2.676 243 L HA 0.572 4.912 4.340 0.000 0.000 0.262 243 L C -1.053 175.927 176.870 0.184 0.000 0.932 243 L CA -0.450 54.465 54.840 0.124 0.000 0.932 243 L CB 1.479 43.614 42.059 0.127 0.000 1.355 243 L HN 0.106 nan 8.230 nan 0.000 0.421 244 G N 1.874 110.765 108.800 0.150 0.000 2.749 244 G HA2 0.869 4.829 3.960 0.000 0.000 0.300 244 G HA3 0.869 4.829 3.960 0.000 0.000 0.300 244 G C -0.675 173.924 174.900 -0.501 0.000 1.352 244 G CA -0.253 44.830 45.100 -0.028 0.000 0.789 244 G HN 1.167 nan 8.290 nan 0.000 0.509 245 G N -1.172 106.934 108.800 -1.156 0.000 2.369 245 G HA2 0.512 4.472 3.960 0.000 0.000 0.295 245 G HA3 0.512 4.472 3.960 0.000 0.000 0.295 245 G C -1.631 172.311 174.900 -1.597 0.000 1.298 245 G CA -0.063 44.115 45.100 -1.538 0.000 0.940 245 G HN 0.947 nan 8.290 nan 0.000 0.536 246 K N -0.193 119.685 120.400 -0.869 0.000 2.571 246 K HA 0.556 4.876 4.320 0.000 0.000 0.252 246 K C -1.390 175.219 176.600 0.014 0.000 0.956 246 K CA -0.791 55.313 56.287 -0.305 0.000 0.822 246 K CB 1.296 33.668 32.500 -0.214 0.000 1.286 246 K HN 0.542 nan 8.250 nan 0.000 0.439 247 L N 4.465 125.827 121.223 0.231 0.000 2.296 247 L HA 0.473 4.813 4.340 0.000 0.000 0.286 247 L C -0.271 176.739 176.870 0.234 0.000 1.023 247 L CA -0.923 54.052 54.840 0.225 0.000 0.812 247 L CB 1.437 43.643 42.059 0.244 0.000 1.223 247 L HN 0.597 nan 8.230 nan 0.000 0.421 248 H N 3.104 122.229 119.070 0.092 0.000 2.637 248 H HA 0.775 5.331 4.556 0.000 0.000 0.363 248 H C -1.715 173.647 175.328 0.056 0.000 1.131 248 H CA -0.615 55.474 56.048 0.068 0.000 1.183 248 H CB 2.303 32.080 29.762 0.026 0.000 1.637 248 H HN 0.710 nan 8.280 nan 0.000 0.531 249 A N 3.549 126.006 122.820 -0.604 0.000 2.429 249 A HA 0.476 4.796 4.320 0.000 0.000 0.289 249 A C -0.983 176.317 177.584 -0.474 0.000 1.043 249 A CA -0.200 51.613 52.037 -0.373 0.000 0.722 249 A CB 1.185 20.218 19.000 0.055 0.000 1.243 249 A HN 0.756 nan 8.150 nan 0.000 0.415 250 S N 0.930 116.398 115.700 -0.386 0.000 2.667 250 S HA 0.967 5.437 4.470 0.000 0.000 0.292 250 S C -0.396 174.179 174.600 -0.041 0.000 1.126 250 S CA -0.147 57.955 58.200 -0.163 0.000 0.881 250 S CB 2.118 65.303 63.200 -0.026 0.000 1.132 250 S HN 1.868 nan 8.310 nan 0.000 0.492 251 T N -0.993 113.580 114.554 0.030 0.000 2.775 251 T HA 0.715 5.065 4.350 0.000 0.000 0.320 251 T C -0.401 174.338 174.700 0.065 0.000 1.597 251 T CA 0.142 62.291 62.100 0.082 0.000 1.022 251 T CB 0.921 69.874 68.868 0.141 0.000 1.485 251 T HN 1.677 nan 8.240 nan 0.000 0.494 252 G N 1.409 110.249 108.800 0.067 0.000 2.731 252 G HA2 0.627 4.587 3.960 0.000 0.000 0.309 252 G HA3 0.627 4.587 3.960 0.000 0.000 0.309 252 G C -1.604 173.332 174.900 0.059 0.000 1.273 252 G CA -0.079 45.055 45.100 0.057 0.000 0.798 252 G HN 0.908 nan 8.290 nan 0.000 0.509 253 D N -1.807 118.629 120.400 0.060 0.000 2.588 253 D HA 0.417 5.057 4.640 0.000 0.000 0.268 253 D C 0.410 176.755 176.300 0.074 0.000 1.176 253 D CA -0.957 53.087 54.000 0.074 0.000 1.080 253 D CB 0.353 41.205 40.800 0.088 0.000 1.186 253 D HN 0.427 nan 8.370 nan 0.000 0.619 254 N N -1.111 117.666 118.700 0.128 0.000 2.714 254 N HA -0.178 4.562 4.740 0.000 0.000 0.253 254 N C 0.930 176.489 175.510 0.082 0.000 1.024 254 N CA 2.025 55.185 53.050 0.183 0.000 0.726 254 N CB -1.313 37.303 38.487 0.215 0.000 0.908 254 N HN 1.088 nan 8.380 nan 0.000 0.542 255 G N -2.217 106.554 108.800 -0.048 0.000 2.268 255 G HA2 -0.282 3.678 3.960 0.000 0.000 0.240 255 G HA3 -0.282 3.678 3.960 0.000 0.000 0.240 255 G C 0.324 174.977 174.900 -0.412 0.000 1.010 255 G CA 0.389 45.343 45.100 -0.243 0.000 0.618 255 G HN 0.713 nan 8.290 nan 0.000 0.516 256 T N 2.548 116.992 114.554 -0.182 0.000 3.162 256 T HA 0.347 4.697 4.350 0.000 0.000 0.264 256 T C 1.371 176.037 174.700 -0.057 0.000 0.959 256 T CA 0.196 62.231 62.100 -0.108 0.000 1.118 256 T CB 0.079 68.932 68.868 -0.025 0.000 0.979 256 T HN 0.402 nan 8.240 nan 0.000 0.679 257 H N 1.710 120.838 119.070 0.098 0.000 2.266 257 H HA 0.212 4.768 4.556 0.000 0.000 0.308 257 H C 0.291 175.748 175.328 0.215 0.000 1.057 257 H CA 0.703 56.832 56.048 0.134 0.000 1.330 257 H CB 0.111 29.954 29.762 0.135 0.000 1.400 257 H HN 0.550 nan 8.280 nan 0.000 0.503 258 F N -0.236 119.830 119.950 0.194 0.000 2.596 258 F HA 0.488 5.015 4.527 0.000 0.000 0.311 258 F C -1.619 174.255 175.800 0.124 0.000 1.116 258 F CA -0.772 57.301 58.000 0.123 0.000 0.957 258 F CB 1.723 40.772 39.000 0.082 0.000 1.250 258 F HN -0.128 nan 8.300 nan 0.000 0.444 259 I N 5.804 125.921 120.570 -0.755 0.000 2.576 259 I HA 0.487 4.657 4.170 0.000 0.000 0.279 259 I C -0.336 175.358 176.117 -0.705 0.000 1.114 259 I CA -0.414 60.552 61.300 -0.557 0.000 1.076 259 I CB 1.388 39.272 38.000 -0.193 0.000 1.212 259 I HN 0.754 nan 8.210 nan 0.000 0.472 260 G N 3.075 111.362 108.800 -0.854 0.000 2.730 260 G HA2 0.872 4.832 3.960 0.000 0.000 0.289 260 G HA3 0.872 4.832 3.960 0.000 0.000 0.289 260 G C -1.158 173.742 174.900 -0.000 0.000 1.341 260 G CA -0.655 44.239 45.100 -0.343 0.000 0.932 260 G HN 0.537 nan 8.290 nan 0.000 0.481 261 S N -1.920 113.852 115.700 0.122 0.000 2.552 261 S HA 0.759 5.229 4.470 0.000 0.000 0.272 261 S C -0.654 174.016 174.600 0.117 0.000 1.150 261 S CA -0.240 58.026 58.200 0.109 0.000 0.849 261 S CB 1.538 64.777 63.200 0.065 0.000 1.113 261 S HN 1.865 nan 8.310 nan 0.000 0.458 262 G N 0.898 109.749 108.800 0.085 0.000 2.666 262 G HA2 0.697 4.657 3.960 0.000 0.000 0.303 262 G HA3 0.697 4.657 3.960 0.000 0.000 0.303 262 G C -1.212 173.690 174.900 0.003 0.000 1.412 262 G CA -0.791 44.348 45.100 0.066 0.000 0.979 262 G HN 0.817 nan 8.290 nan 0.000 0.507 263 I N 2.253 122.774 120.570 -0.082 0.000 2.466 263 I HA 0.416 4.586 4.170 0.000 0.000 0.289 263 I C -0.738 175.222 176.117 -0.262 0.000 1.026 263 I CA -0.687 60.488 61.300 -0.208 0.000 1.078 263 I CB 2.208 39.966 38.000 -0.404 0.000 1.249 263 I HN 0.117 nan 8.210 nan 0.000 0.429 264 L N 5.969 127.102 121.223 -0.151 0.000 2.381 264 L HA 0.832 5.172 4.340 0.000 0.000 0.274 264 L C -0.259 176.558 176.870 -0.089 0.000 0.988 264 L CA -0.503 54.291 54.840 -0.077 0.000 0.824 264 L CB 1.932 44.023 42.059 0.053 0.000 1.263 264 L HN 0.678 nan 8.230 nan 0.000 0.410 265 A N 4.749 127.511 122.820 -0.097 0.000 2.374 265 A HA 1.021 5.341 4.320 0.000 0.000 0.317 265 A C -1.004 176.593 177.584 0.022 0.000 1.094 265 A CA -0.556 51.465 52.037 -0.026 0.000 0.765 265 A CB 1.900 20.909 19.000 0.015 0.000 1.268 265 A HN 0.740 nan 8.150 nan 0.000 0.438 266 L N -0.913 120.321 121.223 0.018 0.000 2.611 266 L HA 0.927 5.267 4.340 0.000 0.000 0.260 266 L C -0.418 176.454 176.870 0.002 0.000 0.924 266 L CA -0.331 54.525 54.840 0.027 0.000 0.901 266 L CB 1.581 43.663 42.059 0.038 0.000 1.369 266 L HN 1.419 nan 8.230 nan 0.000 0.415 267 G N 1.405 110.208 108.800 0.005 0.000 2.523 267 G HA2 0.520 4.481 3.960 0.000 0.000 0.291 267 G HA3 0.520 4.481 3.960 0.000 0.000 0.291 267 G C -1.680 173.220 174.900 -0.000 0.000 1.450 267 G CA -0.154 44.940 45.100 -0.011 0.000 0.790 267 G HN 0.995 nan 8.290 nan 0.000 0.496 268 N N -1.223 117.476 118.700 -0.002 0.000 3.084 268 N HA 0.378 5.119 4.740 0.000 0.000 0.336 268 N C 0.422 175.935 175.510 0.005 0.000 1.391 268 N CA -0.463 52.591 53.050 0.007 0.000 0.712 268 N CB 0.489 38.985 38.487 0.015 0.000 1.248 268 N HN 0.289 nan 8.380 nan 0.000 0.545 269 E N -0.922 119.286 120.200 0.013 0.000 2.489 269 E HA 0.042 4.392 4.350 0.000 0.000 0.193 269 E C 0.420 177.036 176.600 0.027 0.000 1.057 269 E CA 0.623 57.032 56.400 0.015 0.000 0.866 269 E CB -0.296 29.414 29.700 0.016 0.000 0.916 269 E HN 0.811 nan 8.360 nan 0.000 0.500 270 T N -3.274 111.301 114.554 0.035 0.000 3.044 270 T HA 0.487 4.837 4.350 0.000 0.000 0.260 270 T C 0.801 175.544 174.700 0.072 0.000 1.019 270 T CA 0.187 62.328 62.100 0.069 0.000 0.921 270 T CB 1.042 69.961 68.868 0.085 0.000 1.053 270 T HN 0.131 nan 8.240 nan 0.000 0.533 271 G N 1.117 109.919 108.800 0.002 0.000 2.333 271 G HA2 0.467 4.427 3.960 0.000 0.000 0.288 271 G HA3 0.467 4.427 3.960 0.000 0.000 0.288 271 G C -2.489 172.343 174.900 -0.115 0.000 1.286 271 G CA -0.210 44.834 45.100 -0.093 0.000 0.865 271 G HN 0.689 nan 8.290 nan 0.000 0.506 272 D N -2.014 118.269 120.400 -0.196 0.000 2.766 272 D HA 0.508 5.149 4.640 0.000 0.000 0.244 272 D C -1.524 174.669 176.300 -0.179 0.000 1.198 272 D CA -0.379 53.538 54.000 -0.138 0.000 0.739 272 D CB 1.177 41.925 40.800 -0.086 0.000 1.379 272 D HN 1.154 nan 8.370 nan 0.000 0.437 273 I N 0.375 120.879 120.570 -0.111 0.000 2.498 273 I HA 0.655 4.825 4.170 0.000 0.000 0.290 273 I C -1.978 174.111 176.117 -0.047 0.000 1.032 273 I CA -0.889 60.353 61.300 -0.097 0.000 1.073 273 I CB 1.681 39.633 38.000 -0.081 0.000 1.251 273 I HN 0.570 nan 8.210 nan 0.000 0.426 274 L N 8.479 129.681 121.223 -0.035 0.000 2.356 274 L HA 0.605 4.945 4.340 0.000 0.000 0.277 274 L C -1.962 174.908 176.870 0.000 0.000 0.996 274 L CA -0.630 54.204 54.840 -0.011 0.000 0.822 274 L CB 1.571 43.635 42.059 0.009 0.000 1.256 274 L HN 0.649 nan 8.230 nan 0.000 0.413 275 L N 4.927 126.148 121.223 -0.003 0.000 2.356 275 L HA 0.828 5.168 4.340 0.000 0.000 0.277 275 L C -0.357 176.514 176.870 0.002 0.000 0.996 275 L CA -0.397 54.451 54.840 0.013 0.000 0.822 275 L CB 1.842 43.913 42.059 0.018 0.000 1.256 275 L HN 0.785 nan 8.230 nan 0.000 0.413 276 A N 2.822 125.654 122.820 0.020 0.000 2.566 276 A HA 1.017 5.337 4.320 0.000 0.000 0.292 276 A C -1.425 176.183 177.584 0.040 0.000 1.112 276 A CA -0.296 51.749 52.037 0.014 0.000 0.707 276 A CB 2.182 21.182 19.000 0.000 0.000 1.302 276 A HN 0.811 nan 8.150 nan 0.000 0.409 277 A N 0.053 122.900 122.820 0.046 0.000 2.604 277 A HA 0.889 5.209 4.320 0.000 0.000 0.295 277 A C -0.534 177.095 177.584 0.075 0.000 1.067 277 A CA 0.197 52.274 52.037 0.067 0.000 0.683 277 A CB 1.164 20.215 19.000 0.085 0.000 1.281 277 A HN 2.379 nan 8.150 nan 0.000 0.407 278 S N 0.604 116.352 115.700 0.079 0.000 2.546 278 S HA 0.836 5.306 4.470 0.000 0.000 0.274 278 S C -1.437 173.220 174.600 0.095 0.000 1.121 278 S CA -0.755 57.490 58.200 0.074 0.000 0.887 278 S CB 2.034 65.248 63.200 0.023 0.000 1.094 278 S HN 0.614 nan 8.310 nan 0.000 0.474 279 E N 1.198 121.469 120.200 0.118 0.000 2.224 279 E HA 0.420 4.770 4.350 0.000 0.000 0.265 279 E C -0.971 175.644 176.600 0.024 0.000 0.878 279 E CA -0.448 56.054 56.400 0.170 0.000 0.759 279 E CB 2.403 32.416 29.700 0.522 0.000 1.164 279 E HN 0.714 nan 8.360 nan 0.000 0.414 280 R N 3.378 123.762 120.500 -0.194 0.000 2.451 280 R HA 0.329 4.669 4.340 0.000 0.000 0.307 280 R C -1.191 174.807 176.300 -0.503 0.000 0.965 280 R CA -0.396 55.551 56.100 -0.256 0.000 0.865 280 R CB 0.753 30.891 30.300 -0.270 0.000 1.174 280 R HN 0.514 nan 8.270 nan 0.000 0.455 281 H N 6.526 125.553 119.070 -0.072 0.000 2.860 281 H HA 0.338 4.894 4.556 0.000 0.000 0.312 281 H C -0.666 174.695 175.328 0.054 0.000 0.995 281 H CA -0.569 55.478 56.048 -0.001 0.000 1.311 281 H CB 1.518 31.362 29.762 0.135 0.000 1.478 281 H HN 0.384 nan 8.280 nan 0.000 0.508 282 L N 1.567 122.792 121.223 0.003 0.000 2.323 282 L HA 0.721 5.061 4.340 0.000 0.000 0.265 282 L C 0.747 177.710 176.870 0.155 0.000 1.012 282 L CA -0.983 53.849 54.840 -0.014 0.000 0.820 282 L CB 2.422 44.368 42.059 -0.188 0.000 1.334 282 L HN 0.585 nan 8.230 nan 0.000 0.427 283 G N -0.793 108.032 108.800 0.042 0.000 3.042 283 G HA2 0.448 4.408 3.960 0.000 0.000 0.278 283 G HA3 0.448 4.408 3.960 0.000 0.000 0.278 283 G C -1.492 173.486 174.900 0.129 0.000 1.371 283 G CA -0.553 44.648 45.100 0.169 0.000 1.009 283 G HN 0.457 nan 8.290 nan 0.000 0.523 284 D N 0.274 120.717 120.400 0.072 0.000 2.455 284 D HA 0.351 4.991 4.640 0.000 0.000 0.241 284 D C -0.284 175.933 176.300 -0.137 0.000 1.138 284 D CA 0.753 54.706 54.000 -0.079 0.000 0.877 284 D CB 0.718 41.417 40.800 -0.169 0.000 1.187 284 D HN 0.384 nan 8.370 nan 0.000 0.451 285 Y N -1.366 118.831 120.300 -0.172 0.000 2.587 285 Y HA 0.669 5.219 4.550 0.000 0.000 0.337 285 Y C -0.794 174.988 175.900 -0.197 0.000 1.065 285 Y CA -1.706 56.309 58.100 -0.142 0.000 1.126 285 Y CB 0.601 39.046 38.460 -0.024 0.000 1.279 285 Y HN 0.252 nan 8.280 nan 0.000 0.489 286 W N 2.617 124.040 121.300 0.204 0.000 2.315 286 W HA 0.569 5.229 4.660 0.000 0.000 0.316 286 W C -2.293 174.377 176.519 0.250 0.000 1.211 286 W CA -1.550 55.873 57.345 0.131 0.000 1.201 286 W CB 0.840 30.365 29.460 0.109 0.000 1.184 286 W HN 0.354 nan 8.180 nan 0.000 0.544 287 P HA 0.201 nan 4.420 nan 0.000 0.297 287 P C 0.326 177.807 177.300 0.301 0.000 1.303 287 P CA -0.428 62.868 63.100 0.327 0.000 0.753 287 P CB 0.412 32.236 31.700 0.207 0.000 1.281 288 G N -0.431 108.523 108.800 0.256 0.000 2.636 288 G HA2 0.042 4.002 3.960 0.000 0.000 0.246 288 G HA3 0.042 4.002 3.960 0.000 0.000 0.246 288 G C 0.519 175.528 174.900 0.182 0.000 1.216 288 G CA 0.066 45.303 45.100 0.228 0.000 0.854 288 G HN 0.523 nan 8.290 nan 0.000 0.572 289 N N -1.434 117.353 118.700 0.144 0.000 2.445 289 N HA 0.045 4.785 4.740 0.000 0.000 0.204 289 N C 0.414 175.982 175.510 0.096 0.000 1.098 289 N CA 0.372 53.486 53.050 0.106 0.000 0.859 289 N CB 0.358 38.886 38.487 0.068 0.000 1.249 289 N HN 0.255 nan 8.380 nan 0.000 0.462 290 K N 0.545 121.010 120.400 0.108 0.000 2.106 290 K HA 0.617 4.937 4.320 0.000 0.000 0.246 290 K C 0.483 177.159 176.600 0.126 0.000 0.987 290 K CA -0.128 56.221 56.287 0.103 0.000 0.904 290 K CB 0.556 33.115 32.500 0.097 0.000 1.071 290 K HN 0.277 nan 8.250 nan 0.000 0.453 291 G N 1.342 110.214 108.800 0.119 0.000 2.795 291 G HA2 -0.163 3.797 3.960 0.000 0.000 0.664 291 G HA3 -0.163 3.797 3.960 0.000 0.000 0.664 291 G C -1.376 173.608 174.900 0.140 0.000 1.381 291 G CA -0.741 44.442 45.100 0.138 0.000 0.853 291 G HN 0.486 nan 8.290 nan 0.000 0.545 292 D N -0.171 120.321 120.400 0.153 0.000 2.229 292 D HA 0.696 5.336 4.640 0.000 0.000 0.249 292 D C 1.322 177.731 176.300 0.182 0.000 1.027 292 D CA 0.297 54.394 54.000 0.161 0.000 0.923 292 D CB 1.606 42.499 40.800 0.155 0.000 1.174 292 D HN 0.788 nan 8.370 nan 0.000 0.443 293 I N -2.828 117.854 120.570 0.187 0.000 3.861 293 I HA 0.678 4.848 4.170 0.000 0.000 0.262 293 I C 0.861 177.081 176.117 0.173 0.000 1.269 293 I CA -1.277 60.131 61.300 0.179 0.000 1.140 293 I CB 0.252 38.342 38.000 0.150 0.000 1.424 293 I HN 0.295 nan 8.210 nan 0.000 0.527 294 G N 0.915 109.794 108.800 0.132 0.000 2.469 294 G HA2 -0.106 3.854 3.960 0.000 0.000 0.229 294 G HA3 -0.106 3.854 3.960 0.000 0.000 0.229 294 G C -0.010 174.943 174.900 0.087 0.000 1.222 294 G CA 0.477 45.617 45.100 0.066 0.000 0.861 294 G HN 0.871 nan 8.290 nan 0.000 0.538 295 N N 0.114 118.785 118.700 -0.049 0.000 2.325 295 N HA 0.024 4.764 4.740 0.000 0.000 0.220 295 N C 1.800 177.183 175.510 -0.211 0.000 1.176 295 N CA -0.055 52.891 53.050 -0.174 0.000 0.861 295 N CB 0.290 38.677 38.487 -0.167 0.000 1.230 295 N HN 0.312 nan 8.380 nan 0.000 0.479 296 I N 0.302 120.759 120.570 -0.188 0.000 2.731 296 I HA 0.142 4.312 4.170 0.000 0.000 0.260 296 I C 2.210 178.224 176.117 -0.171 0.000 1.138 296 I CA 0.595 61.774 61.300 -0.202 0.000 1.461 296 I CB -0.953 36.889 38.000 -0.264 0.000 1.128 296 I HN 0.105 nan 8.210 nan 0.000 0.438 297 R N 2.171 122.572 120.500 -0.165 0.000 2.066 297 R HA 0.064 4.404 4.340 0.000 0.000 0.232 297 R C 0.780 177.025 176.300 -0.091 0.000 1.131 297 R CA 1.343 57.360 56.100 -0.139 0.000 0.955 297 R CB -0.565 29.647 30.300 -0.146 0.000 0.851 297 R HN 0.243 nan 8.270 nan 0.000 0.432 298 I N 2.081 122.637 120.570 -0.023 0.000 2.306 298 I HA 0.281 4.451 4.170 0.000 0.000 0.288 298 I C -0.546 175.655 176.117 0.140 0.000 1.036 298 I CA -0.627 60.721 61.300 0.080 0.000 1.221 298 I CB 0.779 38.897 38.000 0.196 0.000 1.385 298 I HN 0.362 nan 8.210 nan 0.000 0.472 299 N N 4.447 123.192 118.700 0.074 0.000 3.546 299 N HA 0.194 4.934 4.740 0.000 0.000 0.362 299 N C -0.047 175.483 175.510 0.034 0.000 1.477 299 N CA -0.586 52.457 53.050 -0.012 0.000 0.841 299 N CB 0.247 38.630 38.487 -0.173 0.000 2.283 299 N HN 0.345 nan 8.380 nan 0.000 0.497 300 N N -1.032 117.660 118.700 -0.013 0.000 2.972 300 N HA -0.138 4.602 4.740 0.000 0.000 0.225 300 N C -1.109 174.431 175.510 0.051 0.000 0.883 300 N CA 1.534 54.590 53.050 0.009 0.000 1.010 300 N CB -1.446 37.046 38.487 0.008 0.000 1.052 300 N HN 0.745 nan 8.380 nan 0.000 0.598 301 D N -1.382 119.078 120.400 0.100 0.000 2.845 301 D HA -0.188 4.452 4.640 0.000 0.000 0.229 301 D C 0.219 176.593 176.300 0.123 0.000 1.170 301 D CA 1.724 55.803 54.000 0.132 0.000 0.717 301 D CB -1.983 38.867 40.800 0.083 0.000 1.073 301 D HN 0.752 nan 8.370 nan 0.000 0.424 302 T N -2.838 111.801 114.554 0.142 0.000 3.607 302 T HA 0.489 4.839 4.350 0.000 0.000 0.225 302 T C 1.190 176.021 174.700 0.217 0.000 0.904 302 T CA 0.167 62.348 62.100 0.135 0.000 0.962 302 T CB 0.409 69.336 68.868 0.098 0.000 1.221 302 T HN 0.444 nan 8.240 nan 0.000 0.641 303 G N 1.132 110.052 108.800 0.200 0.000 3.800 303 G HA2 0.024 3.984 3.960 0.000 0.000 0.221 303 G HA3 0.024 3.984 3.960 0.000 0.000 0.221 303 G C -0.254 174.590 174.900 -0.094 0.000 0.893 303 G CA -0.629 44.574 45.100 0.171 0.000 0.986 303 G HN 0.486 nan 8.290 nan 0.000 0.719 304 N N -1.282 117.417 118.700 -0.001 0.000 2.483 304 N HA -0.189 4.551 4.740 0.000 0.000 0.280 304 N C 0.399 175.873 175.510 -0.060 0.000 1.315 304 N CA 0.915 53.932 53.050 -0.055 0.000 0.637 304 N CB -1.674 36.725 38.487 -0.148 0.000 0.893 304 N HN 0.676 nan 8.380 nan 0.000 0.535 305 Y N 1.557 121.873 120.300 0.027 0.000 2.139 305 Y HA -0.325 4.225 4.550 0.000 0.000 0.282 305 Y C 1.593 177.516 175.900 0.037 0.000 1.179 305 Y CA 2.365 60.525 58.100 0.101 0.000 1.161 305 Y CB 0.088 38.594 38.460 0.077 0.000 0.970 305 Y HN 0.480 nan 8.280 nan 0.000 0.511 306 D N 0.029 120.336 120.400 -0.154 0.000 2.123 306 D HA -0.212 4.428 4.640 0.000 0.000 0.196 306 D C 2.233 178.382 176.300 -0.252 0.000 0.992 306 D CA 1.646 55.501 54.000 -0.242 0.000 0.833 306 D CB -0.454 40.309 40.800 -0.062 0.000 0.954 306 D HN 0.451 nan 8.370 nan 0.000 0.455 307 R N -0.544 119.806 120.500 -0.250 0.000 2.066 307 R HA -0.158 4.182 4.340 0.000 0.000 0.232 307 R C 2.168 178.345 176.300 -0.206 0.000 1.131 307 R CA 1.028 56.980 56.100 -0.246 0.000 0.955 307 R CB -0.233 29.875 30.300 -0.319 0.000 0.851 307 R HN 0.171 nan 8.270 nan 0.000 0.432 308 Y N 0.346 120.559 120.300 -0.144 0.000 2.145 308 Y HA -0.125 4.425 4.550 0.000 0.000 0.286 308 Y C 2.479 178.260 175.900 -0.199 0.000 1.145 308 Y CA 1.067 59.079 58.100 -0.148 0.000 1.148 308 Y CB -0.968 37.419 38.460 -0.122 0.000 0.981 308 Y HN 0.214 nan 8.280 nan 0.000 0.507 309 A N 0.052 122.748 122.820 -0.207 0.000 1.865 309 A HA -0.289 4.031 4.320 0.000 0.000 0.217 309 A C 2.246 179.771 177.584 -0.098 0.000 1.191 309 A CA 2.069 53.961 52.037 -0.243 0.000 0.623 309 A CB -0.893 17.774 19.000 -0.556 0.000 0.826 309 A HN 0.544 nan 8.150 nan 0.000 0.444 310 E N 0.216 120.353 120.200 -0.105 0.000 2.150 310 E HA -0.160 4.190 4.350 0.000 0.000 0.193 310 E C 2.107 178.715 176.600 0.013 0.000 0.985 310 E CA 1.401 57.781 56.400 -0.034 0.000 0.814 310 E CB -0.111 29.563 29.700 -0.043 0.000 0.752 310 E HN 0.755 nan 8.360 nan 0.000 0.466 311 S N 0.161 115.869 115.700 0.013 0.000 2.402 311 S HA -0.094 4.376 4.470 0.000 0.000 0.229 311 S C 1.991 176.639 174.600 0.080 0.000 1.021 311 S CA 0.701 58.931 58.200 0.049 0.000 0.974 311 S CB -0.339 62.891 63.200 0.049 0.000 0.800 311 S HN 0.300 nan 8.310 nan 0.000 0.484 312 I N 1.446 122.057 120.570 0.069 0.000 2.333 312 I HA -0.066 4.104 4.170 0.000 0.000 0.246 312 I C 2.475 178.682 176.117 0.150 0.000 1.106 312 I CA 1.035 62.401 61.300 0.111 0.000 1.411 312 I CB -0.216 37.835 38.000 0.085 0.000 1.082 312 I HN 0.255 nan 8.210 nan 0.000 0.420 313 K N 0.713 121.186 120.400 0.121 0.000 2.283 313 K HA -0.083 4.237 4.320 0.000 0.000 0.202 313 K C 0.795 177.503 176.600 0.180 0.000 1.048 313 K CA 0.876 57.247 56.287 0.140 0.000 0.948 313 K CB -0.064 32.498 32.500 0.102 0.000 0.742 313 K HN 0.260 nan 8.250 nan 0.000 0.458 314 N N 0.719 119.526 118.700 0.179 0.000 2.275 314 N HA 0.085 4.825 4.740 0.000 0.000 0.236 314 N C -0.882 174.866 175.510 0.397 0.000 1.154 314 N CA 0.096 53.277 53.050 0.218 0.000 0.866 314 N CB 0.510 39.067 38.487 0.117 0.000 1.093 314 N HN 0.075 nan 8.380 nan 0.000 0.515 315 N N 0.387 119.317 118.700 0.383 0.000 2.264 315 N HA 0.211 4.951 4.740 0.000 0.000 0.288 315 N C -0.362 175.144 175.510 -0.006 0.000 1.094 315 N CA -0.458 52.768 53.050 0.294 0.000 0.817 315 N CB 2.084 40.668 38.487 0.162 0.000 1.604 315 N HN -0.118 nan 8.380 nan 0.000 0.473 316 K N 0.751 120.836 120.400 -0.525 0.000 2.494 316 K HA 0.136 4.456 4.320 0.000 0.000 0.273 316 K C 0.240 176.618 176.600 -0.370 0.000 0.970 316 K CA 0.069 55.954 56.287 -0.670 0.000 0.963 316 K CB 0.596 32.581 32.500 -0.858 0.000 0.913 316 K HN 0.384 nan 8.250 nan 0.000 0.502 317 I N 4.115 124.366 120.570 -0.532 0.000 2.352 317 I HA 0.048 4.218 4.170 0.000 0.000 0.290 317 I C -1.546 174.327 176.117 -0.407 0.000 1.036 317 I CA -2.460 58.526 61.300 -0.522 0.000 1.336 317 I CB 0.537 38.059 38.000 -0.796 0.000 1.407 317 I HN 0.355 nan 8.210 nan 0.000 0.497 318 P HA -0.164 nan 4.420 nan 0.000 0.216 318 P C 0.122 177.387 177.300 -0.059 0.000 1.167 318 P CA 1.723 64.767 63.100 -0.093 0.000 0.914 318 P CB 0.293 32.005 31.700 0.020 0.000 0.793 319 D N -2.742 117.569 120.400 -0.148 0.000 2.963 319 D HA 0.095 4.735 4.640 0.000 0.000 0.361 319 D C 0.759 176.929 176.300 -0.216 0.000 1.317 319 D CA 0.237 54.155 54.000 -0.136 0.000 0.832 319 D CB -0.163 40.571 40.800 -0.110 0.000 1.135 319 D HN 0.173 nan 8.370 nan 0.000 0.476 320 T N -3.468 111.005 114.554 -0.134 0.000 3.051 320 T HA -0.061 4.289 4.350 0.000 0.000 0.255 320 T C 1.227 175.997 174.700 0.116 0.000 1.085 320 T CA 0.117 62.197 62.100 -0.033 0.000 1.109 320 T CB -0.179 68.671 68.868 -0.030 0.000 0.921 320 T HN 0.349 nan 8.240 nan 0.000 0.488 321 H N 1.382 120.513 119.070 0.103 0.000 2.852 321 H HA 0.376 4.932 4.556 0.000 0.000 0.362 321 H C -0.304 175.162 175.328 0.230 0.000 1.122 321 H CA -0.238 55.897 56.048 0.144 0.000 1.419 321 H CB 0.070 29.901 29.762 0.114 0.000 1.401 321 H HN 0.584 nan 8.280 nan 0.000 0.609 322 Y N -0.532 119.812 120.300 0.073 0.000 2.774 322 Y HA 0.513 5.063 4.550 0.000 0.000 0.346 322 Y C -1.822 174.063 175.900 -0.025 0.000 1.222 322 Y CA -1.463 56.618 58.100 -0.031 0.000 1.088 322 Y CB 1.062 39.450 38.460 -0.119 0.000 1.354 322 Y HN 0.885 nan 8.280 nan 0.000 0.455 323 R N 2.913 123.377 120.500 -0.060 0.000 2.673 323 R HA 0.860 5.200 4.340 0.000 0.000 0.281 323 R C -1.437 174.715 176.300 -0.247 0.000 0.991 323 R CA -1.102 54.784 56.100 -0.357 0.000 0.896 323 R CB 2.664 32.778 30.300 -0.309 0.000 1.201 323 R HN 0.937 nan 8.270 nan 0.000 0.457 324 M N 0.642 119.975 119.600 -0.445 0.000 2.378 324 M HA 0.488 4.968 4.480 0.000 0.000 0.289 324 M C -1.512 174.520 176.300 -0.446 0.000 1.136 324 M CA -0.884 54.238 55.300 -0.297 0.000 0.917 324 M CB 2.706 35.279 32.600 -0.045 0.000 1.669 324 M HN 0.590 nan 8.290 nan 0.000 0.461 325 H N 2.310 121.350 119.070 -0.050 0.000 2.685 325 H HA 0.520 5.076 4.556 0.000 0.000 0.307 325 H C -0.770 174.550 175.328 -0.013 0.000 1.017 325 H CA -0.546 55.494 56.048 -0.013 0.000 1.237 325 H CB 1.302 31.074 29.762 0.017 0.000 1.409 325 H HN 0.905 nan 8.280 nan 0.000 0.488 326 S N 3.961 119.701 115.700 0.068 0.000 2.664 326 S HA 0.837 5.307 4.470 0.000 0.000 0.304 326 S C 0.021 174.653 174.600 0.054 0.000 1.099 326 S CA -1.152 57.069 58.200 0.035 0.000 1.003 326 S CB 2.549 65.742 63.200 -0.011 0.000 1.092 326 S HN 0.826 nan 8.310 nan 0.000 0.525 327 R N -0.048 120.475 120.500 0.038 0.000 2.633 327 R HA 0.587 4.927 4.340 0.000 0.000 0.256 327 R C -2.315 174.022 176.300 0.061 0.000 1.131 327 R CA -0.865 55.270 56.100 0.059 0.000 0.994 327 R CB 0.463 30.816 30.300 0.088 0.000 1.261 327 R HN 0.523 nan 8.270 nan 0.000 0.446 328 L N 2.071 123.329 121.223 0.059 0.000 2.334 328 L HA 0.923 5.263 4.340 0.000 0.000 0.273 328 L C -1.118 175.809 176.870 0.095 0.000 1.013 328 L CA -0.457 54.419 54.840 0.059 0.000 0.816 328 L CB 2.027 44.104 42.059 0.030 0.000 1.278 328 L HN 0.980 nan 8.230 nan 0.000 0.431 329 A N 4.286 127.185 122.820 0.132 0.000 2.459 329 A HA 0.793 5.113 4.320 0.000 0.000 0.296 329 A C -1.281 176.364 177.584 0.101 0.000 1.039 329 A CA -0.694 51.411 52.037 0.113 0.000 0.698 329 A CB 1.118 20.198 19.000 0.133 0.000 1.261 329 A HN 0.633 nan 8.150 nan 0.000 0.405 330 K N 1.172 121.599 120.400 0.045 0.000 2.482 330 K HA 0.649 4.969 4.320 0.000 0.000 0.251 330 K C -1.549 175.017 176.600 -0.056 0.000 0.936 330 K CA -0.692 55.605 56.287 0.017 0.000 0.791 330 K CB 2.831 35.335 32.500 0.007 0.000 1.213 330 K HN 0.369 nan 8.250 nan 0.000 0.428 331 V N 1.765 121.615 119.914 -0.106 0.000 2.443 331 V HA 0.573 4.693 4.120 0.000 0.000 0.293 331 V C -0.021 175.759 176.094 -0.524 0.000 1.021 331 V CA -0.767 61.336 62.300 -0.329 0.000 0.848 331 V CB 1.736 33.346 31.823 -0.356 0.000 0.998 331 V HN 0.936 nan 8.190 nan 0.000 0.424 332 G N 3.578 112.036 108.800 -0.570 0.000 2.453 332 G HA2 0.689 4.649 3.960 0.000 0.000 0.323 332 G HA3 0.689 4.649 3.960 0.000 0.000 0.323 332 G C -1.494 173.084 174.900 -0.537 0.000 1.198 332 G CA -0.481 44.381 45.100 -0.395 0.000 0.959 332 G HN 0.535 nan 8.290 nan 0.000 0.482 333 W N 1.435 122.765 121.300 0.050 0.000 2.619 333 W HA 0.297 4.957 4.660 0.000 0.000 0.327 333 W C -0.813 175.729 176.519 0.037 0.000 1.027 333 W CA -1.046 56.331 57.345 0.053 0.000 1.233 333 W CB 1.991 31.500 29.460 0.081 0.000 1.370 333 W HN 0.330 nan 8.180 nan 0.000 0.453 334 N N 3.457 122.271 118.700 0.191 0.000 2.419 334 N HA 0.402 5.142 4.740 0.000 0.000 0.264 334 N C -0.476 175.118 175.510 0.139 0.000 1.031 334 N CA -0.279 52.843 53.050 0.120 0.000 0.951 334 N CB 1.581 40.103 38.487 0.058 0.000 1.101 334 N HN 0.108 nan 8.380 nan 0.000 0.488 335 L N 2.985 124.281 121.223 0.122 0.000 2.304 335 L HA 0.623 4.963 4.340 0.000 0.000 0.268 335 L C -1.802 175.109 176.870 0.068 0.000 1.010 335 L CA -1.969 52.935 54.840 0.107 0.000 0.813 335 L CB 0.406 42.543 42.059 0.129 0.000 1.315 335 L HN 0.351 nan 8.230 nan 0.000 0.445 336 P HA 0.195 nan 4.420 nan 0.000 0.271 336 P C 0.107 177.425 177.300 0.030 0.000 1.233 336 P CA 0.898 64.022 63.100 0.040 0.000 0.795 336 P CB 0.275 31.999 31.700 0.040 0.000 0.936 337 A N 0.779 123.608 122.820 0.015 0.000 5.150 337 A HA -0.293 4.027 4.320 0.000 0.000 0.324 337 A C 0.909 178.483 177.584 -0.016 0.000 1.862 337 A CA 1.841 53.876 52.037 -0.002 0.000 0.710 337 A CB -2.090 16.910 19.000 -0.000 0.000 1.367 337 A HN 0.596 nan 8.150 nan 0.000 0.380 338 N N 0.587 119.268 118.700 -0.031 0.000 2.598 338 N HA 0.286 5.026 4.740 0.000 0.000 0.295 338 N C -0.800 174.663 175.510 -0.078 0.000 1.729 338 N CA 0.308 53.328 53.050 -0.051 0.000 0.877 338 N CB 0.325 38.771 38.487 -0.069 0.000 1.405 338 N HN 0.615 nan 8.380 nan 0.000 0.491 339 Q N 0.370 120.142 119.800 -0.047 0.000 2.259 339 Q HA 0.434 4.774 4.340 0.000 0.000 0.246 339 Q C -0.402 175.572 176.000 -0.043 0.000 0.920 339 Q CA -0.372 55.384 55.803 -0.078 0.000 0.895 339 Q CB 1.876 30.654 28.738 0.066 0.000 1.220 339 Q HN -0.015 nan 8.270 nan 0.000 0.439 340 R N 2.306 122.742 120.500 -0.108 0.000 2.510 340 R HA 0.354 4.694 4.340 0.000 0.000 0.287 340 R C -1.921 174.417 176.300 0.063 0.000 1.084 340 R CA -0.530 55.565 56.100 -0.009 0.000 0.934 340 R CB 1.067 31.321 30.300 -0.078 0.000 1.201 340 R HN 0.556 nan 8.270 nan 0.000 0.431 341 L N 3.623 125.002 121.223 0.259 0.000 2.296 341 L HA 0.522 4.862 4.340 0.000 0.000 0.286 341 L C 0.030 177.125 176.870 0.376 0.000 1.023 341 L CA -0.343 54.701 54.840 0.339 0.000 0.812 341 L CB 1.606 43.967 42.059 0.504 0.000 1.223 341 L HN 0.585 nan 8.230 nan 0.000 0.421 342 Q N 3.363 123.264 119.800 0.169 0.000 2.337 342 Q HA 0.588 4.928 4.340 0.000 0.000 0.270 342 Q C -1.658 174.478 176.000 0.227 0.000 1.043 342 Q CA -0.626 55.265 55.803 0.146 0.000 0.794 342 Q CB 2.447 31.197 28.738 0.019 0.000 1.281 342 Q HN 0.569 nan 8.270 nan 0.000 0.446 343 L N 3.021 124.410 121.223 0.276 0.000 2.287 343 L HA 0.528 4.868 4.340 0.000 0.000 0.287 343 L C -0.363 176.619 176.870 0.186 0.000 1.022 343 L CA -0.584 54.436 54.840 0.300 0.000 0.814 343 L CB 1.680 43.960 42.059 0.370 0.000 1.217 343 L HN 0.664 nan 8.230 nan 0.000 0.420 344 S N 2.521 118.337 115.700 0.193 0.000 2.532 344 S HA 0.682 5.152 4.470 0.000 0.000 0.301 344 S C -1.163 173.582 174.600 0.242 0.000 1.083 344 S CA -0.701 57.596 58.200 0.162 0.000 1.025 344 S CB 2.043 65.297 63.200 0.091 0.000 1.056 344 S HN 0.504 nan 8.310 nan 0.000 0.494 345 Y N 2.198 122.539 120.300 0.069 0.000 2.362 345 Y HA 0.631 5.181 4.550 0.000 0.000 0.326 345 Y C -2.037 173.889 175.900 0.045 0.000 1.083 345 Y CA -1.053 57.089 58.100 0.070 0.000 1.073 345 Y CB 1.409 39.916 38.460 0.077 0.000 1.211 345 Y HN 0.875 nan 8.280 nan 0.000 0.433 346 L N 6.653 127.585 121.223 -0.484 0.000 2.349 346 L HA 0.564 4.904 4.340 0.000 0.000 0.278 346 L C -1.324 175.210 176.870 -0.560 0.000 0.996 346 L CA -0.357 54.266 54.840 -0.363 0.000 0.825 346 L CB 1.808 43.752 42.059 -0.192 0.000 1.243 346 L HN 0.776 nan 8.230 nan 0.000 0.412 347 Q N 3.031 122.599 119.800 -0.387 0.000 2.333 347 Q HA 0.644 4.984 4.340 0.000 0.000 0.267 347 Q C -1.396 174.538 176.000 -0.110 0.000 1.012 347 Q CA -0.459 55.193 55.803 -0.251 0.000 0.824 347 Q CB 1.774 30.473 28.738 -0.064 0.000 1.290 347 Q HN 0.711 nan 8.270 nan 0.000 0.449 348 T N 3.008 117.495 114.554 -0.111 0.000 3.050 348 T HA 0.218 4.568 4.350 0.000 0.000 0.310 348 T C -1.624 173.015 174.700 -0.102 0.000 0.978 348 T CA -0.483 61.570 62.100 -0.078 0.000 1.013 348 T CB 1.391 70.210 68.868 -0.082 0.000 1.000 348 T HN 0.713 nan 8.240 nan 0.000 0.447 349 Q N 3.755 123.528 119.800 -0.045 0.000 2.314 349 Q HA 0.576 4.916 4.340 0.000 0.000 0.259 349 Q C -1.013 174.954 176.000 -0.055 0.000 0.951 349 Q CA -0.448 55.320 55.803 -0.058 0.000 0.909 349 Q CB 1.115 29.872 28.738 0.032 0.000 1.236 349 Q HN 0.672 nan 8.270 nan 0.000 0.444 350 T N 2.105 116.546 114.554 -0.187 0.000 2.856 350 T HA 0.789 5.139 4.350 0.000 0.000 0.283 350 T C -1.308 173.310 174.700 -0.137 0.000 1.008 350 T CA -0.579 61.429 62.100 -0.154 0.000 0.997 350 T CB 1.614 70.336 68.868 -0.242 0.000 0.992 350 T HN 0.643 nan 8.240 nan 0.000 0.454 351 A N 1.951 124.750 122.820 -0.035 0.000 2.381 351 A HA 0.855 5.175 4.320 0.000 0.000 0.299 351 A C -0.428 177.077 177.584 -0.132 0.000 1.049 351 A CA -0.752 51.252 52.037 -0.056 0.000 0.715 351 A CB 1.651 20.727 19.000 0.127 0.000 1.222 351 A HN 0.771 nan 8.150 nan 0.000 0.428 352 S N 2.366 117.794 115.700 -0.454 0.000 2.547 352 S HA 0.802 5.272 4.470 0.000 0.000 0.270 352 S C -3.327 170.683 174.600 -0.984 0.000 1.150 352 S CA -1.112 56.767 58.200 -0.535 0.000 0.850 352 S CB 1.800 64.835 63.200 -0.276 0.000 1.118 352 S HN 0.332 nan 8.310 nan 0.000 0.461 353 P HA 0.328 nan 4.420 nan 0.000 0.268 353 P C -0.900 176.272 177.300 -0.214 0.000 1.205 353 P CA -0.072 62.838 63.100 -0.317 0.000 0.771 353 P CB 0.163 31.851 31.700 -0.019 0.000 0.858 354 I N 1.678 122.200 120.570 -0.080 0.000 2.353 354 I HA 0.500 4.670 4.170 0.000 0.000 0.293 354 I C 0.639 176.767 176.117 0.019 0.000 0.992 354 I CA -0.611 60.661 61.300 -0.047 0.000 1.268 354 I CB 1.245 39.229 38.000 -0.027 0.000 1.387 354 I HN 0.296 nan 8.210 nan 0.000 0.478 355 A N 4.560 127.377 122.820 -0.006 0.000 2.299 355 A HA 0.854 5.174 4.320 0.000 0.000 0.332 355 A C 0.260 177.891 177.584 0.078 0.000 1.131 355 A CA -0.377 51.682 52.037 0.037 0.000 0.844 355 A CB 1.064 20.042 19.000 -0.037 0.000 1.251 355 A HN 0.788 nan 8.150 nan 0.000 0.486 356 G N -0.606 108.274 108.800 0.134 0.000 2.525 356 G HA2 0.498 4.458 3.960 0.000 0.000 0.287 356 G HA3 0.498 4.458 3.960 0.000 0.000 0.287 356 G C 0.413 175.405 174.900 0.153 0.000 1.350 356 G CA 0.329 45.496 45.100 0.111 0.000 1.039 356 G HN 1.201 nan 8.290 nan 0.000 0.513 357 T N -1.977 112.586 114.554 0.014 0.000 2.813 357 T HA 0.289 4.639 4.350 0.000 0.000 0.297 357 T C 0.351 175.026 174.700 -0.042 0.000 1.036 357 T CA -0.621 61.467 62.100 -0.020 0.000 1.044 357 T CB 1.022 69.792 68.868 -0.163 0.000 0.993 357 T HN 0.417 nan 8.240 nan 0.000 0.535 358 L N 2.236 123.382 121.223 -0.129 0.000 2.565 358 L HA 0.418 4.758 4.340 0.000 0.000 0.275 358 L C 0.399 177.012 176.870 -0.427 0.000 1.137 358 L CA 0.972 55.477 54.840 -0.559 0.000 0.915 358 L CB -0.696 41.112 42.059 -0.418 0.000 1.232 358 L HN 1.063 nan 8.230 nan 0.000 0.473 359 T N 2.934 117.221 114.554 -0.444 0.000 2.838 359 T HA 0.495 4.845 4.350 0.000 0.000 0.292 359 T C -0.743 173.748 174.700 -0.349 0.000 1.113 359 T CA -0.896 61.001 62.100 -0.338 0.000 1.008 359 T CB 0.881 69.613 68.868 -0.227 0.000 1.259 359 T HN 0.664 nan 8.240 nan 0.000 0.520 360 N N 2.272 120.778 118.700 -0.323 0.000 2.513 360 N HA 0.175 4.915 4.740 0.000 0.000 0.268 360 N C 0.320 175.766 175.510 -0.105 0.000 1.180 360 N CA -0.291 52.604 53.050 -0.259 0.000 0.948 360 N CB 0.062 38.288 38.487 -0.435 0.000 1.083 360 N HN 0.581 nan 8.380 nan 0.000 0.455 361 L N 0.159 121.371 121.223 -0.017 0.000 2.783 361 L HA 0.402 4.742 4.340 0.000 0.000 0.236 361 L C 1.016 177.936 176.870 0.084 0.000 1.225 361 L CA -0.415 54.436 54.840 0.019 0.000 1.026 361 L CB -0.510 41.553 42.059 0.006 0.000 1.314 361 L HN 0.772 nan 8.230 nan 0.000 0.489 362 G N -1.113 107.797 108.800 0.182 0.000 3.135 362 G HA2 0.476 4.436 3.960 0.000 0.000 0.278 362 G HA3 0.476 4.436 3.960 0.000 0.000 0.278 362 G C 0.054 175.107 174.900 0.255 0.000 1.302 362 G CA 0.072 45.286 45.100 0.191 0.000 0.880 362 G HN -0.085 nan 8.290 nan 0.000 0.574 363 T N -0.499 114.159 114.554 0.173 0.000 2.993 363 T HA 0.221 4.571 4.350 0.000 0.000 0.260 363 T C 0.051 174.807 174.700 0.094 0.000 0.939 363 T CA 0.109 62.327 62.100 0.197 0.000 0.886 363 T CB 0.463 69.385 68.868 0.089 0.000 1.209 363 T HN 0.662 nan 8.240 nan 0.000 0.518 364 R N 1.203 121.580 120.500 -0.205 0.000 2.604 364 R HA 0.680 5.020 4.340 0.000 0.000 0.281 364 R C -3.601 172.295 176.300 -0.673 0.000 1.020 364 R CA -2.531 53.348 56.100 -0.368 0.000 0.899 364 R CB -0.783 29.422 30.300 -0.157 0.000 1.205 364 R HN -0.169 nan 8.270 nan 0.000 0.450 365 P HA 0.191 nan 4.420 nan 0.000 0.267 365 P C -2.195 174.947 177.300 -0.265 0.000 1.200 365 P CA -0.775 62.001 63.100 -0.539 0.000 0.772 365 P CB -0.127 31.424 31.700 -0.249 0.000 0.855 366 P HA 0.197 nan 4.420 nan 0.000 0.281 366 P C -0.526 176.709 177.300 -0.109 0.000 1.252 366 P CA -0.039 62.987 63.100 -0.123 0.000 0.778 366 P CB 0.266 31.925 31.700 -0.068 0.000 0.895 367 Y N 0.873 121.243 120.300 0.116 0.000 2.433 367 Y HA 0.412 4.962 4.550 0.000 0.000 0.411 367 Y C 1.016 177.023 175.900 0.178 0.000 1.383 367 Y CA 0.259 58.435 58.100 0.127 0.000 1.896 367 Y CB 0.408 38.941 38.460 0.121 0.000 1.750 367 Y HN 0.296 nan 8.280 nan 0.000 0.627 368 E N 0.096 120.511 120.200 0.357 0.000 2.454 368 E HA 0.298 4.648 4.350 0.000 0.000 0.315 368 E C -2.186 174.445 176.600 0.052 0.000 0.907 368 E CA -0.343 56.198 56.400 0.234 0.000 0.797 368 E CB 0.277 30.053 29.700 0.126 0.000 1.396 368 E HN 0.362 nan 8.360 nan 0.000 0.389 369 L N 3.052 124.257 121.223 -0.030 0.000 2.456 369 L HA 0.777 5.117 4.340 0.000 0.000 0.272 369 L C 1.134 177.808 176.870 -0.326 0.000 1.189 369 L CA 1.490 56.149 54.840 -0.302 0.000 0.846 369 L CB 1.018 42.819 42.059 -0.430 0.000 1.111 369 L HN 0.735 nan 8.230 nan 0.000 0.475 370 G N 1.405 109.882 108.800 -0.539 0.000 2.348 370 G HA2 0.289 4.249 3.960 0.000 0.000 0.296 370 G HA3 0.289 4.249 3.960 0.000 0.000 0.296 370 G C -2.134 172.351 174.900 -0.692 0.000 1.258 370 G CA -0.680 44.082 45.100 -0.563 0.000 0.868 370 G HN 0.373 nan 8.290 nan 0.000 0.488 371 W N 0.517 121.787 121.300 -0.051 0.000 2.950 371 W HA 0.622 5.282 4.660 0.000 0.000 0.340 371 W C -0.504 175.997 176.519 -0.030 0.000 1.139 371 W CA -0.676 56.638 57.345 -0.052 0.000 1.188 371 W CB 2.452 31.875 29.460 -0.061 0.000 1.426 371 W HN 0.373 nan 8.180 nan 0.000 0.531 372 K N 1.263 121.784 120.400 0.201 0.000 2.259 372 K HA 0.454 4.774 4.320 0.000 0.000 0.249 372 K C -0.244 176.440 176.600 0.140 0.000 0.942 372 K CA -1.184 55.179 56.287 0.128 0.000 0.816 372 K CB 2.804 35.349 32.500 0.075 0.000 1.155 372 K HN 0.262 nan 8.250 nan 0.000 0.428 373 R N 1.721 122.298 120.500 0.129 0.000 2.220 373 R HA 0.031 4.371 4.340 0.000 0.000 0.340 373 R C 0.622 177.068 176.300 0.244 0.000 1.076 373 R CA 0.094 56.297 56.100 0.173 0.000 0.920 373 R CB 0.299 30.702 30.300 0.172 0.000 1.062 373 R HN 0.854 nan 8.270 nan 0.000 0.469 374 T N 0.283 114.966 114.554 0.215 0.000 3.067 374 T HA 0.287 4.637 4.350 0.000 0.000 0.257 374 T C 0.811 175.603 174.700 0.154 0.000 1.105 374 T CA 0.483 62.699 62.100 0.193 0.000 1.104 374 T CB 0.491 69.424 68.868 0.110 0.000 0.925 374 T HN 0.616 nan 8.240 nan 0.000 0.498 375 G N -0.574 108.296 108.800 0.116 0.000 2.435 375 G HA2 0.466 4.426 3.960 0.000 0.000 0.296 375 G HA3 0.466 4.426 3.960 0.000 0.000 0.296 375 G C -2.335 172.536 174.900 -0.047 0.000 1.240 375 G CA -0.861 44.034 45.100 -0.342 0.000 0.872 375 G HN 0.285 nan 8.290 nan 0.000 0.480 376 Y N -0.307 119.823 120.300 -0.285 0.000 2.480 376 Y HA 0.610 5.160 4.550 0.000 0.000 0.329 376 Y C -0.727 175.111 175.900 -0.104 0.000 1.127 376 Y CA -0.440 57.597 58.100 -0.105 0.000 1.037 376 Y CB 2.329 40.774 38.460 -0.025 0.000 1.320 376 Y HN 0.665 nan 8.280 nan 0.000 0.446 377 T N 4.359 118.746 114.554 -0.278 0.000 2.856 377 T HA 0.354 4.704 4.350 0.000 0.000 0.283 377 T C -1.869 172.749 174.700 -0.137 0.000 1.008 377 T CA -0.513 61.494 62.100 -0.155 0.000 0.997 377 T CB 1.165 69.935 68.868 -0.164 0.000 0.992 377 T HN 0.500 nan 8.240 nan 0.000 0.454 378 D N 2.269 122.632 120.400 -0.061 0.000 2.479 378 D HA 0.411 5.051 4.640 0.000 0.000 0.246 378 D C -1.179 175.031 176.300 -0.150 0.000 1.336 378 D CA -0.311 53.654 54.000 -0.060 0.000 0.967 378 D CB 1.161 41.998 40.800 0.062 0.000 1.275 378 D HN 0.213 nan 8.370 nan 0.000 0.577 379 V N 4.046 123.784 119.914 -0.294 0.000 2.513 379 V HA 0.542 4.662 4.120 0.000 0.000 0.299 379 V C 0.111 175.985 176.094 -0.365 0.000 1.035 379 V CA -0.676 61.359 62.300 -0.442 0.000 0.889 379 V CB 1.751 33.027 31.823 -0.912 0.000 0.988 379 V HN 0.543 nan 8.190 nan 0.000 0.440 380 M N 4.014 123.439 119.600 -0.291 0.000 2.078 380 M HA 0.573 5.053 4.480 0.000 0.000 0.320 380 M C -0.243 175.920 176.300 -0.230 0.000 0.969 380 M CA -0.383 54.795 55.300 -0.202 0.000 0.929 380 M CB 1.409 33.946 32.600 -0.106 0.000 1.504 380 M HN 0.757 nan 8.290 nan 0.000 0.419 381 A N 5.474 128.159 122.820 -0.224 0.000 2.277 381 A HA 0.696 5.016 4.320 0.000 0.000 0.318 381 A C -0.271 177.205 177.584 -0.181 0.000 1.339 381 A CA -0.659 51.252 52.037 -0.210 0.000 0.875 381 A CB 0.606 19.484 19.000 -0.203 0.000 1.158 381 A HN 0.821 nan 8.150 nan 0.000 0.514 382 R N 2.173 122.577 120.500 -0.160 0.000 2.393 382 R HA 0.488 4.829 4.340 0.000 0.000 0.310 382 R C -1.239 174.943 176.300 -0.196 0.000 0.968 382 R CA -0.558 55.437 56.100 -0.176 0.000 0.867 382 R CB 1.433 31.744 30.300 0.018 0.000 1.124 382 R HN 0.758 nan 8.270 nan 0.000 0.450 383 N N 0.620 119.141 118.700 -0.298 0.000 2.249 383 N HA 0.575 5.315 4.740 0.000 0.000 0.296 383 N C -1.647 173.838 175.510 -0.042 0.000 1.051 383 N CA -0.677 52.287 53.050 -0.144 0.000 0.815 383 N CB 2.421 40.823 38.487 -0.142 0.000 1.487 383 N HN 0.633 nan 8.380 nan 0.000 0.475 384 A N 0.709 123.639 122.820 0.183 0.000 2.381 384 A HA 0.921 5.241 4.320 0.000 0.000 0.299 384 A C -1.281 176.495 177.584 0.320 0.000 1.049 384 A CA -0.604 51.630 52.037 0.329 0.000 0.715 384 A CB 0.964 20.231 19.000 0.446 0.000 1.222 384 A HN 0.741 nan 8.150 nan 0.000 0.428 385 A N 1.336 124.334 122.820 0.298 0.000 2.515 385 A HA 0.809 5.129 4.320 0.000 0.000 0.298 385 A C -1.544 176.250 177.584 0.351 0.000 1.059 385 A CA -0.442 51.781 52.037 0.310 0.000 0.698 385 A CB 1.140 20.267 19.000 0.212 0.000 1.289 385 A HN 1.800 nan 8.150 nan 0.000 0.404 386 F N 2.168 122.240 119.950 0.203 0.000 2.500 386 F HA 0.598 5.125 4.527 0.000 0.000 0.349 386 F C -1.357 174.556 175.800 0.189 0.000 1.127 386 F CA -0.757 57.359 58.000 0.193 0.000 0.998 386 F CB 1.263 40.370 39.000 0.178 0.000 1.237 386 F HN 0.481 nan 8.300 nan 0.000 0.439 387 D N 4.992 125.181 120.400 -0.352 0.000 2.163 387 D HA 0.263 4.903 4.640 0.000 0.000 0.248 387 D C -1.599 174.433 176.300 -0.447 0.000 1.035 387 D CA 0.175 53.982 54.000 -0.320 0.000 0.872 387 D CB 1.704 42.420 40.800 -0.140 0.000 1.183 387 D HN 0.583 nan 8.370 nan 0.000 0.445 388 Y N 0.651 120.713 120.300 -0.397 0.000 2.421 388 Y HA 0.419 4.969 4.550 0.000 0.000 0.339 388 Y C -0.929 174.895 175.900 -0.128 0.000 0.996 388 Y CA -0.714 57.244 58.100 -0.236 0.000 1.046 388 Y CB 1.371 39.747 38.460 -0.140 0.000 1.226 388 Y HN 0.379 nan 8.280 nan 0.000 0.445 389 S N 5.734 120.997 115.700 -0.729 0.000 2.607 389 S HA 0.821 5.291 4.470 0.000 0.000 0.303 389 S C -1.701 172.469 174.600 -0.718 0.000 1.086 389 S CA -0.814 57.043 58.200 -0.572 0.000 0.995 389 S CB 2.173 65.180 63.200 -0.322 0.000 1.084 389 S HN 0.899 nan 8.310 nan 0.000 0.507 390 L N 1.260 122.295 121.223 -0.312 0.000 2.595 390 L HA 0.716 5.056 4.340 0.000 0.000 0.259 390 L C -0.717 176.102 176.870 -0.085 0.000 1.033 390 L CA -0.013 54.735 54.840 -0.153 0.000 0.901 390 L CB 1.142 43.230 42.059 0.049 0.000 1.151 390 L HN 1.045 nan 8.230 nan 0.000 0.453 391 A N 5.178 127.931 122.820 -0.112 0.000 3.258 391 A HA 0.750 5.070 4.320 0.000 0.000 0.318 391 A C -2.636 174.882 177.584 -0.111 0.000 0.990 391 A CA -1.180 50.788 52.037 -0.114 0.000 0.885 391 A CB -0.308 18.628 19.000 -0.107 0.000 1.090 391 A HN 0.487 nan 8.150 nan 0.000 0.479 392 P HA 0.042 nan 4.420 nan 0.000 0.265 392 P C 0.131 177.371 177.300 -0.101 0.000 1.187 392 P CA 0.381 63.420 63.100 -0.101 0.000 0.766 392 P CB 0.487 32.115 31.700 -0.120 0.000 0.820 393 E N 1.954 122.114 120.200 -0.066 0.000 2.383 393 E HA 0.058 4.408 4.350 0.000 0.000 0.264 393 E C -0.340 176.232 176.600 -0.046 0.000 1.050 393 E CA -0.446 55.923 56.400 -0.051 0.000 0.896 393 E CB 0.020 29.701 29.700 -0.032 0.000 0.982 393 E HN 0.316 nan 8.360 nan 0.000 0.424 394 D N 0.216 120.596 120.400 -0.033 0.000 2.911 394 D HA -0.141 4.499 4.640 0.000 0.000 0.199 394 D C -0.682 175.608 176.300 -0.017 0.000 1.041 394 D CA 1.204 55.200 54.000 -0.008 0.000 1.013 394 D CB -1.274 39.530 40.800 0.006 0.000 1.093 394 D HN 0.305 nan 8.370 nan 0.000 0.431 395 V N 1.567 121.422 119.914 -0.098 0.000 2.257 395 V HA 0.226 4.346 4.120 0.000 0.000 0.269 395 V C 0.832 176.768 176.094 -0.265 0.000 1.040 395 V CA -0.502 61.654 62.300 -0.240 0.000 0.813 395 V CB 1.536 33.073 31.823 -0.477 0.000 1.065 395 V HN -0.121 nan 8.190 nan 0.000 0.457 396 D N 3.065 123.431 120.400 -0.056 0.000 2.234 396 D HA -0.089 4.551 4.640 0.000 0.000 0.205 396 D C 1.827 178.199 176.300 0.119 0.000 0.962 396 D CA 0.935 54.967 54.000 0.055 0.000 0.855 396 D CB 0.178 41.077 40.800 0.164 0.000 0.951 396 D HN 0.853 nan 8.370 nan 0.000 0.500 397 W N 0.475 121.852 121.300 0.129 0.000 3.180 397 W HA 0.252 4.912 4.660 0.000 0.000 0.254 397 W C -0.288 176.312 176.519 0.136 0.000 1.318 397 W CA -0.398 57.038 57.345 0.153 0.000 1.608 397 W CB -0.278 29.251 29.460 0.116 0.000 1.124 397 W HN -0.145 nan 8.180 nan 0.000 0.694 398 L N 3.085 124.052 121.223 -0.426 0.000 2.345 398 L HA 0.392 4.732 4.340 0.000 0.000 0.274 398 L C -1.429 175.328 176.870 -0.187 0.000 0.999 398 L CA -0.104 54.488 54.840 -0.414 0.000 0.849 398 L CB 1.351 42.846 42.059 -0.939 0.000 1.220 398 L HN -0.113 nan 8.230 nan 0.000 0.422 399 D N 4.268 124.643 120.400 -0.043 0.000 2.968 399 D HA 0.122 4.762 4.640 0.000 0.000 0.301 399 D C -1.088 175.225 176.300 0.022 0.000 1.226 399 D CA -0.232 53.748 54.000 -0.034 0.000 0.746 399 D CB 0.090 40.861 40.800 -0.049 0.000 1.278 399 D HN 0.230 nan 8.370 nan 0.000 0.544 400 F N 2.222 122.124 119.950 -0.081 0.000 2.410 400 F HA 0.451 4.978 4.527 0.000 0.000 0.334 400 F C -0.078 175.692 175.800 -0.051 0.000 1.134 400 F CA 0.256 58.236 58.000 -0.033 0.000 1.227 400 F CB 0.707 39.732 39.000 0.042 0.000 1.194 400 F HN 0.209 nan 8.300 nan 0.000 0.571 401 Q N 4.258 123.534 119.800 -0.874 0.000 2.403 401 Q HA 0.744 5.084 4.340 0.000 0.000 0.267 401 Q C -2.263 173.268 176.000 -0.780 0.000 0.991 401 Q CA -1.232 54.169 55.803 -0.669 0.000 0.906 401 Q CB 1.537 30.073 28.738 -0.336 0.000 1.422 401 Q HN 0.900 nan 8.270 nan 0.000 0.400 402 A N 1.819 124.373 122.820 -0.444 0.000 2.539 402 A HA 0.892 5.212 4.320 0.000 0.000 0.296 402 A C -1.625 175.947 177.584 -0.020 0.000 1.073 402 A CA -0.734 51.187 52.037 -0.194 0.000 0.700 402 A CB 2.369 21.360 19.000 -0.015 0.000 1.296 402 A HN 0.710 nan 8.150 nan 0.000 0.405 403 K N 0.709 121.166 120.400 0.094 0.000 2.498 403 K HA 0.729 5.049 4.320 0.000 0.000 0.254 403 K C -2.257 174.528 176.600 0.309 0.000 0.933 403 K CA -0.586 55.801 56.287 0.166 0.000 0.806 403 K CB 1.520 34.106 32.500 0.142 0.000 1.301 403 K HN 0.467 nan 8.250 nan 0.000 0.432 404 L N 4.868 126.319 121.223 0.379 0.000 2.404 404 L HA 0.482 4.822 4.340 0.000 0.000 0.272 404 L C -1.339 175.776 176.870 0.409 0.000 0.980 404 L CA -0.438 54.626 54.840 0.374 0.000 0.836 404 L CB 1.291 43.565 42.059 0.359 0.000 1.238 404 L HN 0.634 nan 8.230 nan 0.000 0.408 405 Y N 1.766 122.211 120.300 0.242 0.000 2.570 405 Y HA 0.778 5.328 4.550 0.000 0.000 0.345 405 Y C -1.484 174.567 175.900 0.251 0.000 1.014 405 Y CA -1.595 56.634 58.100 0.215 0.000 1.063 405 Y CB 1.621 40.159 38.460 0.130 0.000 1.272 405 Y HN 0.496 nan 8.280 nan 0.000 0.477 406 Y N 2.201 122.611 120.300 0.184 0.000 2.354 406 Y HA 0.679 5.229 4.550 0.000 0.000 0.330 406 Y C -2.043 173.886 175.900 0.049 0.000 1.011 406 Y CA -1.068 57.041 58.100 0.016 0.000 1.099 406 Y CB 1.716 40.177 38.460 0.002 0.000 1.179 406 Y HN 0.700 nan 8.280 nan 0.000 0.442 407 V N 5.672 125.273 119.914 -0.522 0.000 2.417 407 V HA 0.313 4.434 4.120 0.000 0.000 0.291 407 V C -1.057 174.590 176.094 -0.745 0.000 1.024 407 V CA -0.579 61.448 62.300 -0.454 0.000 0.861 407 V CB 1.576 33.305 31.823 -0.156 0.000 0.985 407 V HN 0.749 nan 8.190 nan 0.000 0.436 408 D N 3.169 123.225 120.400 -0.574 0.000 2.408 408 D HA 0.257 4.897 4.640 0.000 0.000 0.261 408 D C -0.304 175.882 176.300 -0.189 0.000 1.190 408 D CA -0.120 53.654 54.000 -0.377 0.000 0.910 408 D CB 1.516 42.185 40.800 -0.217 0.000 1.097 408 D HN 0.571 nan 8.370 nan 0.000 0.522 409 T N 2.411 116.871 114.554 -0.155 0.000 2.756 409 T HA 0.406 4.757 4.350 0.000 0.000 0.290 409 T C -0.763 173.809 174.700 -0.213 0.000 0.985 409 T CA -0.608 61.358 62.100 -0.223 0.000 0.955 409 T CB 0.931 69.621 68.868 -0.297 0.000 0.930 409 T HN 0.371 nan 8.240 nan 0.000 0.451 410 Q N 4.027 123.693 119.800 -0.223 0.000 2.330 410 Q HA 0.383 4.723 4.340 0.000 0.000 0.269 410 Q C -1.702 174.198 176.000 -0.166 0.000 1.022 410 Q CA -0.782 54.957 55.803 -0.107 0.000 0.796 410 Q CB 1.568 30.289 28.738 -0.028 0.000 1.271 410 Q HN 0.673 nan 8.270 nan 0.000 0.450 411 D N 3.271 123.641 120.400 -0.051 0.000 2.414 411 D HA 0.232 4.872 4.640 0.000 0.000 0.232 411 D C -1.324 174.994 176.300 0.030 0.000 1.070 411 D CA -0.340 53.638 54.000 -0.037 0.000 0.839 411 D CB 1.209 42.075 40.800 0.111 0.000 1.079 411 D HN 0.389 nan 8.370 nan 0.000 0.521 412 D N 2.322 122.718 120.400 -0.007 0.000 2.485 412 D HA 0.262 4.902 4.640 0.000 0.000 0.221 412 D C -0.617 175.690 176.300 0.012 0.000 1.112 412 D CA -0.195 53.814 54.000 0.015 0.000 0.911 412 D CB 0.919 41.727 40.800 0.013 0.000 1.019 412 D HN 0.034 nan 8.370 nan 0.000 0.516 413 S N 1.518 117.224 115.700 0.010 0.000 2.454 413 S HA 0.390 4.860 4.470 0.000 0.000 0.306 413 S C -0.420 174.132 174.600 -0.081 0.000 1.100 413 S CA -0.932 57.256 58.200 -0.021 0.000 1.087 413 S CB 1.528 64.718 63.200 -0.016 0.000 1.019 413 S HN 0.205 nan 8.310 nan 0.000 0.480 414 D N 1.807 122.122 120.400 -0.143 0.000 2.193 414 D HA 0.477 5.117 4.640 0.000 0.000 0.249 414 D C -0.538 175.471 176.300 -0.485 0.000 1.034 414 D CA -0.074 53.749 54.000 -0.294 0.000 0.902 414 D CB 1.235 41.857 40.800 -0.297 0.000 1.182 414 D HN 0.285 nan 8.370 nan 0.000 0.436 415 T N 1.647 115.822 114.554 -0.631 0.000 2.864 415 T HA 0.267 4.617 4.350 0.000 0.000 0.310 415 T C -0.256 174.171 174.700 -0.454 0.000 1.040 415 T CA -0.514 61.199 62.100 -0.644 0.000 0.977 415 T CB -0.073 68.238 68.868 -0.927 0.000 0.976 415 T HN 0.132 nan 8.240 nan 0.000 0.459 416 Y N 1.884 122.116 120.300 -0.112 0.000 2.457 416 Y HA 0.217 4.767 4.550 0.000 0.000 0.341 416 Y C 1.632 177.529 175.900 -0.006 0.000 1.240 416 Y CA -0.738 57.338 58.100 -0.041 0.000 1.437 416 Y CB 0.469 38.926 38.460 -0.004 0.000 1.328 416 Y HN 0.615 nan 8.280 nan 0.000 0.588 417 S N -0.472 115.347 115.700 0.198 0.000 2.562 417 S HA -0.015 4.455 4.470 0.000 0.000 0.281 417 S C 1.113 175.787 174.600 0.122 0.000 1.333 417 S CA -0.215 58.072 58.200 0.145 0.000 1.052 417 S CB 1.123 64.394 63.200 0.117 0.000 0.884 417 S HN 0.855 nan 8.310 nan 0.000 0.506 418 T N 0.137 114.757 114.554 0.109 0.000 2.821 418 T HA 0.035 4.385 4.350 0.000 0.000 0.267 418 T C 0.916 175.654 174.700 0.062 0.000 1.046 418 T CA 0.789 62.938 62.100 0.082 0.000 1.139 418 T CB -0.761 68.151 68.868 0.074 0.000 0.871 418 T HN 0.968 nan 8.240 nan 0.000 0.454 419 S N 0.554 116.290 115.700 0.061 0.000 2.600 419 S HA 0.592 5.062 4.470 0.000 0.000 0.300 419 S C 1.080 175.707 174.600 0.044 0.000 1.087 419 S CA -0.248 57.980 58.200 0.047 0.000 0.965 419 S CB 2.106 65.333 63.200 0.044 0.000 1.089 419 S HN 0.341 nan 8.310 nan 0.000 0.496 420 S N 1.143 116.862 115.700 0.032 0.000 2.446 420 S HA -0.034 4.436 4.470 0.000 0.000 0.225 420 S C 1.666 176.283 174.600 0.028 0.000 1.016 420 S CA 0.280 58.496 58.200 0.026 0.000 0.943 420 S CB -0.769 62.440 63.200 0.016 0.000 0.786 420 S HN 0.803 nan 8.310 nan 0.000 0.508 421 L N -0.237 121.004 121.223 0.029 0.000 2.627 421 L HA 0.428 4.768 4.340 0.000 0.000 0.233 421 L C 0.448 177.338 176.870 0.033 0.000 1.144 421 L CA 0.272 55.129 54.840 0.028 0.000 0.892 421 L CB -1.606 40.468 42.059 0.025 0.000 1.039 421 L HN 0.271 nan 8.230 nan 0.000 0.442 422 L N 0.364 121.611 121.223 0.040 0.000 2.293 422 L HA 0.579 4.919 4.340 0.000 0.000 0.264 422 L C -0.642 176.260 176.870 0.054 0.000 1.029 422 L CA -0.041 54.827 54.840 0.047 0.000 0.897 422 L CB 1.886 43.977 42.059 0.054 0.000 1.497 422 L HN -0.030 nan 8.230 nan 0.000 0.495 423 D N -0.317 120.120 120.400 0.062 0.000 2.978 423 D HA 0.111 4.751 4.640 0.000 0.000 0.268 423 D C -0.189 176.164 176.300 0.089 0.000 1.252 423 D CA -0.154 53.889 54.000 0.071 0.000 0.771 423 D CB 0.082 40.917 40.800 0.058 0.000 1.361 423 D HN 0.519 nan 8.370 nan 0.000 0.558 424 N N -0.142 118.626 118.700 0.112 0.000 2.234 424 N HA 0.211 4.951 4.740 0.000 0.000 0.227 424 N C 0.775 176.429 175.510 0.241 0.000 1.151 424 N CA -0.409 52.728 53.050 0.145 0.000 0.865 424 N CB 0.387 38.952 38.487 0.130 0.000 1.066 424 N HN 0.189 nan 8.380 nan 0.000 0.515 425 G N 0.408 109.326 108.800 0.196 0.000 2.554 425 G HA2 0.373 4.333 3.960 0.000 0.000 0.238 425 G HA3 0.373 4.333 3.960 0.000 0.000 0.238 425 G C -0.791 174.266 174.900 0.261 0.000 1.259 425 G CA -0.154 45.055 45.100 0.182 0.000 0.843 425 G HN 0.465 nan 8.290 nan 0.000 0.582 426 Y N -2.055 118.263 120.300 0.029 0.000 2.705 426 Y HA 0.746 5.296 4.550 0.000 0.000 0.332 426 Y C -0.380 175.520 175.900 -0.001 0.000 1.221 426 Y CA -1.502 56.609 58.100 0.019 0.000 1.059 426 Y CB 1.237 39.711 38.460 0.022 0.000 1.298 426 Y HN 0.847 nan 8.280 nan 0.000 0.459 427 A N 1.269 124.154 122.820 0.109 0.000 2.353 427 A HA 0.641 4.961 4.320 0.000 0.000 0.299 427 A C -1.100 176.555 177.584 0.118 0.000 1.089 427 A CA -0.495 51.550 52.037 0.014 0.000 0.736 427 A CB 1.395 20.399 19.000 0.007 0.000 1.195 427 A HN 0.878 nan 8.150 nan 0.000 0.447 428 T N 1.533 116.149 114.554 0.103 0.000 2.829 428 T HA 0.603 4.953 4.350 0.000 0.000 0.280 428 T C -0.260 174.494 174.700 0.089 0.000 0.999 428 T CA -0.606 61.575 62.100 0.136 0.000 0.983 428 T CB 0.693 69.687 68.868 0.211 0.000 0.968 428 T HN 0.828 nan 8.240 nan 0.000 0.446 429 R N 2.369 122.922 120.500 0.088 0.000 2.604 429 R HA 0.668 5.008 4.340 0.000 0.000 0.287 429 R C -1.164 175.199 176.300 0.105 0.000 0.970 429 R CA -0.488 55.663 56.100 0.084 0.000 0.946 429 R CB 1.549 31.892 30.300 0.071 0.000 1.127 429 R HN 0.654 nan 8.270 nan 0.000 0.473 430 T N 3.611 118.248 114.554 0.139 0.000 3.170 430 T HA 0.290 4.640 4.350 0.000 0.000 0.315 430 T C -1.436 173.432 174.700 0.281 0.000 0.967 430 T CA -0.820 61.385 62.100 0.175 0.000 1.024 430 T CB 0.548 69.505 68.868 0.148 0.000 1.018 430 T HN 0.759 nan 8.240 nan 0.000 0.449 431 R N 4.466 125.093 120.500 0.213 0.000 2.562 431 R HA 0.754 5.094 4.340 0.000 0.000 0.298 431 R C -1.761 174.668 176.300 0.215 0.000 0.961 431 R CA -0.925 55.308 56.100 0.221 0.000 0.881 431 R CB 1.443 31.820 30.300 0.130 0.000 1.159 431 R HN 0.479 nan 8.270 nan 0.000 0.450 432 L N 4.524 125.909 121.223 0.270 0.000 2.342 432 L HA 0.496 4.836 4.340 0.000 0.000 0.276 432 L C -0.932 175.989 176.870 0.085 0.000 0.997 432 L CA -0.405 54.548 54.840 0.188 0.000 0.838 432 L CB 1.354 43.552 42.059 0.231 0.000 1.224 432 L HN 0.661 nan 8.230 nan 0.000 0.416 433 R N 2.762 123.293 120.500 0.052 0.000 2.368 433 R HA 0.716 5.056 4.340 0.000 0.000 0.302 433 R C -0.615 175.627 176.300 -0.096 0.000 1.002 433 R CA -0.493 55.537 56.100 -0.116 0.000 0.929 433 R CB 1.393 31.668 30.300 -0.041 0.000 1.073 433 R HN 0.558 nan 8.270 nan 0.000 0.464 434 T N 2.898 117.284 114.554 -0.279 0.000 2.812 434 T HA 0.327 4.677 4.350 0.000 0.000 0.282 434 T C -1.138 173.413 174.700 -0.248 0.000 0.990 434 T CA -0.541 61.502 62.100 -0.095 0.000 0.960 434 T CB 0.604 69.478 68.868 0.011 0.000 0.948 434 T HN 0.344 nan 8.240 nan 0.000 0.438 435 Y N 1.585 121.973 120.300 0.147 0.000 2.587 435 Y HA 0.559 5.109 4.550 0.000 0.000 0.328 435 Y C 0.883 176.761 175.900 -0.037 0.000 0.980 435 Y CA -0.852 57.321 58.100 0.122 0.000 1.272 435 Y CB 1.116 39.698 38.460 0.203 0.000 1.094 435 Y HN 0.819 nan 8.280 nan 0.000 0.503 436 G N 1.309 109.846 108.800 -0.439 0.000 2.410 436 G HA2 0.782 4.742 3.960 0.000 0.000 0.330 436 G HA3 0.782 4.742 3.960 0.000 0.000 0.330 436 G C -1.230 173.500 174.900 -0.284 0.000 1.142 436 G CA -0.805 43.821 45.100 -0.791 0.000 0.902 436 G HN 0.710 nan 8.290 nan 0.000 0.491 437 A N 1.341 124.250 122.820 0.148 0.000 2.513 437 A HA 0.750 5.070 4.320 0.000 0.000 0.296 437 A C -0.724 177.072 177.584 0.352 0.000 1.052 437 A CA -0.684 51.526 52.037 0.288 0.000 0.714 437 A CB 1.561 20.725 19.000 0.274 0.000 1.279 437 A HN 1.055 nan 8.150 nan 0.000 0.397 438 Q N 0.729 120.716 119.800 0.311 0.000 2.377 438 Q HA 0.830 5.170 4.340 0.000 0.000 0.279 438 Q C -1.009 175.097 176.000 0.177 0.000 1.049 438 Q CA -0.871 55.094 55.803 0.270 0.000 0.825 438 Q CB 2.443 31.341 28.738 0.266 0.000 1.401 438 Q HN 1.943 nan 8.270 nan 0.000 0.404 439 A N 2.096 125.012 122.820 0.159 0.000 2.509 439 A HA 0.466 4.786 4.320 0.000 0.000 0.282 439 A C -1.248 176.371 177.584 0.058 0.000 1.054 439 A CA -0.607 51.457 52.037 0.045 0.000 0.820 439 A CB 1.376 20.507 19.000 0.219 0.000 1.333 439 A HN 0.767 nan 8.150 nan 0.000 0.409 440 Q N 1.144 120.893 119.800 -0.085 0.000 2.458 440 Q HA 0.812 5.152 4.340 0.000 0.000 0.282 440 Q C -0.987 174.953 176.000 -0.100 0.000 1.106 440 Q CA -1.156 54.635 55.803 -0.021 0.000 0.814 440 Q CB 2.042 30.873 28.738 0.154 0.000 1.425 440 Q HN 0.438 nan 8.270 nan 0.000 0.437 441 N N 0.373 118.949 118.700 -0.207 0.000 2.454 441 N HA 0.229 4.969 4.740 0.000 0.000 0.291 441 N C -1.946 173.314 175.510 -0.417 0.000 1.079 441 N CA -0.235 52.679 53.050 -0.225 0.000 0.893 441 N CB 2.567 40.992 38.487 -0.103 0.000 1.512 441 N HN 0.697 nan 8.380 nan 0.000 0.497 442 T N 1.795 116.259 114.554 -0.150 0.000 2.767 442 T HA 0.570 4.920 4.350 0.000 0.000 0.288 442 T C -0.760 173.985 174.700 0.075 0.000 0.963 442 T CA -0.206 61.863 62.100 -0.052 0.000 1.019 442 T CB 0.052 68.914 68.868 -0.010 0.000 0.923 442 T HN 0.328 nan 8.240 nan 0.000 0.468 443 S N 4.984 120.820 115.700 0.226 0.000 2.456 443 S HA 0.539 5.009 4.470 0.000 0.000 0.316 443 S C -0.150 174.696 174.600 0.410 0.000 1.089 443 S CA -0.830 57.600 58.200 0.382 0.000 1.101 443 S CB 1.017 64.558 63.200 0.569 0.000 0.995 443 S HN 0.704 nan 8.310 nan 0.000 0.468 444 R N 1.953 122.657 120.500 0.340 0.000 2.604 444 R HA 0.790 5.130 4.340 0.000 0.000 0.287 444 R C -0.985 175.556 176.300 0.402 0.000 0.970 444 R CA -0.573 55.675 56.100 0.246 0.000 0.946 444 R CB 1.147 31.516 30.300 0.115 0.000 1.127 444 R HN 0.703 nan 8.270 nan 0.000 0.473 445 F N -2.232 117.852 119.950 0.224 0.000 2.770 445 F HA 0.555 5.082 4.527 0.000 0.000 0.313 445 F C -1.552 174.420 175.800 0.287 0.000 1.154 445 F CA -0.989 57.144 58.000 0.221 0.000 0.923 445 F CB 1.309 40.422 39.000 0.188 0.000 1.301 445 F HN 0.269 nan 8.300 nan 0.000 0.449 446 S N 1.307 117.285 115.700 0.464 0.000 2.548 446 S HA 0.641 5.111 4.470 0.000 0.000 0.286 446 S C -0.441 174.421 174.600 0.435 0.000 1.098 446 S CA -0.586 57.862 58.200 0.414 0.000 0.930 446 S CB 1.979 65.329 63.200 0.250 0.000 1.070 446 S HN 0.668 nan 8.310 nan 0.000 0.480 447 L N 1.488 122.993 121.223 0.470 0.000 2.640 447 L HA 0.651 4.991 4.340 0.000 0.000 0.230 447 L C 0.661 177.655 176.870 0.206 0.000 1.123 447 L CA 0.556 55.580 54.840 0.307 0.000 0.900 447 L CB -0.294 41.940 42.059 0.291 0.000 1.146 447 L HN 0.859 nan 8.230 nan 0.000 0.484 448 A N -2.074 120.899 122.820 0.255 0.000 2.549 448 A HA 0.573 4.893 4.320 0.000 0.000 0.291 448 A C -2.234 175.493 177.584 0.237 0.000 1.034 448 A CA -0.565 51.599 52.037 0.211 0.000 0.655 448 A CB -0.075 19.026 19.000 0.169 0.000 1.299 448 A HN -0.126 nan 8.150 nan 0.000 0.427 449 P HA 0.005 nan 4.420 nan 0.000 0.221 449 P C 1.090 178.441 177.300 0.085 0.000 1.145 449 P CA 2.006 65.177 63.100 0.118 0.000 0.795 449 P CB 0.273 32.028 31.700 0.092 0.000 0.775 450 G N -2.489 106.397 108.800 0.143 0.000 3.651 450 G HA2 0.051 4.011 3.960 0.000 0.000 0.279 450 G HA3 0.051 4.011 3.960 0.000 0.000 0.279 450 G C -0.130 174.654 174.900 -0.192 0.000 1.024 450 G CA 0.006 45.061 45.100 -0.076 0.000 0.813 450 G HN 0.299 nan 8.290 nan 0.000 0.518 451 H N 1.391 120.480 119.070 0.032 0.000 2.953 451 H HA 0.237 4.793 4.556 0.000 0.000 0.290 451 H C -1.124 174.177 175.328 -0.046 0.000 1.113 451 H CA -0.646 55.433 56.048 0.053 0.000 1.454 451 H CB 1.569 31.538 29.762 0.346 0.000 1.525 451 H HN 0.133 nan 8.280 nan 0.000 0.505 452 D N 2.528 122.759 120.400 -0.282 0.000 2.163 452 D HA 0.338 4.978 4.640 0.000 0.000 0.248 452 D C -0.176 175.795 176.300 -0.550 0.000 1.035 452 D CA -0.065 53.778 54.000 -0.262 0.000 0.872 452 D CB 1.520 42.180 40.800 -0.233 0.000 1.183 452 D HN 0.219 nan 8.370 nan 0.000 0.445 453 F N 0.346 120.092 119.950 -0.341 0.000 2.577 453 F HA 0.507 5.034 4.527 0.000 0.000 0.318 453 F C 0.458 175.990 175.800 -0.447 0.000 1.065 453 F CA -0.959 56.742 58.000 -0.498 0.000 0.929 453 F CB 2.129 40.462 39.000 -1.110 0.000 1.237 453 F HN -0.047 nan 8.300 nan 0.000 0.468 454 R N 1.727 122.213 120.500 -0.023 0.000 2.631 454 R HA 0.685 5.025 4.340 0.000 0.000 0.289 454 R C -1.665 174.744 176.300 0.181 0.000 1.303 454 R CA -0.471 55.662 56.100 0.056 0.000 0.989 454 R CB 1.142 31.454 30.300 0.021 0.000 1.208 454 R HN 0.778 nan 8.270 nan 0.000 0.461 455 A N 3.419 126.421 122.820 0.302 0.000 2.276 455 A HA 0.346 4.666 4.320 0.000 0.000 0.300 455 A C -0.630 177.168 177.584 0.356 0.000 1.235 455 A CA -0.542 51.729 52.037 0.390 0.000 0.867 455 A CB 0.706 20.020 19.000 0.522 0.000 1.137 455 A HN 0.664 nan 8.150 nan 0.000 0.527 456 N N 2.076 120.961 118.700 0.309 0.000 2.479 456 N HA 0.562 5.302 4.740 0.000 0.000 0.261 456 N C -1.361 174.320 175.510 0.286 0.000 0.979 456 N CA -0.405 52.769 53.050 0.207 0.000 0.930 456 N CB 0.591 39.205 38.487 0.213 0.000 1.172 456 N HN 0.522 nan 8.380 nan 0.000 0.499 457 Y N 0.869 121.213 120.300 0.073 0.000 2.536 457 Y HA 0.968 5.518 4.550 0.000 0.000 0.347 457 Y C 0.440 176.054 175.900 -0.478 0.000 1.000 457 Y CA -1.222 56.738 58.100 -0.232 0.000 1.051 457 Y CB 1.390 39.790 38.460 -0.100 0.000 1.259 457 Y HN 0.545 nan 8.280 nan 0.000 0.468 458 G N 0.691 108.930 108.800 -0.935 0.000 2.340 458 G HA2 0.536 4.496 3.960 0.000 0.000 0.299 458 G HA3 0.536 4.496 3.960 0.000 0.000 0.299 458 G C -2.377 172.243 174.900 -0.467 0.000 1.291 458 G CA -0.537 44.196 45.100 -0.613 0.000 0.841 458 G HN 1.174 nan 8.290 nan 0.000 0.500 459 L N -2.691 118.552 121.223 0.033 0.000 2.469 459 L HA 0.991 5.331 4.340 0.000 0.000 0.256 459 L C -0.798 176.285 176.870 0.355 0.000 1.006 459 L CA -0.978 53.998 54.840 0.227 0.000 0.832 459 L CB 2.323 44.490 42.059 0.180 0.000 1.421 459 L HN 0.834 nan 8.230 nan 0.000 0.410 460 E N 0.828 121.265 120.200 0.396 0.000 2.314 460 E HA 0.694 5.044 4.350 0.000 0.000 0.272 460 E C -2.218 174.657 176.600 0.459 0.000 0.884 460 E CA -0.648 55.995 56.400 0.405 0.000 0.753 460 E CB 2.455 32.380 29.700 0.375 0.000 1.213 460 E HN 0.666 nan 8.360 nan 0.000 0.432 461 F N 4.666 124.790 119.950 0.289 0.000 2.588 461 F HA 0.509 5.036 4.527 0.000 0.000 0.314 461 F C -1.960 174.033 175.800 0.322 0.000 1.134 461 F CA -0.481 57.661 58.000 0.236 0.000 0.961 461 F CB 1.218 40.317 39.000 0.165 0.000 1.239 461 F HN 0.483 nan 8.300 nan 0.000 0.448 462 Y N 3.884 123.887 120.300 -0.496 0.000 2.553 462 Y HA 0.665 5.215 4.550 0.000 0.000 0.347 462 Y C -2.268 173.319 175.900 -0.522 0.000 1.019 462 Y CA -2.183 55.711 58.100 -0.343 0.000 1.032 462 Y CB 0.992 39.404 38.460 -0.080 0.000 1.284 462 Y HN 0.621 nan 8.280 nan 0.000 0.466 463 Y N 2.543 122.733 120.300 -0.183 0.000 2.326 463 Y HA 0.493 5.043 4.550 0.000 0.000 0.331 463 Y C -1.305 174.679 175.900 0.141 0.000 0.962 463 Y CA -0.966 57.086 58.100 -0.080 0.000 1.167 463 Y CB 1.064 39.600 38.460 0.127 0.000 1.148 463 Y HN 0.758 nan 8.280 nan 0.000 0.463 464 D N 4.726 125.041 120.400 -0.141 0.000 2.210 464 D HA 0.245 4.885 4.640 0.000 0.000 0.249 464 D C -0.874 175.397 176.300 -0.049 0.000 1.078 464 D CA -0.237 53.761 54.000 -0.003 0.000 0.875 464 D CB 1.672 42.454 40.800 -0.029 0.000 1.175 464 D HN 0.364 nan 8.370 nan 0.000 0.440 465 K N 1.203 121.703 120.400 0.166 0.000 2.626 465 K HA 0.552 4.872 4.320 0.000 0.000 0.223 465 K C -1.309 175.384 176.600 0.156 0.000 0.992 465 K CA -0.618 55.810 56.287 0.234 0.000 1.024 465 K CB 0.887 33.685 32.500 0.496 0.000 1.225 465 K HN 0.328 nan 8.250 nan 0.000 0.498 466 A N 2.735 125.606 122.820 0.085 0.000 2.366 466 A HA 0.588 4.908 4.320 0.000 0.000 0.272 466 A C -0.196 177.436 177.584 0.080 0.000 1.135 466 A CA -0.021 52.055 52.037 0.064 0.000 0.804 466 A CB 0.140 19.149 19.000 0.015 0.000 1.064 466 A HN 0.768 nan 8.150 nan 0.000 0.499 467 T N -0.903 113.704 114.554 0.089 0.000 2.900 467 T HA 0.781 5.131 4.350 0.000 0.000 0.303 467 T C -0.535 174.214 174.700 0.081 0.000 1.142 467 T CA -0.514 61.639 62.100 0.088 0.000 1.007 467 T CB 1.704 70.635 68.868 0.105 0.000 1.156 467 T HN 1.319 nan 8.240 nan 0.000 0.490 468 S N 1.003 116.745 115.700 0.071 0.000 2.556 468 S HA 0.604 5.074 4.470 0.000 0.000 0.280 468 S C -2.519 172.118 174.600 0.062 0.000 1.141 468 S CA -0.713 57.528 58.200 0.069 0.000 0.883 468 S CB 1.273 64.507 63.200 0.057 0.000 1.103 468 S HN 1.198 nan 8.310 nan 0.000 0.453 469 D N 1.076 121.515 120.400 0.065 0.000 2.661 469 D HA 0.754 5.394 4.640 0.000 0.000 0.228 469 D C -0.793 175.547 176.300 0.067 0.000 1.210 469 D CA -0.497 53.538 54.000 0.058 0.000 0.826 469 D CB 1.462 42.295 40.800 0.055 0.000 1.542 469 D HN 0.434 nan 8.370 nan 0.000 0.447 470 S N -1.104 114.634 115.700 0.062 0.000 2.625 470 S HA 0.524 4.994 4.470 0.000 0.000 0.271 470 S C 0.005 174.647 174.600 0.069 0.000 1.161 470 S CA -0.118 58.132 58.200 0.084 0.000 0.820 470 S CB 1.215 64.471 63.200 0.093 0.000 1.137 470 S HN 0.615 nan 8.310 nan 0.000 0.470 471 S N 0.952 116.711 115.700 0.098 0.000 2.575 471 S HA 0.320 4.790 4.470 0.000 0.000 0.215 471 S C 0.551 175.182 174.600 0.052 0.000 0.966 471 S CA -0.258 57.991 58.200 0.081 0.000 0.911 471 S CB -0.136 63.128 63.200 0.106 0.000 0.780 471 S HN 0.592 nan 8.310 nan 0.000 0.514 472 R N 0.318 120.817 120.500 -0.001 0.000 2.758 472 R HA 0.376 4.716 4.340 0.000 0.000 0.265 472 R C 0.946 177.189 176.300 -0.097 0.000 1.016 472 R CA -0.687 55.340 56.100 -0.122 0.000 1.040 472 R CB 0.678 30.722 30.300 -0.427 0.000 1.152 472 R HN 0.036 nan 8.270 nan 0.000 0.503 473 Q N 0.690 120.428 119.800 -0.103 0.000 1.889 473 Q HA -0.045 4.295 4.340 0.000 0.000 0.211 473 Q C 0.513 176.471 176.000 -0.070 0.000 0.988 473 Q CA 1.777 57.539 55.803 -0.067 0.000 0.861 473 Q CB -0.570 28.133 28.738 -0.060 0.000 0.922 473 Q HN 0.778 nan 8.270 nan 0.000 0.425 474 G N 0.251 108.994 108.800 -0.095 0.000 3.058 474 G HA2 0.385 4.345 3.960 0.000 0.000 0.316 474 G HA3 0.385 4.345 3.960 0.000 0.000 0.316 474 G C 0.317 175.159 174.900 -0.098 0.000 0.951 474 G CA -0.150 44.900 45.100 -0.084 0.000 1.535 474 G HN 0.067 nan 8.290 nan 0.000 0.500 475 M N -0.049 119.510 119.600 -0.067 0.000 1.957 475 M HA 0.149 4.629 4.480 0.000 0.000 0.281 475 M C 1.824 178.126 176.300 0.002 0.000 1.076 475 M CA 0.266 55.541 55.300 -0.041 0.000 1.083 475 M CB -0.187 32.383 32.600 -0.050 0.000 1.933 475 M HN 0.490 nan 8.290 nan 0.000 0.667 476 E N 0.482 120.686 120.200 0.006 0.000 2.333 476 E HA -0.107 4.243 4.350 0.000 0.000 0.200 476 E C 1.368 177.981 176.600 0.022 0.000 1.010 476 E CA 1.237 57.651 56.400 0.023 0.000 0.841 476 E CB -0.044 29.669 29.700 0.022 0.000 0.757 476 E HN 0.563 nan 8.360 nan 0.000 0.508 477 G N -0.188 108.619 108.800 0.010 0.000 3.528 477 G HA2 0.128 4.088 3.960 0.000 0.000 0.266 477 G HA3 0.128 4.088 3.960 0.000 0.000 0.266 477 G C 1.264 176.168 174.900 0.007 0.000 1.004 477 G CA -0.292 44.816 45.100 0.014 0.000 0.853 477 G HN 0.033 nan 8.290 nan 0.000 0.501 478 V N 1.302 121.217 119.914 0.001 0.000 2.358 478 V HA -0.155 3.965 4.120 0.000 0.000 0.246 478 V C 3.055 179.164 176.094 0.024 0.000 1.047 478 V CA 2.604 64.906 62.300 0.003 0.000 1.035 478 V CB -0.793 31.032 31.823 0.003 0.000 0.658 478 V HN 0.384 nan 8.190 nan 0.000 0.452 479 T N 0.521 115.086 114.554 0.018 0.000 2.643 479 T HA -0.081 4.269 4.350 0.000 0.000 0.264 479 T C -0.513 174.187 174.700 -0.000 0.000 1.045 479 T CA 1.888 63.990 62.100 0.003 0.000 1.155 479 T CB -1.165 67.700 68.868 -0.005 0.000 0.863 479 T HN 0.484 nan 8.240 nan 0.000 0.420 480 P HA 0.524 nan 4.420 nan 0.000 0.190 480 P C -0.817 176.493 177.300 0.017 0.000 1.151 480 P CA 0.173 63.282 63.100 0.015 0.000 0.838 480 P CB 0.449 32.162 31.700 0.022 0.000 0.704 481 A N -1.383 121.448 122.820 0.018 0.000 2.521 481 A HA 0.636 4.956 4.320 0.000 0.000 0.298 481 A C -0.385 177.214 177.584 0.026 0.000 1.044 481 A CA 0.191 52.246 52.037 0.030 0.000 0.911 481 A CB 0.320 19.345 19.000 0.042 0.000 1.376 481 A HN 0.543 nan 8.150 nan 0.000 0.392 482 G N 1.467 110.281 108.800 0.023 0.000 2.539 482 G HA2 0.689 4.649 3.960 0.000 0.000 0.138 482 G HA3 0.689 4.649 3.960 0.000 0.000 0.138 482 G C -1.267 173.633 174.900 -0.000 0.000 1.148 482 G CA 0.398 45.506 45.100 0.013 0.000 1.057 482 G HN 2.174 nan 8.290 nan 0.000 0.511 483 N N -1.189 117.472 118.700 -0.065 0.000 2.815 483 N HA 0.588 5.329 4.740 0.000 0.000 0.253 483 N C -1.250 174.096 175.510 -0.274 0.000 1.202 483 N CA -0.753 52.182 53.050 -0.191 0.000 0.925 483 N CB 1.997 40.380 38.487 -0.172 0.000 1.622 483 N HN 0.732 nan 8.380 nan 0.000 0.497 484 R N 0.942 121.195 120.500 -0.412 0.000 2.512 484 R HA 0.529 4.869 4.340 0.000 0.000 0.291 484 R C -1.509 174.513 176.300 -0.463 0.000 1.097 484 R CA -0.420 55.483 56.100 -0.328 0.000 0.940 484 R CB 1.026 31.218 30.300 -0.178 0.000 1.198 484 R HN 0.886 nan 8.270 nan 0.000 0.429 485 S N 2.014 117.460 115.700 -0.424 0.000 2.549 485 S HA 0.668 5.138 4.470 0.000 0.000 0.297 485 S C -0.630 173.721 174.600 -0.415 0.000 1.115 485 S CA -0.695 57.212 58.200 -0.488 0.000 1.059 485 S CB 2.221 65.317 63.200 -0.173 0.000 1.046 485 S HN 0.397 nan 8.310 nan 0.000 0.506 486 V N 1.023 120.518 119.914 -0.699 0.000 2.612 486 V HA 0.808 4.928 4.120 0.000 0.000 0.301 486 V C -0.447 175.521 176.094 -0.211 0.000 1.059 486 V CA -0.435 61.651 62.300 -0.357 0.000 0.886 486 V CB 1.125 32.755 31.823 -0.322 0.000 1.007 486 V HN 1.448 nan 8.190 nan 0.000 0.426 487 A N 4.906 127.811 122.820 0.141 0.000 2.305 487 A HA 0.921 5.241 4.320 0.000 0.000 0.322 487 A C 0.083 177.815 177.584 0.247 0.000 1.187 487 A CA -0.342 51.898 52.037 0.339 0.000 0.825 487 A CB 1.359 20.617 19.000 0.430 0.000 1.164 487 A HN 1.072 nan 8.150 nan 0.000 0.498 488 S N 0.090 115.964 115.700 0.290 0.000 2.600 488 S HA 0.762 5.233 4.470 0.000 0.000 0.300 488 S C -1.263 173.528 174.600 0.317 0.000 1.087 488 S CA -0.404 57.968 58.200 0.287 0.000 0.965 488 S CB 1.510 64.896 63.200 0.311 0.000 1.089 488 S HN 0.844 nan 8.310 nan 0.000 0.496 489 L N 3.225 124.641 121.223 0.322 0.000 2.617 489 L HA 0.506 4.846 4.340 0.000 0.000 0.259 489 L C -1.386 175.638 176.870 0.257 0.000 0.995 489 L CA -0.332 54.651 54.840 0.240 0.000 0.899 489 L CB 0.276 42.464 42.059 0.215 0.000 1.181 489 L HN 0.652 nan 8.230 nan 0.000 0.437 490 F N 2.577 122.628 119.950 0.168 0.000 2.450 490 F HA 1.001 5.528 4.527 0.000 0.000 0.328 490 F C -0.036 175.867 175.800 0.170 0.000 1.068 490 F CA -0.600 57.489 58.000 0.149 0.000 1.007 490 F CB 1.752 40.825 39.000 0.122 0.000 1.251 490 F HN 0.536 nan 8.300 nan 0.000 0.492 491 A N 2.764 125.763 122.820 0.298 0.000 2.522 491 A HA 0.463 4.783 4.320 0.000 0.000 0.290 491 A C -1.810 175.935 177.584 0.269 0.000 1.047 491 A CA -0.872 51.302 52.037 0.229 0.000 0.935 491 A CB 0.102 19.177 19.000 0.124 0.000 1.451 491 A HN 0.934 nan 8.150 nan 0.000 0.398 492 N N 1.204 120.095 118.700 0.318 0.000 2.335 492 N HA 0.804 5.544 4.740 0.000 0.000 0.304 492 N C -1.223 174.426 175.510 0.232 0.000 1.135 492 N CA -0.893 52.301 53.050 0.239 0.000 0.817 492 N CB 1.920 40.530 38.487 0.204 0.000 1.294 492 N HN 0.598 nan 8.380 nan 0.000 0.497 493 L N -0.044 121.300 121.223 0.201 0.000 2.406 493 L HA 0.604 4.944 4.340 0.000 0.000 0.272 493 L C -0.975 176.015 176.870 0.199 0.000 0.980 493 L CA -0.014 54.964 54.840 0.229 0.000 0.831 493 L CB 1.847 44.055 42.059 0.248 0.000 1.253 493 L HN 0.725 nan 8.230 nan 0.000 0.406 494 T N 4.368 119.026 114.554 0.174 0.000 2.859 494 T HA 0.472 4.822 4.350 0.000 0.000 0.281 494 T C -1.611 173.137 174.700 0.081 0.000 1.005 494 T CA -0.061 62.103 62.100 0.107 0.000 1.025 494 T CB 0.981 69.872 68.868 0.038 0.000 0.977 494 T HN 0.445 nan 8.240 nan 0.000 0.458 495 Y N 2.234 122.451 120.300 -0.139 0.000 2.373 495 Y HA 0.519 5.069 4.550 0.000 0.000 0.336 495 Y C -1.492 174.215 175.900 -0.321 0.000 0.979 495 Y CA -1.078 56.790 58.100 -0.386 0.000 1.080 495 Y CB 1.193 39.444 38.460 -0.348 0.000 1.190 495 Y HN 0.501 nan 8.280 nan 0.000 0.446 496 D N 4.760 124.572 120.400 -0.980 0.000 2.350 496 D HA 0.243 4.883 4.640 0.000 0.000 0.245 496 D C -1.813 173.870 176.300 -1.028 0.000 1.036 496 D CA -0.103 53.408 54.000 -0.816 0.000 0.848 496 D CB 1.949 42.478 40.800 -0.452 0.000 1.307 496 D HN 0.618 nan 8.370 nan 0.000 0.469 497 Y N 1.250 120.969 120.300 -0.970 0.000 2.329 497 Y HA 0.184 4.734 4.550 0.000 0.000 0.328 497 Y C -0.412 175.084 175.900 -0.673 0.000 0.992 497 Y CA -0.746 56.820 58.100 -0.890 0.000 1.151 497 Y CB 0.971 38.902 38.460 -0.882 0.000 1.150 497 Y HN 0.242 nan 8.280 nan 0.000 0.450 498 D N 3.993 123.842 120.400 -0.918 0.000 2.860 498 D HA -0.216 4.424 4.640 0.000 0.000 0.229 498 D C 1.131 177.313 176.300 -0.196 0.000 1.169 498 D CA 1.915 55.597 54.000 -0.530 0.000 0.737 498 D CB -1.293 39.233 40.800 -0.457 0.000 1.080 498 D HN 1.265 nan 8.370 nan 0.000 0.424 499 G N -0.274 108.375 108.800 -0.252 0.000 2.341 499 G HA2 -0.267 3.693 3.960 0.000 0.000 0.292 499 G HA3 -0.267 3.693 3.960 0.000 0.000 0.292 499 G C 0.688 175.621 174.900 0.056 0.000 1.021 499 G CA 0.850 45.885 45.100 -0.107 0.000 0.905 499 G HN 0.717 nan 8.290 nan 0.000 0.508 500 W N -2.581 118.671 121.300 -0.081 0.000 1.952 500 W HA 0.589 5.249 4.660 0.000 0.000 0.236 500 W C -0.530 176.007 176.519 0.030 0.000 0.880 500 W CA -0.230 57.109 57.345 -0.010 0.000 1.095 500 W CB 0.242 29.705 29.460 0.005 0.000 0.933 500 W HN 0.390 nan 8.180 nan 0.000 0.553 501 L N 2.834 123.716 121.223 -0.568 0.000 2.362 501 L HA 0.837 5.177 4.340 0.000 0.000 0.271 501 L C -0.927 175.743 176.870 -0.333 0.000 1.002 501 L CA -0.136 54.382 54.840 -0.537 0.000 0.818 501 L CB 2.318 43.794 42.059 -0.971 0.000 1.298 501 L HN -0.015 nan 8.230 nan 0.000 0.420 502 T N 5.523 119.985 114.554 -0.154 0.000 3.071 502 T HA 0.592 4.942 4.350 0.000 0.000 0.311 502 T C -1.260 173.450 174.700 0.016 0.000 1.042 502 T CA -0.215 61.824 62.100 -0.101 0.000 1.028 502 T CB 1.224 70.060 68.868 -0.053 0.000 1.068 502 T HN 0.305 nan 8.240 nan 0.000 0.451 503 L N 2.997 124.266 121.223 0.077 0.000 2.401 503 L HA 0.466 4.807 4.340 0.000 0.000 0.263 503 L C 0.120 177.068 176.870 0.130 0.000 1.004 503 L CA -0.373 54.548 54.840 0.135 0.000 0.881 503 L CB 1.399 43.575 42.059 0.195 0.000 1.219 503 L HN 0.666 nan 8.230 nan 0.000 0.441 504 E N 1.736 121.997 120.200 0.101 0.000 2.216 504 E HA 0.742 5.092 4.350 0.000 0.000 0.279 504 E C -0.425 176.237 176.600 0.103 0.000 0.997 504 E CA -0.636 55.822 56.400 0.097 0.000 0.817 504 E CB 1.442 31.183 29.700 0.068 0.000 1.096 504 E HN 0.640 nan 8.360 nan 0.000 0.393 505 G N 1.960 110.828 108.800 0.112 0.000 2.684 505 G HA2 0.585 4.545 3.960 0.000 0.000 0.289 505 G HA3 0.585 4.545 3.960 0.000 0.000 0.289 505 G C -0.931 174.037 174.900 0.114 0.000 1.416 505 G CA -0.192 44.971 45.100 0.105 0.000 1.235 505 G HN 0.665 nan 8.290 nan 0.000 0.576 506 G N -0.093 108.768 108.800 0.102 0.000 2.708 506 G HA2 0.899 4.859 3.960 0.000 0.000 0.289 506 G HA3 0.899 4.859 3.960 0.000 0.000 0.289 506 G C -1.512 173.453 174.900 0.108 0.000 1.416 506 G CA -0.606 44.568 45.100 0.124 0.000 0.829 506 G HN 1.501 nan 8.290 nan 0.000 0.480 507 L N -2.125 119.180 121.223 0.137 0.000 2.465 507 L HA 0.903 5.243 4.340 0.000 0.000 0.257 507 L C -0.617 176.361 176.870 0.179 0.000 0.988 507 L CA -1.494 53.420 54.840 0.125 0.000 0.827 507 L CB 1.984 44.103 42.059 0.100 0.000 1.397 507 L HN 0.773 nan 8.230 nan 0.000 0.410 508 R N 1.145 121.746 120.500 0.168 0.000 2.621 508 R HA 0.572 4.912 4.340 0.000 0.000 0.292 508 R C -2.093 174.333 176.300 0.210 0.000 0.969 508 R CA -0.624 55.609 56.100 0.221 0.000 0.887 508 R CB 1.805 32.223 30.300 0.197 0.000 1.180 508 R HN 0.882 nan 8.270 nan 0.000 0.450 509 Y N 3.887 124.255 120.300 0.112 0.000 2.328 509 Y HA 0.373 4.923 4.550 0.000 0.000 0.337 509 Y C -1.222 174.744 175.900 0.109 0.000 0.966 509 Y CA -0.463 57.675 58.100 0.064 0.000 1.136 509 Y CB 1.368 39.852 38.460 0.040 0.000 1.170 509 Y HN 0.620 nan 8.280 nan 0.000 0.470 510 D N 5.035 125.124 120.400 -0.518 0.000 2.340 510 D HA 0.446 5.086 4.640 0.000 0.000 0.240 510 D C -1.131 174.924 176.300 -0.407 0.000 1.001 510 D CA -0.688 53.176 54.000 -0.227 0.000 0.888 510 D CB 2.093 42.968 40.800 0.126 0.000 1.310 510 D HN 0.645 nan 8.370 nan 0.000 0.474 511 R N 0.154 120.641 120.500 -0.023 0.000 2.522 511 R HA 0.411 4.751 4.340 0.000 0.000 0.283 511 R C -1.774 174.673 176.300 0.245 0.000 1.074 511 R CA -0.912 55.257 56.100 0.115 0.000 0.925 511 R CB 0.373 30.709 30.300 0.060 0.000 1.205 511 R HN 0.518 nan 8.270 nan 0.000 0.436 512 Y N 0.547 120.921 120.300 0.125 0.000 2.534 512 Y HA 0.817 5.367 4.550 0.000 0.000 0.329 512 Y C -0.633 175.267 175.900 -0.001 0.000 1.154 512 Y CA -1.404 56.694 58.100 -0.004 0.000 1.192 512 Y CB 1.734 40.134 38.460 -0.099 0.000 1.275 512 Y HN 0.736 nan 8.280 nan 0.000 0.491 513 R N 3.117 123.481 120.500 -0.228 0.000 2.625 513 R HA 0.385 4.725 4.340 0.000 0.000 0.286 513 R C -2.597 173.586 176.300 -0.195 0.000 1.406 513 R CA -0.544 55.388 56.100 -0.280 0.000 1.052 513 R CB 0.732 30.976 30.300 -0.095 0.000 1.203 513 R HN 0.843 nan 8.270 nan 0.000 0.502 514 L N 3.514 124.603 121.223 -0.223 0.000 2.289 514 L HA 0.642 4.982 4.340 0.000 0.000 0.285 514 L C -0.794 176.016 176.870 -0.099 0.000 1.049 514 L CA 0.096 54.880 54.840 -0.093 0.000 0.804 514 L CB 0.921 42.998 42.059 0.031 0.000 1.195 514 L HN 0.653 nan 8.230 nan 0.000 0.428 515 R N 3.280 123.735 120.500 -0.074 0.000 2.651 515 R HA 0.858 5.198 4.340 0.000 0.000 0.278 515 R C -1.031 175.256 176.300 -0.020 0.000 1.010 515 R CA -0.753 55.323 56.100 -0.040 0.000 0.896 515 R CB 2.286 32.577 30.300 -0.015 0.000 1.211 515 R HN 0.922 nan 8.270 nan 0.000 0.456 516 G N 1.531 110.332 108.800 0.002 0.000 2.358 516 G HA2 0.190 4.150 3.960 0.000 0.000 0.301 516 G HA3 0.190 4.150 3.960 0.000 0.000 0.301 516 G C -1.946 172.980 174.900 0.043 0.000 1.539 516 G CA -0.863 44.249 45.100 0.020 0.000 0.893 516 G HN 0.274 nan 8.290 nan 0.000 0.636 517 Q N -0.503 119.331 119.800 0.057 0.000 2.215 517 Q HA 0.906 5.246 4.340 0.000 0.000 0.256 517 Q C 0.125 176.187 176.000 0.104 0.000 0.972 517 Q CA -0.441 55.412 55.803 0.084 0.000 0.889 517 Q CB 2.169 30.948 28.738 0.069 0.000 1.281 517 Q HN 0.825 nan 8.270 nan 0.000 0.456 518 T N -1.000 113.647 114.554 0.155 0.000 2.831 518 T HA 0.715 5.065 4.350 0.000 0.000 0.333 518 T C -1.282 173.575 174.700 0.262 0.000 1.684 518 T CA -0.074 62.139 62.100 0.189 0.000 1.049 518 T CB 0.957 69.941 68.868 0.193 0.000 1.518 518 T HN 0.702 nan 8.240 nan 0.000 0.491 519 G N 0.863 109.808 108.800 0.241 0.000 2.866 519 G HA2 0.870 4.830 3.960 0.000 0.000 0.289 519 G HA3 0.870 4.830 3.960 0.000 0.000 0.289 519 G C -1.754 173.316 174.900 0.284 0.000 1.396 519 G CA -0.626 44.604 45.100 0.217 0.000 0.848 519 G HN 1.257 nan 8.290 nan 0.000 0.515 520 L N -0.537 120.831 121.223 0.241 0.000 2.830 520 L HA 0.539 4.880 4.340 0.000 0.000 0.259 520 L C -1.300 175.710 176.870 0.234 0.000 0.926 520 L CA -0.489 54.545 54.840 0.324 0.000 0.993 520 L CB 1.520 43.848 42.059 0.448 0.000 1.589 520 L HN 0.570 nan 8.230 nan 0.000 0.460 521 S N 3.248 119.078 115.700 0.217 0.000 2.475 521 S HA 0.763 5.233 4.470 0.000 0.000 0.298 521 S C -1.307 173.380 174.600 0.145 0.000 1.119 521 S CA -0.367 57.891 58.200 0.096 0.000 1.085 521 S CB 1.188 64.414 63.200 0.043 0.000 1.028 521 S HN 0.542 nan 8.310 nan 0.000 0.489 522 Y N 0.302 120.600 120.300 -0.003 0.000 2.545 522 Y HA 0.711 5.261 4.550 0.000 0.000 0.348 522 Y C -3.362 172.520 175.900 -0.030 0.000 1.002 522 Y CA -3.488 54.591 58.100 -0.034 0.000 1.039 522 Y CB 0.282 38.691 38.460 -0.085 0.000 1.271 522 Y HN 0.312 nan 8.280 nan 0.000 0.467 523 P HA 0.104 nan 4.420 nan 0.000 0.264 523 P C -1.066 176.271 177.300 0.061 0.000 1.236 523 P CA 0.685 63.810 63.100 0.042 0.000 0.811 523 P CB 0.422 32.161 31.700 0.065 0.000 0.840 524 D N 2.464 122.839 120.400 -0.041 0.000 2.457 524 D HA 0.280 4.920 4.640 0.000 0.000 0.240 524 D C -0.940 175.362 176.300 0.003 0.000 1.041 524 D CA -0.529 53.462 54.000 -0.016 0.000 0.861 524 D CB 1.195 41.916 40.800 -0.132 0.000 1.394 524 D HN 0.019 nan 8.370 nan 0.000 0.473 525 L N 3.053 124.297 121.223 0.036 0.000 2.397 525 L HA 0.679 5.019 4.340 0.000 0.000 0.263 525 L C -0.798 176.189 176.870 0.196 0.000 1.136 525 L CA 0.092 55.010 54.840 0.131 0.000 1.019 525 L CB -0.996 41.128 42.059 0.109 0.000 1.352 525 L HN 0.562 nan 8.230 nan 0.000 0.420 526 A N 3.586 126.449 122.820 0.073 0.000 2.529 526 A HA 0.629 4.950 4.320 0.000 0.000 0.296 526 A C -0.112 177.332 177.584 -0.234 0.000 1.205 526 A CA -0.416 51.464 52.037 -0.262 0.000 0.671 526 A CB 1.896 20.751 19.000 -0.241 0.000 1.301 526 A HN 0.428 nan 8.150 nan 0.000 0.450 527 K N -1.302 118.867 120.400 -0.386 0.000 2.847 527 K HA 0.225 4.545 4.320 0.000 0.000 0.251 527 K C -0.952 175.570 176.600 -0.130 0.000 1.299 527 K CA 0.112 56.303 56.287 -0.161 0.000 0.926 527 K CB 0.472 32.915 32.500 -0.096 0.000 1.824 527 K HN 0.557 nan 8.250 nan 0.000 0.388 528 D N 0.577 120.896 120.400 -0.134 0.000 2.772 528 D HA 0.251 4.891 4.640 0.000 0.000 0.273 528 D C 0.246 176.483 176.300 -0.106 0.000 1.233 528 D CA 0.505 54.449 54.000 -0.094 0.000 0.984 528 D CB 0.591 41.353 40.800 -0.062 0.000 1.000 528 D HN 0.747 nan 8.370 nan 0.000 0.514 529 G N 1.102 109.830 108.800 -0.121 0.000 2.435 529 G HA2 -0.308 3.652 3.960 0.000 0.000 0.245 529 G HA3 -0.308 3.652 3.960 0.000 0.000 0.245 529 G C 0.532 175.353 174.900 -0.132 0.000 1.073 529 G CA -0.153 44.879 45.100 -0.114 0.000 0.638 529 G HN 0.390 nan 8.290 nan 0.000 0.521 530 Q N 1.066 120.767 119.800 -0.164 0.000 2.286 530 Q HA 0.326 4.666 4.340 0.000 0.000 0.267 530 Q C 0.628 176.450 176.000 -0.296 0.000 1.028 530 Q CA 0.016 55.705 55.803 -0.190 0.000 0.901 530 Q CB 1.002 29.630 28.738 -0.182 0.000 1.183 530 Q HN 0.616 nan 8.270 nan 0.000 0.392 531 R N 2.716 123.101 120.500 -0.192 0.000 2.308 531 R HA 0.148 4.488 4.340 0.000 0.000 0.305 531 R C -0.806 175.436 176.300 -0.097 0.000 1.053 531 R CA -0.497 55.509 56.100 -0.158 0.000 0.957 531 R CB 0.503 30.774 30.300 -0.049 0.000 1.022 531 R HN 0.412 nan 8.270 nan 0.000 0.461 532 Y N 3.692 124.022 120.300 0.050 0.000 2.644 532 Y HA 0.032 4.582 4.550 0.000 0.000 0.354 532 Y C 0.868 176.843 175.900 0.125 0.000 1.166 532 Y CA 0.111 58.265 58.100 0.090 0.000 1.591 532 Y CB -0.027 38.502 38.460 0.114 0.000 1.346 532 Y HN 0.547 nan 8.280 nan 0.000 0.497 533 T N -1.899 112.797 114.554 0.238 0.000 2.889 533 T HA 0.277 4.627 4.350 0.000 0.000 0.278 533 T C 1.214 175.974 174.700 0.099 0.000 0.995 533 T CA -0.757 61.448 62.100 0.175 0.000 0.966 533 T CB 1.082 69.995 68.868 0.075 0.000 1.237 533 T HN 0.312 nan 8.240 nan 0.000 0.591 534 I N 1.719 122.230 120.570 -0.098 0.000 2.145 534 I HA -0.178 3.992 4.170 0.000 0.000 0.244 534 I C 1.478 177.436 176.117 -0.266 0.000 1.075 534 I CA 2.089 63.089 61.300 -0.500 0.000 1.332 534 I CB -0.558 37.173 38.000 -0.449 0.000 1.033 534 I HN 0.860 nan 8.210 nan 0.000 0.410 535 D N -1.166 119.166 120.400 -0.114 0.000 2.370 535 D HA 0.054 4.694 4.640 0.000 0.000 0.230 535 D C 0.108 176.409 176.300 0.002 0.000 1.143 535 D CA 0.057 54.022 54.000 -0.059 0.000 0.834 535 D CB -0.797 39.976 40.800 -0.045 0.000 0.944 535 D HN 0.367 nan 8.370 nan 0.000 0.504 536 N N 0.429 119.157 118.700 0.047 0.000 2.732 536 N HA 0.234 4.974 4.740 0.000 0.000 0.235 536 N C -3.022 172.637 175.510 0.249 0.000 1.466 536 N CA -1.291 51.835 53.050 0.127 0.000 0.751 536 N CB 1.112 39.665 38.487 0.111 0.000 1.317 536 N HN -0.173 nan 8.380 nan 0.000 0.525 537 P HA 0.048 nan 4.420 nan 0.000 0.271 537 P C 0.811 178.188 177.300 0.129 0.000 1.244 537 P CA -0.362 62.856 63.100 0.197 0.000 0.793 537 P CB 0.895 32.671 31.700 0.126 0.000 0.984 538 c N -0.278 118.252 118.600 -0.116 0.000 2.485 538 c HA 0.113 4.683 4.570 0.000 0.000 0.278 538 c C 0.832 174.847 174.090 -0.126 0.000 1.356 538 c CA 0.623 56.635 56.329 -0.528 0.000 1.747 538 c CB -1.696 40.394 42.510 -0.699 0.000 2.001 538 c HN 0.559 nan 8.230 nan 0.000 0.501 539 K N -0.188 120.229 120.400 0.027 0.000 3.192 539 K HA -0.146 4.174 4.320 0.000 0.000 0.278 539 K C -0.234 176.404 176.600 0.064 0.000 1.164 539 K CA 0.900 57.221 56.287 0.055 0.000 0.816 539 K CB -1.935 30.595 32.500 0.050 0.000 1.256 539 K HN 0.751 nan 8.250 nan 0.000 0.497 540 A N -0.856 122.035 122.820 0.118 0.000 2.389 540 A HA 0.792 5.112 4.320 0.000 0.000 0.293 540 A C 0.639 178.338 177.584 0.190 0.000 1.186 540 A CA -0.409 51.671 52.037 0.072 0.000 0.828 540 A CB 0.793 19.753 19.000 -0.067 0.000 1.369 540 A HN 0.170 nan 8.150 nan 0.000 0.446 541 L N -1.195 120.079 121.223 0.084 0.000 2.357 541 L HA 0.416 4.756 4.340 0.000 0.000 0.211 541 L C 0.648 177.573 176.870 0.092 0.000 1.075 541 L CA 1.237 56.150 54.840 0.121 0.000 0.830 541 L CB -0.298 41.791 42.059 0.050 0.000 0.996 541 L HN 0.709 nan 8.230 nan 0.000 0.467 542 R N -1.849 118.588 120.500 -0.106 0.000 2.919 542 R HA 0.433 4.773 4.340 0.000 0.000 0.260 542 R C 0.751 176.683 176.300 -0.613 0.000 1.067 542 R CA -0.593 55.369 56.100 -0.231 0.000 1.003 542 R CB 0.578 30.797 30.300 -0.136 0.000 1.192 542 R HN -0.096 nan 8.270 nan 0.000 0.488 543 L N 0.357 121.245 121.223 -0.559 0.000 2.179 543 L HA -0.092 4.248 4.340 0.000 0.000 0.208 543 L C 1.862 178.551 176.870 -0.303 0.000 1.096 543 L CA 1.621 56.114 54.840 -0.578 0.000 0.779 543 L CB -0.372 41.491 42.059 -0.327 0.000 0.922 543 L HN 0.938 nan 8.230 nan 0.000 0.443 544 T N -3.302 111.133 114.554 -0.197 0.000 2.918 544 T HA -0.146 4.204 4.350 0.000 0.000 0.271 544 T C 1.509 176.148 174.700 -0.103 0.000 1.104 544 T CA 1.157 63.190 62.100 -0.112 0.000 1.114 544 T CB -0.582 68.238 68.868 -0.079 0.000 0.855 544 T HN 0.403 nan 8.240 nan 0.000 0.518 545 G N -1.345 107.361 108.800 -0.156 0.000 3.371 545 G HA2 0.324 4.284 3.960 0.000 0.000 0.248 545 G HA3 0.324 4.284 3.960 0.000 0.000 0.248 545 G C 0.926 175.762 174.900 -0.106 0.000 1.161 545 G CA 0.236 45.269 45.100 -0.112 0.000 0.796 545 G HN 0.594 nan 8.290 nan 0.000 0.539 546 c N -0.342 118.187 118.600 -0.118 0.000 3.685 546 c HA 0.307 4.877 4.570 0.000 0.000 0.513 546 c C 1.474 175.626 174.090 0.104 0.000 1.448 546 c CA 0.175 56.476 56.329 -0.047 0.000 2.275 546 c CB -0.181 42.177 42.510 -0.252 0.000 3.373 546 c HN 0.440 nan 8.230 nan 0.000 0.627 547 S N 1.286 117.000 115.700 0.024 0.000 2.565 547 S HA 0.710 5.180 4.470 0.000 0.000 0.274 547 S C -0.356 174.260 174.600 0.027 0.000 1.309 547 S CA 0.269 58.494 58.200 0.041 0.000 1.043 547 S CB 1.074 64.287 63.200 0.022 0.000 0.939 547 S HN 0.446 nan 8.310 nan 0.000 0.504 548 T N 0.832 115.392 114.554 0.010 0.000 2.671 548 T HA 0.561 4.911 4.350 0.000 0.000 0.300 548 T C -0.872 173.792 174.700 -0.060 0.000 1.238 548 T CA -0.738 61.348 62.100 -0.023 0.000 1.020 548 T CB 1.541 70.389 68.868 -0.033 0.000 1.503 548 T HN 0.763 nan 8.240 nan 0.000 0.497 549 T N 1.227 115.728 114.554 -0.089 0.000 2.807 549 T HA 0.620 4.970 4.350 0.000 0.000 0.279 549 T C -1.019 173.550 174.700 -0.218 0.000 0.993 549 T CA -0.276 61.740 62.100 -0.140 0.000 0.970 549 T CB 0.854 69.672 68.868 -0.083 0.000 0.950 549 T HN 0.528 nan 8.240 nan 0.000 0.441 550 T N 4.463 118.775 114.554 -0.404 0.000 2.794 550 T HA 0.545 4.895 4.350 0.000 0.000 0.280 550 T C -0.348 174.099 174.700 -0.421 0.000 0.987 550 T CA -0.684 61.138 62.100 -0.464 0.000 0.993 550 T CB 1.111 69.570 68.868 -0.681 0.000 0.939 550 T HN 0.541 nan 8.240 nan 0.000 0.449 551 R N 2.279 122.641 120.500 -0.230 0.000 2.346 551 R HA 0.430 4.770 4.340 0.000 0.000 0.311 551 R C -0.637 175.586 176.300 -0.129 0.000 0.983 551 R CA -0.559 55.462 56.100 -0.131 0.000 0.880 551 R CB 0.674 30.926 30.300 -0.080 0.000 1.100 551 R HN 0.678 nan 8.270 nan 0.000 0.453 552 E N 3.058 123.203 120.200 -0.091 0.000 2.182 552 E HA 0.233 4.583 4.350 0.000 0.000 0.258 552 E C -1.199 175.194 176.600 -0.345 0.000 0.879 552 E CA -0.743 55.512 56.400 -0.241 0.000 0.754 552 E CB 0.817 30.392 29.700 -0.210 0.000 1.162 552 E HN 0.571 nan 8.360 nan 0.000 0.419 553 D N 3.900 124.092 120.400 -0.347 0.000 2.177 553 D HA 0.227 4.867 4.640 0.000 0.000 0.247 553 D C -1.014 175.084 176.300 -0.337 0.000 1.063 553 D CA -0.033 53.825 54.000 -0.237 0.000 0.867 553 D CB 0.585 41.331 40.800 -0.090 0.000 1.168 553 D HN 0.331 nan 8.370 nan 0.000 0.445 554 W N 0.669 122.007 121.300 0.065 0.000 2.529 554 W HA 0.240 4.900 4.660 0.000 0.000 0.321 554 W C 0.166 176.697 176.519 0.020 0.000 1.047 554 W CA -0.835 56.540 57.345 0.050 0.000 1.216 554 W CB 1.173 30.669 29.460 0.061 0.000 1.357 554 W HN 0.137 nan 8.180 nan 0.000 0.489 555 D N 2.981 123.517 120.400 0.226 0.000 2.518 555 D HA 0.208 4.848 4.640 0.000 0.000 0.230 555 D C -0.597 175.758 176.300 0.091 0.000 1.138 555 D CA -0.248 53.827 54.000 0.124 0.000 0.964 555 D CB 0.496 41.342 40.800 0.077 0.000 1.011 555 D HN 0.013 nan 8.370 nan 0.000 0.517 556 V N 2.922 122.878 119.914 0.069 0.000 2.585 556 V HA 0.171 4.291 4.120 0.000 0.000 0.296 556 V C 0.583 176.661 176.094 -0.027 0.000 1.035 556 V CA 0.268 62.562 62.300 -0.010 0.000 1.084 556 V CB 1.213 33.009 31.823 -0.044 0.000 0.953 556 V HN 0.460 nan 8.190 nan 0.000 0.483 557 D N 3.753 124.119 120.400 -0.057 0.000 3.285 557 D HA 0.165 4.805 4.640 0.000 0.000 0.273 557 D C 0.105 176.341 176.300 -0.108 0.000 1.295 557 D CA -0.555 53.406 54.000 -0.066 0.000 0.762 557 D CB 0.487 41.268 40.800 -0.032 0.000 1.379 557 D HN 0.663 nan 8.370 nan 0.000 0.612 558 R N 0.715 121.121 120.500 -0.157 0.000 2.573 558 R HA 0.778 5.118 4.340 0.000 0.000 0.272 558 R C -0.876 175.173 176.300 -0.417 0.000 1.009 558 R CA -0.685 55.295 56.100 -0.200 0.000 1.059 558 R CB 1.333 31.554 30.300 -0.130 0.000 1.112 558 R HN 0.087 nan 8.270 nan 0.000 0.517 559 D N 0.474 120.633 120.400 -0.401 0.000 2.746 559 D HA 0.126 4.766 4.640 0.000 0.000 0.211 559 D C -1.182 175.009 176.300 -0.182 0.000 1.242 559 D CA -0.698 52.976 54.000 -0.543 0.000 0.790 559 D CB 1.130 41.747 40.800 -0.305 0.000 1.744 559 D HN 0.791 nan 8.370 nan 0.000 0.520 560 Q N 0.550 120.346 119.800 -0.007 0.000 2.685 560 Q HA 0.741 5.082 4.340 0.000 0.000 0.301 560 Q C -1.196 174.936 176.000 0.219 0.000 0.924 560 Q CA -1.452 54.464 55.803 0.187 0.000 0.755 560 Q CB 1.556 30.455 28.738 0.268 0.000 1.470 560 Q HN 0.552 nan 8.270 nan 0.000 0.434 561 G N 0.239 109.050 108.800 0.019 0.000 2.453 561 G HA2 0.641 4.601 3.960 0.000 0.000 0.323 561 G HA3 0.641 4.601 3.960 0.000 0.000 0.323 561 G C -1.681 172.854 174.900 -0.608 0.000 1.198 561 G CA -0.596 44.334 45.100 -0.283 0.000 0.959 561 G HN 0.473 nan 8.290 nan 0.000 0.482 562 K N 0.621 120.390 120.400 -1.051 0.000 2.535 562 K HA 0.538 4.858 4.320 0.000 0.000 0.251 562 K C -1.677 174.644 176.600 -0.465 0.000 0.942 562 K CA -0.726 55.007 56.287 -0.924 0.000 0.798 562 K CB 1.892 33.203 32.500 -1.980 0.000 1.267 562 K HN 0.413 nan 8.250 nan 0.000 0.434 563 L N 2.712 123.870 121.223 -0.109 0.000 2.307 563 L HA 0.656 4.996 4.340 0.000 0.000 0.282 563 L C -1.210 175.655 176.870 -0.009 0.000 1.051 563 L CA 0.448 55.325 54.840 0.061 0.000 0.804 563 L CB 1.561 43.706 42.059 0.143 0.000 1.197 563 L HN 0.671 nan 8.230 nan 0.000 0.431 564 S N 5.564 121.281 115.700 0.028 0.000 2.779 564 S HA 0.563 5.033 4.470 0.000 0.000 0.293 564 S C -2.676 171.934 174.600 0.016 0.000 1.150 564 S CA -0.981 57.226 58.200 0.012 0.000 1.057 564 S CB 1.402 64.614 63.200 0.020 0.000 1.021 564 S HN 0.460 nan 8.310 nan 0.000 0.485 565 P HA 0.392 nan 4.420 nan 0.000 0.274 565 P C -0.495 176.764 177.300 -0.068 0.000 1.231 565 P CA -0.278 62.822 63.100 -0.001 0.000 0.790 565 P CB 0.554 32.269 31.700 0.024 0.000 0.951 566 T N -0.353 114.182 114.554 -0.031 0.000 3.109 566 T HA 0.674 5.024 4.350 0.000 0.000 0.311 566 T C -0.984 173.719 174.700 0.006 0.000 1.011 566 T CA -0.624 61.438 62.100 -0.064 0.000 1.026 566 T CB 0.190 69.033 68.868 -0.042 0.000 1.047 566 T HN -0.023 nan 8.240 nan 0.000 0.448 567 L N 1.673 122.906 121.223 0.017 0.000 2.283 567 L HA 1.063 5.403 4.340 0.000 0.000 0.259 567 L C -0.165 176.756 176.870 0.086 0.000 1.027 567 L CA -0.837 54.050 54.840 0.078 0.000 0.828 567 L CB 1.976 44.109 42.059 0.123 0.000 1.380 567 L HN 1.233 nan 8.230 nan 0.000 0.425 568 A N 0.312 123.198 122.820 0.110 0.000 2.594 568 A HA 0.807 5.127 4.320 0.000 0.000 0.296 568 A C -2.029 175.641 177.584 0.144 0.000 1.056 568 A CA -0.515 51.604 52.037 0.136 0.000 0.693 568 A CB 1.532 20.599 19.000 0.111 0.000 1.278 568 A HN 0.363 nan 8.150 nan 0.000 0.408 569 V N 0.484 120.507 119.914 0.181 0.000 2.668 569 V HA 0.824 4.944 4.120 0.000 0.000 0.304 569 V C -0.092 176.127 176.094 0.208 0.000 1.071 569 V CA 0.137 62.538 62.300 0.168 0.000 0.894 569 V CB 1.684 33.607 31.823 0.167 0.000 1.008 569 V HN 1.979 nan 8.190 nan 0.000 0.425 570 A N 4.282 127.204 122.820 0.171 0.000 2.427 570 A HA 0.972 5.292 4.320 0.000 0.000 0.298 570 A C -1.006 176.681 177.584 0.173 0.000 1.036 570 A CA -0.514 51.649 52.037 0.211 0.000 0.701 570 A CB 2.083 21.191 19.000 0.179 0.000 1.250 570 A HN 1.785 nan 8.150 nan 0.000 0.412 571 V N 0.039 120.092 119.914 0.231 0.000 2.971 571 V HA 0.777 4.897 4.120 0.000 0.000 0.309 571 V C -0.653 175.624 176.094 0.304 0.000 1.130 571 V CA -1.127 61.351 62.300 0.297 0.000 0.964 571 V CB 1.776 33.816 31.823 0.363 0.000 1.029 571 V HN 0.941 nan 8.190 nan 0.000 0.427 572 R N 3.390 124.109 120.500 0.365 0.000 2.457 572 R HA 0.511 4.851 4.340 0.000 0.000 0.284 572 R C -2.016 174.394 176.300 0.184 0.000 1.024 572 R CA -1.450 54.804 56.100 0.256 0.000 1.025 572 R CB 1.411 31.856 30.300 0.241 0.000 1.063 572 R HN 0.566 nan 8.270 nan 0.000 0.493 573 P HA 0.008 nan 4.420 nan 0.000 0.209 573 P C 0.594 177.857 177.300 -0.062 0.000 1.203 573 P CA 0.911 64.029 63.100 0.030 0.000 0.916 573 P CB 0.320 32.042 31.700 0.036 0.000 0.763 574 G N -2.360 106.413 108.800 -0.045 0.000 4.250 574 G HA2 0.370 4.330 3.960 0.000 0.000 0.242 574 G HA3 0.370 4.330 3.960 0.000 0.000 0.242 574 G C -0.927 173.948 174.900 -0.042 0.000 1.075 574 G CA 0.196 45.239 45.100 -0.095 0.000 0.846 574 G HN 0.353 nan 8.290 nan 0.000 0.445 575 V N -0.352 119.577 119.914 0.025 0.000 3.087 575 V HA 0.460 4.580 4.120 0.000 0.000 0.306 575 V C 0.134 176.306 176.094 0.130 0.000 1.187 575 V CA -0.627 61.717 62.300 0.073 0.000 0.999 575 V CB 2.145 34.022 31.823 0.090 0.000 1.049 575 V HN 0.264 nan 8.190 nan 0.000 0.431 576 E N 4.453 124.729 120.200 0.126 0.000 2.478 576 E HA -0.123 4.227 4.350 0.000 0.000 0.198 576 E C 1.353 178.044 176.600 0.151 0.000 1.046 576 E CA 0.947 57.420 56.400 0.122 0.000 0.870 576 E CB 0.104 29.855 29.700 0.084 0.000 0.818 576 E HN 0.833 nan 8.360 nan 0.000 0.527 577 W N 1.969 123.280 121.300 0.019 0.000 2.290 577 W HA -0.193 4.467 4.660 0.000 0.000 0.328 577 W C 0.509 177.061 176.519 0.055 0.000 1.272 577 W CA 1.266 58.623 57.345 0.021 0.000 1.262 577 W CB -0.234 29.222 29.460 -0.006 0.000 1.151 577 W HN 0.092 nan 8.180 nan 0.000 0.473 578 L N 0.406 121.749 121.223 0.201 0.000 2.350 578 L HA 0.422 4.762 4.340 0.000 0.000 0.260 578 L C -0.836 176.143 176.870 0.183 0.000 1.015 578 L CA -0.643 54.285 54.840 0.146 0.000 0.821 578 L CB 2.073 44.288 42.059 0.261 0.000 1.370 578 L HN -0.022 nan 8.230 nan 0.000 0.416 579 E N 3.674 124.009 120.200 0.225 0.000 2.260 579 E HA 0.439 4.789 4.350 0.000 0.000 0.266 579 E C -1.941 174.871 176.600 0.354 0.000 0.887 579 E CA -0.655 55.896 56.400 0.251 0.000 0.777 579 E CB 1.653 31.477 29.700 0.207 0.000 1.205 579 E HN 0.641 nan 8.360 nan 0.000 0.414 580 L N 4.784 126.194 121.223 0.310 0.000 2.343 580 L HA 0.592 4.932 4.340 0.000 0.000 0.275 580 L C -0.556 176.531 176.870 0.362 0.000 1.056 580 L CA -0.911 54.115 54.840 0.310 0.000 0.804 580 L CB 0.736 42.912 42.059 0.195 0.000 1.203 580 L HN 0.598 nan 8.230 nan 0.000 0.440 581 Y N -0.494 119.916 120.300 0.184 0.000 2.656 581 Y HA 0.736 5.286 4.550 0.000 0.000 0.334 581 Y C -1.190 174.812 175.900 0.170 0.000 1.179 581 Y CA -0.957 57.236 58.100 0.156 0.000 1.050 581 Y CB 1.885 40.421 38.460 0.126 0.000 1.308 581 Y HN 0.365 nan 8.280 nan 0.000 0.456 582 T N 1.946 116.679 114.554 0.299 0.000 3.172 582 T HA 0.526 4.876 4.350 0.000 0.000 0.320 582 T C -1.090 173.800 174.700 0.317 0.000 1.085 582 T CA -0.602 61.648 62.100 0.250 0.000 1.052 582 T CB 1.377 70.393 68.868 0.247 0.000 1.107 582 T HN 0.964 nan 8.240 nan 0.000 0.458 583 T N 0.813 115.553 114.554 0.310 0.000 2.885 583 T HA 0.808 5.158 4.350 0.000 0.000 0.285 583 T C -1.238 173.553 174.700 0.153 0.000 1.019 583 T CA -0.889 61.342 62.100 0.217 0.000 1.010 583 T CB 1.961 70.939 68.868 0.183 0.000 1.022 583 T HN 0.630 nan 8.240 nan 0.000 0.466 584 Y N 0.407 120.610 120.300 -0.162 0.000 2.513 584 Y HA 0.664 5.214 4.550 0.000 0.000 0.340 584 Y C -0.433 175.284 175.900 -0.304 0.000 1.055 584 Y CA -0.250 57.578 58.100 -0.453 0.000 1.020 584 Y CB 1.700 39.532 38.460 -1.047 0.000 1.301 584 Y HN 1.265 nan 8.280 nan 0.000 0.453 585 G N 3.917 111.995 108.800 -1.204 0.000 2.550 585 G HA2 0.539 4.499 3.960 0.000 0.000 0.293 585 G HA3 0.539 4.499 3.960 0.000 0.000 0.293 585 G C -2.270 172.189 174.900 -0.735 0.000 1.402 585 G CA -1.312 43.234 45.100 -0.923 0.000 0.784 585 G HN 0.551 nan 8.290 nan 0.000 0.482 586 K N -0.503 119.661 120.400 -0.394 0.000 2.435 586 K HA 0.797 5.117 4.320 0.000 0.000 0.251 586 K C -0.531 176.025 176.600 -0.075 0.000 0.954 586 K CA -0.720 55.450 56.287 -0.195 0.000 0.820 586 K CB 2.423 34.854 32.500 -0.115 0.000 1.292 586 K HN 0.516 nan 8.250 nan 0.000 0.436 587 S N 0.312 116.013 115.700 0.001 0.000 2.851 587 S HA 0.731 5.201 4.470 0.000 0.000 0.313 587 S C -2.119 172.599 174.600 0.197 0.000 1.163 587 S CA -0.624 57.618 58.200 0.071 0.000 0.850 587 S CB 0.966 64.181 63.200 0.024 0.000 1.245 587 S HN 0.621 nan 8.310 nan 0.000 0.558 588 W N 2.341 123.609 121.300 -0.053 0.000 3.933 588 W HA 0.433 5.093 4.660 0.000 0.000 0.305 588 W C -1.723 174.737 176.519 -0.098 0.000 1.167 588 W CA -0.330 56.976 57.345 -0.065 0.000 1.329 588 W CB 0.405 29.828 29.460 -0.062 0.000 1.147 588 W HN 0.784 nan 8.180 nan 0.000 0.427 589 R N 5.284 125.491 120.500 -0.488 0.000 2.393 589 R HA 0.787 5.127 4.340 0.000 0.000 0.315 589 R C -2.756 172.942 176.300 -1.004 0.000 0.952 589 R CA -1.825 53.867 56.100 -0.680 0.000 0.842 589 R CB 2.006 32.083 30.300 -0.371 0.000 1.163 589 R HN 0.023 nan 8.270 nan 0.000 0.450 590 P HA 0.190 nan 4.420 nan 0.000 0.273 590 P C -2.493 174.292 177.300 -0.858 0.000 1.250 590 P CA -1.463 60.795 63.100 -1.404 0.000 0.793 590 P CB -0.064 30.234 31.700 -2.337 0.000 1.011 591 P HA 0.127 nan 4.420 nan 0.000 0.269 591 P C -0.512 176.526 177.300 -0.437 0.000 1.215 591 P CA 0.186 63.001 63.100 -0.474 0.000 0.780 591 P CB 0.196 31.700 31.700 -0.327 0.000 0.898 592 A N 2.048 124.557 122.820 -0.519 0.000 2.272 592 A HA 0.244 4.564 4.320 0.000 0.000 0.275 592 A C 1.285 178.657 177.584 -0.352 0.000 1.096 592 A CA -0.217 51.540 52.037 -0.467 0.000 0.822 592 A CB -0.394 18.144 19.000 -0.770 0.000 1.088 592 A HN 0.443 nan 8.150 nan 0.000 0.495 593 I N 0.535 120.965 120.570 -0.232 0.000 2.127 593 I HA -0.201 3.969 4.170 0.000 0.000 0.241 593 I C 2.556 178.561 176.117 -0.187 0.000 1.075 593 I CA 2.413 63.616 61.300 -0.161 0.000 1.334 593 I CB -1.060 36.880 38.000 -0.100 0.000 1.040 593 I HN 0.720 nan 8.210 nan 0.000 0.405 594 T N 0.935 115.366 114.554 -0.205 0.000 2.652 594 T HA -0.218 4.132 4.350 0.000 0.000 0.267 594 T C 1.548 176.038 174.700 -0.351 0.000 1.039 594 T CA 1.763 63.753 62.100 -0.184 0.000 1.153 594 T CB -0.570 68.266 68.868 -0.054 0.000 0.863 594 T HN 0.639 nan 8.240 nan 0.000 0.428 595 E N 0.442 120.191 120.200 -0.751 0.000 2.516 595 E HA -0.014 4.336 4.350 0.000 0.000 0.199 595 E C 1.234 177.607 176.600 -0.378 0.000 1.069 595 E CA 0.744 56.536 56.400 -1.013 0.000 0.876 595 E CB -0.197 28.617 29.700 -1.478 0.000 0.843 595 E HN 0.345 nan 8.360 nan 0.000 0.530 596 T N 0.335 114.737 114.554 -0.254 0.000 3.019 596 T HA 0.216 4.566 4.350 0.000 0.000 0.247 596 T C 1.518 176.189 174.700 -0.049 0.000 0.992 596 T CA -0.027 61.991 62.100 -0.136 0.000 1.036 596 T CB 0.225 68.998 68.868 -0.159 0.000 1.063 596 T HN 0.092 nan 8.240 nan 0.000 0.476 597 L N 0.968 122.169 121.223 -0.037 0.000 2.638 597 L HA 0.271 4.611 4.340 0.000 0.000 0.232 597 L C 1.234 178.142 176.870 0.063 0.000 1.099 597 L CA -0.053 54.802 54.840 0.024 0.000 0.883 597 L CB -0.129 41.937 42.059 0.011 0.000 1.136 597 L HN 0.153 nan 8.230 nan 0.000 0.492 598 T N 3.285 117.873 114.554 0.057 0.000 2.819 598 T HA -0.072 4.278 4.350 0.000 0.000 0.282 598 T C 0.151 174.901 174.700 0.082 0.000 1.013 598 T CA 0.440 62.589 62.100 0.082 0.000 1.159 598 T CB -0.252 68.709 68.868 0.155 0.000 1.007 598 T HN 0.567 nan 8.240 nan 0.000 0.514 599 N N 3.623 122.342 118.700 0.032 0.000 2.969 599 N HA 0.454 5.194 4.740 0.000 0.000 0.230 599 N C -0.433 175.039 175.510 -0.065 0.000 1.397 599 N CA -0.420 52.625 53.050 -0.008 0.000 0.762 599 N CB 0.921 39.449 38.487 0.068 0.000 1.495 599 N HN 0.847 nan 8.380 nan 0.000 0.583 600 G N 0.146 108.861 108.800 -0.142 0.000 2.348 600 G HA2 0.593 4.553 3.960 0.000 0.000 0.296 600 G HA3 0.593 4.553 3.960 0.000 0.000 0.296 600 G C -2.032 172.755 174.900 -0.188 0.000 1.258 600 G CA -0.326 44.689 45.100 -0.142 0.000 0.868 600 G HN 1.083 nan 8.290 nan 0.000 0.488 601 S N -1.619 113.985 115.700 -0.160 0.000 2.626 601 S HA 0.668 5.138 4.470 0.000 0.000 0.275 601 S C 0.658 175.170 174.600 -0.146 0.000 1.175 601 S CA 0.642 58.733 58.200 -0.181 0.000 0.982 601 S CB 1.364 64.446 63.200 -0.196 0.000 1.093 601 S HN 2.096 nan 8.310 nan 0.000 0.472 602 A N 2.229 124.985 122.820 -0.107 0.000 1.873 602 A HA 0.212 4.532 4.320 0.000 0.000 0.215 602 A C 0.849 178.493 177.584 0.099 0.000 1.186 602 A CA 1.837 53.893 52.037 0.032 0.000 0.616 602 A CB -1.017 18.072 19.000 0.147 0.000 0.823 602 A HN 1.204 nan 8.150 nan 0.000 0.442 603 H N -2.891 116.180 119.070 0.001 0.000 2.931 603 H HA 0.687 5.243 4.556 0.000 0.000 0.331 603 H C 0.091 175.417 175.328 -0.002 0.000 1.273 603 H CA -0.403 55.657 56.048 0.021 0.000 1.171 603 H CB 0.597 30.400 29.762 0.068 0.000 1.898 603 H HN 0.143 nan 8.280 nan 0.000 0.562 604 S N -0.429 115.335 115.700 0.107 0.000 2.608 604 S HA 0.224 4.694 4.470 0.000 0.000 0.261 604 S C 0.853 175.464 174.600 0.019 0.000 1.314 604 S CA -0.074 58.145 58.200 0.031 0.000 0.992 604 S CB 0.850 64.091 63.200 0.069 0.000 0.935 604 S HN 1.372 nan 8.310 nan 0.000 0.564 605 S N -0.848 114.852 115.700 0.000 0.000 3.382 605 S HA -0.183 4.287 4.470 0.000 0.000 0.293 605 S C -0.112 174.447 174.600 -0.068 0.000 1.262 605 S CA 0.965 59.168 58.200 0.005 0.000 0.969 605 S CB -1.695 61.547 63.200 0.070 0.000 1.136 605 S HN 1.862 nan 8.310 nan 0.000 0.635 606 S N -0.477 115.122 115.700 -0.169 0.000 2.582 606 S HA 0.590 5.060 4.470 0.000 0.000 0.287 606 S C -0.932 173.523 174.600 -0.241 0.000 1.146 606 S CA 0.371 58.436 58.200 -0.226 0.000 0.941 606 S CB 1.923 64.917 63.200 -0.343 0.000 1.115 606 S HN 0.418 nan 8.310 nan 0.000 0.458 607 T N 4.310 118.757 114.554 -0.178 0.000 2.952 607 T HA 0.457 4.807 4.350 0.000 0.000 0.305 607 T C -1.268 173.233 174.700 -0.332 0.000 1.064 607 T CA -0.594 61.344 62.100 -0.270 0.000 1.008 607 T CB 1.775 70.467 68.868 -0.293 0.000 1.078 607 T HN 0.657 nan 8.240 nan 0.000 0.459 608 Q N 1.837 121.416 119.800 -0.369 0.000 2.241 608 Q HA 0.555 4.895 4.340 0.000 0.000 0.254 608 Q C -1.276 174.515 176.000 -0.348 0.000 0.917 608 Q CA -0.638 55.010 55.803 -0.259 0.000 0.919 608 Q CB 1.609 30.269 28.738 -0.130 0.000 1.237 608 Q HN 0.601 nan 8.270 nan 0.000 0.434 609 Y N 0.911 121.252 120.300 0.068 0.000 2.562 609 Y HA 0.435 4.985 4.550 0.000 0.000 0.343 609 Y C -2.167 173.880 175.900 0.245 0.000 1.025 609 Y CA -2.606 55.625 58.100 0.219 0.000 1.082 609 Y CB 1.322 40.044 38.460 0.438 0.000 1.264 609 Y HN 0.530 nan 8.280 nan 0.000 0.478 610 P HA 0.171 nan 4.420 nan 0.000 0.276 610 P C -0.865 176.669 177.300 0.391 0.000 1.252 610 P CA -0.410 62.882 63.100 0.320 0.000 0.802 610 P CB 0.660 32.516 31.700 0.260 0.000 1.035 611 N N 0.850 119.681 118.700 0.219 0.000 2.707 611 N HA 0.256 4.996 4.740 0.000 0.000 0.249 611 N C -2.534 172.987 175.510 0.019 0.000 1.299 611 N CA -2.003 51.185 53.050 0.230 0.000 0.769 611 N CB 0.485 39.143 38.487 0.285 0.000 1.236 611 N HN 0.048 nan 8.380 nan 0.000 0.524 612 P HA 0.249 nan 4.420 nan 0.000 0.258 612 P C -0.436 176.371 177.300 -0.821 0.000 1.403 612 P CA 0.446 63.223 63.100 -0.538 0.000 0.826 612 P CB -0.458 30.680 31.700 -0.937 0.000 1.414 613 F N -2.363 117.484 119.950 -0.173 0.000 2.936 613 F HA 0.214 4.741 4.527 0.000 0.000 0.334 613 F C 0.689 176.461 175.800 -0.047 0.000 1.170 613 F CA -0.497 57.434 58.000 -0.114 0.000 1.104 613 F CB 0.240 39.153 39.000 -0.145 0.000 1.216 613 F HN -0.253 nan 8.300 nan 0.000 0.518 614 L N 3.266 124.528 121.223 0.066 0.000 2.513 614 L HA 0.048 4.388 4.340 0.000 0.000 0.272 614 L C 0.573 177.447 176.870 0.007 0.000 1.187 614 L CA 0.183 55.040 54.840 0.029 0.000 0.895 614 L CB 0.548 42.578 42.059 -0.049 0.000 1.147 614 L HN 0.327 nan 8.230 nan 0.000 0.483 615 Q N 4.602 124.419 119.800 0.028 0.000 2.259 615 Q HA 0.468 4.808 4.340 0.000 0.000 0.249 615 Q C -2.556 173.419 176.000 -0.042 0.000 0.914 615 Q CA -2.228 53.593 55.803 0.030 0.000 0.904 615 Q CB 0.751 29.533 28.738 0.073 0.000 1.213 615 Q HN 0.310 nan 8.270 nan 0.000 0.428 616 P HA -0.050 nan 4.420 nan 0.000 0.269 616 P C -1.014 176.200 177.300 -0.144 0.000 1.215 616 P CA -0.054 62.881 63.100 -0.275 0.000 0.780 616 P CB 0.457 31.899 31.700 -0.430 0.000 0.898 617 E N 2.066 122.136 120.200 -0.217 0.000 2.283 617 E HA 0.422 4.772 4.350 0.000 0.000 0.278 617 E C -0.206 176.416 176.600 0.036 0.000 1.027 617 E CA -0.891 55.481 56.400 -0.048 0.000 0.843 617 E CB 1.184 30.861 29.700 -0.039 0.000 1.062 617 E HN 0.218 nan 8.360 nan 0.000 0.401 618 R N 1.542 122.129 120.500 0.145 0.000 2.589 618 R HA 0.342 4.682 4.340 0.000 0.000 0.293 618 R C -0.827 175.563 176.300 0.151 0.000 0.963 618 R CA -0.440 55.779 56.100 0.197 0.000 0.905 618 R CB 1.974 32.402 30.300 0.214 0.000 1.144 618 R HN 0.855 nan 8.270 nan 0.000 0.459 619 S N 2.795 118.571 115.700 0.127 0.000 2.638 619 S HA 0.699 5.169 4.470 0.000 0.000 0.302 619 S C -0.678 173.957 174.600 0.057 0.000 1.096 619 S CA -0.923 57.337 58.200 0.101 0.000 0.953 619 S CB 2.751 65.999 63.200 0.079 0.000 1.107 619 S HN 0.523 nan 8.310 nan 0.000 0.503 620 R N 0.741 121.279 120.500 0.063 0.000 2.518 620 R HA 0.636 4.976 4.340 0.000 0.000 0.287 620 R C -2.033 174.302 176.300 0.057 0.000 1.135 620 R CA -0.315 55.803 56.100 0.031 0.000 0.967 620 R CB 1.298 31.694 30.300 0.160 0.000 1.212 620 R HN 1.049 nan 8.270 nan 0.000 0.422 621 A N 4.593 127.356 122.820 -0.094 0.000 2.353 621 A HA 0.681 5.001 4.320 0.000 0.000 0.299 621 A C -1.696 175.890 177.584 0.003 0.000 1.089 621 A CA -0.626 51.421 52.037 0.016 0.000 0.736 621 A CB 0.702 19.694 19.000 -0.014 0.000 1.195 621 A HN 0.655 nan 8.150 nan 0.000 0.447 622 W N 0.692 122.123 121.300 0.218 0.000 2.516 622 W HA 0.680 5.340 4.660 0.000 0.000 0.343 622 W C 0.489 177.105 176.519 0.162 0.000 1.094 622 W CA 0.066 57.561 57.345 0.251 0.000 1.250 622 W CB 1.405 30.998 29.460 0.222 0.000 1.308 622 W HN 0.768 nan 8.180 nan 0.000 0.588 623 E N 1.007 121.468 120.200 0.434 0.000 2.363 623 E HA 0.521 4.871 4.350 0.000 0.000 0.281 623 E C -2.218 174.528 176.600 0.243 0.000 0.953 623 E CA -0.773 55.802 56.400 0.292 0.000 0.778 623 E CB 2.512 32.352 29.700 0.232 0.000 1.220 623 E HN 0.272 nan 8.360 nan 0.000 0.431 624 V N 2.937 122.933 119.914 0.137 0.000 2.711 624 V HA 0.928 5.048 4.120 0.000 0.000 0.304 624 V C -0.695 175.277 176.094 -0.203 0.000 1.097 624 V CA 0.564 62.838 62.300 -0.044 0.000 0.906 624 V CB 1.386 33.253 31.823 0.072 0.000 1.015 624 V HN 0.797 nan 8.190 nan 0.000 0.427 625 G N 4.760 113.167 108.800 -0.656 0.000 2.706 625 G HA2 0.846 4.807 3.960 0.000 0.000 0.307 625 G HA3 0.846 4.807 3.960 0.000 0.000 0.307 625 G C -1.483 173.205 174.900 -0.353 0.000 1.307 625 G CA -0.099 44.697 45.100 -0.507 0.000 0.790 625 G HN 1.650 nan 8.290 nan 0.000 0.503 626 F N -0.859 119.095 119.950 0.008 0.000 2.693 626 F HA 0.728 5.255 4.527 0.000 0.000 0.309 626 F C -1.078 174.891 175.800 0.281 0.000 1.129 626 F CA -1.369 56.765 58.000 0.223 0.000 0.948 626 F CB 1.504 40.580 39.000 0.126 0.000 1.315 626 F HN 0.695 nan 8.300 nan 0.000 0.447 627 N N 0.681 119.649 118.700 0.447 0.000 2.242 627 N HA 0.680 5.420 4.740 0.000 0.000 0.292 627 N C -2.220 173.438 175.510 0.247 0.000 1.125 627 N CA -0.992 52.223 53.050 0.275 0.000 0.783 627 N CB 2.999 41.605 38.487 0.199 0.000 1.558 627 N HN 0.508 nan 8.380 nan 0.000 0.472 628 V N 0.910 120.898 119.914 0.124 0.000 2.459 628 V HA 0.314 4.434 4.120 0.000 0.000 0.295 628 V C -0.506 175.478 176.094 -0.182 0.000 1.029 628 V CA -0.479 61.759 62.300 -0.105 0.000 0.874 628 V CB 1.271 32.973 31.823 -0.202 0.000 0.985 628 V HN 0.705 nan 8.190 nan 0.000 0.438 629 Q N 3.583 123.252 119.800 -0.217 0.000 2.616 629 Q HA 0.432 4.772 4.340 0.000 0.000 0.250 629 Q C -1.095 174.783 176.000 -0.203 0.000 0.991 629 Q CA -0.447 55.244 55.803 -0.186 0.000 0.707 629 Q CB 2.027 30.716 28.738 -0.082 0.000 1.247 629 Q HN 0.649 nan 8.270 nan 0.000 0.491 630 Q N 2.897 122.544 119.800 -0.255 0.000 2.401 630 Q HA 0.394 4.734 4.340 0.000 0.000 0.260 630 Q C -2.706 173.264 176.000 -0.051 0.000 1.034 630 Q CA -2.066 53.639 55.803 -0.163 0.000 0.737 630 Q CB 1.391 29.944 28.738 -0.308 0.000 1.227 630 Q HN 0.203 nan 8.270 nan 0.000 0.488 631 P HA 0.162 nan 4.420 nan 0.000 0.272 631 P C -1.024 176.309 177.300 0.056 0.000 1.230 631 P CA 0.048 63.160 63.100 0.020 0.000 0.788 631 P CB 0.512 32.221 31.700 0.014 0.000 0.949 632 D N -0.105 120.344 120.400 0.082 0.000 3.133 632 D HA -0.154 4.486 4.640 0.000 0.000 0.239 632 D C 0.235 176.589 176.300 0.089 0.000 1.136 632 D CA 0.525 54.585 54.000 0.101 0.000 0.898 632 D CB -0.835 40.006 40.800 0.068 0.000 0.959 632 D HN 0.210 nan 8.370 nan 0.000 0.415 633 L N -0.978 120.326 121.223 0.136 0.000 2.488 633 L HA 0.273 4.613 4.340 0.000 0.000 0.186 633 L C 1.685 178.435 176.870 -0.201 0.000 1.124 633 L CA 1.095 55.922 54.840 -0.020 0.000 0.838 633 L CB -0.137 41.933 42.059 0.018 0.000 1.107 633 L HN 0.316 nan 8.230 nan 0.000 0.494 634 W N -1.718 119.661 121.300 0.132 0.000 2.699 634 W HA 0.300 4.960 4.660 0.000 0.000 0.265 634 W C 0.362 176.641 176.519 -0.399 0.000 1.210 634 W CA -0.240 57.023 57.345 -0.137 0.000 1.414 634 W CB 0.095 29.497 29.460 -0.098 0.000 1.043 634 W HN -0.124 nan 8.180 nan 0.000 0.599 635 F N -0.220 119.957 119.950 0.378 0.000 2.679 635 F HA 0.289 4.816 4.527 0.000 0.000 0.341 635 F C 0.134 176.027 175.800 0.154 0.000 1.095 635 F CA -1.619 56.522 58.000 0.234 0.000 1.004 635 F CB 0.595 39.732 39.000 0.229 0.000 1.388 635 F HN -0.451 nan 8.300 nan 0.000 0.505 636 E N 0.183 120.582 120.200 0.331 0.000 2.194 636 E HA 0.429 4.779 4.350 0.000 0.000 0.284 636 E C 0.574 177.264 176.600 0.149 0.000 1.035 636 E CA 0.597 57.108 56.400 0.184 0.000 0.836 636 E CB 0.553 30.336 29.700 0.139 0.000 1.070 636 E HN 0.820 nan 8.360 nan 0.000 0.401 637 G N 4.316 113.181 108.800 0.108 0.000 2.194 637 G HA2 -0.257 3.703 3.960 0.000 0.000 0.236 637 G HA3 -0.257 3.703 3.960 0.000 0.000 0.236 637 G C 0.090 175.018 174.900 0.047 0.000 0.987 637 G CA 0.222 45.360 45.100 0.063 0.000 0.635 637 G HN 0.754 nan 8.290 nan 0.000 0.520 638 D N 0.132 120.587 120.400 0.092 0.000 2.414 638 D HA 0.664 5.304 4.640 0.000 0.000 0.259 638 D C 0.542 176.849 176.300 0.011 0.000 1.269 638 D CA 0.192 54.211 54.000 0.032 0.000 1.028 638 D CB 0.665 41.545 40.800 0.134 0.000 1.093 638 D HN 0.944 nan 8.370 nan 0.000 0.545 639 R N -1.196 119.259 120.500 -0.075 0.000 2.594 639 R HA 0.552 4.892 4.340 0.000 0.000 0.265 639 R C -1.825 174.478 176.300 0.005 0.000 1.070 639 R CA -0.960 55.123 56.100 -0.029 0.000 0.909 639 R CB 0.648 30.903 30.300 -0.074 0.000 1.243 639 R HN 0.446 nan 8.270 nan 0.000 0.455 640 L N 3.181 124.453 121.223 0.080 0.000 2.365 640 L HA 0.851 5.191 4.340 0.000 0.000 0.273 640 L C -1.307 175.498 176.870 -0.108 0.000 1.000 640 L CA -0.993 53.927 54.840 0.134 0.000 0.819 640 L CB 1.994 44.186 42.059 0.222 0.000 1.284 640 L HN 0.679 nan 8.230 nan 0.000 0.418 641 V N 4.168 123.971 119.914 -0.185 0.000 2.851 641 V HA 0.927 5.047 4.120 0.000 0.000 0.307 641 V C -0.951 174.914 176.094 -0.381 0.000 1.129 641 V CA -0.008 62.029 62.300 -0.438 0.000 0.932 641 V CB 1.968 33.322 31.823 -0.781 0.000 1.024 641 V HN 1.117 nan 8.190 nan 0.000 0.426 642 A N 5.273 127.960 122.820 -0.222 0.000 2.609 642 A HA 0.948 5.269 4.320 0.000 0.000 0.291 642 A C -1.241 176.478 177.584 0.225 0.000 1.096 642 A CA -0.731 51.344 52.037 0.064 0.000 0.684 642 A CB 2.234 21.291 19.000 0.095 0.000 1.282 642 A HN 0.838 nan 8.150 nan 0.000 0.412 643 K N 0.903 121.400 120.400 0.162 0.000 2.616 643 K HA 0.569 4.889 4.320 0.000 0.000 0.255 643 K C -2.148 174.349 176.600 -0.172 0.000 0.995 643 K CA -0.337 55.947 56.287 -0.004 0.000 0.860 643 K CB 1.900 34.407 32.500 0.013 0.000 1.264 643 K HN 0.587 nan 8.250 nan 0.000 0.451 644 V N 2.513 122.121 119.914 -0.509 0.000 2.540 644 V HA 0.861 4.981 4.120 0.000 0.000 0.302 644 V C -0.570 175.267 176.094 -0.428 0.000 1.035 644 V CA -0.678 61.308 62.300 -0.523 0.000 0.873 644 V CB 1.345 32.790 31.823 -0.631 0.000 0.992 644 V HN 0.900 nan 8.190 nan 0.000 0.428 645 A N 3.866 126.545 122.820 -0.235 0.000 2.556 645 A HA 0.878 5.198 4.320 0.000 0.000 0.294 645 A C -1.952 175.649 177.584 0.029 0.000 1.091 645 A CA -0.639 51.353 52.037 -0.074 0.000 0.704 645 A CB 1.870 20.901 19.000 0.051 0.000 1.300 645 A HN 0.997 nan 8.150 nan 0.000 0.406 646 Y N 1.382 121.655 120.300 -0.046 0.000 2.338 646 Y HA 0.642 5.192 4.550 0.000 0.000 0.333 646 Y C -1.129 174.796 175.900 0.041 0.000 0.968 646 Y CA -1.187 56.868 58.100 -0.076 0.000 1.123 646 Y CB 1.188 39.587 38.460 -0.102 0.000 1.165 646 Y HN 0.759 nan 8.280 nan 0.000 0.452 647 F N 2.800 122.419 119.950 -0.553 0.000 2.523 647 F HA 0.745 5.272 4.527 0.000 0.000 0.329 647 F C -1.188 174.297 175.800 -0.526 0.000 1.061 647 F CA -1.153 56.625 58.000 -0.370 0.000 0.967 647 F CB 1.716 40.606 39.000 -0.183 0.000 1.218 647 F HN 0.363 nan 8.300 nan 0.000 0.480 648 D N 0.994 121.391 120.400 -0.006 0.000 2.351 648 D HA 0.211 4.851 4.640 0.000 0.000 0.235 648 D C -1.563 174.862 176.300 0.208 0.000 1.331 648 D CA -0.107 53.910 54.000 0.028 0.000 0.959 648 D CB 1.383 42.206 40.800 0.039 0.000 1.432 648 D HN 0.648 nan 8.370 nan 0.000 0.544 649 T N 3.128 117.828 114.554 0.243 0.000 2.770 649 T HA 0.323 4.673 4.350 0.000 0.000 0.297 649 T C 0.017 174.863 174.700 0.243 0.000 0.997 649 T CA -0.570 61.664 62.100 0.224 0.000 0.949 649 T CB 1.251 70.227 68.868 0.180 0.000 0.941 649 T HN 0.161 nan 8.240 nan 0.000 0.457 650 K N 3.479 123.996 120.400 0.196 0.000 2.213 650 K HA 0.591 4.911 4.320 0.000 0.000 0.270 650 K C -1.151 175.549 176.600 0.167 0.000 1.002 650 K CA -0.567 55.814 56.287 0.158 0.000 0.868 650 K CB 0.715 33.301 32.500 0.143 0.000 1.093 650 K HN 0.336 nan 8.250 nan 0.000 0.454 651 V N 3.883 123.900 119.914 0.171 0.000 2.540 651 V HA 0.270 4.390 4.120 0.000 0.000 0.302 651 V C -0.911 175.294 176.094 0.184 0.000 1.035 651 V CA -0.980 61.445 62.300 0.209 0.000 0.873 651 V CB 1.754 33.780 31.823 0.338 0.000 0.992 651 V HN 0.967 nan 8.190 nan 0.000 0.428 652 D N 2.389 122.895 120.400 0.176 0.000 2.269 652 D HA 0.504 5.144 4.640 0.000 0.000 0.244 652 D C 0.108 176.509 176.300 0.168 0.000 0.992 652 D CA -0.851 53.242 54.000 0.156 0.000 0.894 652 D CB 1.045 41.915 40.800 0.116 0.000 1.248 652 D HN 0.345 nan 8.370 nan 0.000 0.468 653 N N -1.404 117.390 118.700 0.157 0.000 2.967 653 N HA -0.226 4.514 4.740 0.000 0.000 0.241 653 N C -0.978 174.629 175.510 0.162 0.000 0.983 653 N CA 0.201 53.329 53.050 0.131 0.000 0.918 653 N CB -2.308 36.231 38.487 0.086 0.000 1.109 653 N HN 0.621 nan 8.380 nan 0.000 0.567 654 Y N 2.755 123.111 120.300 0.093 0.000 2.857 654 Y HA -0.069 4.481 4.550 0.000 0.000 0.373 654 Y C 1.466 177.444 175.900 0.130 0.000 1.346 654 Y CA -0.145 58.020 58.100 0.109 0.000 1.736 654 Y CB 0.112 38.660 38.460 0.148 0.000 1.236 654 Y HN 0.137 nan 8.280 nan 0.000 0.507 655 I N 4.677 125.188 120.570 -0.098 0.000 2.618 655 I HA 0.192 4.362 4.170 0.000 0.000 0.284 655 I C -0.888 175.237 176.117 0.014 0.000 1.146 655 I CA 0.026 61.318 61.300 -0.014 0.000 1.425 655 I CB 0.625 38.564 38.000 -0.102 0.000 1.383 655 I HN 0.579 nan 8.210 nan 0.000 0.562 656 N N 6.079 124.845 118.700 0.110 0.000 2.262 656 N HA 0.400 5.140 4.740 0.000 0.000 0.295 656 N C -1.099 174.376 175.510 -0.058 0.000 1.161 656 N CA -0.649 52.386 53.050 -0.024 0.000 0.767 656 N CB 2.837 41.085 38.487 -0.399 0.000 1.499 656 N HN 0.720 nan 8.380 nan 0.000 0.476 657 L N 1.876 122.972 121.223 -0.211 0.000 2.363 657 L HA 0.421 4.761 4.340 0.000 0.000 0.286 657 L C -0.225 176.483 176.870 -0.270 0.000 1.106 657 L CA -0.262 54.246 54.840 -0.553 0.000 0.859 657 L CB -0.101 41.596 42.059 -0.603 0.000 1.223 657 L HN 0.568 nan 8.230 nan 0.000 0.446 658 A N 6.636 129.314 122.820 -0.237 0.000 2.317 658 A HA 0.606 4.926 4.320 0.000 0.000 0.327 658 A C -0.079 177.391 177.584 -0.190 0.000 1.178 658 A CA -0.790 51.181 52.037 -0.110 0.000 0.817 658 A CB 0.874 19.944 19.000 0.115 0.000 1.189 658 A HN 0.793 nan 8.150 nan 0.000 0.489 659 I N -1.137 119.330 120.570 -0.172 0.000 3.640 659 I HA 0.609 4.779 4.170 0.000 0.000 0.288 659 I C 0.489 176.533 176.117 -0.122 0.000 1.248 659 I CA -0.225 60.938 61.300 -0.228 0.000 0.911 659 I CB 0.369 38.169 38.000 -0.334 0.000 1.533 659 I HN 0.649 nan 8.210 nan 0.000 0.686 660 D N 0.524 120.865 120.400 -0.100 0.000 2.772 660 D HA -0.156 4.484 4.640 0.000 0.000 0.233 660 D C -0.479 175.820 176.300 -0.003 0.000 1.143 660 D CA 0.625 54.606 54.000 -0.032 0.000 0.700 660 D CB -0.363 40.429 40.800 -0.012 0.000 1.076 660 D HN 0.498 nan 8.370 nan 0.000 0.430 661 R N 0.617 121.090 120.500 -0.045 0.000 2.500 661 R HA 0.575 4.915 4.340 0.000 0.000 0.277 661 R C 0.386 176.778 176.300 0.153 0.000 1.026 661 R CA -0.582 55.509 56.100 -0.015 0.000 1.058 661 R CB 0.764 30.820 30.300 -0.408 0.000 1.078 661 R HN 0.376 nan 8.270 nan 0.000 0.509 662 N N 0.645 119.546 118.700 0.335 0.000 2.448 662 N HA 0.178 4.918 4.740 0.000 0.000 0.279 662 N C -0.780 174.855 175.510 0.208 0.000 1.025 662 N CA -0.832 52.361 53.050 0.238 0.000 0.898 662 N CB 1.165 39.717 38.487 0.108 0.000 1.303 662 N HN 0.291 nan 8.380 nan 0.000 0.495 663 K N 1.227 121.647 120.400 0.032 0.000 2.285 663 K HA 0.237 4.557 4.320 0.000 0.000 0.255 663 K C -2.271 174.116 176.600 -0.356 0.000 1.000 663 K CA -1.108 54.969 56.287 -0.349 0.000 0.887 663 K CB -0.423 31.878 32.500 -0.332 0.000 0.997 663 K HN 0.299 nan 8.250 nan 0.000 0.510 664 P HA 0.054 nan 4.420 nan 0.000 0.272 664 P C 0.272 177.331 177.300 -0.401 0.000 1.254 664 P CA 0.451 63.183 63.100 -0.613 0.000 0.795 664 P CB 0.351 31.411 31.700 -1.068 0.000 1.022 665 G N -1.500 107.151 108.800 -0.248 0.000 2.472 665 G HA2 -0.138 3.822 3.960 0.000 0.000 0.205 665 G HA3 -0.138 3.822 3.960 0.000 0.000 0.205 665 G C -0.930 173.960 174.900 -0.016 0.000 1.270 665 G CA -0.698 44.444 45.100 0.069 0.000 0.974 665 G HN 0.538 nan 8.290 nan 0.000 0.542 666 L N 0.049 121.271 121.223 -0.001 0.000 2.473 666 L HA 0.410 4.750 4.340 0.000 0.000 0.268 666 L C 1.356 178.221 176.870 -0.009 0.000 1.215 666 L CA -0.825 53.980 54.840 -0.058 0.000 0.823 666 L CB 0.431 42.459 42.059 -0.052 0.000 1.099 666 L HN 0.452 nan 8.230 nan 0.000 0.483 667 V N 1.837 121.755 119.914 0.006 0.000 2.458 667 V HA -0.021 4.099 4.120 0.000 0.000 0.287 667 V C 0.313 176.431 176.094 0.041 0.000 1.009 667 V CA 0.473 62.787 62.300 0.023 0.000 1.091 667 V CB 0.308 32.156 31.823 0.041 0.000 0.960 667 V HN 0.769 nan 8.190 nan 0.000 0.476 668 Q N 5.875 125.693 119.800 0.030 0.000 3.550 668 Q HA 0.324 4.664 4.340 0.000 0.000 0.206 668 Q C -2.664 173.357 176.000 0.036 0.000 0.891 668 Q CA -1.359 54.467 55.803 0.038 0.000 0.737 668 Q CB 1.631 30.396 28.738 0.046 0.000 1.417 668 Q HN 0.595 nan 8.270 nan 0.000 0.460 669 P HA 0.075 nan 4.420 nan 0.000 0.264 669 P C -1.115 176.206 177.300 0.036 0.000 1.193 669 P CA 0.191 63.309 63.100 0.030 0.000 0.763 669 P CB 1.043 32.756 31.700 0.022 0.000 0.810 670 S N 2.775 118.499 115.700 0.040 0.000 2.614 670 S HA 0.230 4.700 4.470 0.000 0.000 0.259 670 S C 0.953 175.570 174.600 0.028 0.000 1.118 670 S CA -0.571 57.654 58.200 0.042 0.000 1.065 670 S CB 0.036 63.275 63.200 0.065 0.000 1.121 670 S HN 0.160 nan 8.310 nan 0.000 0.458 671 I N 3.547 124.123 120.570 0.010 0.000 2.286 671 I HA -0.036 4.134 4.170 0.000 0.000 0.248 671 I C 2.532 178.619 176.117 -0.050 0.000 1.115 671 I CA 1.855 63.144 61.300 -0.018 0.000 1.392 671 I CB -1.558 36.431 38.000 -0.019 0.000 1.065 671 I HN 0.782 nan 8.210 nan 0.000 0.418 672 G N 1.174 109.953 108.800 -0.035 0.000 2.535 672 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 672 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 672 G C 0.731 175.603 174.900 -0.048 0.000 1.122 672 G CA 0.085 45.144 45.100 -0.068 0.000 0.769 672 G HN 0.341 nan 8.290 nan 0.000 0.549 673 N N 1.380 120.096 118.700 0.026 0.000 2.406 673 N HA 0.472 5.212 4.740 0.000 0.000 0.265 673 N C -0.072 175.415 175.510 -0.039 0.000 1.203 673 N CA 0.248 53.371 53.050 0.121 0.000 0.945 673 N CB 1.159 39.726 38.487 0.133 0.000 1.165 673 N HN 0.284 nan 8.380 nan 0.000 0.485 674 A N 1.182 123.967 122.820 -0.059 0.000 2.374 674 A HA 0.951 5.271 4.320 0.000 0.000 0.317 674 A C -0.772 176.646 177.584 -0.277 0.000 1.094 674 A CA -0.584 51.310 52.037 -0.240 0.000 0.765 674 A CB 1.456 20.270 19.000 -0.311 0.000 1.268 674 A HN 0.627 nan 8.150 nan 0.000 0.438 675 A N 0.265 122.814 122.820 -0.451 0.000 2.605 675 A HA 0.635 4.955 4.320 0.000 0.000 0.294 675 A C -1.737 175.601 177.584 -0.409 0.000 1.062 675 A CA -0.600 51.169 52.037 -0.448 0.000 0.682 675 A CB 0.403 18.910 19.000 -0.821 0.000 1.278 675 A HN 0.826 nan 8.150 nan 0.000 0.410 676 Y N 0.530 120.724 120.300 -0.177 0.000 2.377 676 Y HA 0.442 4.992 4.550 0.000 0.000 0.330 676 Y C 0.805 176.647 175.900 -0.096 0.000 1.108 676 Y CA 0.363 58.394 58.100 -0.115 0.000 1.308 676 Y CB 1.218 39.611 38.460 -0.112 0.000 1.216 676 Y HN 0.722 nan 8.280 nan 0.000 0.518 677 V N -0.201 119.780 119.914 0.112 0.000 3.007 677 V HA 0.511 4.631 4.120 0.000 0.000 0.311 677 V C -0.790 175.407 176.094 0.172 0.000 1.120 677 V CA -1.706 60.667 62.300 0.121 0.000 0.980 677 V CB 1.955 33.834 31.823 0.094 0.000 1.033 677 V HN 0.717 nan 8.190 nan 0.000 0.429 678 N N 2.861 121.637 118.700 0.126 0.000 2.452 678 N HA 0.166 4.906 4.740 0.000 0.000 0.266 678 N C -0.153 175.429 175.510 0.121 0.000 1.175 678 N CA -0.160 52.961 53.050 0.119 0.000 0.945 678 N CB 0.219 38.753 38.487 0.078 0.000 1.063 678 N HN 0.810 nan 8.380 nan 0.000 0.472 679 N N 2.593 121.418 118.700 0.208 0.000 2.447 679 N HA -0.023 4.717 4.740 0.000 0.000 0.263 679 N C 0.588 176.110 175.510 0.020 0.000 1.226 679 N CA 0.242 53.358 53.050 0.110 0.000 0.906 679 N CB 0.566 39.245 38.487 0.320 0.000 1.060 679 N HN 0.491 nan 8.380 nan 0.000 0.468 680 L N 0.887 122.058 121.223 -0.087 0.000 2.395 680 L HA 0.059 4.399 4.340 0.000 0.000 0.218 680 L C 0.893 177.743 176.870 -0.033 0.000 1.130 680 L CA 0.378 55.183 54.840 -0.058 0.000 0.826 680 L CB -0.239 41.759 42.059 -0.101 0.000 0.941 680 L HN 0.347 nan 8.230 nan 0.000 0.451 681 S N -0.668 115.011 115.700 -0.035 0.000 2.693 681 S HA 0.320 4.790 4.470 0.000 0.000 0.276 681 S C 0.096 174.708 174.600 0.019 0.000 1.192 681 S CA -0.754 57.437 58.200 -0.015 0.000 0.994 681 S CB 1.175 64.357 63.200 -0.030 0.000 1.012 681 S HN -0.012 nan 8.310 nan 0.000 0.550 682 K N 2.283 122.687 120.400 0.008 0.000 2.276 682 K HA 0.271 4.591 4.320 0.000 0.000 0.283 682 K C -0.475 176.099 176.600 -0.042 0.000 1.044 682 K CA 0.017 56.310 56.287 0.010 0.000 0.944 682 K CB 0.685 33.192 32.500 0.011 0.000 1.012 682 K HN 0.476 nan 8.250 nan 0.000 0.472 683 T N 4.788 119.305 114.554 -0.061 0.000 2.832 683 T HA 0.257 4.607 4.350 0.000 0.000 0.313 683 T C 0.249 174.747 174.700 -0.338 0.000 1.035 683 T CA -0.730 61.214 62.100 -0.260 0.000 0.950 683 T CB 0.241 68.884 68.868 -0.374 0.000 0.984 683 T HN 0.436 nan 8.240 nan 0.000 0.486 684 R N 2.102 122.343 120.500 -0.431 0.000 2.637 684 R HA 0.692 5.032 4.340 0.000 0.000 0.291 684 R C -1.548 174.403 176.300 -0.582 0.000 0.963 684 R CA -0.868 55.037 56.100 -0.324 0.000 0.901 684 R CB 1.215 31.456 30.300 -0.099 0.000 1.160 684 R HN 0.315 nan 8.270 nan 0.000 0.457 685 F N 2.610 122.546 119.950 -0.023 0.000 2.427 685 F HA 0.510 5.037 4.527 0.000 0.000 0.348 685 F C 0.187 176.053 175.800 0.111 0.000 1.125 685 F CA -0.814 57.203 58.000 0.028 0.000 0.989 685 F CB 1.663 40.673 39.000 0.017 0.000 1.165 685 F HN 0.519 nan 8.300 nan 0.000 0.442 686 R N 1.809 122.361 120.500 0.088 0.000 2.774 686 R HA 0.996 5.336 4.340 0.000 0.000 0.272 686 R C -0.801 175.068 176.300 -0.718 0.000 1.000 686 R CA -1.368 54.489 56.100 -0.405 0.000 0.906 686 R CB 2.345 32.460 30.300 -0.307 0.000 1.227 686 R HN 0.794 nan 8.270 nan 0.000 0.468 687 G N 0.810 108.660 108.800 -1.583 0.000 2.320 687 G HA2 0.361 4.321 3.960 0.000 0.000 0.296 687 G HA3 0.361 4.321 3.960 0.000 0.000 0.296 687 G C -1.921 172.563 174.900 -0.693 0.000 1.306 687 G CA -1.064 43.541 45.100 -0.825 0.000 0.836 687 G HN 0.377 nan 8.290 nan 0.000 0.517 688 L N 0.017 121.219 121.223 -0.036 0.000 2.342 688 L HA 0.683 5.023 4.340 0.000 0.000 0.271 688 L C -0.341 176.549 176.870 0.033 0.000 1.008 688 L CA -0.760 54.079 54.840 -0.002 0.000 0.818 688 L CB 2.316 44.372 42.059 -0.005 0.000 1.296 688 L HN 0.561 nan 8.230 nan 0.000 0.427 689 E N 1.857 121.977 120.200 -0.135 0.000 2.218 689 E HA 0.403 4.753 4.350 0.000 0.000 0.263 689 E C -1.826 174.608 176.600 -0.277 0.000 0.879 689 E CA -0.565 55.786 56.400 -0.082 0.000 0.762 689 E CB 2.031 31.739 29.700 0.013 0.000 1.166 689 E HN 0.310 nan 8.360 nan 0.000 0.415 690 Y N 1.567 121.945 120.300 0.132 0.000 2.377 690 Y HA 0.348 4.898 4.550 0.000 0.000 0.339 690 Y C 0.058 176.015 175.900 0.095 0.000 1.011 690 Y CA -0.846 57.321 58.100 0.111 0.000 1.093 690 Y CB 1.655 40.216 38.460 0.167 0.000 1.201 690 Y HN 0.298 nan 8.280 nan 0.000 0.455 691 Q N 3.868 123.796 119.800 0.214 0.000 2.281 691 Q HA 0.628 4.968 4.340 0.000 0.000 0.263 691 Q C -1.974 174.145 176.000 0.198 0.000 0.989 691 Q CA -0.878 55.031 55.803 0.177 0.000 0.852 691 Q CB 2.857 31.657 28.738 0.102 0.000 1.337 691 Q HN 0.787 nan 8.270 nan 0.000 0.418 692 L N 2.598 123.924 121.223 0.171 0.000 2.476 692 L HA 0.547 4.887 4.340 0.000 0.000 0.269 692 L C -1.763 175.168 176.870 0.102 0.000 0.965 692 L CA -0.294 54.623 54.840 0.129 0.000 0.845 692 L CB 1.888 44.030 42.059 0.138 0.000 1.259 692 L HN 0.851 nan 8.230 nan 0.000 0.403 693 N N 3.626 122.341 118.700 0.026 0.000 2.443 693 N HA 0.257 4.997 4.740 0.000 0.000 0.269 693 N C -1.944 173.603 175.510 0.061 0.000 0.985 693 N CA -0.493 52.576 53.050 0.032 0.000 0.921 693 N CB 1.189 39.663 38.487 -0.021 0.000 1.195 693 N HN 0.589 nan 8.380 nan 0.000 0.492 694 Y N 3.205 123.514 120.300 0.016 0.000 2.331 694 Y HA 0.334 4.884 4.550 0.000 0.000 0.338 694 Y C -1.133 174.805 175.900 0.063 0.000 0.976 694 Y CA -0.627 57.505 58.100 0.053 0.000 1.137 694 Y CB 0.959 39.490 38.460 0.118 0.000 1.172 694 Y HN 0.442 nan 8.280 nan 0.000 0.478 695 D N 4.441 124.535 120.400 -0.510 0.000 2.492 695 D HA 0.549 5.189 4.640 0.000 0.000 0.248 695 D C -0.653 175.333 176.300 -0.524 0.000 1.101 695 D CA -0.269 53.493 54.000 -0.396 0.000 0.840 695 D CB 1.819 42.474 40.800 -0.241 0.000 1.209 695 D HN 0.658 nan 8.370 nan 0.000 0.524 696 A N 2.403 125.020 122.820 -0.338 0.000 2.589 696 A HA 0.596 4.916 4.320 0.000 0.000 0.283 696 A C 1.421 178.970 177.584 -0.059 0.000 1.187 696 A CA 0.581 52.516 52.037 -0.171 0.000 0.957 696 A CB -0.151 18.847 19.000 -0.003 0.000 1.175 696 A HN 0.875 nan 8.150 nan 0.000 0.532 697 G N -0.546 108.224 108.800 -0.051 0.000 4.236 697 G HA2 -0.401 3.559 3.960 0.000 0.000 0.222 697 G HA3 -0.401 3.559 3.960 0.000 0.000 0.222 697 G C 1.352 176.276 174.900 0.041 0.000 1.354 697 G CA 0.994 46.083 45.100 -0.017 0.000 0.966 697 G HN 0.805 nan 8.290 nan 0.000 0.624 698 V N 0.096 120.029 119.914 0.031 0.000 2.488 698 V HA 0.422 4.542 4.120 0.000 0.000 0.246 698 V C 1.049 177.243 176.094 0.167 0.000 1.046 698 V CA 2.029 64.365 62.300 0.060 0.000 1.053 698 V CB -0.198 31.616 31.823 -0.015 0.000 0.679 698 V HN 0.599 nan 8.190 nan 0.000 0.458 699 F N 1.409 121.357 119.950 -0.002 0.000 2.557 699 F HA 0.641 5.168 4.527 0.000 0.000 0.316 699 F C -0.837 175.027 175.800 0.107 0.000 1.141 699 F CA -1.515 56.492 58.000 0.012 0.000 0.922 699 F CB 1.617 40.596 39.000 -0.035 0.000 1.194 699 F HN 0.168 nan 8.300 nan 0.000 0.443 700 Y N 3.365 123.224 120.300 -0.736 0.000 2.581 700 Y HA 0.944 5.494 4.550 0.000 0.000 0.345 700 Y C -1.611 173.903 175.900 -0.644 0.000 1.036 700 Y CA -1.480 56.283 58.100 -0.562 0.000 1.042 700 Y CB 1.549 39.842 38.460 -0.279 0.000 1.289 700 Y HN 0.808 nan 8.280 nan 0.000 0.471 701 A N 2.165 124.870 122.820 -0.191 0.000 2.459 701 A HA 0.548 4.868 4.320 0.000 0.000 0.296 701 A C -2.177 175.460 177.584 0.089 0.000 1.039 701 A CA -0.520 51.442 52.037 -0.126 0.000 0.698 701 A CB 1.609 20.542 19.000 -0.111 0.000 1.261 701 A HN 0.825 nan 8.150 nan 0.000 0.405 702 D N 0.964 121.425 120.400 0.102 0.000 2.342 702 D HA 0.677 5.317 4.640 0.000 0.000 0.243 702 D C -1.252 175.115 176.300 0.112 0.000 1.019 702 D CA -0.172 53.897 54.000 0.116 0.000 0.864 702 D CB 1.542 42.410 40.800 0.113 0.000 1.315 702 D HN 0.503 nan 8.370 nan 0.000 0.468 703 L N 2.772 124.069 121.223 0.123 0.000 2.482 703 L HA 0.549 4.889 4.340 0.000 0.000 0.269 703 L C -1.220 175.745 176.870 0.159 0.000 0.967 703 L CA -0.200 54.728 54.840 0.146 0.000 0.851 703 L CB 1.697 43.838 42.059 0.136 0.000 1.242 703 L HN 0.623 nan 8.230 nan 0.000 0.404 704 T N 0.901 115.551 114.554 0.159 0.000 2.886 704 T HA 0.608 4.958 4.350 0.000 0.000 0.292 704 T C -1.269 173.550 174.700 0.198 0.000 1.012 704 T CA -0.605 61.585 62.100 0.150 0.000 0.982 704 T CB 1.714 70.609 68.868 0.046 0.000 1.018 704 T HN 0.500 nan 8.240 nan 0.000 0.451 705 Y N 1.427 121.793 120.300 0.109 0.000 2.482 705 Y HA 0.593 5.143 4.550 0.000 0.000 0.334 705 Y C -0.902 175.122 175.900 0.208 0.000 1.091 705 Y CA -0.515 57.652 58.100 0.111 0.000 1.027 705 Y CB 2.349 40.924 38.460 0.192 0.000 1.306 705 Y HN 1.055 nan 8.280 nan 0.000 0.446 706 T N 3.652 117.921 114.554 -0.475 0.000 2.848 706 T HA 0.369 4.719 4.350 0.000 0.000 0.285 706 T C -2.076 172.479 174.700 -0.242 0.000 0.995 706 T CA -0.413 61.584 62.100 -0.171 0.000 0.970 706 T CB 0.592 69.401 68.868 -0.099 0.000 0.976 706 T HN 0.820 nan 8.240 nan 0.000 0.441 707 H N 5.205 124.297 119.070 0.036 0.000 2.511 707 H HA 0.610 5.166 4.556 0.000 0.000 0.328 707 H C -0.285 175.076 175.328 0.055 0.000 1.044 707 H CA -0.913 55.197 56.048 0.103 0.000 1.212 707 H CB 0.770 30.724 29.762 0.321 0.000 1.428 707 H HN 0.452 nan 8.280 nan 0.000 0.483 708 M N 5.775 125.144 119.600 -0.386 0.000 2.363 708 M HA 0.367 4.847 4.480 0.000 0.000 0.343 708 M C -0.729 175.384 176.300 -0.313 0.000 1.165 708 M CA -0.496 54.648 55.300 -0.260 0.000 1.046 708 M CB 1.497 33.930 32.600 -0.279 0.000 1.648 708 M HN 0.604 nan 8.290 nan 0.000 0.452 709 I N 1.063 121.547 120.570 -0.143 0.000 2.533 709 I HA 0.766 4.936 4.170 0.000 0.000 0.290 709 I C 0.266 176.340 176.117 -0.072 0.000 1.056 709 I CA -0.480 60.782 61.300 -0.063 0.000 1.057 709 I CB 2.228 40.255 38.000 0.045 0.000 1.240 709 I HN 0.839 nan 8.210 nan 0.000 0.423 710 G N 4.727 113.499 108.800 -0.048 0.000 2.570 710 G HA2 -0.052 3.908 3.960 0.000 0.000 0.686 710 G HA3 -0.052 3.908 3.960 0.000 0.000 0.686 710 G C -1.139 173.737 174.900 -0.040 0.000 1.257 710 G CA -0.977 44.094 45.100 -0.048 0.000 0.846 710 G HN 0.660 nan 8.290 nan 0.000 0.627 711 K N 1.028 121.416 120.400 -0.020 0.000 3.050 711 K HA 0.153 4.474 4.320 0.000 0.000 0.185 711 K C 0.490 177.076 176.600 -0.023 0.000 1.147 711 K CA -0.502 55.798 56.287 0.022 0.000 0.916 711 K CB 0.618 33.180 32.500 0.103 0.000 1.119 711 K HN 0.832 nan 8.250 nan 0.000 0.605 712 N N 1.261 119.904 118.700 -0.095 0.000 2.399 712 N HA 0.106 4.846 4.740 0.000 0.000 0.250 712 N C -0.541 174.930 175.510 -0.066 0.000 1.272 712 N CA -0.621 52.365 53.050 -0.106 0.000 0.928 712 N CB 0.902 39.269 38.487 -0.200 0.000 1.158 712 N HN 0.421 nan 8.380 nan 0.000 0.463 713 E N -0.455 119.727 120.200 -0.031 0.000 2.320 713 E HA 0.408 4.758 4.350 0.000 0.000 0.264 713 E C -1.708 174.946 176.600 0.090 0.000 0.923 713 E CA -0.989 55.422 56.400 0.018 0.000 0.796 713 E CB 1.580 31.284 29.700 0.007 0.000 1.262 713 E HN 0.547 nan 8.360 nan 0.000 0.428 714 F N 1.581 121.501 119.950 -0.049 0.000 2.449 714 F HA 0.512 5.039 4.527 0.000 0.000 0.342 714 F C -1.515 174.268 175.800 -0.029 0.000 1.127 714 F CA -1.015 56.967 58.000 -0.029 0.000 0.975 714 F CB 1.240 40.225 39.000 -0.025 0.000 1.146 714 F HN 0.580 nan 8.300 nan 0.000 0.444 715 c N 5.213 123.386 118.600 -0.711 0.000 2.383 715 c HA 0.736 5.306 4.570 0.000 0.000 0.330 715 c C -0.303 173.387 174.090 -0.667 0.000 1.168 715 c CA -0.553 55.429 56.329 -0.579 0.000 1.374 715 c CB 0.063 42.405 42.510 -0.279 0.000 2.014 715 c HN 0.931 nan 8.230 nan 0.000 0.439 716 S N 2.568 117.891 115.700 -0.629 0.000 2.751 716 S HA 0.497 4.967 4.470 0.000 0.000 0.310 716 S C 0.320 174.797 174.600 -0.206 0.000 1.128 716 S CA -0.572 57.393 58.200 -0.392 0.000 0.931 716 S CB 1.077 64.067 63.200 -0.349 0.000 1.177 716 S HN 0.548 nan 8.310 nan 0.000 0.530 717 N N 0.272 118.925 118.700 -0.078 0.000 2.424 717 N HA 0.083 4.823 4.740 0.000 0.000 0.178 717 N C 0.982 176.536 175.510 0.073 0.000 1.060 717 N CA 0.607 53.649 53.050 -0.014 0.000 0.901 717 N CB -0.397 38.113 38.487 0.038 0.000 0.979 717 N HN 0.818 nan 8.380 nan 0.000 0.451 718 K N -1.044 119.413 120.400 0.096 0.000 4.378 718 K HA -0.260 4.060 4.320 0.000 0.000 0.416 718 K C -0.171 176.605 176.600 0.293 0.000 0.469 718 K CA 1.420 57.808 56.287 0.169 0.000 1.807 718 K CB -1.481 31.160 32.500 0.235 0.000 0.965 718 K HN 0.164 nan 8.250 nan 0.000 0.530 719 A N 1.332 124.314 122.820 0.270 0.000 3.232 719 A HA 0.383 4.703 4.320 0.000 0.000 0.312 719 A C -0.179 177.523 177.584 0.196 0.000 1.185 719 A CA -0.092 52.088 52.037 0.237 0.000 1.011 719 A CB -0.898 18.152 19.000 0.084 0.000 1.096 719 A HN 0.397 nan 8.150 nan 0.000 0.543 720 W N 0.322 121.599 121.300 -0.037 0.000 2.186 720 W HA 0.238 4.898 4.660 0.000 0.000 0.355 720 W C 0.263 176.731 176.519 -0.085 0.000 1.293 720 W CA -0.077 57.240 57.345 -0.048 0.000 1.316 720 W CB 0.070 29.521 29.460 -0.014 0.000 1.212 720 W HN 0.358 nan 8.180 nan 0.000 0.610 721 L N 2.186 123.169 121.223 -0.400 0.000 5.279 721 L HA -0.237 4.103 4.340 0.000 0.000 0.428 721 L C 1.784 178.392 176.870 -0.436 0.000 0.974 721 L CA 2.403 56.897 54.840 -0.577 0.000 1.338 721 L CB -2.397 39.128 42.059 -0.890 0.000 1.740 721 L HN 1.665 nan 8.230 nan 0.000 0.657 722 G N -0.877 107.727 108.800 -0.326 0.000 2.596 722 G HA2 0.120 4.080 3.960 0.000 0.000 0.295 722 G HA3 0.120 4.080 3.960 0.000 0.000 0.295 722 G C 1.466 176.190 174.900 -0.293 0.000 1.240 722 G CA 1.236 46.194 45.100 -0.237 0.000 0.985 722 G HN 2.030 nan 8.290 nan 0.000 0.555 723 G N -1.546 107.114 108.800 -0.235 0.000 2.203 723 G HA2 -0.230 3.730 3.960 0.000 0.000 0.263 723 G HA3 -0.230 3.730 3.960 0.000 0.000 0.263 723 G C 0.544 175.293 174.900 -0.251 0.000 1.012 723 G CA 1.391 46.340 45.100 -0.252 0.000 0.749 723 G HN 0.937 nan 8.290 nan 0.000 0.512 724 R N -0.587 119.801 120.500 -0.186 0.000 2.491 724 R HA 0.517 4.857 4.340 0.000 0.000 0.283 724 R C 0.972 177.209 176.300 -0.105 0.000 1.072 724 R CA -0.101 55.911 56.100 -0.146 0.000 1.048 724 R CB 0.486 30.726 30.300 -0.101 0.000 0.983 724 R HN 0.393 nan 8.270 nan 0.000 0.450 725 L N 1.945 123.108 121.223 -0.100 0.000 2.332 725 L HA 0.629 4.969 4.340 0.000 0.000 0.269 725 L C 0.450 177.255 176.870 -0.109 0.000 1.016 725 L CA -0.889 53.893 54.840 -0.096 0.000 0.809 725 L CB 1.326 43.319 42.059 -0.110 0.000 1.280 725 L HN 0.374 nan 8.230 nan 0.000 0.447 726 R N 0.327 120.760 120.500 -0.113 0.000 2.522 726 R HA 0.342 4.682 4.340 0.000 0.000 0.283 726 R C -1.634 174.608 176.300 -0.096 0.000 1.074 726 R CA -0.706 55.343 56.100 -0.084 0.000 0.925 726 R CB 1.386 31.679 30.300 -0.013 0.000 1.205 726 R HN 0.380 nan 8.270 nan 0.000 0.436 727 Y N 1.662 121.954 120.300 -0.013 0.000 2.712 727 Y HA 0.094 4.644 4.550 0.000 0.000 0.333 727 Y C 1.485 177.328 175.900 -0.096 0.000 1.225 727 Y CA 1.514 59.578 58.100 -0.061 0.000 1.499 727 Y CB 0.599 39.021 38.460 -0.064 0.000 1.288 727 Y HN 0.767 nan 8.280 nan 0.000 0.575 728 G N 1.423 110.181 108.800 -0.070 0.000 2.514 728 G HA2 0.029 3.989 3.960 0.000 0.000 0.245 728 G HA3 0.029 3.989 3.960 0.000 0.000 0.245 728 G C -0.614 174.203 174.900 -0.138 0.000 1.488 728 G CA -0.606 44.463 45.100 -0.052 0.000 1.063 728 G HN 0.605 nan 8.290 nan 0.000 0.557 729 D N 0.632 121.015 120.400 -0.028 0.000 2.896 729 D HA 0.381 5.021 4.640 0.000 0.000 0.240 729 D C 0.585 176.806 176.300 -0.132 0.000 1.193 729 D CA 0.041 54.022 54.000 -0.033 0.000 0.983 729 D CB 0.266 41.107 40.800 0.068 0.000 1.074 729 D HN 0.432 nan 8.370 nan 0.000 0.496 730 G N -0.180 108.377 108.800 -0.405 0.000 2.400 730 G HA2 0.538 4.498 3.960 0.000 0.000 0.333 730 G HA3 0.538 4.498 3.960 0.000 0.000 0.333 730 G C 0.018 174.695 174.900 -0.372 0.000 1.143 730 G CA -0.514 44.319 45.100 -0.445 0.000 0.914 730 G HN 0.211 nan 8.290 nan 0.000 0.480 731 S N 0.768 116.222 115.700 -0.409 0.000 2.798 731 S HA 0.422 4.892 4.470 0.000 0.000 0.312 731 S C 1.170 175.360 174.600 -0.684 0.000 1.122 731 S CA -0.969 56.997 58.200 -0.390 0.000 0.949 731 S CB 1.751 64.820 63.200 -0.219 0.000 1.235 731 S HN 0.555 nan 8.310 nan 0.000 0.552 732 R N 0.702 120.974 120.500 -0.381 0.000 2.276 732 R HA -0.119 4.221 4.340 0.000 0.000 0.243 732 R C 1.154 177.295 176.300 -0.265 0.000 1.161 732 R CA 1.093 57.075 56.100 -0.197 0.000 1.007 732 R CB -0.707 29.602 30.300 0.015 0.000 0.867 732 R HN 0.650 nan 8.270 nan 0.000 0.472 733 R N -0.473 119.823 120.500 -0.341 0.000 3.064 733 R HA 0.074 4.414 4.340 0.000 0.000 0.280 733 R C 1.589 177.780 176.300 -0.182 0.000 1.182 733 R CA 0.196 56.183 56.100 -0.187 0.000 1.155 733 R CB -0.343 29.874 30.300 -0.138 0.000 1.112 733 R HN -0.060 nan 8.270 nan 0.000 0.564 734 G N -0.127 108.640 108.800 -0.055 0.000 2.516 734 G HA2 -0.247 3.713 3.960 0.000 0.000 0.221 734 G HA3 -0.247 3.713 3.960 0.000 0.000 0.221 734 G C 0.117 175.001 174.900 -0.026 0.000 1.107 734 G CA 0.492 45.596 45.100 0.007 0.000 0.747 734 G HN 0.519 nan 8.290 nan 0.000 0.567 735 N N 0.493 119.105 118.700 -0.147 0.000 2.605 735 N HA 0.274 5.014 4.740 0.000 0.000 0.258 735 N C -1.161 174.115 175.510 -0.389 0.000 1.156 735 N CA -0.116 52.879 53.050 -0.093 0.000 1.008 735 N CB 0.037 38.537 38.487 0.022 0.000 1.354 735 N HN 0.054 nan 8.380 nan 0.000 0.509 736 F N 2.396 122.338 119.950 -0.013 0.000 2.438 736 F HA 0.217 4.744 4.527 0.000 0.000 0.315 736 F C 0.047 175.858 175.800 0.019 0.000 1.258 736 F CA -1.133 56.830 58.000 -0.061 0.000 1.180 736 F CB -0.285 38.654 39.000 -0.101 0.000 1.412 736 F HN 0.244 nan 8.300 nan 0.000 0.544 737 Y N -1.171 119.225 120.300 0.160 0.000 2.374 737 Y HA 0.811 5.362 4.550 0.000 0.000 0.322 737 Y C -0.679 175.312 175.900 0.152 0.000 1.275 737 Y CA -1.706 56.488 58.100 0.157 0.000 1.307 737 Y CB 0.440 38.961 38.460 0.101 0.000 1.282 737 Y HN -0.082 nan 8.280 nan 0.000 0.509 738 V N 1.551 121.636 119.914 0.284 0.000 2.789 738 V HA 0.355 4.475 4.120 0.000 0.000 0.311 738 V C -0.780 175.411 176.094 0.162 0.000 1.073 738 V CA -1.074 61.290 62.300 0.105 0.000 0.921 738 V CB 1.698 33.489 31.823 -0.054 0.000 1.009 738 V HN 0.929 nan 8.190 nan 0.000 0.426 739 E N 4.061 124.330 120.200 0.116 0.000 2.227 739 E HA 0.629 4.979 4.350 0.000 0.000 0.268 739 E C -3.007 173.610 176.600 0.028 0.000 0.907 739 E CA -2.507 53.949 56.400 0.094 0.000 0.786 739 E CB 2.283 32.060 29.700 0.127 0.000 1.191 739 E HN 0.337 nan 8.360 nan 0.000 0.411 740 P HA -0.007 nan 4.420 nan 0.000 0.264 740 P C -0.918 176.375 177.300 -0.010 0.000 1.193 740 P CA 0.222 63.315 63.100 -0.011 0.000 0.763 740 P CB 0.364 32.057 31.700 -0.012 0.000 0.810 741 D N 2.735 123.120 120.400 -0.026 0.000 2.485 741 D HA 0.316 4.956 4.640 0.000 0.000 0.229 741 D C 1.035 177.324 176.300 -0.018 0.000 1.101 741 D CA -0.512 53.476 54.000 -0.020 0.000 0.906 741 D CB 0.407 41.189 40.800 -0.030 0.000 1.019 741 D HN 0.217 nan 8.370 nan 0.000 0.516 742 A N 3.306 126.122 122.820 -0.007 0.000 2.015 742 A HA 0.049 4.369 4.320 0.000 0.000 0.219 742 A C 2.062 179.655 177.584 0.015 0.000 1.163 742 A CA 1.468 53.504 52.037 -0.001 0.000 0.646 742 A CB -0.227 18.774 19.000 0.002 0.000 0.806 742 A HN 0.568 nan 8.150 nan 0.000 0.448 743 A N -0.814 122.016 122.820 0.017 0.000 1.898 743 A HA -0.077 4.243 4.320 0.000 0.000 0.216 743 A C 2.449 180.066 177.584 0.055 0.000 1.181 743 A CA 1.965 54.024 52.037 0.036 0.000 0.620 743 A CB -0.865 18.146 19.000 0.018 0.000 0.819 743 A HN 0.519 nan 8.150 nan 0.000 0.442 744 S N -0.211 115.497 115.700 0.013 0.000 2.423 744 S HA -0.127 4.343 4.470 0.000 0.000 0.231 744 S C 1.836 176.477 174.600 0.069 0.000 1.014 744 S CA 1.305 59.510 58.200 0.009 0.000 0.965 744 S CB -0.532 62.642 63.200 -0.043 0.000 0.785 744 S HN 0.630 nan 8.310 nan 0.000 0.495 745 N N 1.878 120.600 118.700 0.036 0.000 2.135 745 N HA -0.017 4.723 4.740 0.000 0.000 0.186 745 N C 0.648 176.190 175.510 0.054 0.000 1.027 745 N CA 1.176 54.239 53.050 0.022 0.000 0.849 745 N CB -0.555 37.921 38.487 -0.019 0.000 1.002 745 N HN 0.391 nan 8.380 nan 0.000 0.425 746 D N -0.264 120.175 120.400 0.066 0.000 2.324 746 D HA -0.000 4.640 4.640 0.000 0.000 0.235 746 D C -0.145 176.214 176.300 0.100 0.000 1.095 746 D CA -0.018 54.018 54.000 0.060 0.000 0.871 746 D CB -0.630 40.197 40.800 0.044 0.000 0.906 746 D HN 0.192 nan 8.370 nan 0.000 0.522 747 F N 0.939 120.882 119.950 -0.011 0.000 2.384 747 F HA 0.325 4.852 4.527 0.000 0.000 0.338 747 F C -0.178 175.615 175.800 -0.012 0.000 1.103 747 F CA -0.649 57.346 58.000 -0.009 0.000 1.157 747 F CB 1.113 40.112 39.000 -0.003 0.000 1.167 747 F HN -0.273 nan 8.300 nan 0.000 0.529 748 V N 5.698 125.037 119.914 -0.959 0.000 2.623 748 V HA 0.513 4.633 4.120 0.000 0.000 0.304 748 V C -0.910 174.724 176.094 -0.767 0.000 1.054 748 V CA -0.087 61.836 62.300 -0.629 0.000 0.882 748 V CB 2.015 33.622 31.823 -0.360 0.000 1.002 748 V HN 0.950 nan 8.190 nan 0.000 0.424 749 T N 3.475 117.758 114.554 -0.451 0.000 2.824 749 T HA 0.607 4.958 4.350 0.000 0.000 0.280 749 T C -0.442 174.131 174.700 -0.212 0.000 0.995 749 T CA -0.535 61.398 62.100 -0.279 0.000 1.009 749 T CB 1.037 69.846 68.868 -0.098 0.000 0.955 749 T HN 0.737 nan 8.240 nan 0.000 0.452 750 c N 4.468 122.984 118.600 -0.140 0.000 2.298 750 c HA 0.626 5.197 4.570 0.000 0.000 0.323 750 c C 0.686 174.777 174.090 0.002 0.000 1.284 750 c CA 0.099 56.371 56.329 -0.094 0.000 1.577 750 c CB -0.388 42.072 42.510 -0.083 0.000 2.249 750 c HN 1.171 nan 8.230 nan 0.000 0.497 751 D N 1.924 122.364 120.400 0.067 0.000 3.685 751 D HA -0.205 4.435 4.640 0.000 0.000 0.152 751 D C 1.452 177.805 176.300 0.089 0.000 0.966 751 D CA 2.462 56.541 54.000 0.131 0.000 1.085 751 D CB -1.298 39.578 40.800 0.126 0.000 0.521 751 D HN 1.419 nan 8.370 nan 0.000 0.543 752 G N 0.070 108.944 108.800 0.124 0.000 2.175 752 G HA2 0.077 4.037 3.960 0.000 0.000 0.265 752 G HA3 0.077 4.037 3.960 0.000 0.000 0.265 752 G C 1.175 175.783 174.900 -0.487 0.000 0.979 752 G CA 1.408 46.517 45.100 0.015 0.000 0.663 752 G HN 1.854 nan 8.290 nan 0.000 0.533 753 G N -1.817 106.696 108.800 -0.478 0.000 2.142 753 G HA2 0.019 3.979 3.960 0.000 0.000 0.225 753 G HA3 0.019 3.979 3.960 0.000 0.000 0.225 753 G C 1.199 175.977 174.900 -0.203 0.000 1.015 753 G CA 1.575 46.276 45.100 -0.665 0.000 0.716 753 G HN 2.145 nan 8.290 nan 0.000 0.508 754 T N -3.152 111.372 114.554 -0.051 0.000 3.054 754 T HA 0.142 4.493 4.350 0.000 0.000 0.259 754 T C 1.854 176.611 174.700 0.096 0.000 1.092 754 T CA 1.422 63.548 62.100 0.044 0.000 1.121 754 T CB 0.120 69.043 68.868 0.092 0.000 0.912 754 T HN 0.459 nan 8.240 nan 0.000 0.489 755 Q N 0.534 120.368 119.800 0.057 0.000 2.002 755 Q HA -0.094 4.246 4.340 0.000 0.000 0.204 755 Q C 0.435 176.342 176.000 -0.155 0.000 0.988 755 Q CA 1.411 57.062 55.803 -0.253 0.000 0.843 755 Q CB -0.380 28.157 28.738 -0.334 0.000 0.908 755 Q HN 0.545 nan 8.270 nan 0.000 0.420 756 F N -1.159 118.684 119.950 -0.179 0.000 2.983 756 F HA -0.230 4.297 4.527 0.000 0.000 0.288 756 F C -0.261 175.305 175.800 -0.389 0.000 0.980 756 F CA 0.484 58.448 58.000 -0.060 0.000 0.965 756 F CB -0.943 38.061 39.000 0.007 0.000 0.967 756 F HN 0.238 nan 8.300 nan 0.000 0.800 757 G N -0.323 107.849 108.800 -1.047 0.000 2.645 757 G HA2 0.443 4.403 3.960 0.000 0.000 0.292 757 G HA3 0.443 4.403 3.960 0.000 0.000 0.292 757 G C 0.208 174.378 174.900 -1.216 0.000 1.415 757 G CA -0.177 44.311 45.100 -1.020 0.000 0.785 757 G HN 0.514 nan 8.290 nan 0.000 0.483 758 S N -0.639 114.720 115.700 -0.568 0.000 2.489 758 S HA 0.162 4.633 4.470 0.000 0.000 0.228 758 S C 2.078 176.709 174.600 0.052 0.000 0.995 758 S CA 1.148 59.222 58.200 -0.210 0.000 0.934 758 S CB 0.259 63.434 63.200 -0.041 0.000 0.771 758 S HN 1.297 nan 8.310 nan 0.000 0.522 759 A N 1.146 123.979 122.820 0.022 0.000 2.235 759 A HA 0.604 4.924 4.320 0.000 0.000 0.208 759 A C 2.094 179.698 177.584 0.035 0.000 1.172 759 A CA 0.703 52.827 52.037 0.145 0.000 0.786 759 A CB -0.837 18.311 19.000 0.247 0.000 0.804 759 A HN 0.605 nan 8.150 nan 0.000 0.479 760 A N -1.219 121.571 122.820 -0.050 0.000 1.969 760 A HA 0.238 4.558 4.320 0.000 0.000 0.218 760 A C 0.624 178.061 177.584 -0.246 0.000 1.169 760 A CA 0.825 52.764 52.037 -0.164 0.000 0.635 760 A CB -0.210 18.705 19.000 -0.141 0.000 0.810 760 A HN 0.509 nan 8.150 nan 0.000 0.445 761 Y N -2.471 117.977 120.300 0.247 0.000 2.576 761 Y HA 0.583 5.133 4.550 0.000 0.000 0.346 761 Y C -0.494 175.594 175.900 0.314 0.000 1.018 761 Y CA -1.290 57.012 58.100 0.337 0.000 1.050 761 Y CB 1.263 40.046 38.460 0.538 0.000 1.280 761 Y HN -0.031 nan 8.280 nan 0.000 0.474 762 L N 3.405 124.829 121.223 0.335 0.000 2.357 762 L HA 0.515 4.855 4.340 0.000 0.000 0.273 762 L C -2.319 174.463 176.870 -0.147 0.000 1.080 762 L CA -2.148 52.703 54.840 0.017 0.000 0.803 762 L CB 0.129 42.124 42.059 -0.107 0.000 1.174 762 L HN 0.364 nan 8.230 nan 0.000 0.443 763 P HA 0.072 nan 4.420 nan 0.000 0.264 763 P C 0.093 176.951 177.300 -0.736 0.000 1.179 763 P CA 0.017 62.501 63.100 -1.027 0.000 0.763 763 P CB 0.369 30.815 31.700 -2.089 0.000 0.806 764 G N 1.742 110.241 108.800 -0.501 0.000 2.621 764 G HA2 0.184 4.144 3.960 0.000 0.000 0.271 764 G HA3 0.184 4.144 3.960 0.000 0.000 0.271 764 G C -0.653 174.121 174.900 -0.209 0.000 1.236 764 G CA -0.451 44.475 45.100 -0.290 0.000 0.958 764 G HN 0.359 nan 8.290 nan 0.000 0.512 765 D N -0.227 120.094 120.400 -0.131 0.000 2.302 765 D HA 0.489 5.129 4.640 0.000 0.000 0.248 765 D C 0.769 176.987 176.300 -0.137 0.000 1.094 765 D CA 0.219 54.133 54.000 -0.143 0.000 0.897 765 D CB 1.218 41.968 40.800 -0.082 0.000 1.200 765 D HN 0.596 nan 8.370 nan 0.000 0.429 766 R N -0.087 120.212 120.500 -0.334 0.000 2.716 766 R HA 0.789 5.129 4.340 0.000 0.000 0.271 766 R C -0.760 175.135 176.300 -0.675 0.000 1.028 766 R CA -1.134 54.700 56.100 -0.444 0.000 0.883 766 R CB 1.047 31.163 30.300 -0.306 0.000 1.250 766 R HN 0.488 nan 8.270 nan 0.000 0.465 767 G N -0.123 108.161 108.800 -0.859 0.000 2.782 767 G HA2 0.634 4.594 3.960 0.000 0.000 0.304 767 G HA3 0.634 4.594 3.960 0.000 0.000 0.304 767 G C -1.456 172.990 174.900 -0.757 0.000 1.315 767 G CA -0.290 44.410 45.100 -0.668 0.000 0.791 767 G HN 0.961 nan 8.290 nan 0.000 0.519 768 S N -2.438 113.135 115.700 -0.213 0.000 2.596 768 S HA 0.781 5.251 4.470 0.000 0.000 0.270 768 S C -1.682 173.076 174.600 0.263 0.000 1.155 768 S CA -0.599 57.633 58.200 0.052 0.000 0.827 768 S CB 1.739 64.927 63.200 -0.020 0.000 1.130 768 S HN 1.975 nan 8.310 nan 0.000 0.467 769 V N 1.728 121.788 119.914 0.242 0.000 2.697 769 V HA 0.768 4.888 4.120 0.000 0.000 0.300 769 V C -0.505 175.668 176.094 0.131 0.000 1.115 769 V CA 0.462 62.870 62.300 0.181 0.000 0.912 769 V CB 1.594 33.520 31.823 0.170 0.000 1.024 769 V HN 1.527 nan 8.190 nan 0.000 0.431 770 T N 4.955 119.573 114.554 0.107 0.000 2.952 770 T HA 0.809 5.159 4.350 0.000 0.000 0.286 770 T C -0.654 174.047 174.700 0.001 0.000 1.024 770 T CA -0.780 61.381 62.100 0.101 0.000 1.029 770 T CB 1.757 70.718 68.868 0.155 0.000 1.094 770 T HN 0.704 nan 8.240 nan 0.000 0.515 771 L N 1.794 122.982 121.223 -0.058 0.000 2.514 771 L HA 0.536 4.876 4.340 0.000 0.000 0.257 771 L C 0.539 177.187 176.870 -0.370 0.000 1.101 771 L CA -0.875 53.837 54.840 -0.212 0.000 0.911 771 L CB 1.095 43.149 42.059 -0.009 0.000 1.162 771 L HN 1.021 nan 8.230 nan 0.000 0.477 772 G N 0.390 108.658 108.800 -0.887 0.000 2.437 772 G HA2 0.756 4.716 3.960 0.000 0.000 0.319 772 G HA3 0.756 4.716 3.960 0.000 0.000 0.319 772 G C -0.459 174.004 174.900 -0.728 0.000 1.158 772 G CA -0.463 44.096 45.100 -0.902 0.000 0.899 772 G HN 0.471 nan 8.290 nan 0.000 0.502 773 G N -0.330 108.364 108.800 -0.176 0.000 2.667 773 G HA2 0.648 4.608 3.960 0.000 0.000 0.298 773 G HA3 0.648 4.608 3.960 0.000 0.000 0.298 773 G C -0.950 174.041 174.900 0.152 0.000 1.377 773 G CA -0.897 44.230 45.100 0.046 0.000 0.964 773 G HN 0.652 nan 8.290 nan 0.000 0.493 774 R N -0.053 120.548 120.500 0.169 0.000 2.740 774 R HA 0.852 5.192 4.340 0.000 0.000 0.282 774 R C -0.255 176.114 176.300 0.115 0.000 0.969 774 R CA -0.562 55.633 56.100 0.160 0.000 0.918 774 R CB 2.328 32.716 30.300 0.147 0.000 1.175 774 R HN 0.789 nan 8.270 nan 0.000 0.464 775 A N 0.996 123.908 122.820 0.153 0.000 2.583 775 A HA 0.645 4.966 4.320 0.000 0.000 0.299 775 A C -1.238 176.469 177.584 0.206 0.000 1.258 775 A CA -0.865 51.221 52.037 0.082 0.000 0.682 775 A CB 0.295 19.294 19.000 -0.001 0.000 1.332 775 A HN 0.650 nan 8.150 nan 0.000 0.485 776 F N 0.540 120.536 119.950 0.078 0.000 2.284 776 F HA -0.139 4.388 4.527 0.000 0.000 0.197 776 F C 0.672 176.530 175.800 0.096 0.000 1.023 776 F CA 1.826 59.887 58.000 0.101 0.000 0.858 776 F CB -1.097 37.999 39.000 0.161 0.000 0.933 776 F HN 0.836 nan 8.300 nan 0.000 0.803 777 D N 0.495 120.992 120.400 0.162 0.000 2.800 777 D HA -0.292 4.348 4.640 0.000 0.000 0.232 777 D C 1.059 177.411 176.300 0.088 0.000 1.137 777 D CA 1.546 55.611 54.000 0.109 0.000 0.718 777 D CB -0.512 40.359 40.800 0.119 0.000 1.084 777 D HN 0.759 nan 8.370 nan 0.000 0.432 778 R N -1.601 118.950 120.500 0.084 0.000 3.953 778 R HA -0.256 4.084 4.340 0.000 0.000 0.340 778 R C -0.598 175.750 176.300 0.080 0.000 1.195 778 R CA 1.864 58.004 56.100 0.066 0.000 0.929 778 R CB -1.042 29.276 30.300 0.031 0.000 1.402 778 R HN 0.213 nan 8.270 nan 0.000 0.540 779 K N 0.578 121.053 120.400 0.125 0.000 2.842 779 K HA 0.369 4.689 4.320 0.000 0.000 0.176 779 K C -1.286 175.444 176.600 0.216 0.000 1.080 779 K CA -0.411 55.935 56.287 0.098 0.000 0.954 779 K CB 0.423 32.904 32.500 -0.032 0.000 1.203 779 K HN 0.126 nan 8.250 nan 0.000 0.611 780 L N 2.236 123.614 121.223 0.258 0.000 2.508 780 L HA 0.266 4.606 4.340 0.000 0.000 0.276 780 L C -1.118 175.888 176.870 0.227 0.000 1.456 780 L CA -0.260 54.768 54.840 0.313 0.000 0.693 780 L CB 0.835 43.145 42.059 0.417 0.000 0.965 780 L HN 0.432 nan 8.230 nan 0.000 0.517 781 D N 2.598 123.123 120.400 0.208 0.000 2.450 781 D HA 0.441 5.081 4.640 0.000 0.000 0.247 781 D C -0.100 176.310 176.300 0.182 0.000 1.162 781 D CA 0.726 54.867 54.000 0.235 0.000 0.879 781 D CB 1.202 42.163 40.800 0.267 0.000 1.163 781 D HN 0.495 nan 8.370 nan 0.000 0.472 782 A N 2.812 125.667 122.820 0.057 0.000 2.485 782 A HA 0.688 5.008 4.320 0.000 0.000 0.285 782 A C -0.160 177.175 177.584 -0.414 0.000 1.045 782 A CA -0.111 51.805 52.037 -0.203 0.000 0.792 782 A CB 1.350 20.299 19.000 -0.084 0.000 1.307 782 A HN 0.590 nan 8.150 nan 0.000 0.406 783 G N -0.556 107.616 108.800 -1.046 0.000 2.827 783 G HA2 0.753 4.713 3.960 0.000 0.000 0.296 783 G HA3 0.753 4.713 3.960 0.000 0.000 0.296 783 G C -1.553 173.001 174.900 -0.575 0.000 1.362 783 G CA -0.135 44.555 45.100 -0.683 0.000 0.809 783 G HN 1.782 nan 8.290 nan 0.000 0.522 784 V N -0.503 119.350 119.914 -0.103 0.000 2.656 784 V HA 0.777 4.897 4.120 0.000 0.000 0.307 784 V C -0.696 175.533 176.094 0.225 0.000 1.051 784 V CA -0.391 61.968 62.300 0.098 0.000 0.893 784 V CB 2.113 33.998 31.823 0.103 0.000 0.999 784 V HN 0.808 nan 8.190 nan 0.000 0.426 785 T N 6.026 120.739 114.554 0.265 0.000 2.758 785 T HA 0.515 4.865 4.350 0.000 0.000 0.285 785 T C -0.551 174.218 174.700 0.116 0.000 0.981 785 T CA -0.234 61.977 62.100 0.186 0.000 0.965 785 T CB 1.284 70.242 68.868 0.150 0.000 0.927 785 T HN 0.538 nan 8.240 nan 0.000 0.448 786 V N 5.377 125.340 119.914 0.081 0.000 2.333 786 V HA 0.377 4.498 4.120 0.000 0.000 0.274 786 V C 0.307 176.434 176.094 0.054 0.000 1.028 786 V CA -0.821 61.453 62.300 -0.043 0.000 0.851 786 V CB 0.678 32.459 31.823 -0.070 0.000 1.000 786 V HN 0.706 nan 8.190 nan 0.000 0.456 787 R N 5.503 125.985 120.500 -0.030 0.000 2.204 787 R HA 0.561 4.901 4.340 0.000 0.000 0.341 787 R C -0.516 175.784 176.300 0.000 0.000 1.035 787 R CA -0.100 55.983 56.100 -0.028 0.000 0.887 787 R CB 0.572 30.860 30.300 -0.020 0.000 1.114 787 R HN 0.716 nan 8.270 nan 0.000 0.473 788 F N 0.165 120.038 119.950 -0.128 0.000 2.594 788 F HA 0.950 5.477 4.527 0.000 0.000 0.335 788 F C -0.589 175.018 175.800 -0.322 0.000 1.058 788 F CA -1.574 56.291 58.000 -0.226 0.000 0.981 788 F CB 1.633 40.545 39.000 -0.147 0.000 1.289 788 F HN 0.373 nan 8.300 nan 0.000 0.490 789 A N 1.631 124.276 122.820 -0.292 0.000 2.513 789 A HA 0.623 4.943 4.320 0.000 0.000 0.296 789 A C -2.679 174.889 177.584 -0.027 0.000 1.052 789 A CA -1.408 50.456 52.037 -0.287 0.000 0.714 789 A CB 1.162 19.759 19.000 -0.670 0.000 1.279 789 A HN 0.501 nan 8.150 nan 0.000 0.397 790 P HA 0.136 nan 4.420 nan 0.000 0.215 790 P C 0.789 178.175 177.300 0.144 0.000 1.153 790 P CA 2.088 65.293 63.100 0.174 0.000 0.853 790 P CB 0.198 32.037 31.700 0.232 0.000 0.788 791 G N -1.659 107.238 108.800 0.162 0.000 3.014 791 G HA2 0.062 4.022 3.960 0.000 0.000 0.683 791 G HA3 0.062 4.022 3.960 0.000 0.000 0.683 791 G C -1.999 173.082 174.900 0.302 0.000 1.271 791 G CA -0.884 44.348 45.100 0.219 0.000 0.843 791 G HN 0.111 nan 8.290 nan 0.000 0.612 792 Y N 2.467 122.887 120.300 0.200 0.000 2.322 792 Y HA 0.706 5.256 4.550 0.000 0.000 0.324 792 Y C -0.327 175.668 175.900 0.160 0.000 1.027 792 Y CA -0.734 57.480 58.100 0.190 0.000 1.179 792 Y CB 1.449 40.051 38.460 0.237 0.000 1.136 792 Y HN 0.745 nan 8.280 nan 0.000 0.449 793 Q N 3.365 122.987 119.800 -0.296 0.000 2.423 793 Q HA 0.362 4.702 4.340 0.000 0.000 0.278 793 Q C -1.840 173.864 176.000 -0.494 0.000 1.097 793 Q CA -1.137 54.417 55.803 -0.414 0.000 0.809 793 Q CB 2.696 31.314 28.738 -0.199 0.000 1.391 793 Q HN 0.601 nan 8.270 nan 0.000 0.428 794 D N 0.220 120.327 120.400 -0.489 0.000 2.420 794 D HA 0.231 4.871 4.640 0.000 0.000 0.255 794 D C -1.008 175.155 176.300 -0.229 0.000 1.185 794 D CA -0.285 53.517 54.000 -0.330 0.000 0.904 794 D CB 1.076 41.670 40.800 -0.343 0.000 1.102 794 D HN 0.312 nan 8.370 nan 0.000 0.534 795 S N 1.373 116.978 115.700 -0.158 0.000 2.945 795 S HA 0.148 4.618 4.470 0.000 0.000 0.227 795 S C 0.981 175.520 174.600 -0.101 0.000 1.353 795 S CA -0.276 57.844 58.200 -0.134 0.000 1.236 795 S CB -0.027 63.108 63.200 -0.108 0.000 1.069 795 S HN 0.486 nan 8.310 nan 0.000 0.509 796 S N -0.585 115.052 115.700 -0.104 0.000 2.728 796 S HA 0.227 4.697 4.470 0.000 0.000 0.257 796 S C 0.254 174.783 174.600 -0.118 0.000 1.060 796 S CA -0.213 57.943 58.200 -0.075 0.000 1.126 796 S CB -0.045 63.138 63.200 -0.028 0.000 1.099 796 S HN 0.359 nan 8.310 nan 0.000 0.617 797 V N -0.704 119.085 119.914 -0.209 0.000 2.864 797 V HA 0.795 4.915 4.120 0.000 0.000 0.314 797 V C -3.178 172.655 176.094 -0.436 0.000 1.073 797 V CA -2.619 59.422 62.300 -0.432 0.000 0.956 797 V CB 0.724 32.114 31.823 -0.721 0.000 1.023 797 V HN -0.033 nan 8.190 nan 0.000 0.435 798 P HA 0.272 nan 4.420 nan 0.000 0.270 798 P C 0.494 177.690 177.300 -0.174 0.000 1.223 798 P CA -0.021 62.964 63.100 -0.191 0.000 0.785 798 P CB 0.586 32.294 31.700 0.014 0.000 0.923 799 S N 0.582 116.236 115.700 -0.077 0.000 2.701 799 S HA -0.043 4.427 4.470 0.000 0.000 0.220 799 S C 1.207 175.818 174.600 0.018 0.000 0.954 799 S CA 0.023 58.186 58.200 -0.061 0.000 0.936 799 S CB -0.825 62.325 63.200 -0.083 0.000 0.777 799 S HN 0.593 nan 8.310 nan 0.000 0.518 800 N N 0.035 118.802 118.700 0.113 0.000 2.392 800 N HA -0.051 4.690 4.740 0.000 0.000 0.177 800 N C -0.189 175.464 175.510 0.239 0.000 1.066 800 N CA 0.034 53.169 53.050 0.143 0.000 0.895 800 N CB -0.709 37.855 38.487 0.128 0.000 0.988 800 N HN 0.209 nan 8.380 nan 0.000 0.457 801 Y N 1.792 122.115 120.300 0.038 0.000 2.904 801 Y HA 0.054 4.604 4.550 0.000 0.000 0.336 801 Y C -1.016 174.923 175.900 0.065 0.000 1.263 801 Y CA -1.321 56.829 58.100 0.083 0.000 1.547 801 Y CB -0.160 38.363 38.460 0.105 0.000 1.272 801 Y HN 0.079 nan 8.280 nan 0.000 0.596 802 P HA -0.076 nan 4.420 nan 0.000 0.218 802 P C -0.807 176.383 177.300 -0.183 0.000 1.152 802 P CA 1.392 64.540 63.100 0.080 0.000 0.826 802 P CB 0.286 32.197 31.700 0.353 0.000 0.790 803 Y N -0.566 119.783 120.300 0.081 0.000 2.328 803 Y HA 0.409 4.959 4.550 0.000 0.000 0.333 803 Y C 0.406 176.442 175.900 0.228 0.000 0.958 803 Y CA -0.821 57.331 58.100 0.087 0.000 1.167 803 Y CB 1.049 39.550 38.460 0.068 0.000 1.151 803 Y HN -0.260 nan 8.280 nan 0.000 0.470 804 L N 2.212 123.498 121.223 0.104 0.000 2.304 804 L HA 0.860 5.200 4.340 0.000 0.000 0.268 804 L C -0.090 176.384 176.870 -0.659 0.000 1.010 804 L CA -1.386 53.370 54.840 -0.140 0.000 0.813 804 L CB 1.699 43.598 42.059 -0.266 0.000 1.315 804 L HN 0.618 nan 8.230 nan 0.000 0.445 805 A N 0.590 122.693 122.820 -1.195 0.000 2.801 805 A HA 0.387 4.707 4.320 0.000 0.000 0.344 805 A C -0.838 175.996 177.584 -1.251 0.000 1.322 805 A CA -0.110 50.998 52.037 -1.547 0.000 0.913 805 A CB -0.303 17.739 19.000 -1.597 0.000 1.140 805 A HN 0.574 nan 8.150 nan 0.000 0.487 806 D N 2.180 121.695 120.400 -1.474 0.000 2.456 806 D HA 0.263 4.903 4.640 0.000 0.000 0.287 806 D C -1.125 174.741 176.300 -0.725 0.000 1.186 806 D CA -0.083 53.416 54.000 -0.835 0.000 0.916 806 D CB 0.083 40.546 40.800 -0.561 0.000 1.029 806 D HN 0.515 nan 8.370 nan 0.000 0.498 807 W N 3.939 125.241 121.300 0.003 0.000 2.433 807 W HA 0.295 4.955 4.660 0.000 0.000 0.288 807 W C -2.477 174.147 176.519 0.175 0.000 0.986 807 W CA -1.845 55.578 57.345 0.131 0.000 1.680 807 W CB 0.680 30.263 29.460 0.204 0.000 1.615 807 W HN 0.136 nan 8.180 nan 0.000 0.416 808 P HA -0.042 nan 4.420 nan 0.000 0.272 808 P C 0.357 177.858 177.300 0.335 0.000 1.248 808 P CA 0.272 63.526 63.100 0.257 0.000 0.799 808 P CB 0.809 32.639 31.700 0.218 0.000 0.997 809 K N 0.833 121.376 120.400 0.239 0.000 2.276 809 K HA 0.317 4.637 4.320 0.000 0.000 0.259 809 K C -0.739 176.031 176.600 0.284 0.000 1.001 809 K CA -0.101 56.293 56.287 0.179 0.000 0.927 809 K CB 0.004 32.581 32.500 0.128 0.000 0.969 809 K HN 0.569 nan 8.250 nan 0.000 0.490 810 Y N -3.015 117.383 120.300 0.163 0.000 2.565 810 Y HA 0.365 4.915 4.550 0.000 0.000 0.330 810 Y C -1.645 174.293 175.900 0.064 0.000 1.150 810 Y CA -1.108 57.063 58.100 0.118 0.000 1.055 810 Y CB 1.527 40.068 38.460 0.133 0.000 1.337 810 Y HN 0.533 nan 8.280 nan 0.000 0.457 811 T N 5.189 119.845 114.554 0.171 0.000 2.892 811 T HA 0.548 4.898 4.350 0.000 0.000 0.311 811 T C -0.679 173.939 174.700 -0.137 0.000 1.033 811 T CA -0.555 61.544 62.100 -0.001 0.000 0.991 811 T CB 0.255 69.100 68.868 -0.037 0.000 0.981 811 T HN 0.623 nan 8.240 nan 0.000 0.457 812 L N 3.060 124.163 121.223 -0.201 0.000 2.325 812 L HA 0.651 4.991 4.340 0.000 0.000 0.279 812 L C -0.777 175.842 176.870 -0.417 0.000 1.054 812 L CA -0.942 53.755 54.840 -0.237 0.000 0.804 812 L CB 0.908 42.825 42.059 -0.237 0.000 1.200 812 L HN 0.516 nan 8.230 nan 0.000 0.436 813 F N 0.643 120.614 119.950 0.035 0.000 2.403 813 F HA 0.342 4.869 4.527 0.000 0.000 0.355 813 F C -0.272 175.559 175.800 0.051 0.000 1.119 813 F CA -0.781 57.249 58.000 0.050 0.000 1.007 813 F CB 1.380 40.405 39.000 0.041 0.000 1.194 813 F HN 0.363 nan 8.300 nan 0.000 0.443 814 D N 4.542 125.065 120.400 0.206 0.000 2.278 814 D HA 0.517 5.157 4.640 0.000 0.000 0.245 814 D C -0.290 176.142 176.300 0.219 0.000 1.052 814 D CA -0.222 53.885 54.000 0.178 0.000 0.834 814 D CB 2.096 42.975 40.800 0.132 0.000 1.194 814 D HN 0.310 nan 8.370 nan 0.000 0.481 815 L N 2.029 123.362 121.223 0.183 0.000 2.352 815 L HA 0.613 4.953 4.340 0.000 0.000 0.269 815 L C -0.732 176.278 176.870 0.234 0.000 1.034 815 L CA -1.133 53.789 54.840 0.136 0.000 0.806 815 L CB 0.882 42.975 42.059 0.056 0.000 1.244 815 L HN 0.448 nan 8.230 nan 0.000 0.447 816 Y N 0.003 120.340 120.300 0.062 0.000 2.558 816 Y HA 0.836 5.386 4.550 0.000 0.000 0.333 816 Y C -1.225 174.717 175.900 0.069 0.000 1.125 816 Y CA -1.153 56.985 58.100 0.063 0.000 1.039 816 Y CB 1.350 39.848 38.460 0.064 0.000 1.331 816 Y HN 0.633 nan 8.280 nan 0.000 0.456 817 A N 1.636 124.564 122.820 0.180 0.000 2.572 817 A HA 0.919 5.239 4.320 0.000 0.000 0.295 817 A C -1.238 176.466 177.584 0.200 0.000 1.072 817 A CA -0.312 51.806 52.037 0.135 0.000 0.691 817 A CB 1.519 20.551 19.000 0.054 0.000 1.291 817 A HN 1.529 nan 8.150 nan 0.000 0.404 818 S N 0.032 115.854 115.700 0.203 0.000 2.546 818 S HA 0.779 5.249 4.470 0.000 0.000 0.274 818 S C -1.277 173.461 174.600 0.229 0.000 1.121 818 S CA -0.616 57.698 58.200 0.191 0.000 0.887 818 S CB 1.495 64.793 63.200 0.163 0.000 1.094 818 S HN 1.516 nan 8.310 nan 0.000 0.474 819 Y N 0.847 121.181 120.300 0.057 0.000 2.433 819 Y HA 0.470 5.020 4.550 0.000 0.000 0.337 819 Y C -1.000 174.922 175.900 0.037 0.000 1.026 819 Y CA -0.731 57.391 58.100 0.036 0.000 1.037 819 Y CB 1.716 40.175 38.460 -0.001 0.000 1.245 819 Y HN 0.773 nan 8.280 nan 0.000 0.443 820 K N 6.779 126.785 120.400 -0.656 0.000 2.150 820 K HA 0.095 4.415 4.320 0.000 0.000 0.261 820 K C 0.702 176.942 176.600 -0.599 0.000 1.127 820 K CA -0.195 55.814 56.287 -0.463 0.000 0.989 820 K CB 0.745 33.070 32.500 -0.291 0.000 1.475 820 K HN 0.761 nan 8.250 nan 0.000 0.391 821 L N 2.407 123.483 121.223 -0.245 0.000 2.021 821 L HA -0.249 4.091 4.340 0.000 0.000 0.215 821 L C 1.301 178.152 176.870 -0.032 0.000 1.074 821 L CA 2.040 56.877 54.840 -0.005 0.000 0.760 821 L CB -0.299 41.831 42.059 0.117 0.000 0.889 821 L HN 0.733 nan 8.230 nan 0.000 0.433 822 T N -6.737 107.794 114.554 -0.038 0.000 2.604 822 T HA 0.267 4.617 4.350 0.000 0.000 0.267 822 T C 0.426 175.096 174.700 -0.051 0.000 0.923 822 T CA -0.132 61.955 62.100 -0.021 0.000 1.077 822 T CB 0.380 69.268 68.868 0.035 0.000 1.392 822 T HN -0.056 nan 8.240 nan 0.000 0.531 823 D N -0.068 120.312 120.400 -0.032 0.000 2.355 823 D HA 0.290 4.930 4.640 0.000 0.000 0.218 823 D C 1.355 177.612 176.300 -0.072 0.000 1.004 823 D CA 0.496 54.467 54.000 -0.048 0.000 0.880 823 D CB 0.222 41.005 40.800 -0.029 0.000 0.911 823 D HN 0.405 nan 8.370 nan 0.000 0.528 824 S N -0.799 114.849 115.700 -0.086 0.000 2.882 824 S HA 0.148 4.618 4.470 0.000 0.000 0.258 824 S C 0.316 174.821 174.600 -0.159 0.000 1.081 824 S CA -0.481 57.588 58.200 -0.219 0.000 0.886 824 S CB 1.327 64.283 63.200 -0.406 0.000 0.855 824 S HN 0.090 nan 8.310 nan 0.000 0.467 825 L N 3.927 125.159 121.223 0.015 0.000 2.278 825 L HA 0.480 4.820 4.340 0.000 0.000 0.287 825 L C -1.152 175.754 176.870 0.059 0.000 1.072 825 L CA 0.908 55.827 54.840 0.132 0.000 0.819 825 L CB 0.446 42.615 42.059 0.183 0.000 1.176 825 L HN 0.102 nan 8.230 nan 0.000 0.435 826 T N 6.780 121.381 114.554 0.078 0.000 2.930 826 T HA 0.408 4.758 4.350 0.000 0.000 0.313 826 T C -0.182 174.578 174.700 0.100 0.000 1.019 826 T CA -0.423 61.710 62.100 0.056 0.000 1.004 826 T CB 0.980 69.871 68.868 0.039 0.000 0.987 826 T HN 0.553 nan 8.240 nan 0.000 0.456 827 L N 2.203 123.494 121.223 0.113 0.000 2.317 827 L HA 0.959 5.299 4.340 0.000 0.000 0.281 827 L C -0.226 176.724 176.870 0.133 0.000 1.024 827 L CA -1.125 53.787 54.840 0.120 0.000 0.810 827 L CB 1.398 43.525 42.059 0.113 0.000 1.240 827 L HN 0.612 nan 8.230 nan 0.000 0.427 828 R N 1.599 122.175 120.500 0.126 0.000 2.799 828 R HA 0.975 5.315 4.340 0.000 0.000 0.270 828 R C -0.838 175.533 176.300 0.119 0.000 1.010 828 R CA -0.787 55.393 56.100 0.133 0.000 0.916 828 R CB 1.854 32.241 30.300 0.145 0.000 1.228 828 R HN 0.866 nan 8.270 nan 0.000 0.469 829 G N -0.170 108.703 108.800 0.121 0.000 2.690 829 G HA2 0.617 4.577 3.960 0.000 0.000 0.291 829 G HA3 0.617 4.577 3.960 0.000 0.000 0.291 829 G C -1.407 173.569 174.900 0.126 0.000 1.403 829 G CA -0.589 44.575 45.100 0.106 0.000 0.864 829 G HN 0.850 nan 8.290 nan 0.000 0.480 830 S N -1.695 114.073 115.700 0.113 0.000 2.596 830 S HA 0.799 5.269 4.470 0.000 0.000 0.270 830 S C -1.563 173.097 174.600 0.101 0.000 1.155 830 S CA -0.806 57.473 58.200 0.132 0.000 0.827 830 S CB 1.964 65.251 63.200 0.146 0.000 1.130 830 S HN 1.065 nan 8.310 nan 0.000 0.467 831 V N 1.941 121.920 119.914 0.108 0.000 2.638 831 V HA 0.442 4.562 4.120 0.000 0.000 0.306 831 V C 0.613 176.766 176.094 0.099 0.000 1.052 831 V CA -0.635 61.720 62.300 0.091 0.000 0.885 831 V CB 1.702 33.572 31.823 0.079 0.000 0.999 831 V HN 0.993 nan 8.190 nan 0.000 0.424 832 E N 2.801 123.051 120.200 0.083 0.000 1.994 832 E HA -0.089 4.261 4.350 0.000 0.000 0.197 832 E C 0.747 177.399 176.600 0.086 0.000 0.982 832 E CA 0.961 57.406 56.400 0.076 0.000 0.855 832 E CB 0.093 29.827 29.700 0.057 0.000 0.806 832 E HN 0.708 nan 8.360 nan 0.000 0.495 833 N N 1.651 120.406 118.700 0.092 0.000 2.955 833 N HA 0.020 4.760 4.740 0.000 0.000 0.242 833 N C 1.115 176.699 175.510 0.123 0.000 1.123 833 N CA -0.313 52.796 53.050 0.097 0.000 0.949 833 N CB 0.409 38.965 38.487 0.114 0.000 1.214 833 N HN 0.090 nan 8.380 nan 0.000 0.504 834 L N 2.682 123.994 121.223 0.149 0.000 1.990 834 L HA -0.153 4.187 4.340 0.000 0.000 0.213 834 L C 2.098 179.033 176.870 0.107 0.000 1.072 834 L CA 2.235 57.149 54.840 0.124 0.000 0.755 834 L CB -1.213 40.925 42.059 0.131 0.000 0.889 834 L HN 0.611 nan 8.230 nan 0.000 0.432 835 T N -2.683 111.962 114.554 0.151 0.000 3.160 835 T HA -0.064 4.286 4.350 0.000 0.000 0.257 835 T C 1.000 175.771 174.700 0.119 0.000 1.147 835 T CA 0.410 62.584 62.100 0.123 0.000 1.064 835 T CB -0.560 68.416 68.868 0.180 0.000 0.949 835 T HN 0.462 nan 8.240 nan 0.000 0.526 836 N N 1.404 120.181 118.700 0.127 0.000 2.671 836 N HA -0.192 4.548 4.740 0.000 0.000 0.261 836 N C -0.385 175.214 175.510 0.148 0.000 1.053 836 N CA 0.336 53.465 53.050 0.131 0.000 0.732 836 N CB -1.371 37.177 38.487 0.102 0.000 0.887 836 N HN 0.778 nan 8.380 nan 0.000 0.546 837 R N 0.517 121.117 120.500 0.167 0.000 2.368 837 R HA 0.695 5.035 4.340 0.000 0.000 0.302 837 R C -0.094 176.366 176.300 0.268 0.000 1.002 837 R CA -0.069 56.144 56.100 0.188 0.000 0.929 837 R CB 0.746 31.149 30.300 0.171 0.000 1.073 837 R HN 0.344 nan 8.270 nan 0.000 0.464 838 A N 4.056 127.023 122.820 0.246 0.000 2.409 838 A HA 0.397 4.717 4.320 0.000 0.000 0.262 838 A C -1.183 176.588 177.584 0.312 0.000 1.113 838 A CA -0.136 52.055 52.037 0.257 0.000 0.790 838 A CB 0.070 19.178 19.000 0.180 0.000 1.046 838 A HN 0.769 nan 8.150 nan 0.000 0.496 839 Y N -0.700 119.620 120.300 0.032 0.000 2.725 839 Y HA 0.674 5.224 4.550 0.000 0.000 0.333 839 Y C -1.448 174.412 175.900 -0.066 0.000 1.242 839 Y CA -1.670 56.399 58.100 -0.052 0.000 1.059 839 Y CB 0.746 39.034 38.460 -0.287 0.000 1.306 839 Y HN 0.465 nan 8.280 nan 0.000 0.454 840 V N 2.833 122.650 119.914 -0.161 0.000 2.577 840 V HA 0.500 4.620 4.120 0.000 0.000 0.303 840 V C -0.193 175.887 176.094 -0.024 0.000 1.042 840 V CA -0.845 61.336 62.300 -0.198 0.000 0.872 840 V CB 1.534 33.394 31.823 0.062 0.000 0.998 840 V HN 1.043 nan 8.190 nan 0.000 0.423 841 V N 2.250 122.104 119.914 -0.100 0.000 2.752 841 V HA 0.164 4.285 4.120 0.000 0.000 0.306 841 V C 0.875 177.060 176.094 0.151 0.000 1.099 841 V CA 0.264 62.617 62.300 0.088 0.000 1.240 841 V CB 0.557 32.405 31.823 0.042 0.000 0.887 841 V HN 0.915 nan 8.190 nan 0.000 0.499 842 S N 3.850 119.697 115.700 0.245 0.000 2.552 842 S HA 0.152 4.622 4.470 0.000 0.000 0.289 842 S C 0.248 174.605 174.600 -0.405 0.000 1.304 842 S CA 0.792 58.950 58.200 -0.070 0.000 1.063 842 S CB -0.919 62.351 63.200 0.118 0.000 0.848 842 S HN 1.650 nan 8.310 nan 0.000 0.499 843 Y N 1.025 120.293 120.300 -1.720 0.000 4.753 843 Y HA -0.274 4.276 4.550 0.000 0.000 0.232 843 Y C 0.580 176.257 175.900 -0.371 0.000 1.029 843 Y CA 0.777 58.057 58.100 -1.366 0.000 1.996 843 Y CB -1.498 36.508 38.460 -0.757 0.000 1.602 843 Y HN 0.840 nan 8.280 nan 0.000 0.621 844 G N 1.886 110.590 108.800 -0.161 0.000 2.491 844 G HA2 0.145 4.106 3.960 0.000 0.000 0.242 844 G HA3 0.145 4.106 3.960 0.000 0.000 0.242 844 G C -0.370 174.655 174.900 0.208 0.000 1.266 844 G CA 0.082 45.220 45.100 0.063 0.000 0.844 844 G HN 0.592 nan 8.290 nan 0.000 0.571 845 E N 0.653 120.875 120.200 0.037 0.000 2.752 845 E HA -0.081 4.269 4.350 0.000 0.000 0.241 845 E C 1.647 178.265 176.600 0.031 0.000 1.016 845 E CA 0.600 57.010 56.400 0.017 0.000 0.952 845 E CB 0.279 29.951 29.700 -0.047 0.000 0.921 845 E HN 0.546 nan 8.360 nan 0.000 0.515 846 T N 2.291 116.850 114.554 0.008 0.000 3.023 846 T HA -0.135 4.215 4.350 0.000 0.000 0.266 846 T C 1.618 176.224 174.700 -0.157 0.000 1.093 846 T CA 0.127 62.162 62.100 -0.107 0.000 1.129 846 T CB 0.060 68.770 68.868 -0.263 0.000 0.899 846 T HN 0.418 nan 8.240 nan 0.000 0.491 847 L N 1.367 122.449 121.223 -0.235 0.000 2.083 847 L HA 0.286 4.626 4.340 0.000 0.000 0.209 847 L C 2.690 179.485 176.870 -0.125 0.000 1.083 847 L CA 1.639 56.316 54.840 -0.273 0.000 0.752 847 L CB -1.089 40.706 42.059 -0.439 0.000 0.899 847 L HN 0.459 nan 8.230 nan 0.000 0.433 848 A N -1.860 120.932 122.820 -0.046 0.000 2.035 848 A HA 0.085 4.405 4.320 0.000 0.000 0.208 848 A C 0.981 178.705 177.584 0.233 0.000 1.206 848 A CA 0.548 52.655 52.037 0.117 0.000 0.773 848 A CB -0.238 18.761 19.000 -0.001 0.000 0.878 848 A HN 0.484 nan 8.150 nan 0.000 0.469 849 N N 1.034 119.790 118.700 0.093 0.000 2.688 849 N HA -0.137 4.603 4.740 0.000 0.000 0.258 849 N C -0.076 175.541 175.510 0.179 0.000 1.016 849 N CA 1.083 54.202 53.050 0.115 0.000 0.747 849 N CB -1.590 36.951 38.487 0.089 0.000 0.895 849 N HN 0.667 nan 8.380 nan 0.000 0.543 850 T N -0.683 113.875 114.554 0.007 0.000 2.728 850 T HA 0.531 4.881 4.350 0.000 0.000 0.296 850 T C 0.774 175.410 174.700 -0.107 0.000 0.940 850 T CA -1.028 60.990 62.100 -0.136 0.000 1.013 850 T CB 0.778 69.465 68.868 -0.301 0.000 0.912 850 T HN 0.170 nan 8.240 nan 0.000 0.484 851 L N 3.630 124.813 121.223 -0.067 0.000 2.479 851 L HA 0.499 4.839 4.340 0.000 0.000 0.270 851 L C 1.434 178.198 176.870 -0.177 0.000 1.236 851 L CA 0.643 55.396 54.840 -0.145 0.000 0.823 851 L CB -0.127 41.920 42.059 -0.020 0.000 1.098 851 L HN 0.975 nan 8.230 nan 0.000 0.500 852 G N 0.604 109.076 108.800 -0.547 0.000 2.510 852 G HA2 0.474 4.434 3.960 0.000 0.000 0.280 852 G HA3 0.474 4.434 3.960 0.000 0.000 0.280 852 G C -0.232 174.669 174.900 0.003 0.000 1.386 852 G CA -0.774 44.067 45.100 -0.431 0.000 1.047 852 G HN 0.528 nan 8.290 nan 0.000 0.527 853 R N -1.277 119.171 120.500 -0.086 0.000 2.560 853 R HA 0.490 4.830 4.340 0.000 0.000 0.270 853 R C 0.805 177.229 176.300 0.207 0.000 1.074 853 R CA 0.219 56.296 56.100 -0.038 0.000 1.140 853 R CB 0.885 31.022 30.300 -0.271 0.000 1.073 853 R HN 0.578 nan 8.270 nan 0.000 0.527 854 G N 0.124 109.067 108.800 0.238 0.000 2.583 854 G HA2 0.186 4.146 3.960 0.000 0.000 0.280 854 G HA3 0.186 4.146 3.960 0.000 0.000 0.280 854 G C -0.815 174.182 174.900 0.161 0.000 1.376 854 G CA -0.882 44.350 45.100 0.220 0.000 1.043 854 G HN 0.516 nan 8.290 nan 0.000 0.538 855 R N 0.076 120.657 120.500 0.136 0.000 2.638 855 R HA 0.049 4.389 4.340 0.000 0.000 0.351 855 R C -0.752 175.610 176.300 0.104 0.000 0.871 855 R CA 0.628 56.790 56.100 0.104 0.000 1.091 855 R CB -0.745 29.602 30.300 0.079 0.000 0.900 855 R HN 0.274 nan 8.270 nan 0.000 0.405 856 T N 4.620 119.228 114.554 0.090 0.000 2.864 856 T HA 0.229 4.579 4.350 0.000 0.000 0.310 856 T C -0.409 174.332 174.700 0.068 0.000 1.040 856 T CA -0.632 61.516 62.100 0.079 0.000 0.977 856 T CB 1.417 70.320 68.868 0.058 0.000 0.976 856 T HN 0.228 nan 8.240 nan 0.000 0.459 857 V N 5.313 125.267 119.914 0.066 0.000 2.546 857 V HA 0.542 4.662 4.120 0.000 0.000 0.284 857 V C 0.075 176.205 176.094 0.059 0.000 1.050 857 V CA -0.429 61.907 62.300 0.061 0.000 0.981 857 V CB 0.948 32.804 31.823 0.055 0.000 0.990 857 V HN 0.957 nan 8.190 nan 0.000 0.474 858 Q N 3.114 122.950 119.800 0.061 0.000 2.426 858 Q HA 0.796 5.136 4.340 0.000 0.000 0.278 858 Q C -0.692 175.348 176.000 0.067 0.000 1.007 858 Q CA -0.979 54.859 55.803 0.059 0.000 0.850 858 Q CB 2.502 31.271 28.738 0.051 0.000 1.427 858 Q HN 0.818 nan 8.270 nan 0.000 0.391 859 G N -0.469 108.369 108.800 0.063 0.000 2.704 859 G HA2 0.815 4.775 3.960 0.000 0.000 0.293 859 G HA3 0.815 4.775 3.960 0.000 0.000 0.293 859 G C -1.232 173.698 174.900 0.049 0.000 1.421 859 G CA -0.281 44.860 45.100 0.068 0.000 0.870 859 G HN 0.838 nan 8.290 nan 0.000 0.492 860 G N -1.681 107.148 108.800 0.048 0.000 2.721 860 G HA2 0.719 4.679 3.960 0.000 0.000 0.296 860 G HA3 0.719 4.679 3.960 0.000 0.000 0.296 860 G C -1.812 173.081 174.900 -0.012 0.000 1.383 860 G CA -0.486 44.593 45.100 -0.035 0.000 0.788 860 G HN 1.190 nan 8.290 nan 0.000 0.500 861 V N 0.072 119.933 119.914 -0.089 0.000 2.656 861 V HA 0.670 4.790 4.120 0.000 0.000 0.307 861 V C -0.562 175.551 176.094 0.032 0.000 1.051 861 V CA -0.724 61.583 62.300 0.012 0.000 0.893 861 V CB 1.757 33.599 31.823 0.031 0.000 0.999 861 V HN 0.871 nan 8.190 nan 0.000 0.426 862 E N 2.860 123.151 120.200 0.151 0.000 2.234 862 E HA 0.495 4.845 4.350 0.000 0.000 0.266 862 E C -2.212 174.530 176.600 0.237 0.000 0.877 862 E CA -0.674 55.858 56.400 0.221 0.000 0.758 862 E CB 2.140 31.985 29.700 0.241 0.000 1.170 862 E HN 0.686 nan 8.360 nan 0.000 0.415 863 Y N 4.607 124.986 120.300 0.133 0.000 2.338 863 Y HA 0.416 4.966 4.550 0.000 0.000 0.328 863 Y C -0.853 175.169 175.900 0.203 0.000 0.965 863 Y CA -0.666 57.529 58.100 0.159 0.000 1.208 863 Y CB 0.845 39.402 38.460 0.161 0.000 1.132 863 Y HN 0.489 nan 8.280 nan 0.000 0.469 864 R N 5.450 125.818 120.500 -0.220 0.000 2.573 864 R HA 0.700 5.040 4.340 0.000 0.000 0.272 864 R C -1.340 174.829 176.300 -0.219 0.000 1.009 864 R CA -0.586 55.399 56.100 -0.192 0.000 1.059 864 R CB 1.428 31.670 30.300 -0.096 0.000 1.112 864 R HN 0.679 nan 8.270 nan 0.000 0.517 865 F N 0.000 119.866 119.950 -0.141 0.000 2.286 865 F HA 0.000 4.527 4.527 0.000 0.000 0.279 865 F CA 0.000 57.943 58.000 -0.095 0.000 1.383 865 F CB 0.000 38.976 39.000 -0.040 0.000 1.145 865 F HN 0.000 nan 8.300 nan 0.000 0.574