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 3ddr_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 KPGLVQPSGG 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 0.000 175.583 175.510 0.122 0.000 1.280 113 N CA 0.000 53.114 53.050 0.107 0.000 0.885 113 N CB 0.000 38.515 38.487 0.046 0.000 1.341 114 D N 1.157 121.619 120.400 0.103 0.000 2.861 114 D HA 0.219 4.859 4.640 0.000 0.000 0.357 114 D C 0.989 177.286 176.300 -0.004 0.000 1.250 114 D CA -0.640 53.370 54.000 0.016 0.000 0.802 114 D CB -1.121 39.760 40.800 0.136 0.000 1.141 114 D HN 0.621 nan 8.370 nan 0.000 0.489 115 W N -0.187 121.110 121.300 -0.005 0.000 2.468 115 W HA -0.054 4.606 4.660 0.000 0.000 0.262 115 W C 0.894 177.375 176.519 -0.063 0.000 1.241 115 W CA -0.168 57.159 57.345 -0.030 0.000 1.232 115 W CB -1.028 28.394 29.460 -0.063 0.000 1.124 115 W HN 0.151 nan 8.180 nan 0.000 0.597 116 V N 1.804 121.116 119.914 -1.003 0.000 2.490 116 V HA -0.308 3.812 4.120 0.000 0.000 0.250 116 V C 1.832 177.539 176.094 -0.645 0.000 1.061 116 V CA 1.704 63.302 62.300 -1.171 0.000 1.064 116 V CB -0.733 30.259 31.823 -1.384 0.000 0.670 116 V HN 0.129 nan 8.190 nan 0.000 0.461 117 Y N -0.606 119.505 120.300 -0.315 0.000 2.578 117 Y HA 0.055 4.606 4.550 0.000 0.000 0.297 117 Y C 1.782 177.606 175.900 -0.127 0.000 1.176 117 Y CA 1.023 59.006 58.100 -0.196 0.000 1.315 117 Y CB -0.113 38.252 38.460 -0.157 0.000 1.031 117 Y HN 0.349 nan 8.280 nan 0.000 0.524 118 D N -0.368 120.031 120.400 -0.002 0.000 2.431 118 D HA 0.047 4.687 4.640 0.000 0.000 0.213 118 D C -0.428 175.858 176.300 -0.024 0.000 1.130 118 D CA 0.170 54.183 54.000 0.021 0.000 0.834 118 D CB 0.307 41.148 40.800 0.067 0.000 0.985 118 D HN 0.054 nan 8.370 nan 0.000 0.504 119 E N 0.202 120.336 120.200 -0.111 0.000 2.171 119 E HA 0.371 4.721 4.350 0.000 0.000 0.271 119 E C -2.423 173.971 176.600 -0.343 0.000 0.916 119 E CA -2.632 53.677 56.400 -0.152 0.000 0.774 119 E CB 1.845 31.479 29.700 -0.110 0.000 1.128 119 E HN -0.118 nan 8.360 nan 0.000 0.403 120 P HA 0.128 nan 4.420 nan 0.000 0.230 120 P C -1.255 175.552 177.300 -0.822 0.000 1.791 120 P CA 0.073 62.792 63.100 -0.635 0.000 1.020 120 P CB -0.441 31.140 31.700 -0.199 0.000 1.977 121 R N -2.192 117.662 120.500 -1.076 0.000 3.429 121 R HA 0.243 4.583 4.340 0.000 0.000 0.277 121 R C -1.635 174.486 176.300 -0.298 0.000 0.978 121 R CA -0.730 55.111 56.100 -0.432 0.000 0.891 121 R CB -0.585 29.582 30.300 -0.221 0.000 1.299 121 R HN -0.224 nan 8.270 nan 0.000 0.541 122 S N 1.160 116.786 115.700 -0.124 0.000 2.494 122 S HA 0.372 4.842 4.470 0.000 0.000 0.312 122 S C -0.471 173.991 174.600 -0.230 0.000 1.121 122 S CA -0.336 57.769 58.200 -0.158 0.000 1.068 122 S CB 0.374 63.506 63.200 -0.115 0.000 1.141 122 S HN 0.401 nan 8.310 nan 0.000 0.527 123 V N 3.348 123.077 119.914 -0.308 0.000 3.102 123 V HA 0.967 5.087 4.120 0.000 0.000 0.312 123 V C -0.635 175.193 176.094 -0.444 0.000 1.135 123 V CA -0.327 61.772 62.300 -0.335 0.000 1.022 123 V CB 2.540 34.182 31.823 -0.300 0.000 1.056 123 V HN 0.650 nan 8.190 nan 0.000 0.436 124 S N 1.957 117.411 115.700 -0.410 0.000 2.567 124 S HA 0.763 5.233 4.470 0.000 0.000 0.270 124 S C -1.483 172.919 174.600 -0.330 0.000 1.152 124 S CA 0.120 58.075 58.200 -0.409 0.000 0.835 124 S CB 1.604 64.618 63.200 -0.311 0.000 1.115 124 S HN 2.208 nan 8.310 nan 0.000 0.459 125 V N 1.903 121.641 119.914 -0.294 0.000 2.876 125 V HA 0.703 4.823 4.120 0.000 0.000 0.312 125 V C -1.075 174.922 176.094 -0.162 0.000 1.085 125 V CA -0.951 61.231 62.300 -0.196 0.000 0.945 125 V CB 1.814 33.568 31.823 -0.115 0.000 1.017 125 V HN 0.842 nan 8.190 nan 0.000 0.428 126 I N 4.690 125.167 120.570 -0.155 0.000 2.291 126 I HA 0.298 4.468 4.170 0.000 0.000 0.292 126 I C 1.034 177.089 176.117 -0.102 0.000 1.064 126 I CA 0.246 61.468 61.300 -0.129 0.000 1.269 126 I CB 0.812 38.727 38.000 -0.142 0.000 1.418 126 I HN 0.985 nan 8.210 nan 0.000 0.485 127 S N 5.849 121.498 115.700 -0.085 0.000 2.573 127 S HA 0.048 4.518 4.470 0.000 0.000 0.277 127 S C 1.226 175.777 174.600 -0.081 0.000 1.346 127 S CA -0.252 57.903 58.200 -0.076 0.000 1.034 127 S CB 1.388 64.546 63.200 -0.071 0.000 0.879 127 S HN 0.702 nan 8.310 nan 0.000 0.528 128 R N 1.556 122.006 120.500 -0.083 0.000 2.120 128 R HA -0.065 4.275 4.340 0.000 0.000 0.234 128 R C 2.017 178.258 176.300 -0.099 0.000 1.123 128 R CA 2.141 58.189 56.100 -0.088 0.000 0.975 128 R CB -0.552 29.692 30.300 -0.094 0.000 0.866 128 R HN 0.913 nan 8.270 nan 0.000 0.446 129 E N -0.215 119.923 120.200 -0.104 0.000 2.106 129 E HA -0.254 4.097 4.350 0.000 0.000 0.192 129 E C 1.889 178.407 176.600 -0.136 0.000 0.984 129 E CA 1.201 57.529 56.400 -0.120 0.000 0.806 129 E CB -0.154 29.474 29.700 -0.120 0.000 0.750 129 E HN 0.506 nan 8.360 nan 0.000 0.458 130 Q N 0.791 120.523 119.800 -0.113 0.000 2.084 130 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 130 Q C 2.093 178.038 176.000 -0.092 0.000 0.978 130 Q CA 1.350 57.089 55.803 -0.107 0.000 0.844 130 Q CB 0.002 28.696 28.738 -0.072 0.000 0.898 130 Q HN 0.283 nan 8.270 nan 0.000 0.426 131 M N 0.266 119.818 119.600 -0.079 0.000 2.549 131 M HA -0.102 4.378 4.480 0.000 0.000 0.260 131 M C 0.556 176.812 176.300 -0.074 0.000 1.076 131 M CA 0.660 55.923 55.300 -0.063 0.000 1.090 131 M CB 0.146 32.713 32.600 -0.055 0.000 1.418 131 M HN 0.109 nan 8.290 nan 0.000 0.486 132 D N 0.081 120.421 120.400 -0.099 0.000 2.262 132 D HA -0.007 4.633 4.640 0.000 0.000 0.212 132 D C 1.651 177.905 176.300 -0.077 0.000 0.964 132 D CA 0.784 54.721 54.000 -0.104 0.000 0.875 132 D CB -0.077 40.652 40.800 -0.119 0.000 0.996 132 D HN 0.261 nan 8.370 nan 0.000 0.497 133 N N 0.384 119.006 118.700 -0.129 0.000 2.333 133 N HA -0.022 4.718 4.740 0.000 0.000 0.178 133 N C 0.605 176.115 175.510 0.001 0.000 1.018 133 N CA 0.374 53.338 53.050 -0.143 0.000 0.882 133 N CB 0.413 38.550 38.487 -0.582 0.000 0.984 133 N HN 0.037 nan 8.380 nan 0.000 0.434 134 R N 1.308 121.802 120.500 -0.011 0.000 2.664 134 R HA 0.291 4.631 4.340 0.000 0.000 0.281 134 R C -2.615 173.698 176.300 0.023 0.000 1.383 134 R CA -1.629 54.496 56.100 0.042 0.000 1.563 134 R CB 0.796 31.125 30.300 0.048 0.000 1.131 134 R HN -0.054 nan 8.270 nan 0.000 0.599 135 P HA 0.012 nan 4.420 nan 0.000 0.265 135 P C -0.597 176.718 177.300 0.025 0.000 1.193 135 P CA 0.093 63.206 63.100 0.023 0.000 0.765 135 P CB 1.119 32.846 31.700 0.044 0.000 0.823 136 A N 3.659 126.491 122.820 0.021 0.000 2.280 136 A HA 0.426 4.746 4.320 0.000 0.000 0.268 136 A C 1.203 178.808 177.584 0.035 0.000 1.111 136 A CA -0.095 51.962 52.037 0.034 0.000 0.814 136 A CB 0.302 19.328 19.000 0.043 0.000 1.093 136 A HN 0.719 nan 8.150 nan 0.000 0.498 137 R N -1.213 119.323 120.500 0.060 0.000 2.507 137 R HA 0.199 4.539 4.340 0.000 0.000 0.230 137 R C 0.149 176.581 176.300 0.219 0.000 0.897 137 R CA 0.065 56.213 56.100 0.080 0.000 1.006 137 R CB 0.189 30.505 30.300 0.027 0.000 1.341 137 R HN 0.699 nan 8.270 nan 0.000 0.604 138 H N -0.001 119.117 119.070 0.079 0.000 2.600 138 H HA 0.468 5.024 4.556 0.000 0.000 0.357 138 H C 0.350 175.684 175.328 0.010 0.000 1.106 138 H CA 0.138 56.219 56.048 0.054 0.000 1.193 138 H CB 2.506 32.258 29.762 -0.016 0.000 1.594 138 H HN 0.111 nan 8.280 nan 0.000 0.526 139 A N 4.386 127.099 122.820 -0.177 0.000 1.896 139 A HA -0.283 4.037 4.320 0.000 0.000 0.220 139 A C 2.353 180.026 177.584 0.150 0.000 1.206 139 A CA 2.570 54.587 52.037 -0.033 0.000 0.647 139 A CB -1.164 17.725 19.000 -0.184 0.000 0.828 139 A HN 0.816 nan 8.150 nan 0.000 0.455 140 A N -0.120 122.926 122.820 0.377 0.000 2.032 140 A HA -0.227 4.093 4.320 0.000 0.000 0.221 140 A C 1.572 179.213 177.584 0.094 0.000 1.165 140 A CA 2.026 54.176 52.037 0.188 0.000 0.645 140 A CB -0.718 18.330 19.000 0.080 0.000 0.807 140 A HN 0.561 nan 8.150 nan 0.000 0.453 141 D N 0.355 120.823 120.400 0.113 0.000 2.178 141 D HA -0.179 4.461 4.640 0.000 0.000 0.201 141 D C 1.806 178.123 176.300 0.028 0.000 0.980 141 D CA 1.408 55.442 54.000 0.056 0.000 0.842 141 D CB -0.612 40.227 40.800 0.065 0.000 0.948 141 D HN 0.790 nan 8.370 nan 0.000 0.472 142 I N -1.683 118.908 120.570 0.034 0.000 2.850 142 I HA -0.151 4.019 4.170 0.000 0.000 0.266 142 I C 1.145 177.242 176.117 -0.034 0.000 1.257 142 I CA 0.828 62.131 61.300 0.004 0.000 1.465 142 I CB -0.035 37.976 38.000 0.018 0.000 1.091 142 I HN -0.137 nan 8.210 nan 0.000 0.467 143 L N 1.177 122.378 121.223 -0.037 0.000 2.558 143 L HA 0.119 4.459 4.340 0.000 0.000 0.225 143 L C 2.206 178.991 176.870 -0.142 0.000 1.128 143 L CA 1.118 55.901 54.840 -0.095 0.000 0.868 143 L CB -0.887 41.121 42.059 -0.085 0.000 1.006 143 L HN 0.281 nan 8.230 nan 0.000 0.454 144 E N -0.624 119.516 120.200 -0.100 0.000 2.338 144 E HA -0.150 4.200 4.350 0.000 0.000 0.197 144 E C 0.911 177.426 176.600 -0.141 0.000 1.007 144 E CA 0.553 56.883 56.400 -0.117 0.000 0.849 144 E CB 0.125 29.798 29.700 -0.045 0.000 0.774 144 E HN 0.577 nan 8.360 nan 0.000 0.506 145 Q N 0.187 119.917 119.800 -0.116 0.000 2.186 145 Q HA 0.092 4.432 4.340 0.000 0.000 0.241 145 Q C -0.774 175.151 176.000 -0.126 0.000 0.849 145 Q CA 0.047 55.790 55.803 -0.100 0.000 1.053 145 Q CB 1.242 29.953 28.738 -0.044 0.000 1.146 145 Q HN 0.003 nan 8.270 nan 0.000 0.475 146 T N 0.009 114.451 114.554 -0.185 0.000 2.840 146 T HA 0.254 4.604 4.350 0.000 0.000 0.287 146 T C 0.164 174.709 174.700 -0.257 0.000 0.991 146 T CA -0.859 61.120 62.100 -0.201 0.000 0.964 146 T CB 1.446 70.190 68.868 -0.206 0.000 0.954 146 T HN 0.168 nan 8.240 nan 0.000 0.438 147 T N 0.164 114.592 114.554 -0.210 0.000 2.902 147 T HA 0.449 4.799 4.350 0.000 0.000 0.301 147 T C 1.582 176.139 174.700 -0.238 0.000 1.012 147 T CA 0.363 62.338 62.100 -0.209 0.000 1.151 147 T CB 0.372 69.173 68.868 -0.112 0.000 0.946 147 T HN 1.603 nan 8.240 nan 0.000 0.542 148 G N 1.673 110.328 108.800 -0.241 0.000 2.199 148 G HA2 0.016 3.976 3.960 0.000 0.000 0.254 148 G HA3 0.016 3.976 3.960 0.000 0.000 0.254 148 G C 0.217 174.989 174.900 -0.213 0.000 0.982 148 G CA -0.113 44.873 45.100 -0.190 0.000 0.632 148 G HN 1.586 nan 8.290 nan 0.000 0.529 149 A N -0.329 122.247 122.820 -0.406 0.000 2.292 149 A HA 0.900 5.220 4.320 0.000 0.000 0.319 149 A C -0.616 176.611 177.584 -0.595 0.000 1.206 149 A CA -0.332 51.492 52.037 -0.354 0.000 0.835 149 A CB 0.956 19.784 19.000 -0.287 0.000 1.164 149 A HN 0.847 nan 8.150 nan 0.000 0.505 150 Y N -0.127 120.071 120.300 -0.170 0.000 2.670 150 Y HA 0.637 5.187 4.550 0.000 0.000 0.334 150 Y C 0.182 176.045 175.900 -0.061 0.000 1.185 150 Y CA -0.456 57.552 58.100 -0.154 0.000 1.053 150 Y CB 2.274 40.545 38.460 -0.316 0.000 1.298 150 Y HN 0.671 nan 8.280 nan 0.000 0.459 151 S N 0.188 116.011 115.700 0.206 0.000 2.619 151 S HA 0.372 4.842 4.470 0.000 0.000 0.280 151 S C -1.075 173.654 174.600 0.215 0.000 1.150 151 S CA -0.592 57.704 58.200 0.160 0.000 0.978 151 S CB 1.003 64.238 63.200 0.058 0.000 1.041 151 S HN 0.548 nan 8.310 nan 0.000 0.485 152 S N 3.439 119.269 115.700 0.216 0.000 4.051 152 S HA 0.169 4.639 4.470 0.000 0.000 0.215 152 S C -0.028 174.578 174.600 0.010 0.000 1.289 152 S CA -0.086 58.162 58.200 0.081 0.000 0.907 152 S CB -0.684 62.550 63.200 0.057 0.000 1.603 152 S HN 0.617 nan 8.310 nan 0.000 0.453 153 V N 3.034 122.936 119.914 -0.021 0.000 2.532 153 V HA 0.717 4.837 4.120 0.000 0.000 0.295 153 V C -0.105 175.910 176.094 -0.132 0.000 1.041 153 V CA -0.380 61.852 62.300 -0.114 0.000 0.926 153 V CB 2.070 33.770 31.823 -0.206 0.000 0.992 153 V HN 0.479 nan 8.190 nan 0.000 0.457 154 S N 4.678 120.279 115.700 -0.166 0.000 2.605 154 S HA 0.378 4.848 4.470 0.000 0.000 0.308 154 S C 0.369 174.846 174.600 -0.204 0.000 1.113 154 S CA -0.671 57.435 58.200 -0.156 0.000 1.049 154 S CB 1.848 64.983 63.200 -0.108 0.000 1.001 154 S HN 0.807 nan 8.310 nan 0.000 0.480 155 Q N 2.952 122.634 119.800 -0.196 0.000 2.561 155 Q HA -0.045 4.295 4.340 0.000 0.000 0.217 155 Q C 1.087 177.039 176.000 -0.081 0.000 0.980 155 Q CA 1.203 56.934 55.803 -0.121 0.000 0.927 155 Q CB -0.052 28.691 28.738 0.008 0.000 0.980 155 Q HN 0.797 nan 8.270 nan 0.000 0.525 156 Q N -0.627 119.076 119.800 -0.162 0.000 2.378 156 Q HA 0.046 4.386 4.340 0.000 0.000 0.216 156 Q C -0.083 175.825 176.000 -0.154 0.000 0.892 156 Q CA 0.041 55.732 55.803 -0.187 0.000 0.931 156 Q CB 0.729 29.301 28.738 -0.277 0.000 1.086 156 Q HN 0.061 nan 8.270 nan 0.000 0.528 157 D N 0.714 121.047 120.400 -0.112 0.000 2.414 157 D HA 0.161 4.801 4.640 0.000 0.000 0.232 157 D C -2.091 174.170 176.300 -0.064 0.000 1.070 157 D CA -2.370 51.573 54.000 -0.095 0.000 0.839 157 D CB 1.752 42.517 40.800 -0.058 0.000 1.079 157 D HN -0.176 nan 8.370 nan 0.000 0.521 158 P HA 0.072 nan 4.420 nan 0.000 0.234 158 P C -0.008 176.979 177.300 -0.523 0.000 1.167 158 P CA 0.191 62.910 63.100 -0.636 0.000 0.763 158 P CB 0.084 31.155 31.700 -1.048 0.000 0.835 159 A N 0.137 122.764 122.820 -0.321 0.000 2.492 159 A HA 0.232 4.552 4.320 0.000 0.000 0.236 159 A C -0.109 177.254 177.584 -0.368 0.000 1.078 159 A CA 0.215 51.862 52.037 -0.650 0.000 0.773 159 A CB -0.465 18.262 19.000 -0.455 0.000 1.023 159 A HN 0.188 nan 8.150 nan 0.000 0.504 160 L N 1.624 122.583 121.223 -0.440 0.000 2.349 160 L HA 0.603 4.943 4.340 0.000 0.000 0.278 160 L C 0.052 176.820 176.870 -0.170 0.000 0.996 160 L CA 0.135 54.852 54.840 -0.205 0.000 0.825 160 L CB 1.625 43.533 42.059 -0.251 0.000 1.243 160 L HN 0.660 nan 8.230 nan 0.000 0.412 161 S N 4.397 120.051 115.700 -0.076 0.000 2.454 161 S HA 0.757 5.227 4.470 0.000 0.000 0.306 161 S C -0.917 173.678 174.600 -0.008 0.000 1.100 161 S CA -0.553 57.613 58.200 -0.056 0.000 1.087 161 S CB 1.243 64.417 63.200 -0.042 0.000 1.019 161 S HN 0.456 nan 8.310 nan 0.000 0.480 162 V N 6.147 126.056 119.914 -0.008 0.000 2.370 162 V HA 0.431 4.551 4.120 0.000 0.000 0.279 162 V C 0.171 176.261 176.094 -0.006 0.000 1.029 162 V CA -0.898 61.409 62.300 0.011 0.000 0.870 162 V CB 1.217 33.059 31.823 0.032 0.000 0.984 162 V HN 0.894 nan 8.190 nan 0.000 0.451 163 N N 5.544 124.249 118.700 0.010 0.000 2.408 163 N HA 0.458 5.198 4.740 0.000 0.000 0.280 163 N C -1.031 174.449 175.510 -0.051 0.000 1.002 163 N CA -0.421 52.622 53.050 -0.012 0.000 0.907 163 N CB 1.567 40.067 38.487 0.022 0.000 1.161 163 N HN 0.597 nan 8.380 nan 0.000 0.488 164 I N 4.295 124.798 120.570 -0.111 0.000 2.371 164 I HA 0.285 4.455 4.170 0.000 0.000 0.282 164 I C 0.601 176.594 176.117 -0.207 0.000 1.031 164 I CA -0.436 60.768 61.300 -0.160 0.000 1.180 164 I CB 0.573 38.453 38.000 -0.201 0.000 1.336 164 I HN 0.590 nan 8.210 nan 0.000 0.467 165 R N 3.879 124.300 120.500 -0.132 0.000 3.774 165 R HA -0.181 4.159 4.340 0.000 0.000 0.320 165 R C 0.958 177.243 176.300 -0.025 0.000 1.175 165 R CA 0.506 56.541 56.100 -0.109 0.000 0.849 165 R CB -1.924 28.183 30.300 -0.321 0.000 1.365 165 R HN 1.097 nan 8.270 nan 0.000 0.502 166 G N -0.453 108.270 108.800 -0.129 0.000 2.213 166 G HA2 -0.274 3.686 3.960 0.000 0.000 0.226 166 G HA3 -0.274 3.686 3.960 0.000 0.000 0.226 166 G C 0.255 175.187 174.900 0.052 0.000 0.992 166 G CA 0.079 45.180 45.100 0.001 0.000 0.632 166 G HN 0.284 nan 8.290 nan 0.000 0.511 167 I N 1.201 121.597 120.570 -0.290 0.000 2.396 167 I HA 0.449 4.619 4.170 0.000 0.000 0.292 167 I C 1.170 177.234 176.117 -0.089 0.000 0.999 167 I CA 0.622 61.733 61.300 -0.315 0.000 1.310 167 I CB 1.605 39.267 38.000 -0.564 0.000 1.404 167 I HN 0.499 nan 8.210 nan 0.000 0.496 168 Q N 2.709 122.521 119.800 0.019 0.000 1.891 168 Q HA 0.197 4.537 4.340 0.000 0.000 0.206 168 Q C -0.886 175.097 176.000 -0.028 0.000 0.710 168 Q CA -0.359 55.450 55.803 0.010 0.000 0.840 168 Q CB 0.809 29.595 28.738 0.080 0.000 1.211 168 Q HN 0.491 nan 8.270 nan 0.000 0.424 169 D N -0.048 120.333 120.400 -0.031 0.000 2.392 169 D HA 0.284 4.924 4.640 0.000 0.000 0.246 169 D C -0.778 175.481 176.300 -0.069 0.000 1.013 169 D CA -0.492 53.446 54.000 -0.104 0.000 0.993 169 D CB 0.637 41.390 40.800 -0.079 0.000 1.219 169 D HN 0.121 nan 8.370 nan 0.000 0.538 170 Y N 0.656 120.872 120.300 -0.139 0.000 3.108 170 Y HA -0.163 4.387 4.550 0.000 0.000 0.208 170 Y C 1.420 177.235 175.900 -0.141 0.000 1.245 170 Y CA 0.966 58.969 58.100 -0.163 0.000 1.171 170 Y CB -1.753 36.573 38.460 -0.224 0.000 1.331 170 Y HN 0.767 nan 8.280 nan 0.000 0.534 171 G N -0.858 107.923 108.800 -0.031 0.000 2.155 171 G HA2 -0.412 3.548 3.960 0.000 0.000 0.257 171 G HA3 -0.412 3.548 3.960 0.000 0.000 0.257 171 G C 1.306 176.173 174.900 -0.055 0.000 0.983 171 G CA 0.505 45.580 45.100 -0.041 0.000 0.676 171 G HN 0.555 nan 8.290 nan 0.000 0.528 172 R N -0.934 119.528 120.500 -0.064 0.000 2.096 172 R HA 0.080 4.420 4.340 0.000 0.000 0.235 172 R C 0.924 177.169 176.300 -0.092 0.000 1.127 172 R CA 1.396 57.447 56.100 -0.082 0.000 0.968 172 R CB 0.036 30.287 30.300 -0.081 0.000 0.861 172 R HN 0.358 nan 8.270 nan 0.000 0.440 173 V N 2.656 122.517 119.914 -0.089 0.000 2.328 173 V HA 0.056 4.176 4.120 0.000 0.000 0.278 173 V C -0.310 175.736 176.094 -0.079 0.000 1.021 173 V CA -0.862 61.382 62.300 -0.092 0.000 0.838 173 V CB 1.239 33.009 31.823 -0.089 0.000 0.999 173 V HN 0.166 nan 8.190 nan 0.000 0.447 174 N N 6.387 125.036 118.700 -0.084 0.000 2.410 174 N HA 0.109 4.849 4.740 0.000 0.000 0.281 174 N C -0.195 175.280 175.510 -0.058 0.000 1.241 174 N CA 0.307 53.305 53.050 -0.087 0.000 0.998 174 N CB 0.094 38.520 38.487 -0.101 0.000 1.376 174 N HN 0.599 nan 8.380 nan 0.000 0.490 175 M N 2.890 122.465 119.600 -0.042 0.000 2.162 175 M HA 0.164 4.644 4.480 0.000 0.000 0.356 175 M C 0.049 176.338 176.300 -0.018 0.000 1.303 175 M CA -0.162 55.148 55.300 0.016 0.000 1.116 175 M CB 0.354 32.945 32.600 -0.015 0.000 1.632 175 M HN 0.554 nan 8.290 nan 0.000 0.469 176 N N 2.445 121.172 118.700 0.045 0.000 2.484 176 N HA 0.670 5.411 4.740 0.000 0.000 0.269 176 N C -1.715 173.816 175.510 0.035 0.000 1.237 176 N CA -0.934 52.097 53.050 -0.031 0.000 0.838 176 N CB 1.660 40.087 38.487 -0.100 0.000 1.593 176 N HN 0.573 nan 8.380 nan 0.000 0.485 177 I N 0.956 121.489 120.570 -0.062 0.000 2.355 177 I HA 0.283 4.453 4.170 0.000 0.000 0.288 177 I C -0.472 175.583 176.117 -0.103 0.000 0.999 177 I CA -0.575 60.703 61.300 -0.036 0.000 1.163 177 I CB 1.234 39.183 38.000 -0.084 0.000 1.316 177 I HN 0.667 nan 8.210 nan 0.000 0.454 178 D N 5.412 125.767 120.400 -0.075 0.000 2.751 178 D HA -0.209 4.431 4.640 0.000 0.000 0.233 178 D C 1.150 177.347 176.300 -0.171 0.000 1.149 178 D CA 1.600 55.535 54.000 -0.108 0.000 0.682 178 D CB -1.053 39.691 40.800 -0.095 0.000 1.068 178 D HN 1.142 nan 8.370 nan 0.000 0.429 179 G N -1.288 107.401 108.800 -0.185 0.000 2.225 179 G HA2 -0.359 3.601 3.960 0.000 0.000 0.254 179 G HA3 -0.359 3.601 3.960 0.000 0.000 0.254 179 G C 0.375 175.008 174.900 -0.445 0.000 0.988 179 G CA 0.387 45.343 45.100 -0.240 0.000 0.625 179 G HN 0.428 nan 8.290 nan 0.000 0.527 180 M N 1.647 120.905 119.600 -0.569 0.000 2.143 180 M HA 0.382 4.862 4.480 0.000 0.000 0.348 180 M C 0.753 176.831 176.300 -0.370 0.000 1.375 180 M CA -0.196 54.534 55.300 -0.951 0.000 1.124 180 M CB 0.754 32.948 32.600 -0.677 0.000 1.669 180 M HN 0.094 nan 8.290 nan 0.000 0.469 181 R N 2.644 123.042 120.500 -0.170 0.000 2.421 181 R HA 0.058 4.398 4.340 0.000 0.000 0.305 181 R C -0.360 175.913 176.300 -0.045 0.000 1.039 181 R CA -0.135 55.906 56.100 -0.098 0.000 1.003 181 R CB 0.401 30.588 30.300 -0.188 0.000 0.959 181 R HN 0.480 nan 8.270 nan 0.000 0.427 182 Q N 2.613 122.367 119.800 -0.077 0.000 2.361 182 Q HA 0.110 4.450 4.340 0.000 0.000 0.250 182 Q C -0.045 175.936 176.000 -0.033 0.000 1.023 182 Q CA 0.062 55.830 55.803 -0.057 0.000 0.915 182 Q CB 0.929 29.606 28.738 -0.101 0.000 1.238 182 Q HN 0.455 nan 8.270 nan 0.000 0.451 183 N N 1.480 120.190 118.700 0.016 0.000 2.170 183 N HA 0.055 4.795 4.740 0.000 0.000 0.222 183 N C -0.426 175.110 175.510 0.043 0.000 1.218 183 N CA -0.163 52.899 53.050 0.020 0.000 0.889 183 N CB 0.461 38.976 38.487 0.046 0.000 1.083 183 N HN 0.395 nan 8.380 nan 0.000 0.520 184 F N 2.433 122.346 119.950 -0.062 0.000 2.572 184 F HA 0.167 4.694 4.527 0.000 0.000 0.370 184 F C 0.504 176.258 175.800 -0.077 0.000 1.103 184 F CA 0.401 58.372 58.000 -0.048 0.000 1.286 184 F CB 0.668 39.654 39.000 -0.025 0.000 1.105 184 F HN -0.122 nan 8.300 nan 0.000 0.583 185 Q N 6.485 125.729 119.800 -0.927 0.000 2.345 185 Q HA 0.321 4.662 4.340 0.000 0.000 0.275 185 Q C -1.860 173.604 176.000 -0.894 0.000 1.063 185 Q CA -0.923 54.452 55.803 -0.714 0.000 0.819 185 Q CB 2.237 30.726 28.738 -0.414 0.000 1.356 185 Q HN 0.856 nan 8.270 nan 0.000 0.418 186 K N 2.297 122.389 120.400 -0.514 0.000 2.652 186 K HA 0.310 4.630 4.320 0.000 0.000 0.249 186 K C -1.137 175.395 176.600 -0.113 0.000 0.986 186 K CA -0.261 55.852 56.287 -0.289 0.000 0.867 186 K CB 1.557 33.989 32.500 -0.114 0.000 1.201 186 K HN 0.654 nan 8.250 nan 0.000 0.450 187 S N 1.457 117.122 115.700 -0.057 0.000 2.558 187 S HA 0.358 4.828 4.470 0.000 0.000 0.288 187 S C 0.358 174.953 174.600 -0.009 0.000 1.318 187 S CA 0.698 58.903 58.200 0.009 0.000 1.056 187 S CB 0.926 64.152 63.200 0.043 0.000 0.853 187 S HN 0.848 nan 8.310 nan 0.000 0.505 188 G N 1.376 110.174 108.800 -0.003 0.000 2.894 188 G HA2 0.269 4.229 3.960 0.000 0.000 0.164 188 G HA3 0.269 4.229 3.960 0.000 0.000 0.164 188 G C -0.661 174.195 174.900 -0.073 0.000 1.180 188 G CA -0.614 44.438 45.100 -0.080 0.000 0.997 188 G HN 0.688 nan 8.290 nan 0.000 0.572 189 H N 0.323 119.467 119.070 0.123 0.000 2.555 189 H HA 0.373 4.929 4.556 0.000 0.000 0.283 189 H C 1.844 177.182 175.328 0.017 0.000 1.037 189 H CA 0.967 57.107 56.048 0.154 0.000 1.169 189 H CB 0.331 30.122 29.762 0.048 0.000 1.375 189 H HN 1.077 nan 8.280 nan 0.000 0.582 190 G N 0.556 109.446 108.800 0.149 0.000 2.184 190 G HA2 -0.436 3.524 3.960 0.000 0.000 0.264 190 G HA3 -0.436 3.524 3.960 0.000 0.000 0.264 190 G C 1.147 176.091 174.900 0.073 0.000 0.975 190 G CA 0.769 45.923 45.100 0.090 0.000 0.642 190 G HN 0.425 nan 8.290 nan 0.000 0.536 191 Q N 0.022 119.907 119.800 0.142 0.000 2.045 191 Q HA -0.039 4.301 4.340 0.000 0.000 0.206 191 Q C 1.689 177.723 176.000 0.057 0.000 0.991 191 Q CA 2.024 57.918 55.803 0.152 0.000 0.851 191 Q CB -0.060 28.723 28.738 0.075 0.000 0.911 191 Q HN 0.866 nan 8.270 nan 0.000 0.418 192 R N 0.186 120.692 120.500 0.010 0.000 2.575 192 R HA 0.370 4.711 4.340 0.000 0.000 0.292 192 R C -1.434 174.793 176.300 -0.123 0.000 1.246 192 R CA -0.483 55.590 56.100 -0.045 0.000 0.973 192 R CB 0.545 30.823 30.300 -0.038 0.000 1.187 192 R HN -0.106 nan 8.270 nan 0.000 0.478 193 N N 2.197 120.765 118.700 -0.221 0.000 2.521 193 N HA 0.307 5.047 4.740 0.000 0.000 0.236 193 N C -0.322 174.815 175.510 -0.622 0.000 1.067 193 N CA 0.388 53.152 53.050 -0.476 0.000 0.939 193 N CB 1.536 39.587 38.487 -0.726 0.000 1.201 193 N HN 0.965 nan 8.380 nan 0.000 0.511 194 G N 0.742 109.295 108.800 -0.413 0.000 2.951 194 G HA2 -0.002 3.958 3.960 0.000 0.000 0.508 194 G HA3 -0.002 3.958 3.960 0.000 0.000 0.508 194 G C -0.523 174.273 174.900 -0.173 0.000 1.203 194 G CA -0.704 44.213 45.100 -0.305 0.000 1.209 194 G HN 0.528 nan 8.290 nan 0.000 0.552 195 T N -0.641 113.859 114.554 -0.089 0.000 2.841 195 T HA 0.911 5.261 4.350 0.000 0.000 0.296 195 T C 0.037 174.669 174.700 -0.113 0.000 1.166 195 T CA -0.304 61.726 62.100 -0.116 0.000 1.007 195 T CB 2.454 71.240 68.868 -0.137 0.000 1.253 195 T HN 1.908 nan 8.240 nan 0.000 0.511 196 M N -0.133 119.265 119.600 -0.337 0.000 2.683 196 M HA 0.747 5.227 4.480 0.000 0.000 0.274 196 M C -2.202 173.732 176.300 -0.610 0.000 1.272 196 M CA -1.247 53.851 55.300 -0.337 0.000 0.833 196 M CB 1.977 34.402 32.600 -0.292 0.000 1.708 196 M HN 0.664 nan 8.290 nan 0.000 0.463 197 Y N 0.821 120.955 120.300 -0.276 0.000 2.361 197 Y HA 0.822 5.372 4.550 0.000 0.000 0.337 197 Y C -1.079 174.650 175.900 -0.284 0.000 0.965 197 Y CA -0.735 57.197 58.100 -0.279 0.000 1.091 197 Y CB 2.163 40.470 38.460 -0.255 0.000 1.182 197 Y HN 0.695 nan 8.280 nan 0.000 0.450 198 I N 1.734 122.202 120.570 -0.170 0.000 2.752 198 I HA 0.286 4.456 4.170 0.000 0.000 0.295 198 I C -0.277 175.773 176.117 -0.112 0.000 1.219 198 I CA -0.295 60.892 61.300 -0.190 0.000 1.030 198 I CB 2.085 39.864 38.000 -0.369 0.000 1.259 198 I HN 0.651 nan 8.210 nan 0.000 0.423 199 D N 2.432 122.790 120.400 -0.069 0.000 2.367 199 D HA 0.021 4.661 4.640 0.000 0.000 0.207 199 D C 1.448 177.734 176.300 -0.023 0.000 1.034 199 D CA 1.450 55.425 54.000 -0.040 0.000 0.861 199 D CB 0.695 41.471 40.800 -0.040 0.000 0.943 199 D HN 0.676 nan 8.370 nan 0.000 0.515 200 S N -0.131 115.566 115.700 -0.005 0.000 2.025 200 S HA -0.351 4.119 4.470 0.000 0.000 0.231 200 S C 1.344 175.941 174.600 -0.004 0.000 1.075 200 S CA 1.967 60.176 58.200 0.015 0.000 1.586 200 S CB -1.520 61.688 63.200 0.013 0.000 2.055 200 S HN 0.244 nan 8.310 nan 0.000 0.569 201 E N 0.888 121.079 120.200 -0.014 0.000 2.274 201 E HA 0.231 4.581 4.350 0.000 0.000 0.194 201 E C 1.299 177.898 176.600 -0.002 0.000 0.996 201 E CA 1.330 57.721 56.400 -0.016 0.000 0.840 201 E CB -0.121 29.572 29.700 -0.011 0.000 0.772 201 E HN 0.826 nan 8.360 nan 0.000 0.491 202 L N 0.394 121.619 121.223 0.003 0.000 3.017 202 L HA 0.325 4.665 4.340 0.000 0.000 0.255 202 L C -0.356 176.527 176.870 0.022 0.000 1.247 202 L CA -0.264 54.584 54.840 0.014 0.000 1.038 202 L CB 0.331 42.392 42.059 0.003 0.000 1.380 202 L HN -0.082 nan 8.230 nan 0.000 0.548 203 L N -0.260 120.976 121.223 0.022 0.000 2.295 203 L HA 0.277 4.617 4.340 0.000 0.000 0.285 203 L C 1.497 178.369 176.870 0.004 0.000 1.035 203 L CA -0.171 54.685 54.840 0.027 0.000 0.806 203 L CB 2.061 44.151 42.059 0.051 0.000 1.214 203 L HN 0.146 nan 8.230 nan 0.000 0.426 204 S N 1.673 117.369 115.700 -0.006 0.000 2.406 204 S HA 0.199 4.669 4.470 0.000 0.000 0.228 204 S C 0.710 175.278 174.600 -0.053 0.000 1.020 204 S CA 0.526 58.704 58.200 -0.036 0.000 0.965 204 S CB 0.108 63.281 63.200 -0.045 0.000 0.798 204 S HN 0.954 nan 8.310 nan 0.000 0.488 205 G N -0.823 107.947 108.800 -0.050 0.000 2.321 205 G HA2 0.411 4.371 3.960 0.000 0.000 0.298 205 G HA3 0.411 4.371 3.960 0.000 0.000 0.298 205 G C -1.882 172.946 174.900 -0.119 0.000 1.385 205 G CA -0.327 44.729 45.100 -0.075 0.000 0.856 205 G HN 0.671 nan 8.290 nan 0.000 0.584 206 V N 0.399 120.201 119.914 -0.186 0.000 2.588 206 V HA 0.803 4.923 4.120 0.000 0.000 0.304 206 V C 0.212 176.143 176.094 -0.272 0.000 1.042 206 V CA -0.149 61.942 62.300 -0.348 0.000 0.877 206 V CB 1.712 33.185 31.823 -0.582 0.000 0.996 206 V HN 1.428 nan 8.190 nan 0.000 0.425 207 T N 2.731 117.132 114.554 -0.254 0.000 2.786 207 T HA 0.704 5.054 4.350 0.000 0.000 0.283 207 T C -0.641 173.929 174.700 -0.217 0.000 0.992 207 T CA -0.385 61.617 62.100 -0.164 0.000 0.954 207 T CB 0.797 69.668 68.868 0.006 0.000 0.934 207 T HN 0.441 nan 8.240 nan 0.000 0.440 208 I N 4.040 124.474 120.570 -0.226 0.000 2.313 208 I HA 0.216 4.386 4.170 0.000 0.000 0.286 208 I C 0.100 176.096 176.117 -0.201 0.000 1.091 208 I CA -0.625 60.541 61.300 -0.224 0.000 1.216 208 I CB 0.697 38.554 38.000 -0.238 0.000 1.434 208 I HN 0.668 nan 8.210 nan 0.000 0.487 209 D N 7.551 127.851 120.400 -0.166 0.000 2.402 209 D HA 0.117 4.757 4.640 0.000 0.000 0.235 209 D C 0.012 176.208 176.300 -0.172 0.000 1.226 209 D CA -0.007 53.901 54.000 -0.154 0.000 0.918 209 D CB 0.529 41.263 40.800 -0.111 0.000 1.043 209 D HN 0.338 nan 8.370 nan 0.000 0.506 210 K N 1.352 121.631 120.400 -0.201 0.000 2.154 210 K HA 0.602 4.922 4.320 0.000 0.000 0.264 210 K C 0.792 177.267 176.600 -0.208 0.000 1.008 210 K CA -0.468 55.681 56.287 -0.231 0.000 0.937 210 K CB 1.148 33.477 32.500 -0.285 0.000 1.002 210 K HN 0.553 nan 8.250 nan 0.000 0.469 211 G N 0.237 108.900 108.800 -0.227 0.000 2.526 211 G HA2 -0.193 3.767 3.960 0.000 0.000 0.250 211 G HA3 -0.193 3.767 3.960 0.000 0.000 0.250 211 G C -0.670 174.143 174.900 -0.143 0.000 1.289 211 G CA -0.408 44.587 45.100 -0.174 0.000 0.947 211 G HN 0.756 nan 8.290 nan 0.000 0.517 212 T N -1.563 112.921 114.554 -0.117 0.000 2.824 212 T HA 0.853 5.203 4.350 0.000 0.000 0.280 212 T C 0.385 175.019 174.700 -0.110 0.000 0.995 212 T CA 0.951 62.983 62.100 -0.114 0.000 1.009 212 T CB 1.568 70.368 68.868 -0.115 0.000 0.955 212 T HN 2.128 nan 8.240 nan 0.000 0.452 213 T N 0.603 115.096 114.554 -0.102 0.000 2.887 213 T HA 0.852 5.202 4.350 0.000 0.000 0.292 213 T C 0.288 174.929 174.700 -0.099 0.000 1.087 213 T CA -0.716 61.323 62.100 -0.102 0.000 1.009 213 T CB 1.560 70.362 68.868 -0.110 0.000 1.203 213 T HN 1.010 nan 8.240 nan 0.000 0.518 214 G N -1.603 107.130 108.800 -0.113 0.000 2.735 214 G HA2 0.739 4.699 3.960 0.000 0.000 0.301 214 G HA3 0.739 4.699 3.960 0.000 0.000 0.301 214 G C 0.428 175.162 174.900 -0.277 0.000 1.279 214 G CA -0.317 44.705 45.100 -0.130 0.000 1.019 214 G HN 1.693 nan 8.290 nan 0.000 0.497 215 G N -0.956 107.544 108.800 -0.500 0.000 2.806 215 G HA2 0.116 4.076 3.960 0.000 0.000 0.236 215 G HA3 0.116 4.076 3.960 0.000 0.000 0.236 215 G C 0.335 174.630 174.900 -1.009 0.000 1.387 215 G CA 0.258 44.579 45.100 -1.299 0.000 0.884 215 G HN 1.458 nan 8.290 nan 0.000 0.560 216 M N 1.379 120.353 119.600 -1.043 0.000 2.286 216 M HA 0.390 4.870 4.480 0.000 0.000 0.365 216 M C 1.587 177.777 176.300 -0.182 0.000 1.443 216 M CA 2.506 57.627 55.300 -0.297 0.000 0.951 216 M CB -0.423 32.147 32.600 -0.050 0.000 1.961 216 M HN 2.686 nan 8.290 nan 0.000 0.468 217 G N 2.356 111.107 108.800 -0.082 0.000 2.179 217 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 217 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 217 G C 0.773 175.624 174.900 -0.082 0.000 0.990 217 G CA 0.313 45.364 45.100 -0.082 0.000 0.646 217 G HN 0.694 nan 8.290 nan 0.000 0.517 218 S N -0.107 115.549 115.700 -0.073 0.000 2.492 218 S HA 0.462 4.932 4.470 0.000 0.000 0.218 218 S C 2.635 177.238 174.600 0.004 0.000 1.016 218 S CA 1.318 59.483 58.200 -0.059 0.000 0.916 218 S CB 0.015 63.162 63.200 -0.090 0.000 0.791 218 S HN 1.290 nan 8.310 nan 0.000 0.513 219 A N 1.849 124.710 122.820 0.068 0.000 1.848 219 A HA -0.054 4.266 4.320 0.000 0.000 0.217 219 A C 1.904 179.558 177.584 0.116 0.000 1.220 219 A CA 1.804 53.925 52.037 0.139 0.000 0.645 219 A CB -1.415 17.731 19.000 0.242 0.000 0.842 219 A HN 0.504 nan 8.150 nan 0.000 0.451 220 G N -0.711 108.157 108.800 0.114 0.000 3.452 220 G HA2 0.421 4.381 3.960 0.000 0.000 0.258 220 G HA3 0.421 4.381 3.960 0.000 0.000 0.258 220 G C -0.015 174.871 174.900 -0.024 0.000 1.305 220 G CA 0.515 45.643 45.100 0.047 0.000 1.514 220 G HN 0.359 nan 8.290 nan 0.000 0.593 221 T N 0.067 114.608 114.554 -0.021 0.000 2.863 221 T HA 0.476 4.826 4.350 0.000 0.000 0.285 221 T C 0.151 174.817 174.700 -0.057 0.000 1.009 221 T CA -0.378 61.691 62.100 -0.051 0.000 0.989 221 T CB 2.036 70.871 68.868 -0.055 0.000 1.004 221 T HN -0.050 nan 8.240 nan 0.000 0.455 222 L N 1.951 123.125 121.223 -0.082 0.000 2.815 222 L HA 0.449 4.789 4.340 0.000 0.000 0.241 222 L C 2.109 178.898 176.870 -0.134 0.000 1.047 222 L CA 0.940 55.730 54.840 -0.084 0.000 0.939 222 L CB -0.412 41.611 42.059 -0.061 0.000 1.490 222 L HN 0.791 nan 8.230 nan 0.000 0.510 223 G N -1.324 107.376 108.800 -0.167 0.000 2.944 223 G HA2 0.523 4.483 3.960 0.000 0.000 0.220 223 G HA3 0.523 4.483 3.960 0.000 0.000 0.220 223 G C 0.581 175.361 174.900 -0.199 0.000 1.100 223 G CA 0.545 45.511 45.100 -0.223 0.000 0.780 223 G HN 0.586 nan 8.290 nan 0.000 0.539 224 G N -0.407 108.298 108.800 -0.158 0.000 2.340 224 G HA2 0.214 4.174 3.960 0.000 0.000 0.282 224 G HA3 0.214 4.174 3.960 0.000 0.000 0.282 224 G C -1.697 173.127 174.900 -0.128 0.000 1.312 224 G CA -0.805 44.205 45.100 -0.150 0.000 0.942 224 G HN 0.425 nan 8.290 nan 0.000 0.495 225 I N 0.458 120.951 120.570 -0.128 0.000 2.533 225 I HA 0.636 4.806 4.170 0.000 0.000 0.290 225 I C 0.188 176.232 176.117 -0.122 0.000 1.056 225 I CA -1.000 60.232 61.300 -0.113 0.000 1.057 225 I CB 2.166 40.100 38.000 -0.110 0.000 1.240 225 I HN 0.947 nan 8.210 nan 0.000 0.423 226 A N 4.264 127.026 122.820 -0.096 0.000 2.399 226 A HA 0.625 4.945 4.320 0.000 0.000 0.327 226 A C -0.167 177.349 177.584 -0.113 0.000 1.367 226 A CA -0.434 51.522 52.037 -0.136 0.000 0.842 226 A CB 0.271 19.230 19.000 -0.069 0.000 1.142 226 A HN 0.653 nan 8.150 nan 0.000 0.495 227 T N 2.397 116.835 114.554 -0.194 0.000 2.771 227 T HA 0.488 4.838 4.350 0.000 0.000 0.291 227 T C -0.647 173.903 174.700 -0.250 0.000 0.954 227 T CA 0.351 62.374 62.100 -0.128 0.000 1.045 227 T CB -0.015 68.784 68.868 -0.116 0.000 0.917 227 T HN 0.322 nan 8.240 nan 0.000 0.484 228 F N 3.299 123.189 119.950 -0.100 0.000 2.388 228 F HA 0.372 4.899 4.527 0.000 0.000 0.358 228 F C 0.792 176.538 175.800 -0.090 0.000 1.122 228 F CA -1.020 56.925 58.000 -0.091 0.000 1.056 228 F CB 0.966 39.909 39.000 -0.094 0.000 1.155 228 F HN 0.384 nan 8.300 nan 0.000 0.461 229 N N 2.056 120.773 118.700 0.028 0.000 2.425 229 N HA 0.235 4.975 4.740 0.000 0.000 0.268 229 N C -0.395 175.120 175.510 0.008 0.000 0.991 229 N CA -0.290 52.755 53.050 -0.008 0.000 0.931 229 N CB 1.739 40.195 38.487 -0.052 0.000 1.130 229 N HN 0.537 nan 8.380 nan 0.000 0.493 230 T N -1.675 112.880 114.554 0.002 0.000 2.889 230 T HA 0.258 4.608 4.350 0.000 0.000 0.291 230 T C 0.814 175.523 174.700 0.015 0.000 0.995 230 T CA -0.734 61.371 62.100 0.009 0.000 1.092 230 T CB 0.956 69.822 68.868 -0.003 0.000 0.954 230 T HN 0.135 nan 8.240 nan 0.000 0.506 231 V N 3.347 123.286 119.914 0.041 0.000 2.877 231 V HA 0.002 4.122 4.120 0.000 0.000 0.294 231 V C 0.739 176.889 176.094 0.094 0.000 1.280 231 V CA 0.869 63.230 62.300 0.100 0.000 1.372 231 V CB 0.110 32.018 31.823 0.141 0.000 0.867 231 V HN 1.125 nan 8.190 nan 0.000 0.513 232 S N 3.081 118.858 115.700 0.127 0.000 2.638 232 S HA 0.651 5.121 4.470 0.000 0.000 0.302 232 S C 1.000 175.697 174.600 0.162 0.000 1.096 232 S CA -0.092 58.160 58.200 0.086 0.000 0.953 232 S CB 1.881 65.092 63.200 0.018 0.000 1.107 232 S HN 0.962 nan 8.310 nan 0.000 0.503 233 A N 1.329 124.198 122.820 0.083 0.000 2.019 233 A HA -0.085 4.235 4.320 0.000 0.000 0.219 233 A C 2.071 179.724 177.584 0.115 0.000 1.164 233 A CA 2.011 54.101 52.037 0.089 0.000 0.644 233 A CB -0.925 18.080 19.000 0.010 0.000 0.805 233 A HN 0.878 nan 8.150 nan 0.000 0.449 234 S N -0.225 115.504 115.700 0.048 0.000 2.489 234 S HA -0.078 4.392 4.470 0.000 0.000 0.228 234 S C 0.814 175.372 174.600 -0.070 0.000 0.995 234 S CA 0.979 59.173 58.200 -0.010 0.000 0.934 234 S CB -0.292 62.882 63.200 -0.042 0.000 0.771 234 S HN 0.497 nan 8.310 nan 0.000 0.522 235 D N 0.396 120.728 120.400 -0.113 0.000 2.363 235 D HA 0.153 4.793 4.640 0.000 0.000 0.220 235 D C 0.351 176.191 176.300 -0.768 0.000 0.994 235 D CA 0.591 54.308 54.000 -0.471 0.000 0.890 235 D CB -0.121 40.272 40.800 -0.678 0.000 0.906 235 D HN 0.579 nan 8.370 nan 0.000 0.530 236 F N -0.728 119.156 119.950 -0.111 0.000 2.876 236 F HA 0.261 4.788 4.527 0.000 0.000 0.344 236 F C 0.762 176.497 175.800 -0.107 0.000 1.029 236 F CA -0.259 57.656 58.000 -0.141 0.000 1.154 236 F CB 0.882 39.770 39.000 -0.186 0.000 1.040 236 F HN -0.246 nan 8.300 nan 0.000 0.576 237 L N 0.137 121.402 121.223 0.069 0.000 2.313 237 L HA 0.937 5.277 4.340 0.000 0.000 0.268 237 L C -0.272 176.593 176.870 -0.008 0.000 1.010 237 L CA -1.037 53.822 54.840 0.032 0.000 0.814 237 L CB 1.841 43.919 42.059 0.032 0.000 1.304 237 L HN -0.047 nan 8.230 nan 0.000 0.441 238 A N 0.836 123.653 122.820 -0.006 0.000 2.599 238 A HA 0.649 4.969 4.320 0.000 0.000 0.290 238 A C -2.460 175.119 177.584 -0.009 0.000 1.101 238 A CA -0.977 51.050 52.037 -0.017 0.000 0.674 238 A CB 1.029 20.015 19.000 -0.023 0.000 1.277 238 A HN 0.469 nan 8.150 nan 0.000 0.419 239 P HA -0.217 nan 4.420 nan 0.000 0.216 239 P C 1.711 179.010 177.300 -0.001 0.000 1.167 239 P CA 2.827 65.923 63.100 -0.007 0.000 0.933 239 P CB 0.010 31.704 31.700 -0.010 0.000 0.793 240 G N -0.625 108.175 108.800 -0.001 0.000 2.440 240 G HA2 -0.222 3.738 3.960 0.000 0.000 0.218 240 G HA3 -0.222 3.738 3.960 0.000 0.000 0.218 240 G C 0.744 175.651 174.900 0.012 0.000 1.154 240 G CA 0.376 45.479 45.100 0.005 0.000 0.767 240 G HN 0.283 nan 8.290 nan 0.000 0.552 241 K N 0.750 121.158 120.400 0.013 0.000 2.227 241 K HA 0.276 4.596 4.320 0.000 0.000 0.280 241 K C 0.313 176.929 176.600 0.028 0.000 1.041 241 K CA -0.162 56.141 56.287 0.026 0.000 0.905 241 K CB 0.891 33.410 32.500 0.031 0.000 1.068 241 K HN 0.174 nan 8.250 nan 0.000 0.470 242 E N 3.261 123.481 120.200 0.035 0.000 2.489 242 E HA 0.090 4.440 4.350 0.000 0.000 0.204 242 E C -0.366 176.260 176.600 0.043 0.000 1.006 242 E CA -0.036 56.382 56.400 0.030 0.000 0.936 242 E CB 0.660 30.374 29.700 0.023 0.000 1.002 242 E HN 0.388 nan 8.360 nan 0.000 0.488 243 L N 0.200 121.465 121.223 0.071 0.000 2.464 243 L HA 0.653 4.993 4.340 0.000 0.000 0.266 243 L C -0.914 176.054 176.870 0.162 0.000 0.965 243 L CA -0.485 54.420 54.840 0.109 0.000 0.833 243 L CB 1.768 43.901 42.059 0.123 0.000 1.296 243 L HN 0.022 nan 8.230 nan 0.000 0.405 244 G N 1.890 110.763 108.800 0.121 0.000 2.682 244 G HA2 0.827 4.787 3.960 0.000 0.000 0.290 244 G HA3 0.827 4.787 3.960 0.000 0.000 0.290 244 G C -1.078 173.581 174.900 -0.403 0.000 1.425 244 G CA -0.256 44.829 45.100 -0.025 0.000 0.807 244 G HN 1.036 nan 8.290 nan 0.000 0.482 245 G N -1.049 107.090 108.800 -1.101 0.000 2.320 245 G HA2 0.563 4.523 3.960 0.000 0.000 0.296 245 G HA3 0.563 4.523 3.960 0.000 0.000 0.296 245 G C -1.874 172.343 174.900 -1.139 0.000 1.306 245 G CA -0.409 43.936 45.100 -1.258 0.000 0.836 245 G HN 0.758 nan 8.290 nan 0.000 0.517 246 K N 0.615 120.686 120.400 -0.548 0.000 2.670 246 K HA 0.339 4.659 4.320 0.000 0.000 0.274 246 K C -1.157 175.497 176.600 0.090 0.000 1.068 246 K CA -0.574 55.649 56.287 -0.106 0.000 0.967 246 K CB 0.801 33.356 32.500 0.091 0.000 1.297 246 K HN 0.482 nan 8.250 nan 0.000 0.477 247 L N 4.318 125.704 121.223 0.272 0.000 2.292 247 L HA 0.459 4.799 4.340 0.000 0.000 0.284 247 L C 0.107 177.150 176.870 0.289 0.000 1.065 247 L CA -0.705 54.295 54.840 0.266 0.000 0.806 247 L CB 1.047 43.279 42.059 0.288 0.000 1.175 247 L HN 0.558 nan 8.230 nan 0.000 0.431 248 H N 2.700 121.846 119.070 0.127 0.000 2.806 248 H HA 0.762 5.318 4.556 0.000 0.000 0.367 248 H C -1.833 173.556 175.328 0.103 0.000 1.136 248 H CA -0.566 55.546 56.048 0.106 0.000 1.178 248 H CB 2.311 32.111 29.762 0.063 0.000 1.718 248 H HN 0.751 nan 8.280 nan 0.000 0.540 249 A N 2.865 125.364 122.820 -0.535 0.000 2.549 249 A HA 0.618 4.938 4.320 0.000 0.000 0.297 249 A C -1.109 176.230 177.584 -0.408 0.000 1.061 249 A CA 0.010 51.856 52.037 -0.318 0.000 0.690 249 A CB 1.715 20.778 19.000 0.105 0.000 1.287 249 A HN 0.924 nan 8.150 nan 0.000 0.402 250 S N -0.061 115.526 115.700 -0.188 0.000 2.615 250 S HA 0.886 5.356 4.470 0.000 0.000 0.268 250 S C -0.680 173.969 174.600 0.082 0.000 1.146 250 S CA 0.193 58.359 58.200 -0.056 0.000 0.818 250 S CB 1.404 64.563 63.200 -0.069 0.000 1.111 250 S HN 2.222 nan 8.310 nan 0.000 0.465 251 T N -0.955 113.656 114.554 0.094 0.000 2.718 251 T HA 0.793 5.143 4.350 0.000 0.000 0.306 251 T C -0.442 174.313 174.700 0.091 0.000 1.485 251 T CA 0.134 62.309 62.100 0.126 0.000 0.997 251 T CB 0.953 69.917 68.868 0.159 0.000 1.504 251 T HN 1.961 nan 8.240 nan 0.000 0.497 252 G N 0.835 109.688 108.800 0.088 0.000 2.721 252 G HA2 0.603 4.563 3.960 0.000 0.000 0.296 252 G HA3 0.603 4.563 3.960 0.000 0.000 0.296 252 G C -1.365 173.582 174.900 0.078 0.000 1.383 252 G CA -0.286 44.858 45.100 0.073 0.000 0.788 252 G HN 0.870 nan 8.290 nan 0.000 0.500 253 D N -1.407 119.040 120.400 0.078 0.000 2.469 253 D HA 0.289 4.929 4.640 0.000 0.000 0.278 253 D C 0.642 177.000 176.300 0.095 0.000 1.231 253 D CA -0.785 53.273 54.000 0.095 0.000 1.075 253 D CB -0.009 40.848 40.800 0.096 0.000 1.121 253 D HN 0.423 nan 8.370 nan 0.000 0.571 254 N N -1.131 117.661 118.700 0.153 0.000 2.714 254 N HA -0.202 4.538 4.740 0.000 0.000 0.252 254 N C 0.943 176.513 175.510 0.100 0.000 1.014 254 N CA 1.853 55.028 53.050 0.208 0.000 0.735 254 N CB -1.310 37.311 38.487 0.223 0.000 0.924 254 N HN 1.036 nan 8.380 nan 0.000 0.540 255 G N -2.323 106.459 108.800 -0.030 0.000 2.217 255 G HA2 -0.279 3.681 3.960 0.000 0.000 0.246 255 G HA3 -0.279 3.681 3.960 0.000 0.000 0.246 255 G C 0.323 174.954 174.900 -0.448 0.000 0.990 255 G CA 0.439 45.375 45.100 -0.272 0.000 0.627 255 G HN 0.735 nan 8.290 nan 0.000 0.522 256 T N 2.182 116.622 114.554 -0.190 0.000 4.219 256 T HA 0.337 4.687 4.350 0.000 0.000 0.263 256 T C 1.396 176.090 174.700 -0.009 0.000 1.217 256 T CA 0.142 62.186 62.100 -0.093 0.000 1.145 256 T CB -0.044 68.820 68.868 -0.008 0.000 1.298 256 T HN 0.394 nan 8.240 nan 0.000 0.999 257 H N 1.169 120.303 119.070 0.107 0.000 2.357 257 H HA 0.180 4.736 4.556 0.000 0.000 0.301 257 H C 0.267 175.737 175.328 0.236 0.000 1.082 257 H CA 0.648 56.778 56.048 0.136 0.000 1.342 257 H CB 0.140 29.977 29.762 0.125 0.000 1.389 257 H HN 0.618 nan 8.280 nan 0.000 0.511 258 F N -0.503 119.537 119.950 0.150 0.000 2.660 258 F HA 0.347 4.874 4.527 0.000 0.000 0.320 258 F C -2.053 173.801 175.800 0.090 0.000 1.099 258 F CA -0.720 57.337 58.000 0.094 0.000 1.061 258 F CB 1.137 40.177 39.000 0.067 0.000 1.300 258 F HN -0.240 nan 8.300 nan 0.000 0.479 259 I N 5.872 126.065 120.570 -0.628 0.000 2.529 259 I HA 0.691 4.861 4.170 0.000 0.000 0.284 259 I C -0.307 175.366 176.117 -0.740 0.000 1.088 259 I CA -0.606 60.326 61.300 -0.613 0.000 1.062 259 I CB 1.763 39.642 38.000 -0.202 0.000 1.218 259 I HN 0.758 nan 8.210 nan 0.000 0.442 260 G N 3.312 111.608 108.800 -0.840 0.000 2.690 260 G HA2 0.819 4.779 3.960 0.000 0.000 0.291 260 G HA3 0.819 4.779 3.960 0.000 0.000 0.291 260 G C -1.378 173.475 174.900 -0.078 0.000 1.403 260 G CA -0.573 44.300 45.100 -0.379 0.000 0.864 260 G HN 0.584 nan 8.290 nan 0.000 0.480 261 S N -1.490 114.258 115.700 0.081 0.000 2.570 261 S HA 0.844 5.314 4.470 0.000 0.000 0.270 261 S C -0.503 174.163 174.600 0.110 0.000 1.149 261 S CA -0.377 57.877 58.200 0.089 0.000 0.837 261 S CB 1.866 65.109 63.200 0.072 0.000 1.124 261 S HN 1.801 nan 8.310 nan 0.000 0.465 262 G N 0.687 109.534 108.800 0.077 0.000 2.626 262 G HA2 0.669 4.629 3.960 0.000 0.000 0.304 262 G HA3 0.669 4.629 3.960 0.000 0.000 0.304 262 G C -1.073 173.819 174.900 -0.013 0.000 1.385 262 G CA -0.742 44.395 45.100 0.062 0.000 0.957 262 G HN 0.749 nan 8.290 nan 0.000 0.504 263 I N 2.119 122.628 120.570 -0.100 0.000 2.474 263 I HA 0.515 4.685 4.170 0.000 0.000 0.294 263 I C -0.607 175.312 176.117 -0.330 0.000 1.005 263 I CA -0.879 60.257 61.300 -0.274 0.000 1.113 263 I CB 2.343 40.037 38.000 -0.511 0.000 1.289 263 I HN 0.148 nan 8.210 nan 0.000 0.436 264 L N 5.516 126.573 121.223 -0.276 0.000 2.439 264 L HA 0.760 5.100 4.340 0.000 0.000 0.270 264 L C -1.039 175.723 176.870 -0.180 0.000 0.972 264 L CA -0.378 54.358 54.840 -0.173 0.000 0.836 264 L CB 1.740 43.784 42.059 -0.025 0.000 1.255 264 L HN 0.756 nan 8.230 nan 0.000 0.404 265 A N 5.219 127.938 122.820 -0.169 0.000 2.319 265 A HA 0.764 5.084 4.320 0.000 0.000 0.310 265 A C -1.553 176.018 177.584 -0.023 0.000 1.152 265 A CA -0.411 51.566 52.037 -0.101 0.000 0.783 265 A CB 1.413 20.356 19.000 -0.094 0.000 1.184 265 A HN 0.475 nan 8.150 nan 0.000 0.474 266 L N 1.290 122.499 121.223 -0.023 0.000 2.322 266 L HA 0.980 5.320 4.340 0.000 0.000 0.269 266 L C 0.558 177.412 176.870 -0.026 0.000 1.012 266 L CA 0.138 54.972 54.840 -0.010 0.000 0.815 266 L CB 1.872 43.923 42.059 -0.013 0.000 1.295 266 L HN 1.277 nan 8.230 nan 0.000 0.438 267 G N 0.966 109.755 108.800 -0.019 0.000 2.322 267 G HA2 0.297 4.257 3.960 0.000 0.000 0.289 267 G HA3 0.297 4.257 3.960 0.000 0.000 0.289 267 G C -1.168 173.724 174.900 -0.015 0.000 1.687 267 G CA -0.340 44.741 45.100 -0.031 0.000 0.944 267 G HN 0.794 nan 8.290 nan 0.000 0.718 268 N N -0.197 118.493 118.700 -0.018 0.000 2.929 268 N HA 0.429 5.169 4.740 0.000 0.000 0.301 268 N C 0.841 176.348 175.510 -0.005 0.000 1.344 268 N CA 0.297 53.344 53.050 -0.005 0.000 0.726 268 N CB 0.534 39.021 38.487 0.001 0.000 1.192 268 N HN 0.520 nan 8.380 nan 0.000 0.444 269 E N -1.688 118.513 120.200 0.003 0.000 2.526 269 E HA 0.106 4.456 4.350 0.000 0.000 0.208 269 E C 0.089 176.700 176.600 0.017 0.000 0.997 269 E CA 0.448 56.852 56.400 0.007 0.000 0.961 269 E CB 0.367 30.073 29.700 0.009 0.000 1.030 269 E HN 0.732 nan 8.360 nan 0.000 0.483 270 T N -2.420 112.146 114.554 0.021 0.000 3.040 270 T HA 0.457 4.807 4.350 0.000 0.000 0.266 270 T C 0.637 175.358 174.700 0.036 0.000 1.005 270 T CA 0.143 62.272 62.100 0.047 0.000 0.906 270 T CB 1.049 69.954 68.868 0.062 0.000 1.082 270 T HN 0.149 nan 8.240 nan 0.000 0.531 271 G N 0.937 109.724 108.800 -0.022 0.000 2.321 271 G HA2 0.507 4.467 3.960 0.000 0.000 0.296 271 G HA3 0.507 4.467 3.960 0.000 0.000 0.296 271 G C -2.449 172.380 174.900 -0.120 0.000 1.287 271 G CA -0.227 44.808 45.100 -0.108 0.000 0.846 271 G HN 0.690 nan 8.290 nan 0.000 0.508 272 D N -2.217 118.068 120.400 -0.193 0.000 2.842 272 D HA 0.467 5.107 4.640 0.000 0.000 0.248 272 D C -1.282 174.908 176.300 -0.183 0.000 1.140 272 D CA -0.423 53.492 54.000 -0.143 0.000 0.728 272 D CB 0.993 41.742 40.800 -0.085 0.000 1.595 272 D HN 1.173 nan 8.370 nan 0.000 0.450 273 I N 0.452 120.944 120.570 -0.131 0.000 2.545 273 I HA 0.764 4.934 4.170 0.000 0.000 0.292 273 I C -2.168 173.904 176.117 -0.074 0.000 1.040 273 I CA -0.982 60.250 61.300 -0.115 0.000 1.068 273 I CB 1.820 39.755 38.000 -0.109 0.000 1.251 273 I HN 0.562 nan 8.210 nan 0.000 0.424 274 L N 8.002 129.189 121.223 -0.061 0.000 2.349 274 L HA 0.653 4.993 4.340 0.000 0.000 0.278 274 L C -1.822 175.021 176.870 -0.046 0.000 0.996 274 L CA -0.540 54.262 54.840 -0.063 0.000 0.825 274 L CB 1.250 43.278 42.059 -0.052 0.000 1.243 274 L HN 0.655 nan 8.230 nan 0.000 0.412 275 L N 5.108 126.298 121.223 -0.056 0.000 2.329 275 L HA 0.971 5.311 4.340 0.000 0.000 0.279 275 L C -0.382 176.460 176.870 -0.047 0.000 1.014 275 L CA -0.659 54.164 54.840 -0.028 0.000 0.814 275 L CB 1.809 43.861 42.059 -0.012 0.000 1.257 275 L HN 0.862 nan 8.230 nan 0.000 0.424 276 A N 2.555 125.365 122.820 -0.017 0.000 2.594 276 A HA 0.899 5.219 4.320 0.000 0.000 0.296 276 A C -1.610 175.984 177.584 0.016 0.000 1.061 276 A CA -0.234 51.790 52.037 -0.022 0.000 0.689 276 A CB 1.856 20.823 19.000 -0.054 0.000 1.280 276 A HN 0.807 nan 8.150 nan 0.000 0.406 277 A N 0.631 123.468 122.820 0.028 0.000 2.549 277 A HA 0.951 5.271 4.320 0.000 0.000 0.297 277 A C -0.308 177.309 177.584 0.055 0.000 1.061 277 A CA 0.151 52.219 52.037 0.052 0.000 0.690 277 A CB 1.441 20.484 19.000 0.072 0.000 1.287 277 A HN 2.371 nan 8.150 nan 0.000 0.402 278 S N 0.835 116.567 115.700 0.054 0.000 2.570 278 S HA 0.861 5.331 4.470 0.000 0.000 0.286 278 S C -1.233 173.395 174.600 0.046 0.000 1.099 278 S CA -0.688 57.532 58.200 0.033 0.000 0.913 278 S CB 2.036 65.234 63.200 -0.003 0.000 1.085 278 S HN 0.606 nan 8.310 nan 0.000 0.480 279 E N 0.919 121.127 120.200 0.014 0.000 2.246 279 E HA 0.434 4.784 4.350 0.000 0.000 0.266 279 E C -1.178 175.340 176.600 -0.137 0.000 0.880 279 E CA -0.414 56.015 56.400 0.049 0.000 0.762 279 E CB 2.480 32.409 29.700 0.381 0.000 1.180 279 E HN 0.700 nan 8.360 nan 0.000 0.416 280 R N 2.516 122.827 120.500 -0.316 0.000 2.476 280 R HA 0.362 4.702 4.340 0.000 0.000 0.305 280 R C -1.111 174.830 176.300 -0.599 0.000 0.965 280 R CA -0.405 55.475 56.100 -0.366 0.000 0.867 280 R CB 0.821 30.914 30.300 -0.345 0.000 1.176 280 R HN 0.492 nan 8.270 nan 0.000 0.447 281 H N 6.359 125.344 119.070 -0.142 0.000 3.092 281 H HA 0.293 4.849 4.556 0.000 0.000 0.308 281 H C -0.836 174.483 175.328 -0.015 0.000 1.047 281 H CA -0.500 55.526 56.048 -0.038 0.000 1.466 281 H CB 1.290 31.138 29.762 0.143 0.000 1.597 281 H HN 0.337 nan 8.280 nan 0.000 0.512 282 L N 1.723 122.903 121.223 -0.071 0.000 2.342 282 L HA 0.644 4.984 4.340 0.000 0.000 0.271 282 L C 0.886 177.805 176.870 0.081 0.000 1.008 282 L CA -0.936 53.857 54.840 -0.078 0.000 0.818 282 L CB 2.278 44.214 42.059 -0.205 0.000 1.296 282 L HN 0.544 nan 8.230 nan 0.000 0.427 283 G N -0.101 108.676 108.800 -0.037 0.000 2.820 283 G HA2 0.401 4.361 3.960 0.000 0.000 0.291 283 G HA3 0.401 4.361 3.960 0.000 0.000 0.291 283 G C -1.122 173.836 174.900 0.096 0.000 1.323 283 G CA -0.538 44.617 45.100 0.092 0.000 1.055 283 G HN 0.476 nan 8.290 nan 0.000 0.520 284 D N -0.059 120.375 120.400 0.057 0.000 2.414 284 D HA 0.332 4.972 4.640 0.000 0.000 0.242 284 D C -0.385 175.852 176.300 -0.105 0.000 1.129 284 D CA 0.712 54.683 54.000 -0.047 0.000 0.885 284 D CB 0.946 41.666 40.800 -0.133 0.000 1.198 284 D HN 0.376 nan 8.370 nan 0.000 0.437 285 Y N -1.474 118.732 120.300 -0.157 0.000 2.509 285 Y HA 0.614 5.164 4.550 0.000 0.000 0.341 285 Y C -0.828 174.972 175.900 -0.166 0.000 1.038 285 Y CA -1.649 56.378 58.100 -0.121 0.000 1.089 285 Y CB 0.557 39.007 38.460 -0.017 0.000 1.241 285 Y HN 0.258 nan 8.280 nan 0.000 0.468 286 W N 3.638 125.061 121.300 0.204 0.000 2.218 286 W HA 0.517 5.177 4.660 0.000 0.000 0.326 286 W C -2.296 174.390 176.519 0.278 0.000 1.276 286 W CA -1.413 56.020 57.345 0.145 0.000 1.210 286 W CB 0.648 30.178 29.460 0.117 0.000 1.143 286 W HN 0.389 nan 8.180 nan 0.000 0.563 287 P HA 0.280 nan 4.420 nan 0.000 0.284 287 P C 0.166 177.646 177.300 0.300 0.000 1.292 287 P CA -0.564 62.749 63.100 0.354 0.000 0.800 287 P CB 0.517 32.350 31.700 0.221 0.000 1.188 288 G N 0.049 109.004 108.800 0.259 0.000 2.559 288 G HA2 -0.040 3.920 3.960 0.000 0.000 0.235 288 G HA3 -0.040 3.920 3.960 0.000 0.000 0.235 288 G C 0.543 175.557 174.900 0.189 0.000 1.266 288 G CA 0.134 45.372 45.100 0.229 0.000 0.847 288 G HN 0.546 nan 8.290 nan 0.000 0.583 289 N N -1.058 117.734 118.700 0.154 0.000 2.257 289 N HA 0.055 4.795 4.740 0.000 0.000 0.200 289 N C -0.047 175.529 175.510 0.109 0.000 1.163 289 N CA 0.286 53.410 53.050 0.122 0.000 0.891 289 N CB 0.387 38.927 38.487 0.087 0.000 1.067 289 N HN 0.318 nan 8.380 nan 0.000 0.497 290 K N 0.315 120.788 120.400 0.120 0.000 2.259 290 K HA 0.722 5.042 4.320 0.000 0.000 0.252 290 K C 0.231 176.910 176.600 0.132 0.000 0.936 290 K CA -0.608 55.746 56.287 0.112 0.000 0.810 290 K CB 1.456 34.017 32.500 0.102 0.000 1.143 290 K HN 0.169 nan 8.250 nan 0.000 0.427 291 G N 1.975 110.849 108.800 0.124 0.000 2.462 291 G HA2 -0.089 3.871 3.960 0.000 0.000 0.685 291 G HA3 -0.089 3.871 3.960 0.000 0.000 0.685 291 G C -1.725 173.260 174.900 0.142 0.000 1.295 291 G CA -0.913 44.269 45.100 0.138 0.000 0.941 291 G HN 0.448 nan 8.290 nan 0.000 0.554 292 D N -0.375 120.116 120.400 0.152 0.000 2.268 292 D HA 0.802 5.442 4.640 0.000 0.000 0.249 292 D C 1.157 177.565 176.300 0.180 0.000 1.008 292 D CA 0.415 54.513 54.000 0.164 0.000 0.939 292 D CB 1.828 42.715 40.800 0.144 0.000 1.170 292 D HN 0.918 nan 8.370 nan 0.000 0.468 293 I N -3.851 116.837 120.570 0.196 0.000 3.722 293 I HA 0.632 4.802 4.170 0.000 0.000 0.285 293 I C 0.365 176.585 176.117 0.173 0.000 1.140 293 I CA -1.437 59.968 61.300 0.176 0.000 1.178 293 I CB 0.657 38.738 38.000 0.136 0.000 1.359 293 I HN 0.309 nan 8.210 nan 0.000 0.456 294 G N 1.731 110.603 108.800 0.120 0.000 2.113 294 G HA2 -0.128 3.832 3.960 0.000 0.000 0.263 294 G HA3 -0.128 3.832 3.960 0.000 0.000 0.263 294 G C -0.008 175.000 174.900 0.181 0.000 0.954 294 G CA 0.695 45.839 45.100 0.074 0.000 0.996 294 G HN 0.778 nan 8.290 nan 0.000 0.381 295 N N 1.898 120.658 118.700 0.100 0.000 2.482 295 N HA 0.004 4.744 4.740 0.000 0.000 0.179 295 N C 1.938 177.462 175.510 0.023 0.000 1.039 295 N CA 0.119 53.216 53.050 0.078 0.000 0.884 295 N CB 0.138 38.604 38.487 -0.035 0.000 1.113 295 N HN 0.368 nan 8.380 nan 0.000 0.440 296 I N 0.226 120.768 120.570 -0.047 0.000 2.494 296 I HA 0.120 4.290 4.170 0.000 0.000 0.250 296 I C 2.207 178.280 176.117 -0.074 0.000 1.112 296 I CA 0.671 61.920 61.300 -0.086 0.000 1.438 296 I CB -1.078 36.824 38.000 -0.163 0.000 1.111 296 I HN 0.127 nan 8.210 nan 0.000 0.431 297 R N 1.779 122.223 120.500 -0.094 0.000 2.055 297 R HA 0.123 4.463 4.340 0.000 0.000 0.226 297 R C 0.793 177.053 176.300 -0.067 0.000 1.135 297 R CA 1.204 57.240 56.100 -0.108 0.000 0.959 297 R CB -0.556 29.651 30.300 -0.155 0.000 0.854 297 R HN 0.183 nan 8.270 nan 0.000 0.431 298 I N 2.277 122.839 120.570 -0.014 0.000 2.342 298 I HA 0.233 4.403 4.170 0.000 0.000 0.291 298 I C -0.043 176.233 176.117 0.264 0.000 1.010 298 I CA -0.314 60.997 61.300 0.018 0.000 1.308 298 I CB 0.894 38.842 38.000 -0.087 0.000 1.400 298 I HN 0.521 nan 8.210 nan 0.000 0.488 299 N N 4.144 123.025 118.700 0.302 0.000 3.362 299 N HA 0.007 4.747 4.740 0.000 0.000 0.374 299 N C -0.021 175.623 175.510 0.224 0.000 1.345 299 N CA -0.594 52.672 53.050 0.360 0.000 0.853 299 N CB 0.199 38.769 38.487 0.139 0.000 2.257 299 N HN 0.401 nan 8.380 nan 0.000 0.422 300 N N -0.018 118.744 118.700 0.104 0.000 2.848 300 N HA -0.240 4.500 4.740 0.000 0.000 0.236 300 N C -0.736 174.812 175.510 0.062 0.000 0.951 300 N CA 2.299 55.383 53.050 0.057 0.000 1.021 300 N CB -1.464 37.047 38.487 0.041 0.000 1.090 300 N HN 0.795 nan 8.380 nan 0.000 0.611 301 D N -3.070 117.390 120.400 0.099 0.000 3.044 301 D HA -0.211 4.430 4.640 0.000 0.000 0.223 301 D C 0.222 176.538 176.300 0.026 0.000 1.191 301 D CA 1.618 55.644 54.000 0.043 0.000 0.881 301 D CB -1.800 39.014 40.800 0.023 0.000 1.115 301 D HN 0.715 nan 8.370 nan 0.000 0.408 302 T N -3.046 111.549 114.554 0.068 0.000 4.354 302 T HA 0.403 4.753 4.350 0.000 0.000 0.234 302 T C 1.391 176.166 174.700 0.124 0.000 0.798 302 T CA 0.534 62.680 62.100 0.077 0.000 0.885 302 T CB 0.015 68.928 68.868 0.075 0.000 1.350 302 T HN 0.642 nan 8.240 nan 0.000 0.755 303 G N 0.619 109.450 108.800 0.052 0.000 3.382 303 G HA2 -0.045 3.915 3.960 0.000 0.000 0.214 303 G HA3 -0.045 3.915 3.960 0.000 0.000 0.214 303 G C -0.171 174.541 174.900 -0.315 0.000 1.025 303 G CA -0.259 44.850 45.100 0.016 0.000 0.869 303 G HN 0.709 nan 8.290 nan 0.000 0.458 304 N N -1.645 116.866 118.700 -0.314 0.000 4.111 304 N HA -0.130 4.610 4.740 0.000 0.000 0.258 304 N C 0.109 175.399 175.510 -0.366 0.000 2.128 304 N CA 0.686 53.566 53.050 -0.284 0.000 2.592 304 N CB -1.288 37.069 38.487 -0.216 0.000 0.499 304 N HN 0.418 nan 8.380 nan 0.000 0.525 305 Y N 2.823 123.018 120.300 -0.175 0.000 2.030 305 Y HA -0.261 4.289 4.550 0.000 0.000 0.274 305 Y C 1.813 177.685 175.900 -0.047 0.000 1.153 305 Y CA 2.469 60.541 58.100 -0.045 0.000 1.115 305 Y CB -0.059 38.400 38.460 -0.002 0.000 0.969 305 Y HN 0.604 nan 8.280 nan 0.000 0.488 306 D N -0.055 120.475 120.400 0.217 0.000 2.149 306 D HA -0.257 4.383 4.640 0.000 0.000 0.194 306 D C 2.301 178.577 176.300 -0.040 0.000 1.001 306 D CA 1.809 55.883 54.000 0.123 0.000 0.849 306 D CB -0.439 40.438 40.800 0.128 0.000 0.939 306 D HN 0.431 nan 8.370 nan 0.000 0.449 307 R N -0.588 119.850 120.500 -0.104 0.000 2.066 307 R HA -0.162 4.178 4.340 0.000 0.000 0.232 307 R C 2.282 178.558 176.300 -0.040 0.000 1.131 307 R CA 0.980 57.021 56.100 -0.098 0.000 0.955 307 R CB -0.208 29.997 30.300 -0.159 0.000 0.851 307 R HN 0.132 nan 8.270 nan 0.000 0.432 308 Y N 0.542 120.769 120.300 -0.121 0.000 2.014 308 Y HA -0.217 4.333 4.550 0.000 0.000 0.270 308 Y C 2.505 178.274 175.900 -0.218 0.000 1.145 308 Y CA 0.906 58.903 58.100 -0.170 0.000 1.106 308 Y CB -1.315 37.016 38.460 -0.215 0.000 0.968 308 Y HN 0.217 nan 8.280 nan 0.000 0.484 309 A N 0.179 122.881 122.820 -0.198 0.000 1.870 309 A HA -0.333 3.987 4.320 0.000 0.000 0.219 309 A C 2.308 179.847 177.584 -0.076 0.000 1.224 309 A CA 2.394 54.275 52.037 -0.261 0.000 0.650 309 A CB -1.094 17.584 19.000 -0.536 0.000 0.836 309 A HN 0.509 nan 8.150 nan 0.000 0.454 310 E N -0.135 120.040 120.200 -0.041 0.000 2.114 310 E HA -0.224 4.126 4.350 0.000 0.000 0.199 310 E C 2.303 178.929 176.600 0.044 0.000 1.008 310 E CA 1.643 58.056 56.400 0.020 0.000 0.810 310 E CB -0.331 29.385 29.700 0.026 0.000 0.739 310 E HN 0.553 nan 8.360 nan 0.000 0.456 311 S N -0.152 115.573 115.700 0.042 0.000 2.368 311 S HA -0.075 4.396 4.470 0.000 0.000 0.224 311 S C 2.199 176.844 174.600 0.076 0.000 1.029 311 S CA 0.902 59.142 58.200 0.066 0.000 0.988 311 S CB -0.219 63.025 63.200 0.072 0.000 0.838 311 S HN 0.324 nan 8.310 nan 0.000 0.462 312 I N 1.032 121.629 120.570 0.045 0.000 2.226 312 I HA -0.170 4.000 4.170 0.000 0.000 0.245 312 I C 2.161 178.353 176.117 0.125 0.000 1.100 312 I CA 1.294 62.639 61.300 0.074 0.000 1.374 312 I CB -0.147 37.863 38.000 0.018 0.000 1.057 312 I HN 0.277 nan 8.210 nan 0.000 0.413 313 K N 0.355 120.819 120.400 0.107 0.000 2.442 313 K HA -0.057 4.263 4.320 0.000 0.000 0.198 313 K C 0.678 177.386 176.600 0.180 0.000 1.042 313 K CA 0.647 57.015 56.287 0.136 0.000 0.958 313 K CB -0.058 32.508 32.500 0.110 0.000 0.766 313 K HN 0.306 nan 8.250 nan 0.000 0.474 314 N N 1.017 119.830 118.700 0.189 0.000 2.416 314 N HA 0.114 4.854 4.740 0.000 0.000 0.267 314 N C -1.071 174.676 175.510 0.395 0.000 1.294 314 N CA 0.042 53.240 53.050 0.247 0.000 0.891 314 N CB 0.586 39.164 38.487 0.152 0.000 1.238 314 N HN 0.104 nan 8.380 nan 0.000 0.508 315 N N 0.642 119.557 118.700 0.358 0.000 2.308 315 N HA 0.163 4.903 4.740 0.000 0.000 0.283 315 N C -0.677 174.767 175.510 -0.111 0.000 1.105 315 N CA -0.450 52.724 53.050 0.206 0.000 0.840 315 N CB 2.247 40.803 38.487 0.115 0.000 1.633 315 N HN -0.084 nan 8.380 nan 0.000 0.476 316 K N 1.215 121.213 120.400 -0.670 0.000 2.550 316 K HA 0.086 4.406 4.320 0.000 0.000 0.280 316 K C 0.374 176.716 176.600 -0.429 0.000 0.987 316 K CA 0.184 56.023 56.287 -0.747 0.000 1.048 316 K CB 0.637 32.611 32.500 -0.876 0.000 0.879 316 K HN 0.392 nan 8.250 nan 0.000 0.491 317 I N 5.800 126.035 120.570 -0.558 0.000 2.494 317 I HA -0.022 4.148 4.170 0.000 0.000 0.289 317 I C -1.459 174.357 176.117 -0.503 0.000 1.106 317 I CA -1.910 59.036 61.300 -0.591 0.000 1.369 317 I CB 0.018 37.498 38.000 -0.867 0.000 1.410 317 I HN 0.371 nan 8.210 nan 0.000 0.523 318 P HA -0.224 nan 4.420 nan 0.000 0.214 318 P C 0.290 177.509 177.300 -0.134 0.000 1.099 318 P CA 1.768 64.774 63.100 -0.156 0.000 0.976 318 P CB 0.225 31.902 31.700 -0.039 0.000 0.774 319 D N -2.651 117.625 120.400 -0.206 0.000 2.943 319 D HA 0.110 4.750 4.640 0.000 0.000 0.347 319 D C 0.697 176.866 176.300 -0.218 0.000 1.305 319 D CA 0.235 54.148 54.000 -0.145 0.000 0.870 319 D CB -0.243 40.482 40.800 -0.126 0.000 1.081 319 D HN 0.208 nan 8.370 nan 0.000 0.492 320 T N -3.328 111.137 114.554 -0.147 0.000 3.081 320 T HA -0.062 4.288 4.350 0.000 0.000 0.255 320 T C 1.181 175.954 174.700 0.122 0.000 1.113 320 T CA 0.056 62.130 62.100 -0.043 0.000 1.082 320 T CB -0.173 68.668 68.868 -0.046 0.000 0.939 320 T HN 0.341 nan 8.240 nan 0.000 0.506 321 H N 1.129 120.249 119.070 0.082 0.000 2.732 321 H HA 0.411 4.967 4.556 0.000 0.000 0.351 321 H C -0.485 174.970 175.328 0.211 0.000 1.090 321 H CA -0.513 55.612 56.048 0.127 0.000 1.431 321 H CB 0.203 30.020 29.762 0.092 0.000 1.447 321 H HN 0.523 nan 8.280 nan 0.000 0.582 322 Y N 0.460 120.783 120.300 0.039 0.000 2.705 322 Y HA 0.559 5.109 4.550 0.000 0.000 0.332 322 Y C -1.351 174.532 175.900 -0.027 0.000 1.221 322 Y CA -1.583 56.488 58.100 -0.048 0.000 1.059 322 Y CB 1.291 39.676 38.460 -0.125 0.000 1.298 322 Y HN 0.883 nan 8.280 nan 0.000 0.459 323 R N 2.571 123.045 120.500 -0.044 0.000 2.628 323 R HA 0.845 5.185 4.340 0.000 0.000 0.288 323 R C -1.467 174.662 176.300 -0.286 0.000 0.980 323 R CA -0.974 54.921 56.100 -0.341 0.000 0.891 323 R CB 2.484 32.639 30.300 -0.242 0.000 1.188 323 R HN 1.036 nan 8.270 nan 0.000 0.450 324 M N 1.149 120.441 119.600 -0.513 0.000 2.378 324 M HA 0.471 4.951 4.480 0.000 0.000 0.289 324 M C -1.747 174.247 176.300 -0.511 0.000 1.136 324 M CA -0.808 54.278 55.300 -0.357 0.000 0.917 324 M CB 2.789 35.361 32.600 -0.047 0.000 1.669 324 M HN 0.668 nan 8.290 nan 0.000 0.461 325 H N 1.634 120.667 119.070 -0.062 0.000 2.762 325 H HA 0.488 5.044 4.556 0.000 0.000 0.310 325 H C -1.011 174.303 175.328 -0.024 0.000 1.004 325 H CA -0.758 55.273 56.048 -0.028 0.000 1.267 325 H CB 1.538 31.304 29.762 0.007 0.000 1.437 325 H HN 0.766 nan 8.280 nan 0.000 0.498 326 S N 3.361 119.097 115.700 0.060 0.000 2.617 326 S HA 0.516 4.986 4.470 0.000 0.000 0.283 326 S C 0.315 174.944 174.600 0.049 0.000 1.189 326 S CA -0.868 57.348 58.200 0.028 0.000 1.036 326 S CB 1.244 64.438 63.200 -0.010 0.000 1.014 326 S HN 0.489 nan 8.310 nan 0.000 0.522 327 R N 1.497 122.018 120.500 0.036 0.000 2.533 327 R HA 0.489 4.829 4.340 0.000 0.000 0.288 327 R C -1.846 174.486 176.300 0.053 0.000 1.039 327 R CA -0.724 55.415 56.100 0.065 0.000 0.909 327 R CB 1.597 31.963 30.300 0.111 0.000 1.195 327 R HN 0.455 nan 8.270 nan 0.000 0.438 328 L N 1.534 122.791 121.223 0.056 0.000 2.386 328 L HA 0.863 5.203 4.340 0.000 0.000 0.271 328 L C -1.376 175.540 176.870 0.078 0.000 0.993 328 L CA -0.551 54.316 54.840 0.046 0.000 0.819 328 L CB 2.122 44.187 42.059 0.008 0.000 1.294 328 L HN 0.813 nan 8.230 nan 0.000 0.414 329 A N 4.441 127.330 122.820 0.115 0.000 2.437 329 A HA 0.803 5.123 4.320 0.000 0.000 0.293 329 A C -1.252 176.386 177.584 0.090 0.000 1.038 329 A CA -0.667 51.429 52.037 0.099 0.000 0.708 329 A CB 1.172 20.247 19.000 0.126 0.000 1.251 329 A HN 0.628 nan 8.150 nan 0.000 0.409 330 K N 1.228 121.651 120.400 0.038 0.000 2.443 330 K HA 0.663 4.983 4.320 0.000 0.000 0.252 330 K C -1.529 175.053 176.600 -0.030 0.000 0.933 330 K CA -0.652 55.649 56.287 0.024 0.000 0.792 330 K CB 2.753 35.260 32.500 0.010 0.000 1.185 330 K HN 0.389 nan 8.250 nan 0.000 0.425 331 V N 1.734 121.621 119.914 -0.045 0.000 2.483 331 V HA 0.584 4.704 4.120 0.000 0.000 0.297 331 V C -0.118 175.804 176.094 -0.287 0.000 1.027 331 V CA -0.772 61.399 62.300 -0.216 0.000 0.855 331 V CB 1.842 33.511 31.823 -0.257 0.000 0.995 331 V HN 0.929 nan 8.190 nan 0.000 0.424 332 G N 3.789 112.365 108.800 -0.374 0.000 2.495 332 G HA2 0.647 4.607 3.960 0.000 0.000 0.318 332 G HA3 0.647 4.607 3.960 0.000 0.000 0.318 332 G C -1.329 173.386 174.900 -0.309 0.000 1.257 332 G CA -0.484 44.502 45.100 -0.191 0.000 0.962 332 G HN 0.544 nan 8.290 nan 0.000 0.483 333 W N 1.665 122.992 121.300 0.044 0.000 2.475 333 W HA 0.331 4.991 4.660 0.000 0.000 0.317 333 W C -0.583 175.960 176.519 0.040 0.000 1.046 333 W CA -0.911 56.463 57.345 0.049 0.000 1.215 333 W CB 2.015 31.517 29.460 0.069 0.000 1.335 333 W HN 0.302 nan 8.180 nan 0.000 0.471 334 N N 2.848 121.671 118.700 0.205 0.000 2.438 334 N HA 0.493 5.233 4.740 0.000 0.000 0.282 334 N C -0.792 174.807 175.510 0.148 0.000 1.037 334 N CA -0.387 52.743 53.050 0.134 0.000 0.942 334 N CB 1.830 40.357 38.487 0.067 0.000 1.136 334 N HN 0.099 nan 8.380 nan 0.000 0.481 335 L N 2.678 123.974 121.223 0.122 0.000 2.350 335 L HA 0.596 4.936 4.340 0.000 0.000 0.260 335 L C -2.040 174.874 176.870 0.072 0.000 1.015 335 L CA -2.063 52.844 54.840 0.111 0.000 0.821 335 L CB 1.458 43.598 42.059 0.136 0.000 1.370 335 L HN 0.339 nan 8.230 nan 0.000 0.416 336 P HA 0.183 nan 4.420 nan 0.000 0.271 336 P C -0.140 177.180 177.300 0.033 0.000 1.228 336 P CA 0.898 64.023 63.100 0.041 0.000 0.797 336 P CB 0.225 31.949 31.700 0.040 0.000 0.914 337 A N 0.779 123.608 122.820 0.016 0.000 5.920 337 A HA -0.278 4.042 4.320 0.000 0.000 0.295 337 A C 0.658 178.237 177.584 -0.008 0.000 1.933 337 A CA 1.367 53.403 52.037 -0.002 0.000 0.728 337 A CB -1.903 17.094 19.000 -0.005 0.000 1.235 337 A HN 0.625 nan 8.150 nan 0.000 0.386 338 N N 0.917 119.599 118.700 -0.030 0.000 3.228 338 N HA 0.375 5.115 4.740 0.000 0.000 0.289 338 N C -0.615 174.864 175.510 -0.052 0.000 1.419 338 N CA 0.244 53.270 53.050 -0.040 0.000 1.088 338 N CB -0.111 38.340 38.487 -0.059 0.000 1.357 338 N HN 0.499 nan 8.380 nan 0.000 0.504 339 Q N 0.722 120.514 119.800 -0.014 0.000 2.274 339 Q HA 0.443 4.783 4.340 0.000 0.000 0.260 339 Q C -0.599 175.417 176.000 0.027 0.000 0.974 339 Q CA -0.636 55.161 55.803 -0.009 0.000 0.876 339 Q CB 2.459 31.257 28.738 0.099 0.000 1.297 339 Q HN 0.238 nan 8.270 nan 0.000 0.446 340 R N 2.700 123.193 120.500 -0.010 0.000 2.538 340 R HA 0.444 4.784 4.340 0.000 0.000 0.292 340 R C -1.607 174.775 176.300 0.137 0.000 1.008 340 R CA -0.377 55.761 56.100 0.064 0.000 0.896 340 R CB 0.988 31.285 30.300 -0.005 0.000 1.187 340 R HN 0.563 nan 8.270 nan 0.000 0.440 341 L N 3.634 125.010 121.223 0.254 0.000 2.309 341 L HA 0.512 4.852 4.340 0.000 0.000 0.282 341 L C -0.339 176.700 176.870 0.282 0.000 1.036 341 L CA -0.650 54.326 54.840 0.227 0.000 0.806 341 L CB 1.813 44.044 42.059 0.286 0.000 1.220 341 L HN 0.597 nan 8.230 nan 0.000 0.429 342 Q N 3.226 123.082 119.800 0.095 0.000 2.285 342 Q HA 0.546 4.886 4.340 0.000 0.000 0.269 342 Q C -1.703 174.408 176.000 0.185 0.000 1.030 342 Q CA -0.601 55.291 55.803 0.148 0.000 0.788 342 Q CB 2.474 31.234 28.738 0.037 0.000 1.266 342 Q HN 0.586 nan 8.270 nan 0.000 0.438 343 L N 2.423 123.826 121.223 0.299 0.000 2.282 343 L HA 0.587 4.927 4.340 0.000 0.000 0.288 343 L C -0.711 176.280 176.870 0.203 0.000 1.033 343 L CA -0.475 54.549 54.840 0.307 0.000 0.807 343 L CB 1.860 44.152 42.059 0.388 0.000 1.209 343 L HN 0.599 nan 8.230 nan 0.000 0.423 344 S N 2.470 118.293 115.700 0.206 0.000 2.532 344 S HA 0.560 5.031 4.470 0.000 0.000 0.299 344 S C -1.355 173.385 174.600 0.234 0.000 1.105 344 S CA -0.655 57.644 58.200 0.164 0.000 1.018 344 S CB 1.758 65.017 63.200 0.099 0.000 1.021 344 S HN 0.453 nan 8.310 nan 0.000 0.483 345 Y N 2.940 123.282 120.300 0.071 0.000 2.354 345 Y HA 0.689 5.239 4.550 0.000 0.000 0.330 345 Y C -1.809 174.115 175.900 0.040 0.000 1.011 345 Y CA -1.126 57.015 58.100 0.068 0.000 1.099 345 Y CB 1.040 39.545 38.460 0.074 0.000 1.179 345 Y HN 0.636 nan 8.280 nan 0.000 0.442 346 L N 6.868 127.746 121.223 -0.575 0.000 2.376 346 L HA 0.541 4.881 4.340 0.000 0.000 0.275 346 L C -1.409 175.065 176.870 -0.660 0.000 0.987 346 L CA -0.390 54.178 54.840 -0.453 0.000 0.828 346 L CB 1.865 43.788 42.059 -0.227 0.000 1.249 346 L HN 0.763 nan 8.230 nan 0.000 0.409 347 Q N 3.204 122.737 119.800 -0.445 0.000 2.330 347 Q HA 0.637 4.977 4.340 0.000 0.000 0.269 347 Q C -1.549 174.382 176.000 -0.116 0.000 1.022 347 Q CA -0.521 55.121 55.803 -0.268 0.000 0.796 347 Q CB 1.988 30.684 28.738 -0.069 0.000 1.271 347 Q HN 0.697 nan 8.270 nan 0.000 0.450 348 T N 2.555 117.041 114.554 -0.114 0.000 2.906 348 T HA 0.256 4.606 4.350 0.000 0.000 0.302 348 T C -1.434 173.209 174.700 -0.096 0.000 1.002 348 T CA -0.481 61.573 62.100 -0.076 0.000 0.988 348 T CB 1.474 70.293 68.868 -0.081 0.000 0.972 348 T HN 0.735 nan 8.240 nan 0.000 0.447 349 Q N 3.929 123.709 119.800 -0.033 0.000 2.325 349 Q HA 0.572 4.912 4.340 0.000 0.000 0.262 349 Q C -1.063 174.923 176.000 -0.023 0.000 0.968 349 Q CA -0.498 55.280 55.803 -0.043 0.000 0.877 349 Q CB 1.150 29.908 28.738 0.033 0.000 1.253 349 Q HN 0.700 nan 8.270 nan 0.000 0.448 350 T N 2.031 116.477 114.554 -0.180 0.000 2.856 350 T HA 0.833 5.183 4.350 0.000 0.000 0.283 350 T C -1.239 173.382 174.700 -0.133 0.000 1.008 350 T CA -0.608 61.398 62.100 -0.157 0.000 0.997 350 T CB 1.669 70.359 68.868 -0.297 0.000 0.992 350 T HN 0.670 nan 8.240 nan 0.000 0.454 351 A N 1.651 124.456 122.820 -0.024 0.000 2.486 351 A HA 0.907 5.227 4.320 0.000 0.000 0.300 351 A C -0.516 177.011 177.584 -0.095 0.000 1.048 351 A CA -0.783 51.243 52.037 -0.018 0.000 0.696 351 A CB 1.883 20.989 19.000 0.176 0.000 1.278 351 A HN 0.838 nan 8.150 nan 0.000 0.405 352 S N 1.617 117.050 115.700 -0.445 0.000 2.565 352 S HA 0.772 5.242 4.470 0.000 0.000 0.274 352 S C -3.345 170.567 174.600 -1.147 0.000 1.144 352 S CA -0.871 56.973 58.200 -0.593 0.000 0.849 352 S CB 1.767 64.781 63.200 -0.310 0.000 1.103 352 S HN 0.382 nan 8.310 nan 0.000 0.455 353 P HA 0.465 nan 4.420 nan 0.000 0.274 353 P C -0.954 176.149 177.300 -0.329 0.000 1.237 353 P CA -0.339 62.457 63.100 -0.508 0.000 0.793 353 P CB 0.265 31.892 31.700 -0.123 0.000 0.977 354 I N 0.664 121.118 120.570 -0.193 0.000 2.377 354 I HA 0.565 4.735 4.170 0.000 0.000 0.293 354 I C 0.461 176.548 176.117 -0.051 0.000 0.987 354 I CA -0.895 60.327 61.300 -0.129 0.000 1.185 354 I CB 1.563 39.492 38.000 -0.118 0.000 1.341 354 I HN 0.269 nan 8.210 nan 0.000 0.455 355 A N 4.234 127.027 122.820 -0.044 0.000 2.282 355 A HA 0.820 5.140 4.320 0.000 0.000 0.319 355 A C 0.392 178.026 177.584 0.083 0.000 1.121 355 A CA -0.294 51.754 52.037 0.018 0.000 0.836 355 A CB 0.835 19.799 19.000 -0.060 0.000 1.146 355 A HN 0.824 nan 8.150 nan 0.000 0.494 356 G N -0.395 108.488 108.800 0.138 0.000 2.535 356 G HA2 0.470 4.430 3.960 0.000 0.000 0.282 356 G HA3 0.470 4.430 3.960 0.000 0.000 0.282 356 G C 0.506 175.502 174.900 0.160 0.000 1.350 356 G CA 0.364 45.540 45.100 0.127 0.000 1.039 356 G HN 1.174 nan 8.290 nan 0.000 0.509 357 T N -2.023 112.548 114.554 0.029 0.000 2.726 357 T HA 0.341 4.691 4.350 0.000 0.000 0.294 357 T C 0.334 174.970 174.700 -0.107 0.000 1.013 357 T CA -0.639 61.440 62.100 -0.034 0.000 0.996 357 T CB 0.895 69.658 68.868 -0.174 0.000 1.016 357 T HN 0.392 nan 8.240 nan 0.000 0.529 358 L N 1.297 122.371 121.223 -0.248 0.000 2.410 358 L HA 0.535 4.875 4.340 0.000 0.000 0.273 358 L C 0.408 176.986 176.870 -0.488 0.000 1.144 358 L CA 1.117 55.551 54.840 -0.676 0.000 0.863 358 L CB 0.137 41.843 42.059 -0.589 0.000 1.140 358 L HN 1.128 nan 8.230 nan 0.000 0.463 359 T N 3.490 117.722 114.554 -0.537 0.000 2.661 359 T HA 0.380 4.730 4.350 0.000 0.000 0.305 359 T C -1.475 172.976 174.700 -0.416 0.000 1.441 359 T CA -0.832 61.032 62.100 -0.394 0.000 0.999 359 T CB 0.820 69.526 68.868 -0.269 0.000 1.650 359 T HN 0.780 nan 8.240 nan 0.000 0.489 360 N N 2.334 120.807 118.700 -0.378 0.000 2.479 360 N HA 0.324 5.064 4.740 0.000 0.000 0.285 360 N C 0.613 175.999 175.510 -0.208 0.000 1.075 360 N CA -0.610 52.211 53.050 -0.381 0.000 0.967 360 N CB 1.474 39.566 38.487 -0.657 0.000 1.137 360 N HN 0.569 nan 8.380 nan 0.000 0.472 361 L N 0.249 121.416 121.223 -0.092 0.000 2.556 361 L HA 0.243 4.583 4.340 0.000 0.000 0.226 361 L C 1.530 178.444 176.870 0.074 0.000 1.089 361 L CA -0.054 54.777 54.840 -0.014 0.000 0.864 361 L CB -0.098 41.952 42.059 -0.016 0.000 1.067 361 L HN 0.627 nan 8.230 nan 0.000 0.477 362 G N -0.331 108.593 108.800 0.208 0.000 2.509 362 G HA2 0.348 4.308 3.960 0.000 0.000 0.269 362 G HA3 0.348 4.308 3.960 0.000 0.000 0.269 362 G C 0.545 175.615 174.900 0.283 0.000 1.416 362 G CA 0.397 45.641 45.100 0.241 0.000 1.052 362 G HN 0.002 nan 8.290 nan 0.000 0.542 363 T N -1.006 113.672 114.554 0.208 0.000 3.115 363 T HA 0.269 4.619 4.350 0.000 0.000 0.256 363 T C 0.820 175.594 174.700 0.122 0.000 0.970 363 T CA -0.008 62.219 62.100 0.210 0.000 1.010 363 T CB 0.421 69.342 68.868 0.089 0.000 1.151 363 T HN 0.265 nan 8.240 nan 0.000 0.479 364 R N 1.663 122.095 120.500 -0.115 0.000 2.599 364 R HA 0.505 4.845 4.340 0.000 0.000 0.295 364 R C -2.951 173.038 176.300 -0.518 0.000 0.963 364 R CA -2.034 53.894 56.100 -0.287 0.000 0.883 364 R CB 1.408 31.630 30.300 -0.130 0.000 1.171 364 R HN 0.093 nan 8.270 nan 0.000 0.450 365 P HA 0.003 nan 4.420 nan 0.000 0.267 365 P C -2.347 174.800 177.300 -0.256 0.000 1.195 365 P CA -0.642 62.127 63.100 -0.552 0.000 0.773 365 P CB -0.068 31.426 31.700 -0.343 0.000 0.837 366 P HA 0.167 nan 4.420 nan 0.000 0.276 366 P C -0.572 176.682 177.300 -0.077 0.000 1.253 366 P CA 0.006 63.039 63.100 -0.112 0.000 0.766 366 P CB 0.111 31.790 31.700 -0.035 0.000 0.845 367 Y N 1.070 121.425 120.300 0.091 0.000 2.223 367 Y HA 0.319 4.869 4.550 0.000 0.000 0.352 367 Y C 1.248 177.215 175.900 0.111 0.000 1.293 367 Y CA 0.455 58.605 58.100 0.083 0.000 1.601 367 Y CB 0.391 38.898 38.460 0.079 0.000 1.407 367 Y HN 0.323 nan 8.280 nan 0.000 0.639 368 E N 0.210 120.547 120.200 0.229 0.000 2.292 368 E HA 0.404 4.754 4.350 0.000 0.000 0.272 368 E C -2.095 174.439 176.600 -0.110 0.000 0.881 368 E CA -0.812 55.649 56.400 0.102 0.000 0.754 368 E CB 1.440 31.182 29.700 0.070 0.000 1.201 368 E HN 0.391 nan 8.360 nan 0.000 0.425 369 L N 3.460 124.532 121.223 -0.251 0.000 2.257 369 L HA 0.806 5.146 4.340 0.000 0.000 0.290 369 L C 0.344 176.968 176.870 -0.409 0.000 1.044 369 L CA 0.579 55.125 54.840 -0.490 0.000 0.810 369 L CB 0.808 42.409 42.059 -0.764 0.000 1.193 369 L HN 0.645 nan 8.230 nan 0.000 0.425 370 G N 3.205 111.717 108.800 -0.480 0.000 2.827 370 G HA2 0.359 4.319 3.960 0.000 0.000 0.202 370 G HA3 0.359 4.319 3.960 0.000 0.000 0.202 370 G C -1.847 172.687 174.900 -0.610 0.000 1.185 370 G CA -0.452 44.372 45.100 -0.461 0.000 0.920 370 G HN 0.344 nan 8.290 nan 0.000 0.550 371 W N 1.000 122.247 121.300 -0.088 0.000 3.022 371 W HA 0.534 5.194 4.660 0.000 0.000 0.335 371 W C -0.536 175.955 176.519 -0.046 0.000 1.133 371 W CA -0.648 56.651 57.345 -0.078 0.000 1.219 371 W CB 2.311 31.721 29.460 -0.083 0.000 1.409 371 W HN 0.332 nan 8.180 nan 0.000 0.507 372 K N 1.297 121.803 120.400 0.178 0.000 2.139 372 K HA 0.528 4.848 4.320 0.000 0.000 0.243 372 K C -0.110 176.578 176.600 0.148 0.000 0.983 372 K CA -1.079 55.285 56.287 0.129 0.000 0.890 372 K CB 2.130 34.678 32.500 0.080 0.000 1.090 372 K HN 0.278 nan 8.250 nan 0.000 0.445 373 R N 1.229 121.818 120.500 0.149 0.000 2.239 373 R HA 0.066 4.407 4.340 0.000 0.000 0.332 373 R C 0.611 177.037 176.300 0.211 0.000 0.988 373 R CA -0.115 56.089 56.100 0.173 0.000 0.859 373 R CB 0.638 31.074 30.300 0.227 0.000 1.148 373 R HN 0.863 nan 8.270 nan 0.000 0.482 374 T N 0.376 115.001 114.554 0.118 0.000 3.023 374 T HA 0.251 4.601 4.350 0.000 0.000 0.266 374 T C 0.836 175.472 174.700 -0.108 0.000 1.093 374 T CA 0.675 62.820 62.100 0.074 0.000 1.129 374 T CB 0.260 69.160 68.868 0.054 0.000 0.899 374 T HN 0.666 nan 8.240 nan 0.000 0.491 375 G N -0.696 107.933 108.800 -0.286 0.000 2.356 375 G HA2 0.430 4.390 3.960 0.000 0.000 0.281 375 G HA3 0.430 4.390 3.960 0.000 0.000 0.281 375 G C -2.341 172.300 174.900 -0.432 0.000 1.246 375 G CA -0.913 43.651 45.100 -0.893 0.000 0.889 375 G HN 0.249 nan 8.290 nan 0.000 0.486 376 Y N -0.292 119.710 120.300 -0.496 0.000 2.504 376 Y HA 0.677 5.227 4.550 0.000 0.000 0.344 376 Y C -0.513 175.296 175.900 -0.152 0.000 1.023 376 Y CA -0.406 57.572 58.100 -0.204 0.000 1.020 376 Y CB 2.703 41.118 38.460 -0.074 0.000 1.282 376 Y HN 0.619 nan 8.280 nan 0.000 0.454 377 T N 4.619 119.011 114.554 -0.269 0.000 2.824 377 T HA 0.251 4.601 4.350 0.000 0.000 0.282 377 T C -1.868 172.764 174.700 -0.114 0.000 0.993 377 T CA -0.615 61.397 62.100 -0.147 0.000 0.967 377 T CB 0.943 69.713 68.868 -0.163 0.000 0.960 377 T HN 0.491 nan 8.240 nan 0.000 0.441 378 D N 2.714 123.088 120.400 -0.043 0.000 2.593 378 D HA 0.495 5.135 4.640 0.000 0.000 0.251 378 D C -1.162 175.043 176.300 -0.158 0.000 1.140 378 D CA -0.343 53.624 54.000 -0.055 0.000 0.855 378 D CB 1.767 42.592 40.800 0.041 0.000 1.267 378 D HN 0.223 nan 8.370 nan 0.000 0.532 379 V N 4.581 124.320 119.914 -0.291 0.000 2.487 379 V HA 0.430 4.550 4.120 0.000 0.000 0.298 379 V C 0.123 175.998 176.094 -0.364 0.000 1.028 379 V CA -0.740 61.299 62.300 -0.435 0.000 0.860 379 V CB 1.849 33.145 31.823 -0.879 0.000 0.991 379 V HN 0.570 nan 8.190 nan 0.000 0.427 380 M N 3.935 123.373 119.600 -0.271 0.000 2.149 380 M HA 0.665 5.145 4.480 0.000 0.000 0.342 380 M C -0.219 175.946 176.300 -0.225 0.000 1.068 380 M CA -0.342 54.841 55.300 -0.196 0.000 0.991 380 M CB 1.549 34.089 32.600 -0.099 0.000 1.596 380 M HN 0.779 nan 8.290 nan 0.000 0.439 381 A N 5.907 128.600 122.820 -0.211 0.000 2.291 381 A HA 0.727 5.047 4.320 0.000 0.000 0.311 381 A C -0.502 176.977 177.584 -0.175 0.000 1.224 381 A CA -0.709 51.208 52.037 -0.201 0.000 0.821 381 A CB 0.932 19.817 19.000 -0.191 0.000 1.172 381 A HN 0.861 nan 8.150 nan 0.000 0.494 382 R N 2.413 122.814 120.500 -0.166 0.000 2.514 382 R HA 0.498 4.838 4.340 0.000 0.000 0.301 382 R C -1.129 175.044 176.300 -0.211 0.000 0.962 382 R CA -0.682 55.312 56.100 -0.178 0.000 0.882 382 R CB 1.792 32.092 30.300 0.001 0.000 1.143 382 R HN 0.781 nan 8.270 nan 0.000 0.452 383 N N 0.930 119.458 118.700 -0.288 0.000 2.295 383 N HA 0.507 5.247 4.740 0.000 0.000 0.293 383 N C -1.560 173.919 175.510 -0.052 0.000 1.040 383 N CA -0.501 52.453 53.050 -0.160 0.000 0.840 383 N CB 2.478 40.863 38.487 -0.170 0.000 1.468 383 N HN 0.590 nan 8.380 nan 0.000 0.478 384 A N 0.999 123.921 122.820 0.169 0.000 2.398 384 A HA 0.863 5.183 4.320 0.000 0.000 0.301 384 A C -1.293 176.482 177.584 0.318 0.000 1.041 384 A CA -0.581 51.646 52.037 0.316 0.000 0.711 384 A CB 1.458 20.727 19.000 0.448 0.000 1.240 384 A HN 0.676 nan 8.150 nan 0.000 0.420 385 A N 1.295 124.290 122.820 0.291 0.000 2.486 385 A HA 0.768 5.088 4.320 0.000 0.000 0.300 385 A C -1.485 176.301 177.584 0.337 0.000 1.048 385 A CA -0.418 51.801 52.037 0.304 0.000 0.696 385 A CB 1.049 20.164 19.000 0.191 0.000 1.278 385 A HN 1.749 nan 8.150 nan 0.000 0.405 386 F N 2.512 122.582 119.950 0.200 0.000 2.403 386 F HA 0.506 5.033 4.527 0.000 0.000 0.355 386 F C -0.933 174.975 175.800 0.180 0.000 1.119 386 F CA -0.535 57.573 58.000 0.181 0.000 1.007 386 F CB 1.097 40.190 39.000 0.155 0.000 1.194 386 F HN 0.530 nan 8.300 nan 0.000 0.443 387 D N 4.973 125.157 120.400 -0.359 0.000 2.163 387 D HA 0.205 4.845 4.640 0.000 0.000 0.248 387 D C -1.701 174.340 176.300 -0.432 0.000 1.035 387 D CA 0.024 53.841 54.000 -0.305 0.000 0.872 387 D CB 2.226 42.949 40.800 -0.129 0.000 1.183 387 D HN 0.598 nan 8.370 nan 0.000 0.445 388 Y N 0.949 121.020 120.300 -0.381 0.000 2.433 388 Y HA 0.321 4.871 4.550 0.000 0.000 0.337 388 Y C -1.154 174.670 175.900 -0.126 0.000 1.026 388 Y CA -0.775 57.182 58.100 -0.237 0.000 1.037 388 Y CB 1.408 39.787 38.460 -0.135 0.000 1.245 388 Y HN 0.288 nan 8.280 nan 0.000 0.443 389 S N 5.880 121.180 115.700 -0.666 0.000 2.542 389 S HA 0.786 5.256 4.470 0.000 0.000 0.293 389 S C -1.861 172.325 174.600 -0.689 0.000 1.089 389 S CA -0.845 57.008 58.200 -0.579 0.000 0.961 389 S CB 2.236 65.253 63.200 -0.305 0.000 1.062 389 S HN 0.856 nan 8.310 nan 0.000 0.483 390 L N 1.730 122.723 121.223 -0.384 0.000 2.485 390 L HA 0.785 5.126 4.340 0.000 0.000 0.260 390 L C -0.615 176.193 176.870 -0.104 0.000 0.998 390 L CA -0.209 54.507 54.840 -0.207 0.000 0.883 390 L CB 1.174 43.196 42.059 -0.061 0.000 1.196 390 L HN 1.031 nan 8.230 nan 0.000 0.443 391 A N 5.527 128.276 122.820 -0.117 0.000 3.204 391 A HA 0.721 5.041 4.320 0.000 0.000 0.327 391 A C -2.633 174.885 177.584 -0.111 0.000 0.998 391 A CA -1.217 50.752 52.037 -0.113 0.000 0.891 391 A CB -0.361 18.575 19.000 -0.107 0.000 1.061 391 A HN 0.512 nan 8.150 nan 0.000 0.478 392 P HA 0.134 nan 4.420 nan 0.000 0.262 392 P C 0.000 177.231 177.300 -0.115 0.000 1.199 392 P CA 0.329 63.361 63.100 -0.113 0.000 0.763 392 P CB 0.300 31.916 31.700 -0.141 0.000 0.790 393 E N 2.794 122.947 120.200 -0.078 0.000 2.465 393 E HA -0.028 4.322 4.350 0.000 0.000 0.260 393 E C -0.103 176.457 176.600 -0.066 0.000 0.980 393 E CA -0.134 56.227 56.400 -0.065 0.000 0.927 393 E CB -0.193 29.482 29.700 -0.043 0.000 0.934 393 E HN 0.341 nan 8.360 nan 0.000 0.459 394 D N 0.804 121.166 120.400 -0.062 0.000 2.704 394 D HA -0.141 4.499 4.640 0.000 0.000 0.186 394 D C -0.708 175.546 176.300 -0.077 0.000 0.957 394 D CA 1.115 55.088 54.000 -0.046 0.000 1.011 394 D CB -1.069 39.717 40.800 -0.024 0.000 1.064 394 D HN 0.339 nan 8.370 nan 0.000 0.453 395 V N 2.267 122.081 119.914 -0.167 0.000 2.334 395 V HA 0.204 4.324 4.120 0.000 0.000 0.267 395 V C 1.054 176.934 176.094 -0.356 0.000 1.040 395 V CA -0.273 61.822 62.300 -0.342 0.000 0.866 395 V CB 1.636 33.110 31.823 -0.582 0.000 1.019 395 V HN -0.062 nan 8.190 nan 0.000 0.468 396 D N 3.910 124.188 120.400 -0.203 0.000 2.213 396 D HA -0.076 4.564 4.640 0.000 0.000 0.205 396 D C 1.845 178.160 176.300 0.025 0.000 0.961 396 D CA 0.854 54.837 54.000 -0.029 0.000 0.853 396 D CB 0.147 41.019 40.800 0.120 0.000 0.967 396 D HN 0.861 nan 8.370 nan 0.000 0.496 397 W N 0.801 122.144 121.300 0.072 0.000 3.077 397 W HA 0.229 4.889 4.660 0.000 0.000 0.245 397 W C -0.190 176.372 176.519 0.070 0.000 1.316 397 W CA -0.317 57.068 57.345 0.067 0.000 1.537 397 W CB -0.258 29.213 29.460 0.019 0.000 1.131 397 W HN -0.151 nan 8.180 nan 0.000 0.695 398 L N 3.029 124.026 121.223 -0.376 0.000 2.454 398 L HA 0.393 4.733 4.340 0.000 0.000 0.258 398 L C -1.722 175.047 176.870 -0.168 0.000 1.025 398 L CA -0.576 54.066 54.840 -0.330 0.000 0.901 398 L CB 0.923 42.503 42.059 -0.798 0.000 1.210 398 L HN -0.123 nan 8.230 nan 0.000 0.457 399 D N 4.087 124.464 120.400 -0.038 0.000 2.400 399 D HA 0.205 4.845 4.640 0.000 0.000 0.272 399 D C -1.480 174.832 176.300 0.019 0.000 1.220 399 D CA -0.104 53.876 54.000 -0.035 0.000 0.897 399 D CB 0.307 41.077 40.800 -0.049 0.000 1.134 399 D HN 0.233 nan 8.370 nan 0.000 0.507 400 F N 2.761 122.641 119.950 -0.117 0.000 2.422 400 F HA 0.512 5.039 4.527 0.000 0.000 0.333 400 F C -0.555 175.173 175.800 -0.121 0.000 1.095 400 F CA -0.304 57.645 58.000 -0.086 0.000 1.038 400 F CB 1.099 40.082 39.000 -0.028 0.000 1.156 400 F HN 0.244 nan 8.300 nan 0.000 0.483 401 Q N 4.661 123.908 119.800 -0.922 0.000 2.456 401 Q HA 0.892 5.232 4.340 0.000 0.000 0.284 401 Q C -2.075 173.434 176.000 -0.818 0.000 1.061 401 Q CA -1.485 53.882 55.803 -0.727 0.000 0.799 401 Q CB 2.245 30.767 28.738 -0.360 0.000 1.445 401 Q HN 0.886 nan 8.270 nan 0.000 0.411 402 A N 1.035 123.617 122.820 -0.397 0.000 2.606 402 A HA 0.838 5.158 4.320 0.000 0.000 0.293 402 A C -1.747 175.854 177.584 0.029 0.000 1.082 402 A CA -0.722 51.235 52.037 -0.134 0.000 0.685 402 A CB 2.361 21.402 19.000 0.068 0.000 1.284 402 A HN 0.656 nan 8.150 nan 0.000 0.408 403 K N 0.524 121.011 120.400 0.145 0.000 2.525 403 K HA 0.678 4.998 4.320 0.000 0.000 0.254 403 K C -2.281 174.534 176.600 0.359 0.000 0.934 403 K CA -0.530 55.894 56.287 0.227 0.000 0.802 403 K CB 1.554 34.168 32.500 0.191 0.000 1.295 403 K HN 0.478 nan 8.250 nan 0.000 0.433 404 L N 5.079 126.559 121.223 0.428 0.000 2.376 404 L HA 0.548 4.888 4.340 0.000 0.000 0.275 404 L C -1.348 175.786 176.870 0.440 0.000 0.987 404 L CA -0.437 54.635 54.840 0.387 0.000 0.828 404 L CB 1.178 43.440 42.059 0.338 0.000 1.249 404 L HN 0.655 nan 8.230 nan 0.000 0.409 405 Y N 2.257 122.705 120.300 0.248 0.000 2.588 405 Y HA 0.736 5.286 4.550 0.000 0.000 0.343 405 Y C -1.711 174.343 175.900 0.257 0.000 1.065 405 Y CA -1.599 56.636 58.100 0.224 0.000 1.038 405 Y CB 1.657 40.205 38.460 0.145 0.000 1.297 405 Y HN 0.513 nan 8.280 nan 0.000 0.467 406 Y N 2.024 122.428 120.300 0.173 0.000 2.354 406 Y HA 0.717 5.267 4.550 0.000 0.000 0.330 406 Y C -2.098 173.828 175.900 0.043 0.000 1.011 406 Y CA -1.049 57.045 58.100 -0.010 0.000 1.099 406 Y CB 1.872 40.327 38.460 -0.009 0.000 1.179 406 Y HN 0.694 nan 8.280 nan 0.000 0.442 407 V N 5.316 124.877 119.914 -0.588 0.000 2.487 407 V HA 0.349 4.469 4.120 0.000 0.000 0.298 407 V C -1.226 174.459 176.094 -0.682 0.000 1.028 407 V CA -0.640 61.381 62.300 -0.466 0.000 0.860 407 V CB 1.651 33.395 31.823 -0.133 0.000 0.991 407 V HN 0.769 nan 8.190 nan 0.000 0.427 408 D N 2.916 122.996 120.400 -0.534 0.000 2.378 408 D HA 0.284 4.924 4.640 0.000 0.000 0.265 408 D C -0.306 175.884 176.300 -0.183 0.000 1.229 408 D CA -0.097 53.679 54.000 -0.374 0.000 0.914 408 D CB 1.432 42.037 40.800 -0.325 0.000 1.140 408 D HN 0.620 nan 8.370 nan 0.000 0.516 409 T N 1.833 116.306 114.554 -0.136 0.000 2.771 409 T HA 0.503 4.853 4.350 0.000 0.000 0.281 409 T C -0.763 173.833 174.700 -0.174 0.000 0.982 409 T CA -0.573 61.407 62.100 -0.200 0.000 0.978 409 T CB 1.186 69.887 68.868 -0.278 0.000 0.930 409 T HN 0.367 nan 8.240 nan 0.000 0.447 410 Q N 3.854 123.521 119.800 -0.223 0.000 2.304 410 Q HA 0.372 4.712 4.340 0.000 0.000 0.270 410 Q C -1.826 174.076 176.000 -0.163 0.000 1.035 410 Q CA -0.801 54.942 55.803 -0.100 0.000 0.781 410 Q CB 1.719 30.444 28.738 -0.022 0.000 1.261 410 Q HN 0.668 nan 8.270 nan 0.000 0.444 411 D N 3.085 123.459 120.400 -0.044 0.000 2.303 411 D HA 0.252 4.892 4.640 0.000 0.000 0.236 411 D C -1.240 175.074 176.300 0.024 0.000 1.068 411 D CA -0.131 53.850 54.000 -0.031 0.000 0.830 411 D CB 1.261 42.146 40.800 0.142 0.000 1.109 411 D HN 0.518 nan 8.370 nan 0.000 0.496 412 D N 2.613 123.006 120.400 -0.012 0.000 2.441 412 D HA 0.222 4.862 4.640 0.000 0.000 0.231 412 D C -0.731 175.571 176.300 0.004 0.000 1.073 412 D CA -0.287 53.719 54.000 0.009 0.000 0.850 412 D CB 1.349 42.154 40.800 0.009 0.000 1.062 412 D HN 0.097 nan 8.370 nan 0.000 0.524 413 S N 1.629 117.327 115.700 -0.004 0.000 2.519 413 S HA 0.300 4.770 4.470 0.000 0.000 0.309 413 S C -0.700 173.843 174.600 -0.096 0.000 1.100 413 S CA -0.882 57.293 58.200 -0.042 0.000 1.059 413 S CB 1.623 64.794 63.200 -0.048 0.000 1.008 413 S HN 0.262 nan 8.310 nan 0.000 0.478 414 D N 1.987 122.316 120.400 -0.119 0.000 2.225 414 D HA 0.389 5.029 4.640 0.000 0.000 0.248 414 D C -0.501 175.554 176.300 -0.408 0.000 1.096 414 D CA 0.051 53.928 54.000 -0.204 0.000 0.863 414 D CB 0.975 41.721 40.800 -0.089 0.000 1.156 414 D HN 0.228 nan 8.370 nan 0.000 0.450 415 T N 2.330 116.567 114.554 -0.529 0.000 2.821 415 T HA 0.217 4.567 4.350 0.000 0.000 0.307 415 T C -0.238 174.279 174.700 -0.306 0.000 1.034 415 T CA -0.508 61.251 62.100 -0.568 0.000 0.953 415 T CB -0.187 68.127 68.868 -0.923 0.000 0.968 415 T HN 0.195 nan 8.240 nan 0.000 0.462 416 Y N 2.007 122.262 120.300 -0.075 0.000 2.578 416 Y HA 0.159 4.709 4.550 0.000 0.000 0.339 416 Y C 1.610 177.530 175.900 0.033 0.000 1.231 416 Y CA -0.943 57.152 58.100 -0.009 0.000 1.461 416 Y CB 0.434 38.905 38.460 0.019 0.000 1.323 416 Y HN 0.591 nan 8.280 nan 0.000 0.590 417 S N -0.005 115.832 115.700 0.228 0.000 2.549 417 S HA -0.031 4.439 4.470 0.000 0.000 0.283 417 S C 1.187 175.871 174.600 0.140 0.000 1.320 417 S CA -0.224 58.080 58.200 0.174 0.000 1.058 417 S CB 1.264 64.546 63.200 0.137 0.000 0.882 417 S HN 0.887 nan 8.310 nan 0.000 0.498 418 T N 0.001 114.630 114.554 0.125 0.000 2.867 418 T HA 0.018 4.368 4.350 0.000 0.000 0.268 418 T C 0.866 175.605 174.700 0.065 0.000 1.057 418 T CA 0.792 62.947 62.100 0.091 0.000 1.136 418 T CB -0.719 68.191 68.868 0.071 0.000 0.874 418 T HN 1.035 nan 8.240 nan 0.000 0.466 419 S N 0.691 116.428 115.700 0.062 0.000 2.482 419 S HA 0.525 4.995 4.470 0.000 0.000 0.303 419 S C 0.996 175.621 174.600 0.042 0.000 1.091 419 S CA -0.168 58.059 58.200 0.045 0.000 1.057 419 S CB 2.017 65.240 63.200 0.039 0.000 1.031 419 S HN 0.381 nan 8.310 nan 0.000 0.485 420 S N 2.769 118.487 115.700 0.031 0.000 2.555 420 S HA 0.061 4.531 4.470 0.000 0.000 0.230 420 S C 1.135 175.748 174.600 0.022 0.000 0.978 420 S CA 0.222 58.436 58.200 0.023 0.000 0.934 420 S CB -0.757 62.452 63.200 0.015 0.000 0.766 420 S HN 0.721 nan 8.310 nan 0.000 0.533 421 L N 0.207 121.445 121.223 0.025 0.000 2.607 421 L HA 0.380 4.720 4.340 0.000 0.000 0.228 421 L C 0.583 177.470 176.870 0.028 0.000 1.123 421 L CA -0.016 54.839 54.840 0.024 0.000 0.890 421 L CB 0.069 42.141 42.059 0.022 0.000 1.103 421 L HN 0.289 nan 8.230 nan 0.000 0.468 422 L N -0.546 120.698 121.223 0.036 0.000 2.267 422 L HA 0.346 4.686 4.340 0.000 0.000 0.264 422 L C -0.298 176.602 176.870 0.050 0.000 1.021 422 L CA 0.111 54.977 54.840 0.043 0.000 0.861 422 L CB 1.591 43.679 42.059 0.050 0.000 1.443 422 L HN -0.115 nan 8.230 nan 0.000 0.475 423 D N -0.814 119.621 120.400 0.058 0.000 2.673 423 D HA 0.018 4.658 4.640 0.000 0.000 0.278 423 D C 0.528 176.885 176.300 0.094 0.000 1.393 423 D CA -0.085 53.956 54.000 0.068 0.000 0.805 423 D CB 0.109 40.942 40.800 0.055 0.000 1.110 423 D HN 0.488 nan 8.370 nan 0.000 0.476 424 N N -0.176 118.588 118.700 0.106 0.000 2.416 424 N HA 0.084 4.824 4.740 0.000 0.000 0.215 424 N C 0.642 176.293 175.510 0.236 0.000 1.208 424 N CA -0.271 52.860 53.050 0.135 0.000 0.834 424 N CB -0.192 38.360 38.487 0.109 0.000 1.072 424 N HN 0.089 nan 8.380 nan 0.000 0.472 425 G N 0.040 108.973 108.800 0.223 0.000 2.507 425 G HA2 0.450 4.410 3.960 0.000 0.000 0.271 425 G HA3 0.450 4.410 3.960 0.000 0.000 0.271 425 G C -1.041 174.061 174.900 0.336 0.000 1.189 425 G CA -0.560 44.695 45.100 0.258 0.000 0.859 425 G HN 0.480 nan 8.290 nan 0.000 0.542 426 Y N -2.163 118.181 120.300 0.073 0.000 2.624 426 Y HA 0.712 5.262 4.550 0.000 0.000 0.334 426 Y C -0.321 175.607 175.900 0.046 0.000 1.155 426 Y CA -1.636 56.497 58.100 0.055 0.000 1.046 426 Y CB 0.989 39.476 38.460 0.045 0.000 1.316 426 Y HN 0.790 nan 8.280 nan 0.000 0.457 427 A N 1.485 124.359 122.820 0.091 0.000 2.305 427 A HA 0.723 5.043 4.320 0.000 0.000 0.322 427 A C -0.553 177.092 177.584 0.102 0.000 1.187 427 A CA -0.283 51.763 52.037 0.014 0.000 0.825 427 A CB 1.181 20.206 19.000 0.040 0.000 1.164 427 A HN 1.002 nan 8.150 nan 0.000 0.498 428 T N 1.733 116.318 114.554 0.052 0.000 2.949 428 T HA 0.478 4.828 4.350 0.000 0.000 0.300 428 T C -0.581 174.161 174.700 0.071 0.000 0.988 428 T CA -0.655 61.509 62.100 0.106 0.000 0.993 428 T CB 0.473 69.448 68.868 0.178 0.000 0.984 428 T HN 0.822 nan 8.240 nan 0.000 0.442 429 R N 3.249 123.795 120.500 0.077 0.000 2.368 429 R HA 0.632 4.972 4.340 0.000 0.000 0.302 429 R C -0.901 175.455 176.300 0.093 0.000 1.002 429 R CA -0.345 55.800 56.100 0.075 0.000 0.929 429 R CB 1.263 31.603 30.300 0.066 0.000 1.073 429 R HN 0.681 nan 8.270 nan 0.000 0.464 430 T N 3.790 118.418 114.554 0.123 0.000 2.928 430 T HA 0.406 4.756 4.350 0.000 0.000 0.296 430 T C -1.377 173.479 174.700 0.259 0.000 1.000 430 T CA -0.803 61.388 62.100 0.151 0.000 0.989 430 T CB 0.870 69.813 68.868 0.125 0.000 1.005 430 T HN 0.767 nan 8.240 nan 0.000 0.442 431 R N 4.097 124.727 120.500 0.216 0.000 2.604 431 R HA 0.724 5.064 4.340 0.000 0.000 0.281 431 R C -2.137 174.294 176.300 0.217 0.000 1.020 431 R CA -0.886 55.361 56.100 0.245 0.000 0.899 431 R CB 1.652 32.039 30.300 0.145 0.000 1.205 431 R HN 0.544 nan 8.270 nan 0.000 0.450 432 L N 3.768 125.160 121.223 0.282 0.000 2.376 432 L HA 0.569 4.909 4.340 0.000 0.000 0.275 432 L C -1.053 175.876 176.870 0.098 0.000 0.987 432 L CA -0.308 54.645 54.840 0.188 0.000 0.828 432 L CB 1.663 43.848 42.059 0.210 0.000 1.249 432 L HN 0.635 nan 8.230 nan 0.000 0.409 433 R N 2.387 122.931 120.500 0.073 0.000 2.532 433 R HA 0.801 5.141 4.340 0.000 0.000 0.295 433 R C -0.941 175.338 176.300 -0.035 0.000 0.968 433 R CA -0.602 55.464 56.100 -0.056 0.000 0.916 433 R CB 1.893 32.213 30.300 0.033 0.000 1.124 433 R HN 0.630 nan 8.270 nan 0.000 0.463 434 T N 2.590 117.021 114.554 -0.205 0.000 2.841 434 T HA 0.351 4.701 4.350 0.000 0.000 0.285 434 T C -1.217 173.365 174.700 -0.198 0.000 0.991 434 T CA -0.619 61.453 62.100 -0.046 0.000 0.966 434 T CB 0.663 69.558 68.868 0.046 0.000 0.962 434 T HN 0.318 nan 8.240 nan 0.000 0.438 435 Y N 1.349 121.757 120.300 0.181 0.000 2.369 435 Y HA 0.606 5.156 4.550 0.000 0.000 0.337 435 Y C 0.820 176.718 175.900 -0.004 0.000 0.961 435 Y CA -0.754 57.425 58.100 0.131 0.000 1.186 435 Y CB 1.512 40.096 38.460 0.207 0.000 1.139 435 Y HN 0.864 nan 8.280 nan 0.000 0.494 436 G N 1.302 109.894 108.800 -0.346 0.000 2.452 436 G HA2 0.776 4.736 3.960 0.000 0.000 0.324 436 G HA3 0.776 4.736 3.960 0.000 0.000 0.324 436 G C -1.506 173.280 174.900 -0.190 0.000 1.214 436 G CA -0.991 43.762 45.100 -0.579 0.000 0.947 436 G HN 0.755 nan 8.290 nan 0.000 0.478 437 A N 1.790 124.739 122.820 0.216 0.000 2.437 437 A HA 0.801 5.121 4.320 0.000 0.000 0.293 437 A C -0.591 177.203 177.584 0.351 0.000 1.038 437 A CA -0.697 51.518 52.037 0.297 0.000 0.708 437 A CB 1.579 20.737 19.000 0.264 0.000 1.251 437 A HN 0.989 nan 8.150 nan 0.000 0.409 438 Q N 0.766 120.755 119.800 0.315 0.000 2.416 438 Q HA 0.842 5.182 4.340 0.000 0.000 0.281 438 Q C -0.966 175.140 176.000 0.177 0.000 1.067 438 Q CA -0.963 55.000 55.803 0.267 0.000 0.809 438 Q CB 2.520 31.418 28.738 0.267 0.000 1.418 438 Q HN 1.738 nan 8.270 nan 0.000 0.411 439 A N 2.143 125.051 122.820 0.146 0.000 2.579 439 A HA 0.389 4.709 4.320 0.000 0.000 0.288 439 A C -1.148 176.459 177.584 0.038 0.000 1.079 439 A CA -0.669 51.396 52.037 0.047 0.000 0.889 439 A CB 1.111 20.231 19.000 0.201 0.000 1.439 439 A HN 0.756 nan 8.150 nan 0.000 0.399 440 Q N 0.964 120.717 119.800 -0.078 0.000 2.378 440 Q HA 0.816 5.156 4.340 0.000 0.000 0.276 440 Q C -0.725 175.213 176.000 -0.103 0.000 1.083 440 Q CA -1.110 54.679 55.803 -0.024 0.000 0.856 440 Q CB 1.873 30.705 28.738 0.156 0.000 1.383 440 Q HN 0.485 nan 8.270 nan 0.000 0.458 441 N N 0.175 118.766 118.700 -0.183 0.000 2.425 441 N HA 0.223 4.963 4.740 0.000 0.000 0.289 441 N C -1.803 173.476 175.510 -0.384 0.000 1.074 441 N CA -0.304 52.637 53.050 -0.182 0.000 0.905 441 N CB 2.402 40.863 38.487 -0.044 0.000 1.586 441 N HN 0.768 nan 8.380 nan 0.000 0.490 442 T N 0.438 114.910 114.554 -0.136 0.000 2.837 442 T HA 0.644 4.994 4.350 0.000 0.000 0.285 442 T C -0.573 174.171 174.700 0.072 0.000 0.984 442 T CA -0.451 61.624 62.100 -0.042 0.000 1.049 442 T CB 0.813 69.685 68.868 0.007 0.000 0.947 442 T HN 0.255 nan 8.240 nan 0.000 0.472 443 S N 2.969 118.791 115.700 0.204 0.000 2.653 443 S HA 0.405 4.875 4.470 0.000 0.000 0.272 443 S C -0.032 174.808 174.600 0.400 0.000 1.221 443 S CA -0.832 57.551 58.200 0.306 0.000 1.149 443 S CB 0.463 63.890 63.200 0.378 0.000 1.029 443 S HN 0.685 nan 8.310 nan 0.000 0.481 444 R N 2.190 122.884 120.500 0.323 0.000 2.490 444 R HA 0.652 4.992 4.340 0.000 0.000 0.280 444 R C -0.446 176.154 176.300 0.501 0.000 1.077 444 R CA -0.091 56.220 56.100 0.352 0.000 1.065 444 R CB 0.489 30.903 30.300 0.191 0.000 1.003 444 R HN 0.675 nan 8.270 nan 0.000 0.470 445 F N -2.083 117.987 119.950 0.199 0.000 2.746 445 F HA 0.466 4.993 4.527 0.000 0.000 0.311 445 F C -1.550 174.400 175.800 0.251 0.000 1.135 445 F CA -1.040 57.074 58.000 0.190 0.000 0.954 445 F CB 1.260 40.352 39.000 0.153 0.000 1.276 445 F HN 0.297 nan 8.300 nan 0.000 0.440 446 S N 2.016 117.808 115.700 0.152 0.000 2.566 446 S HA 0.695 5.165 4.470 0.000 0.000 0.298 446 S C -0.478 174.222 174.600 0.166 0.000 1.083 446 S CA -0.601 57.665 58.200 0.110 0.000 0.978 446 S CB 2.024 65.297 63.200 0.121 0.000 1.073 446 S HN 0.687 nan 8.310 nan 0.000 0.491 447 L N 1.248 122.591 121.223 0.200 0.000 2.858 447 L HA 0.668 5.009 4.340 0.000 0.000 0.251 447 L C 0.353 177.324 176.870 0.168 0.000 1.149 447 L CA 0.467 55.422 54.840 0.190 0.000 0.955 447 L CB 0.036 42.210 42.059 0.191 0.000 1.289 447 L HN 0.880 nan 8.230 nan 0.000 0.542 448 A N -2.065 120.832 122.820 0.128 0.000 2.550 448 A HA 0.542 4.862 4.320 0.000 0.000 0.295 448 A C -2.227 175.332 177.584 -0.041 0.000 1.001 448 A CA -0.553 51.490 52.037 0.009 0.000 0.660 448 A CB -0.150 18.795 19.000 -0.092 0.000 1.308 448 A HN -0.116 nan 8.150 nan 0.000 0.426 449 P HA -0.101 nan 4.420 nan 0.000 0.219 449 P C 1.085 178.357 177.300 -0.047 0.000 1.145 449 P CA 2.433 65.510 63.100 -0.039 0.000 0.813 449 P CB 0.271 31.945 31.700 -0.043 0.000 0.771 450 G N -3.532 105.210 108.800 -0.097 0.000 4.008 450 G HA2 0.049 4.009 3.960 0.000 0.000 0.278 450 G HA3 0.049 4.009 3.960 0.000 0.000 0.278 450 G C -0.432 174.547 174.900 0.131 0.000 1.021 450 G CA -0.128 44.947 45.100 -0.042 0.000 0.833 450 G HN 0.321 nan 8.290 nan 0.000 0.454 451 H N 1.771 120.910 119.070 0.115 0.000 2.724 451 H HA 0.295 4.851 4.556 0.000 0.000 0.278 451 H C -0.932 174.432 175.328 0.060 0.000 1.159 451 H CA -0.901 55.249 56.048 0.170 0.000 1.254 451 H CB 1.041 30.941 29.762 0.230 0.000 1.412 451 H HN 0.051 nan 8.280 nan 0.000 0.488 452 D N 3.222 123.675 120.400 0.089 0.000 2.198 452 D HA 0.191 4.831 4.640 0.000 0.000 0.245 452 D C -0.424 175.746 176.300 -0.217 0.000 1.079 452 D CA -0.112 53.876 54.000 -0.019 0.000 0.854 452 D CB 1.161 41.959 40.800 -0.003 0.000 1.148 452 D HN 0.278 nan 8.370 nan 0.000 0.456 453 F N 0.801 120.603 119.950 -0.247 0.000 2.520 453 F HA 0.443 4.970 4.527 0.000 0.000 0.322 453 F C 0.659 176.419 175.800 -0.067 0.000 1.103 453 F CA -0.965 56.872 58.000 -0.271 0.000 0.926 453 F CB 1.915 40.410 39.000 -0.842 0.000 1.154 453 F HN -0.056 nan 8.300 nan 0.000 0.453 454 R N 1.947 122.597 120.500 0.249 0.000 2.439 454 R HA 0.833 5.173 4.340 0.000 0.000 0.310 454 R C -1.449 175.057 176.300 0.343 0.000 0.955 454 R CA -0.658 55.608 56.100 0.277 0.000 0.853 454 R CB 1.384 31.782 30.300 0.164 0.000 1.171 454 R HN 0.803 nan 8.270 nan 0.000 0.449 455 A N 3.702 126.769 122.820 0.413 0.000 2.318 455 A HA 0.411 4.731 4.320 0.000 0.000 0.324 455 A C -1.064 176.730 177.584 0.349 0.000 1.170 455 A CA -0.727 51.561 52.037 0.419 0.000 0.810 455 A CB 1.149 20.440 19.000 0.485 0.000 1.198 455 A HN 0.742 nan 8.150 nan 0.000 0.484 456 N N 1.461 120.362 118.700 0.336 0.000 2.461 456 N HA 0.607 5.347 4.740 0.000 0.000 0.284 456 N C -1.373 174.377 175.510 0.400 0.000 1.049 456 N CA -0.403 52.782 53.050 0.226 0.000 0.889 456 N CB 0.788 39.390 38.487 0.193 0.000 1.365 456 N HN 0.562 nan 8.380 nan 0.000 0.499 457 Y N 0.893 121.333 120.300 0.235 0.000 2.581 457 Y HA 0.973 5.523 4.550 0.000 0.000 0.345 457 Y C 0.369 176.057 175.900 -0.353 0.000 1.036 457 Y CA -1.016 57.057 58.100 -0.044 0.000 1.042 457 Y CB 1.363 39.803 38.460 -0.034 0.000 1.289 457 Y HN 0.593 nan 8.280 nan 0.000 0.471 458 G N 0.542 108.818 108.800 -0.873 0.000 2.336 458 G HA2 0.506 4.466 3.960 0.000 0.000 0.286 458 G HA3 0.506 4.466 3.960 0.000 0.000 0.286 458 G C -2.483 172.012 174.900 -0.675 0.000 1.269 458 G CA -0.461 44.253 45.100 -0.643 0.000 0.873 458 G HN 1.355 nan 8.290 nan 0.000 0.494 459 L N -2.559 118.561 121.223 -0.171 0.000 2.505 459 L HA 0.947 5.287 4.340 0.000 0.000 0.259 459 L C -0.902 176.122 176.870 0.257 0.000 0.952 459 L CA -0.793 54.088 54.840 0.068 0.000 0.840 459 L CB 2.244 44.359 42.059 0.093 0.000 1.358 459 L HN 0.816 nan 8.230 nan 0.000 0.409 460 E N 1.964 122.372 120.200 0.348 0.000 2.244 460 E HA 0.722 5.072 4.350 0.000 0.000 0.266 460 E C -2.083 174.785 176.600 0.446 0.000 0.914 460 E CA -0.821 55.811 56.400 0.386 0.000 0.794 460 E CB 2.203 32.130 29.700 0.378 0.000 1.210 460 E HN 0.675 nan 8.360 nan 0.000 0.414 461 F N 4.614 124.739 119.950 0.292 0.000 2.588 461 F HA 0.400 4.927 4.527 0.000 0.000 0.318 461 F C -2.001 174.005 175.800 0.344 0.000 1.155 461 F CA -0.528 57.628 58.000 0.261 0.000 0.967 461 F CB 1.046 40.151 39.000 0.174 0.000 1.236 461 F HN 0.451 nan 8.300 nan 0.000 0.455 462 Y N 4.374 124.387 120.300 -0.478 0.000 2.512 462 Y HA 0.669 5.219 4.550 0.000 0.000 0.348 462 Y C -2.235 173.375 175.900 -0.483 0.000 0.990 462 Y CA -2.359 55.547 58.100 -0.325 0.000 1.033 462 Y CB 0.955 39.377 38.460 -0.063 0.000 1.259 462 Y HN 0.607 nan 8.280 nan 0.000 0.461 463 Y N 3.190 123.385 120.300 -0.175 0.000 2.338 463 Y HA 0.474 5.024 4.550 0.000 0.000 0.328 463 Y C -1.167 174.815 175.900 0.136 0.000 0.965 463 Y CA -1.031 57.023 58.100 -0.077 0.000 1.208 463 Y CB 0.902 39.442 38.460 0.134 0.000 1.132 463 Y HN 0.759 nan 8.280 nan 0.000 0.469 464 D N 5.297 125.630 120.400 -0.112 0.000 2.256 464 D HA 0.204 4.844 4.640 0.000 0.000 0.250 464 D C -0.819 175.427 176.300 -0.091 0.000 1.093 464 D CA -0.089 53.907 54.000 -0.006 0.000 0.882 464 D CB 1.523 42.307 40.800 -0.026 0.000 1.185 464 D HN 0.517 nan 8.370 nan 0.000 0.437 465 K N 1.049 121.530 120.400 0.136 0.000 2.579 465 K HA 0.601 4.921 4.320 0.000 0.000 0.250 465 K C -1.314 175.367 176.600 0.134 0.000 0.952 465 K CA -0.698 55.698 56.287 0.181 0.000 0.857 465 K CB 1.185 33.961 32.500 0.459 0.000 1.123 465 K HN 0.362 nan 8.250 nan 0.000 0.433 466 A N 2.724 125.586 122.820 0.070 0.000 2.310 466 A HA 0.689 5.009 4.320 0.000 0.000 0.299 466 A C -0.633 176.994 177.584 0.072 0.000 1.147 466 A CA -0.356 51.714 52.037 0.055 0.000 0.818 466 A CB 0.735 19.739 19.000 0.008 0.000 1.096 466 A HN 0.773 nan 8.150 nan 0.000 0.495 467 T N -1.055 113.545 114.554 0.076 0.000 2.956 467 T HA 0.690 5.040 4.350 0.000 0.000 0.312 467 T C -0.684 174.060 174.700 0.073 0.000 1.151 467 T CA -0.600 61.548 62.100 0.080 0.000 1.024 467 T CB 1.491 70.419 68.868 0.100 0.000 1.140 467 T HN 1.011 nan 8.240 nan 0.000 0.473 468 S N 1.206 116.944 115.700 0.064 0.000 2.562 468 S HA 0.603 5.074 4.470 0.000 0.000 0.274 468 S C -2.122 172.512 174.600 0.057 0.000 1.160 468 S CA -0.732 57.505 58.200 0.062 0.000 0.933 468 S CB 1.065 64.294 63.200 0.049 0.000 1.100 468 S HN 1.120 nan 8.310 nan 0.000 0.468 469 D N 1.374 121.811 120.400 0.063 0.000 2.490 469 D HA 0.810 5.450 4.640 0.000 0.000 0.232 469 D C -0.511 175.831 176.300 0.071 0.000 1.053 469 D CA -0.556 53.479 54.000 0.059 0.000 0.914 469 D CB 1.945 42.778 40.800 0.056 0.000 1.431 469 D HN 0.390 nan 8.370 nan 0.000 0.483 470 S N -0.669 115.074 115.700 0.071 0.000 2.656 470 S HA 0.522 4.992 4.470 0.000 0.000 0.273 470 S C -0.186 174.470 174.600 0.092 0.000 1.168 470 S CA -0.145 58.116 58.200 0.103 0.000 0.817 470 S CB 1.152 64.423 63.200 0.118 0.000 1.146 470 S HN 0.754 nan 8.310 nan 0.000 0.475 471 S N 0.786 116.567 115.700 0.136 0.000 2.540 471 S HA 0.399 4.869 4.470 0.000 0.000 0.218 471 S C 0.464 175.100 174.600 0.060 0.000 0.977 471 S CA -0.406 57.858 58.200 0.108 0.000 0.918 471 S CB -0.103 63.177 63.200 0.133 0.000 0.806 471 S HN 0.565 nan 8.310 nan 0.000 0.496 472 R N 1.298 121.789 120.500 -0.015 0.000 2.457 472 R HA 0.354 4.694 4.340 0.000 0.000 0.284 472 R C 1.027 177.266 176.300 -0.102 0.000 1.024 472 R CA -0.672 55.322 56.100 -0.176 0.000 1.025 472 R CB 0.567 30.548 30.300 -0.532 0.000 1.063 472 R HN 0.183 nan 8.270 nan 0.000 0.493 473 Q N 0.930 120.674 119.800 -0.093 0.000 1.991 473 Q HA -0.199 4.141 4.340 0.000 0.000 0.213 473 Q C 1.508 177.477 176.000 -0.053 0.000 1.022 473 Q CA 2.523 58.292 55.803 -0.057 0.000 0.877 473 Q CB -0.404 28.302 28.738 -0.053 0.000 0.970 473 Q HN 0.911 nan 8.270 nan 0.000 0.414 474 G N -1.110 107.644 108.800 -0.076 0.000 3.233 474 G HA2 0.074 4.034 3.960 0.000 0.000 0.234 474 G HA3 0.074 4.034 3.960 0.000 0.000 0.234 474 G C 1.188 176.051 174.900 -0.062 0.000 1.137 474 G CA -0.232 44.830 45.100 -0.063 0.000 0.763 474 G HN 0.075 nan 8.290 nan 0.000 0.549 475 M N 0.742 120.302 119.600 -0.066 0.000 2.229 475 M HA -0.025 4.455 4.480 0.000 0.000 0.264 475 M C 2.195 178.498 176.300 0.006 0.000 1.063 475 M CA 1.005 56.286 55.300 -0.032 0.000 1.114 475 M CB -0.609 31.989 32.600 -0.004 0.000 1.387 475 M HN 0.360 nan 8.290 nan 0.000 0.420 476 E N -0.429 119.778 120.200 0.012 0.000 2.208 476 E HA -0.197 4.153 4.350 0.000 0.000 0.202 476 E C 1.657 178.268 176.600 0.018 0.000 1.014 476 E CA 1.444 57.859 56.400 0.024 0.000 0.819 476 E CB -0.449 29.264 29.700 0.023 0.000 0.735 476 E HN 0.632 nan 8.360 nan 0.000 0.469 477 G N -0.449 108.353 108.800 0.003 0.000 3.324 477 G HA2 0.122 4.082 3.960 0.000 0.000 0.251 477 G HA3 0.122 4.082 3.960 0.000 0.000 0.251 477 G C 1.264 176.160 174.900 -0.008 0.000 1.072 477 G CA -0.273 44.829 45.100 0.003 0.000 0.787 477 G HN 0.072 nan 8.290 nan 0.000 0.537 478 V N 1.215 121.121 119.914 -0.015 0.000 2.407 478 V HA -0.169 3.951 4.120 0.000 0.000 0.248 478 V C 2.999 179.096 176.094 0.006 0.000 1.055 478 V CA 2.534 64.822 62.300 -0.019 0.000 1.049 478 V CB -0.571 31.240 31.823 -0.020 0.000 0.662 478 V HN 0.398 nan 8.190 nan 0.000 0.455 479 T N -0.223 114.334 114.554 0.005 0.000 2.814 479 T HA 0.023 4.373 4.350 0.000 0.000 0.254 479 T C -0.801 173.894 174.700 -0.009 0.000 1.037 479 T CA 1.402 63.498 62.100 -0.005 0.000 1.143 479 T CB -0.686 68.169 68.868 -0.021 0.000 0.866 479 T HN 0.493 nan 8.240 nan 0.000 0.431 480 P HA 0.607 nan 4.420 nan 0.000 0.231 480 P C -1.369 175.934 177.300 0.004 0.000 1.164 480 P CA 0.030 63.130 63.100 0.001 0.000 0.760 480 P CB 0.781 32.484 31.700 0.005 0.000 1.586 481 A N -1.221 121.603 122.820 0.006 0.000 2.518 481 A HA 0.680 5.000 4.320 0.000 0.000 0.295 481 A C -0.468 177.123 177.584 0.012 0.000 1.052 481 A CA 0.155 52.203 52.037 0.018 0.000 0.824 481 A CB 0.501 19.521 19.000 0.033 0.000 1.325 481 A HN 0.623 nan 8.150 nan 0.000 0.394 482 G N 1.254 110.058 108.800 0.007 0.000 2.393 482 G HA2 0.649 4.609 3.960 0.000 0.000 0.264 482 G HA3 0.649 4.609 3.960 0.000 0.000 0.264 482 G C -1.495 173.387 174.900 -0.031 0.000 1.221 482 G CA 0.129 45.225 45.100 -0.006 0.000 0.912 482 G HN 2.024 nan 8.290 nan 0.000 0.483 483 N N -1.091 117.553 118.700 -0.093 0.000 2.405 483 N HA 0.683 5.423 4.740 0.000 0.000 0.274 483 N C -1.041 174.281 175.510 -0.315 0.000 1.170 483 N CA -0.850 52.058 53.050 -0.237 0.000 0.848 483 N CB 2.445 40.787 38.487 -0.241 0.000 1.629 483 N HN 0.716 nan 8.380 nan 0.000 0.481 484 R N 0.522 120.755 120.500 -0.445 0.000 2.548 484 R HA 0.631 4.971 4.340 0.000 0.000 0.280 484 R C -1.800 174.218 176.300 -0.470 0.000 1.061 484 R CA -0.557 55.334 56.100 -0.349 0.000 0.915 484 R CB 1.439 31.620 30.300 -0.197 0.000 1.210 484 R HN 0.909 nan 8.270 nan 0.000 0.442 485 S N 2.211 117.672 115.700 -0.397 0.000 2.677 485 S HA 0.358 4.828 4.470 0.000 0.000 0.283 485 S C -1.010 173.332 174.600 -0.431 0.000 1.159 485 S CA -0.754 57.148 58.200 -0.496 0.000 1.001 485 S CB 1.822 64.865 63.200 -0.260 0.000 1.032 485 S HN 0.364 nan 8.310 nan 0.000 0.487 486 V N 2.712 122.205 119.914 -0.702 0.000 2.547 486 V HA 0.917 5.037 4.120 0.000 0.000 0.299 486 V C -0.156 175.778 176.094 -0.266 0.000 1.040 486 V CA -0.387 61.691 62.300 -0.369 0.000 0.913 486 V CB 1.361 33.040 31.823 -0.240 0.000 0.992 486 V HN 1.424 nan 8.190 nan 0.000 0.449 487 A N 4.730 127.578 122.820 0.048 0.000 2.311 487 A HA 0.795 5.115 4.320 0.000 0.000 0.306 487 A C -0.203 177.516 177.584 0.225 0.000 1.189 487 A CA -0.401 51.788 52.037 0.253 0.000 0.791 487 A CB 1.330 20.561 19.000 0.385 0.000 1.172 487 A HN 0.876 nan 8.150 nan 0.000 0.481 488 S N 0.927 116.790 115.700 0.271 0.000 2.509 488 S HA 0.695 5.165 4.470 0.000 0.000 0.297 488 S C -0.942 173.832 174.600 0.290 0.000 1.118 488 S CA -0.328 58.038 58.200 0.277 0.000 1.074 488 S CB 1.122 64.511 63.200 0.315 0.000 1.038 488 S HN 0.669 nan 8.310 nan 0.000 0.498 489 L N 4.965 126.360 121.223 0.286 0.000 2.415 489 L HA 0.629 4.969 4.340 0.000 0.000 0.268 489 L C -1.270 175.730 176.870 0.218 0.000 0.984 489 L CA -0.402 54.551 54.840 0.188 0.000 0.853 489 L CB 0.565 42.737 42.059 0.188 0.000 1.215 489 L HN 0.639 nan 8.230 nan 0.000 0.419 490 F N 3.331 123.380 119.950 0.166 0.000 2.579 490 F HA 0.999 5.526 4.527 0.000 0.000 0.324 490 F C -0.572 175.330 175.800 0.169 0.000 1.058 490 F CA -1.126 56.962 58.000 0.146 0.000 0.944 490 F CB 1.856 40.930 39.000 0.123 0.000 1.245 490 F HN 0.489 nan 8.300 nan 0.000 0.477 491 A N 2.667 125.745 122.820 0.431 0.000 2.547 491 A HA 0.595 4.915 4.320 0.000 0.000 0.279 491 A C -1.894 175.891 177.584 0.335 0.000 1.088 491 A CA -0.755 51.492 52.037 0.351 0.000 0.796 491 A CB 0.401 19.506 19.000 0.176 0.000 1.308 491 A HN 0.709 nan 8.150 nan 0.000 0.415 492 N N 1.291 120.217 118.700 0.376 0.000 2.392 492 N HA 0.557 5.297 4.740 0.000 0.000 0.283 492 N C -1.267 174.394 175.510 0.252 0.000 1.003 492 N CA -0.381 52.825 53.050 0.260 0.000 0.892 492 N CB 2.020 40.628 38.487 0.202 0.000 1.193 492 N HN 0.520 nan 8.380 nan 0.000 0.487 493 L N 2.179 123.533 121.223 0.217 0.000 2.324 493 L HA 0.444 4.784 4.340 0.000 0.000 0.274 493 L C -0.273 176.727 176.870 0.215 0.000 1.012 493 L CA -0.198 54.791 54.840 0.248 0.000 0.859 493 L CB 0.606 42.819 42.059 0.256 0.000 1.224 493 L HN 0.430 nan 8.230 nan 0.000 0.429 494 T N 3.794 118.467 114.554 0.197 0.000 2.904 494 T HA 0.381 4.731 4.350 0.000 0.000 0.290 494 T C -1.405 173.389 174.700 0.157 0.000 1.018 494 T CA 0.216 62.400 62.100 0.140 0.000 1.075 494 T CB 0.770 69.692 68.868 0.090 0.000 0.986 494 T HN 0.392 nan 8.240 nan 0.000 0.523 495 Y N 1.544 121.766 120.300 -0.129 0.000 2.358 495 Y HA 0.449 4.999 4.550 0.000 0.000 0.324 495 Y C -1.779 173.932 175.900 -0.315 0.000 1.123 495 Y CA -1.721 56.157 58.100 -0.371 0.000 1.067 495 Y CB 1.145 39.320 38.460 -0.475 0.000 1.230 495 Y HN 0.571 nan 8.280 nan 0.000 0.429 496 D N 3.754 123.949 120.400 -0.341 0.000 2.272 496 D HA 0.436 5.076 4.640 0.000 0.000 0.247 496 D C -1.826 174.184 176.300 -0.484 0.000 0.990 496 D CA 0.075 53.810 54.000 -0.441 0.000 0.931 496 D CB 1.725 42.404 40.800 -0.201 0.000 1.195 496 D HN 0.514 nan 8.370 nan 0.000 0.477 497 Y N 0.800 120.735 120.300 -0.609 0.000 2.330 497 Y HA 0.196 4.746 4.550 0.000 0.000 0.324 497 Y C -0.754 174.886 175.900 -0.433 0.000 1.093 497 Y CA -0.770 57.041 58.100 -0.481 0.000 1.103 497 Y CB 1.155 39.197 38.460 -0.696 0.000 1.183 497 Y HN 0.316 nan 8.280 nan 0.000 0.433 498 D N 3.740 123.746 120.400 -0.657 0.000 3.018 498 D HA -0.229 4.411 4.640 0.000 0.000 0.224 498 D C 1.270 177.495 176.300 -0.125 0.000 1.185 498 D CA 2.177 55.917 54.000 -0.435 0.000 0.858 498 D CB -1.326 39.174 40.800 -0.501 0.000 1.112 498 D HN 1.380 nan 8.370 nan 0.000 0.415 499 G N -1.010 107.700 108.800 -0.150 0.000 2.155 499 G HA2 -0.339 3.621 3.960 0.000 0.000 0.257 499 G HA3 -0.339 3.621 3.960 0.000 0.000 0.257 499 G C 0.697 175.645 174.900 0.080 0.000 0.983 499 G CA 0.941 46.024 45.100 -0.029 0.000 0.676 499 G HN 0.628 nan 8.290 nan 0.000 0.528 500 W N -2.051 119.220 121.300 -0.048 0.000 2.942 500 W HA 0.641 5.301 4.660 0.000 0.000 0.260 500 W C 0.118 176.648 176.519 0.019 0.000 1.101 500 W CA 0.070 57.414 57.345 -0.001 0.000 1.436 500 W CB -0.060 29.407 29.460 0.011 0.000 0.883 500 W HN 0.346 nan 8.180 nan 0.000 0.646 501 L N 3.147 123.979 121.223 -0.650 0.000 2.322 501 L HA 0.702 5.042 4.340 0.000 0.000 0.279 501 L C -0.790 175.833 176.870 -0.412 0.000 1.036 501 L CA 0.153 54.626 54.840 -0.612 0.000 0.807 501 L CB 1.967 43.395 42.059 -1.052 0.000 1.226 501 L HN -0.039 nan 8.230 nan 0.000 0.433 502 T N 5.739 120.131 114.554 -0.269 0.000 3.050 502 T HA 0.508 4.858 4.350 0.000 0.000 0.310 502 T C -1.062 173.543 174.700 -0.159 0.000 0.978 502 T CA -0.344 61.621 62.100 -0.226 0.000 1.013 502 T CB 0.904 69.711 68.868 -0.102 0.000 1.000 502 T HN 0.260 nan 8.240 nan 0.000 0.447 503 L N 2.825 123.928 121.223 -0.200 0.000 2.296 503 L HA 0.595 4.935 4.340 0.000 0.000 0.286 503 L C 0.200 177.092 176.870 0.036 0.000 1.023 503 L CA -0.446 54.365 54.840 -0.049 0.000 0.812 503 L CB 1.348 43.406 42.059 -0.002 0.000 1.223 503 L HN 0.680 nan 8.230 nan 0.000 0.421 504 E N 1.460 121.696 120.200 0.060 0.000 2.244 504 E HA 0.655 5.005 4.350 0.000 0.000 0.260 504 E C -0.694 175.960 176.600 0.091 0.000 0.884 504 E CA -0.453 55.993 56.400 0.077 0.000 0.777 504 E CB 1.547 31.278 29.700 0.052 0.000 1.197 504 E HN 0.748 nan 8.360 nan 0.000 0.416 505 G N 1.720 110.587 108.800 0.112 0.000 2.473 505 G HA2 0.823 4.783 3.960 0.000 0.000 0.321 505 G HA3 0.823 4.783 3.960 0.000 0.000 0.321 505 G C -0.553 174.414 174.900 0.111 0.000 1.200 505 G CA -0.348 44.817 45.100 0.108 0.000 0.963 505 G HN 0.604 nan 8.290 nan 0.000 0.483 506 G N -1.096 107.763 108.800 0.099 0.000 2.466 506 G HA2 0.709 4.669 3.960 0.000 0.000 0.291 506 G HA3 0.709 4.669 3.960 0.000 0.000 0.291 506 G C -1.782 173.177 174.900 0.098 0.000 1.460 506 G CA -0.070 45.096 45.100 0.110 0.000 0.791 506 G HN 1.797 nan 8.290 nan 0.000 0.505 507 L N -2.595 118.705 121.223 0.129 0.000 2.731 507 L HA 0.876 5.216 4.340 0.000 0.000 0.256 507 L C -1.005 175.971 176.870 0.178 0.000 0.947 507 L CA -1.139 53.772 54.840 0.118 0.000 0.914 507 L CB 1.718 43.835 42.059 0.097 0.000 1.470 507 L HN 0.826 nan 8.230 nan 0.000 0.421 508 R N 1.017 121.610 120.500 0.155 0.000 2.740 508 R HA 0.644 4.984 4.340 0.000 0.000 0.282 508 R C -1.998 174.416 176.300 0.189 0.000 0.969 508 R CA -0.808 55.416 56.100 0.207 0.000 0.918 508 R CB 1.982 32.385 30.300 0.171 0.000 1.175 508 R HN 0.901 nan 8.270 nan 0.000 0.464 509 Y N 3.088 123.437 120.300 0.081 0.000 2.364 509 Y HA 0.367 4.917 4.550 0.000 0.000 0.340 509 Y C -1.179 174.757 175.900 0.059 0.000 0.975 509 Y CA -0.485 57.627 58.100 0.020 0.000 1.089 509 Y CB 1.494 39.959 38.460 0.009 0.000 1.192 509 Y HN 0.566 nan 8.280 nan 0.000 0.454 510 D N 5.670 125.693 120.400 -0.629 0.000 2.350 510 D HA 0.418 5.058 4.640 0.000 0.000 0.238 510 D C -1.226 174.731 176.300 -0.572 0.000 0.989 510 D CA -0.864 52.929 54.000 -0.346 0.000 0.921 510 D CB 2.500 43.328 40.800 0.047 0.000 1.297 510 D HN 0.582 nan 8.370 nan 0.000 0.490 511 R N 1.688 122.120 120.500 -0.114 0.000 2.549 511 R HA 0.173 4.513 4.340 0.000 0.000 0.291 511 R C -1.579 174.835 176.300 0.189 0.000 1.164 511 R CA -0.634 55.487 56.100 0.035 0.000 0.973 511 R CB 0.972 31.295 30.300 0.037 0.000 1.210 511 R HN 0.626 nan 8.270 nan 0.000 0.422 512 Y N 1.752 122.105 120.300 0.088 0.000 2.403 512 Y HA 0.652 5.202 4.550 0.000 0.000 0.323 512 Y C -0.845 175.045 175.900 -0.017 0.000 1.226 512 Y CA -1.080 57.009 58.100 -0.018 0.000 1.235 512 Y CB 1.349 39.767 38.460 -0.071 0.000 1.248 512 Y HN 0.583 nan 8.280 nan 0.000 0.489 513 R N 4.105 124.410 120.500 -0.325 0.000 2.518 513 R HA 0.402 4.742 4.340 0.000 0.000 0.296 513 R C -2.436 173.669 176.300 -0.326 0.000 1.080 513 R CA -0.808 55.040 56.100 -0.420 0.000 0.922 513 R CB 1.176 31.371 30.300 -0.175 0.000 1.184 513 R HN 0.817 nan 8.270 nan 0.000 0.445 514 L N 4.288 125.279 121.223 -0.387 0.000 2.275 514 L HA 0.570 4.910 4.340 0.000 0.000 0.288 514 L C -0.772 176.004 176.870 -0.155 0.000 1.046 514 L CA -0.107 54.615 54.840 -0.196 0.000 0.805 514 L CB 1.111 43.117 42.059 -0.089 0.000 1.193 514 L HN 0.653 nan 8.230 nan 0.000 0.426 515 R N 3.237 123.669 120.500 -0.114 0.000 2.621 515 R HA 0.843 5.183 4.340 0.000 0.000 0.284 515 R C -0.828 175.448 176.300 -0.040 0.000 0.998 515 R CA -0.746 55.316 56.100 -0.064 0.000 0.895 515 R CB 2.220 32.500 30.300 -0.032 0.000 1.195 515 R HN 0.897 nan 8.270 nan 0.000 0.450 516 G N 1.566 110.356 108.800 -0.016 0.000 2.355 516 G HA2 0.182 4.142 3.960 0.000 0.000 0.296 516 G HA3 0.182 4.142 3.960 0.000 0.000 0.296 516 G C -1.899 173.019 174.900 0.029 0.000 1.507 516 G CA -0.806 44.297 45.100 0.005 0.000 0.823 516 G HN 0.321 nan 8.290 nan 0.000 0.569 517 Q N -0.493 119.334 119.800 0.044 0.000 2.235 517 Q HA 0.836 5.176 4.340 0.000 0.000 0.256 517 Q C -0.004 176.050 176.000 0.090 0.000 0.951 517 Q CA -0.269 55.577 55.803 0.071 0.000 0.890 517 Q CB 2.136 30.910 28.738 0.060 0.000 1.279 517 Q HN 0.718 nan 8.270 nan 0.000 0.444 518 T N -0.262 114.378 114.554 0.143 0.000 2.830 518 T HA 0.799 5.149 4.350 0.000 0.000 0.322 518 T C -1.530 173.331 174.700 0.268 0.000 1.501 518 T CA -0.125 62.082 62.100 0.178 0.000 1.036 518 T CB 1.269 70.236 68.868 0.165 0.000 1.379 518 T HN 0.718 nan 8.240 nan 0.000 0.493 519 G N 1.072 110.027 108.800 0.259 0.000 2.677 519 G HA2 0.673 4.633 3.960 0.000 0.000 0.291 519 G HA3 0.673 4.633 3.960 0.000 0.000 0.291 519 G C -2.451 172.620 174.900 0.286 0.000 1.435 519 G CA -0.536 44.718 45.100 0.258 0.000 0.826 519 G HN 0.791 nan 8.290 nan 0.000 0.491 520 L N 0.117 121.507 121.223 0.277 0.000 2.482 520 L HA 0.811 5.151 4.340 0.000 0.000 0.263 520 L C -0.440 176.573 176.870 0.238 0.000 0.957 520 L CA -0.507 54.541 54.840 0.347 0.000 0.836 520 L CB 2.327 44.672 42.059 0.477 0.000 1.324 520 L HN 0.536 nan 8.230 nan 0.000 0.406 521 S N 3.081 118.927 115.700 0.242 0.000 2.482 521 S HA 0.830 5.300 4.470 0.000 0.000 0.303 521 S C -1.448 173.263 174.600 0.185 0.000 1.091 521 S CA -0.369 57.900 58.200 0.114 0.000 1.057 521 S CB 1.320 64.556 63.200 0.060 0.000 1.031 521 S HN 0.528 nan 8.310 nan 0.000 0.485 522 Y N -0.079 120.239 120.300 0.031 0.000 2.588 522 Y HA 0.762 5.312 4.550 0.000 0.000 0.343 522 Y C -3.410 172.483 175.900 -0.012 0.000 1.065 522 Y CA -3.273 54.826 58.100 -0.002 0.000 1.038 522 Y CB 0.221 38.656 38.460 -0.041 0.000 1.297 522 Y HN 0.329 nan 8.280 nan 0.000 0.467 523 P HA 0.219 nan 4.420 nan 0.000 0.271 523 P C -1.147 176.219 177.300 0.109 0.000 1.220 523 P CA 0.450 63.598 63.100 0.079 0.000 0.768 523 P CB 0.846 32.591 31.700 0.074 0.000 0.848 524 D N 1.831 122.242 120.400 0.019 0.000 2.859 524 D HA 0.307 4.947 4.640 0.000 0.000 0.223 524 D C -1.142 175.174 176.300 0.026 0.000 1.218 524 D CA -0.476 53.539 54.000 0.025 0.000 0.850 524 D CB 1.523 42.284 40.800 -0.065 0.000 1.656 524 D HN 0.129 nan 8.370 nan 0.000 0.484 525 L N 2.374 123.633 121.223 0.060 0.000 2.302 525 L HA 0.709 5.049 4.340 0.000 0.000 0.285 525 L C 0.019 176.927 176.870 0.064 0.000 1.090 525 L CA -0.082 54.853 54.840 0.159 0.000 0.866 525 L CB 0.221 42.429 42.059 0.249 0.000 1.244 525 L HN 0.490 nan 8.230 nan 0.000 0.435 526 A N 3.836 126.591 122.820 -0.108 0.000 2.540 526 A HA 0.560 4.880 4.320 0.000 0.000 0.291 526 A C -0.873 176.427 177.584 -0.474 0.000 1.083 526 A CA -0.624 51.107 52.037 -0.511 0.000 0.650 526 A CB 2.009 20.843 19.000 -0.277 0.000 1.292 526 A HN 0.514 nan 8.150 nan 0.000 0.435 527 K N -0.754 119.337 120.400 -0.515 0.000 4.675 527 K HA 0.261 4.581 4.320 0.000 0.000 0.244 527 K C -0.883 175.628 176.600 -0.148 0.000 1.075 527 K CA -0.218 55.930 56.287 -0.231 0.000 1.964 527 K CB 0.353 32.761 32.500 -0.153 0.000 2.954 527 K HN 0.668 nan 8.250 nan 0.000 0.670 528 D N 1.393 121.726 120.400 -0.111 0.000 2.671 528 D HA 0.129 4.769 4.640 0.000 0.000 0.228 528 D C 0.192 176.436 176.300 -0.093 0.000 1.102 528 D CA 0.608 54.560 54.000 -0.079 0.000 1.044 528 D CB -0.186 40.585 40.800 -0.048 0.000 1.113 528 D HN 0.807 nan 8.370 nan 0.000 0.480 529 G N 1.621 110.354 108.800 -0.113 0.000 2.187 529 G HA2 -0.297 3.663 3.960 0.000 0.000 0.261 529 G HA3 -0.297 3.663 3.960 0.000 0.000 0.261 529 G C 0.349 175.179 174.900 -0.117 0.000 1.000 529 G CA 0.029 45.062 45.100 -0.112 0.000 0.718 529 G HN 0.402 nan 8.290 nan 0.000 0.519 530 Q N -0.399 119.307 119.800 -0.157 0.000 2.333 530 Q HA 0.383 4.723 4.340 0.000 0.000 0.265 530 Q C 0.311 176.152 176.000 -0.264 0.000 0.989 530 Q CA -0.689 55.015 55.803 -0.164 0.000 0.842 530 Q CB 1.491 30.146 28.738 -0.139 0.000 1.262 530 Q HN 0.546 nan 8.270 nan 0.000 0.451 531 R N 2.759 123.156 120.500 -0.172 0.000 2.308 531 R HA 0.176 4.516 4.340 0.000 0.000 0.305 531 R C -0.885 175.365 176.300 -0.084 0.000 1.053 531 R CA -0.331 55.675 56.100 -0.157 0.000 0.957 531 R CB 0.444 30.718 30.300 -0.044 0.000 1.022 531 R HN 0.387 nan 8.270 nan 0.000 0.461 532 Y N 3.453 123.792 120.300 0.065 0.000 2.680 532 Y HA 0.070 4.620 4.550 0.000 0.000 0.356 532 Y C 1.015 177.000 175.900 0.142 0.000 1.122 532 Y CA 0.300 58.462 58.100 0.103 0.000 1.509 532 Y CB 0.260 38.798 38.460 0.130 0.000 1.245 532 Y HN 0.548 nan 8.280 nan 0.000 0.513 533 T N 0.868 115.574 114.554 0.253 0.000 2.883 533 T HA 0.296 4.646 4.350 0.000 0.000 0.284 533 T C 1.202 175.934 174.700 0.053 0.000 1.041 533 T CA -0.704 61.507 62.100 0.185 0.000 1.007 533 T CB 0.963 69.888 68.868 0.094 0.000 1.220 533 T HN 0.447 nan 8.240 nan 0.000 0.552 534 I N 1.364 121.814 120.570 -0.200 0.000 2.290 534 I HA -0.202 3.968 4.170 0.000 0.000 0.253 534 I C 1.301 177.268 176.117 -0.250 0.000 1.112 534 I CA 2.459 63.414 61.300 -0.575 0.000 1.377 534 I CB -0.041 37.609 38.000 -0.582 0.000 1.060 534 I HN 0.798 nan 8.210 nan 0.000 0.428 535 D N -1.639 118.697 120.400 -0.107 0.000 2.368 535 D HA 0.082 4.722 4.640 0.000 0.000 0.218 535 D C 0.210 176.514 176.300 0.007 0.000 1.112 535 D CA 0.014 53.983 54.000 -0.051 0.000 0.834 535 D CB -0.498 40.278 40.800 -0.041 0.000 0.953 535 D HN 0.368 nan 8.370 nan 0.000 0.505 536 N N 0.467 119.198 118.700 0.052 0.000 2.785 536 N HA 0.225 4.965 4.740 0.000 0.000 0.224 536 N C -3.118 172.535 175.510 0.238 0.000 1.448 536 N CA -1.081 52.044 53.050 0.125 0.000 0.748 536 N CB 1.162 39.720 38.487 0.118 0.000 1.385 536 N HN -0.184 nan 8.380 nan 0.000 0.538 537 P HA 0.173 nan 4.420 nan 0.000 0.277 537 P C 0.981 178.256 177.300 -0.043 0.000 1.240 537 P CA -0.558 62.630 63.100 0.146 0.000 0.798 537 P CB 1.294 33.063 31.700 0.115 0.000 0.979 538 c N 1.499 119.869 118.600 -0.383 0.000 2.413 538 c HA -0.149 4.421 4.570 0.000 0.000 0.278 538 c C 1.511 175.412 174.090 -0.316 0.000 1.224 538 c CA 1.749 57.516 56.329 -0.937 0.000 1.732 538 c CB -1.593 40.356 42.510 -0.935 0.000 2.050 538 c HN 0.685 nan 8.230 nan 0.000 0.463 539 K N -1.316 119.020 120.400 -0.107 0.000 3.582 539 K HA -0.090 4.230 4.320 0.000 0.000 0.257 539 K C 0.196 176.800 176.600 0.006 0.000 1.145 539 K CA 1.069 57.339 56.287 -0.028 0.000 1.005 539 K CB -2.112 30.375 32.500 -0.022 0.000 1.309 539 K HN 0.729 nan 8.250 nan 0.000 0.540 540 A N 0.387 123.212 122.820 0.009 0.000 2.366 540 A HA 0.397 4.717 4.320 0.000 0.000 0.250 540 A C 1.434 179.088 177.584 0.117 0.000 1.099 540 A CA 0.478 52.537 52.037 0.037 0.000 0.794 540 A CB 0.114 19.106 19.000 -0.013 0.000 1.056 540 A HN 0.205 nan 8.150 nan 0.000 0.499 541 L N -0.674 120.599 121.223 0.084 0.000 2.168 541 L HA 0.213 4.553 4.340 0.000 0.000 0.203 541 L C 1.157 178.126 176.870 0.165 0.000 1.078 541 L CA 1.464 56.369 54.840 0.108 0.000 0.780 541 L CB -0.437 41.653 42.059 0.052 0.000 0.939 541 L HN 0.742 nan 8.230 nan 0.000 0.451 542 R N -1.670 118.868 120.500 0.063 0.000 2.782 542 R HA 0.358 4.698 4.340 0.000 0.000 0.258 542 R C 0.987 177.134 176.300 -0.255 0.000 1.055 542 R CA -0.534 55.552 56.100 -0.023 0.000 1.065 542 R CB 0.569 30.846 30.300 -0.038 0.000 1.172 542 R HN -0.025 nan 8.270 nan 0.000 0.510 543 L N 0.579 121.531 121.223 -0.451 0.000 2.217 543 L HA -0.119 4.221 4.340 0.000 0.000 0.211 543 L C 1.758 178.470 176.870 -0.263 0.000 1.107 543 L CA 1.501 55.979 54.840 -0.603 0.000 0.783 543 L CB -0.421 41.291 42.059 -0.578 0.000 0.919 543 L HN 0.911 nan 8.230 nan 0.000 0.442 544 T N -3.463 110.998 114.554 -0.156 0.000 2.881 544 T HA -0.122 4.228 4.350 0.000 0.000 0.270 544 T C 1.601 176.270 174.700 -0.051 0.000 1.068 544 T CA 1.059 63.113 62.100 -0.077 0.000 1.131 544 T CB -0.638 68.201 68.868 -0.048 0.000 0.871 544 T HN 0.401 nan 8.240 nan 0.000 0.479 545 G N -1.004 107.758 108.800 -0.063 0.000 3.262 545 G HA2 0.238 4.198 3.960 0.000 0.000 0.228 545 G HA3 0.238 4.198 3.960 0.000 0.000 0.228 545 G C 0.961 175.851 174.900 -0.017 0.000 1.197 545 G CA 0.044 45.129 45.100 -0.026 0.000 0.819 545 G HN 0.565 nan 8.290 nan 0.000 0.531 546 c N 0.141 118.718 118.600 -0.038 0.000 3.757 546 c HA 0.380 4.950 4.570 0.000 0.000 0.358 546 c C 1.528 175.714 174.090 0.161 0.000 1.484 546 c CA 0.239 56.578 56.329 0.016 0.000 1.862 546 c CB -0.477 41.921 42.510 -0.186 0.000 2.654 546 c HN 0.464 nan 8.230 nan 0.000 0.699 547 S N 0.130 115.870 115.700 0.067 0.000 2.730 547 S HA 0.871 5.341 4.470 0.000 0.000 0.284 547 S C -0.404 174.221 174.600 0.041 0.000 1.153 547 S CA -0.088 58.150 58.200 0.063 0.000 0.995 547 S CB 1.597 64.814 63.200 0.028 0.000 1.058 547 S HN 0.365 nan 8.310 nan 0.000 0.552 548 T N -0.212 114.348 114.554 0.010 0.000 2.686 548 T HA 0.418 4.768 4.350 0.000 0.000 0.308 548 T C -1.299 173.369 174.700 -0.053 0.000 1.667 548 T CA -0.725 61.361 62.100 -0.024 0.000 0.987 548 T CB 1.302 70.142 68.868 -0.047 0.000 1.652 548 T HN 0.657 nan 8.240 nan 0.000 0.496 549 T N 2.071 116.579 114.554 -0.077 0.000 2.797 549 T HA 0.632 4.982 4.350 0.000 0.000 0.279 549 T C -0.571 174.009 174.700 -0.199 0.000 0.991 549 T CA -0.263 61.765 62.100 -0.120 0.000 0.979 549 T CB 1.119 69.942 68.868 -0.073 0.000 0.943 549 T HN 0.561 nan 8.240 nan 0.000 0.444 550 T N 3.773 118.104 114.554 -0.370 0.000 2.771 550 T HA 0.497 4.847 4.350 0.000 0.000 0.281 550 T C -0.098 174.323 174.700 -0.465 0.000 0.982 550 T CA -0.686 61.127 62.100 -0.478 0.000 0.978 550 T CB 0.933 69.377 68.868 -0.706 0.000 0.930 550 T HN 0.342 nan 8.240 nan 0.000 0.447 551 R N 2.437 122.783 120.500 -0.257 0.000 2.346 551 R HA 0.470 4.810 4.340 0.000 0.000 0.311 551 R C -0.624 175.593 176.300 -0.139 0.000 0.983 551 R CA -0.573 55.437 56.100 -0.149 0.000 0.880 551 R CB 0.768 31.017 30.300 -0.085 0.000 1.100 551 R HN 0.640 nan 8.270 nan 0.000 0.453 552 E N 2.216 122.366 120.200 -0.084 0.000 2.171 552 E HA 0.267 4.617 4.350 0.000 0.000 0.271 552 E C -1.245 175.197 176.600 -0.263 0.000 0.916 552 E CA -0.639 55.629 56.400 -0.221 0.000 0.774 552 E CB 1.080 30.659 29.700 -0.200 0.000 1.128 552 E HN 0.547 nan 8.360 nan 0.000 0.403 553 D N 4.812 124.994 120.400 -0.363 0.000 2.471 553 D HA 0.165 4.806 4.640 0.000 0.000 0.245 553 D C -1.196 174.947 176.300 -0.261 0.000 1.116 553 D CA -0.348 53.527 54.000 -0.208 0.000 0.853 553 D CB 0.544 41.293 40.800 -0.085 0.000 1.123 553 D HN 0.336 nan 8.370 nan 0.000 0.540 554 W N 1.108 122.453 121.300 0.074 0.000 2.351 554 W HA 0.248 4.908 4.660 0.000 0.000 0.311 554 W C 0.628 177.161 176.519 0.024 0.000 1.168 554 W CA -0.753 56.626 57.345 0.057 0.000 1.200 554 W CB 0.785 30.284 29.460 0.065 0.000 1.221 554 W HN 0.149 nan 8.180 nan 0.000 0.519 555 D N 2.793 123.322 120.400 0.214 0.000 2.500 555 D HA 0.205 4.845 4.640 0.000 0.000 0.219 555 D C -0.617 175.738 176.300 0.093 0.000 1.137 555 D CA -0.222 53.850 54.000 0.120 0.000 0.946 555 D CB 0.558 41.402 40.800 0.073 0.000 1.022 555 D HN 0.019 nan 8.370 nan 0.000 0.518 556 V N 3.231 123.185 119.914 0.067 0.000 2.572 556 V HA 0.238 4.358 4.120 0.000 0.000 0.291 556 V C 0.494 176.567 176.094 -0.036 0.000 1.039 556 V CA 0.081 62.374 62.300 -0.011 0.000 1.055 556 V CB 1.334 33.126 31.823 -0.052 0.000 0.969 556 V HN 0.458 nan 8.190 nan 0.000 0.482 557 D N 4.135 124.496 120.400 -0.065 0.000 2.881 557 D HA 0.181 4.821 4.640 0.000 0.000 0.238 557 D C -0.326 175.907 176.300 -0.113 0.000 1.368 557 D CA -0.532 53.421 54.000 -0.078 0.000 0.871 557 D CB 0.626 41.403 40.800 -0.038 0.000 1.516 557 D HN 0.729 nan 8.370 nan 0.000 0.544 558 R N 0.686 121.078 120.500 -0.181 0.000 2.778 558 R HA 0.819 5.159 4.340 0.000 0.000 0.277 558 R C -1.319 174.701 176.300 -0.467 0.000 0.977 558 R CA -0.855 55.115 56.100 -0.217 0.000 0.950 558 R CB 1.568 31.793 30.300 -0.125 0.000 1.165 558 R HN 0.048 nan 8.270 nan 0.000 0.474 559 D N 0.596 120.792 120.400 -0.341 0.000 2.891 559 D HA 0.208 4.848 4.640 0.000 0.000 0.224 559 D C -0.950 175.332 176.300 -0.029 0.000 1.321 559 D CA -0.714 53.055 54.000 -0.384 0.000 0.929 559 D CB 1.847 42.523 40.800 -0.208 0.000 1.551 559 D HN 0.521 nan 8.370 nan 0.000 0.574 560 Q N 0.790 120.731 119.800 0.235 0.000 2.496 560 Q HA 0.789 5.129 4.340 0.000 0.000 0.286 560 Q C -0.716 175.426 176.000 0.236 0.000 1.103 560 Q CA -1.619 54.385 55.803 0.335 0.000 0.813 560 Q CB 2.774 31.838 28.738 0.543 0.000 1.444 560 Q HN 0.646 nan 8.270 nan 0.000 0.443 561 G N 0.965 109.769 108.800 0.008 0.000 2.643 561 G HA2 0.547 4.507 3.960 0.000 0.000 0.305 561 G HA3 0.547 4.507 3.960 0.000 0.000 0.305 561 G C -1.509 173.046 174.900 -0.575 0.000 1.387 561 G CA -0.345 44.548 45.100 -0.344 0.000 0.982 561 G HN 0.376 nan 8.290 nan 0.000 0.501 562 K N 1.158 120.869 120.400 -1.148 0.000 2.340 562 K HA 0.771 5.091 4.320 0.000 0.000 0.244 562 K C -1.565 174.707 176.600 -0.546 0.000 0.973 562 K CA -0.872 54.811 56.287 -1.008 0.000 0.828 562 K CB 2.191 33.483 32.500 -2.015 0.000 1.226 562 K HN 0.376 nan 8.250 nan 0.000 0.437 563 L N 2.113 123.194 121.223 -0.237 0.000 2.333 563 L HA 0.579 4.919 4.340 0.000 0.000 0.280 563 L C -1.594 175.244 176.870 -0.052 0.000 1.004 563 L CA 0.148 54.971 54.840 -0.029 0.000 0.820 563 L CB 1.792 43.897 42.059 0.078 0.000 1.247 563 L HN 0.705 nan 8.230 nan 0.000 0.416 564 S N 6.035 121.728 115.700 -0.013 0.000 2.659 564 S HA 0.700 5.170 4.470 0.000 0.000 0.312 564 S C -2.732 171.867 174.600 -0.002 0.000 1.114 564 S CA -1.079 57.112 58.200 -0.014 0.000 1.063 564 S CB 1.464 64.662 63.200 -0.002 0.000 0.996 564 S HN 0.467 nan 8.310 nan 0.000 0.478 565 P HA 0.543 nan 4.420 nan 0.000 0.282 565 P C -0.604 176.648 177.300 -0.079 0.000 1.259 565 P CA -0.487 62.604 63.100 -0.014 0.000 0.826 565 P CB 0.865 32.575 31.700 0.017 0.000 1.064 566 T N -0.748 113.783 114.554 -0.038 0.000 2.909 566 T HA 0.794 5.144 4.350 0.000 0.000 0.299 566 T C -0.994 173.707 174.700 0.002 0.000 1.073 566 T CA -0.655 61.405 62.100 -0.066 0.000 0.999 566 T CB 0.838 69.677 68.868 -0.049 0.000 1.098 566 T HN 0.100 nan 8.240 nan 0.000 0.477 567 L N 0.652 121.882 121.223 0.011 0.000 2.465 567 L HA 0.949 5.289 4.340 0.000 0.000 0.257 567 L C -0.894 176.025 176.870 0.080 0.000 0.988 567 L CA -0.540 54.343 54.840 0.071 0.000 0.827 567 L CB 2.130 44.261 42.059 0.122 0.000 1.397 567 L HN 1.321 nan 8.230 nan 0.000 0.410 568 A N 1.405 124.282 122.820 0.094 0.000 2.605 568 A HA 0.896 5.216 4.320 0.000 0.000 0.294 568 A C -2.042 175.607 177.584 0.108 0.000 1.062 568 A CA -0.572 51.534 52.037 0.114 0.000 0.682 568 A CB 1.819 20.872 19.000 0.088 0.000 1.278 568 A HN 0.426 nan 8.150 nan 0.000 0.410 569 V N 0.054 120.052 119.914 0.140 0.000 2.733 569 V HA 0.846 4.966 4.120 0.000 0.000 0.306 569 V C -0.034 176.155 176.094 0.159 0.000 1.084 569 V CA 0.061 62.431 62.300 0.116 0.000 0.905 569 V CB 1.626 33.522 31.823 0.121 0.000 1.010 569 V HN 1.969 nan 8.190 nan 0.000 0.424 570 A N 3.700 126.589 122.820 0.115 0.000 2.515 570 A HA 1.007 5.327 4.320 0.000 0.000 0.298 570 A C -1.074 176.593 177.584 0.139 0.000 1.059 570 A CA -0.630 51.506 52.037 0.165 0.000 0.698 570 A CB 2.290 21.381 19.000 0.151 0.000 1.289 570 A HN 1.758 nan 8.150 nan 0.000 0.404 571 V N -0.301 119.736 119.914 0.205 0.000 2.733 571 V HA 0.621 4.741 4.120 0.000 0.000 0.306 571 V C -0.575 175.681 176.094 0.270 0.000 1.084 571 V CA -1.223 61.246 62.300 0.282 0.000 0.905 571 V CB 1.685 33.738 31.823 0.383 0.000 1.010 571 V HN 0.864 nan 8.190 nan 0.000 0.424 572 R N 4.086 124.764 120.500 0.296 0.000 2.404 572 R HA 0.243 4.584 4.340 0.000 0.000 0.315 572 R C -2.011 174.405 176.300 0.194 0.000 1.032 572 R CA -1.281 54.958 56.100 0.231 0.000 0.992 572 R CB 0.935 31.373 30.300 0.230 0.000 0.959 572 R HN 0.557 nan 8.270 nan 0.000 0.428 573 P HA -0.100 nan 4.420 nan 0.000 0.212 573 P C 0.990 178.239 177.300 -0.085 0.000 1.180 573 P CA 1.420 64.544 63.100 0.039 0.000 0.906 573 P CB 0.344 32.065 31.700 0.036 0.000 0.782 574 G N -2.068 106.692 108.800 -0.066 0.000 2.597 574 G HA2 0.187 4.147 3.960 0.000 0.000 0.196 574 G HA3 0.187 4.147 3.960 0.000 0.000 0.196 574 G C -0.105 174.757 174.900 -0.064 0.000 1.176 574 G CA 0.277 45.301 45.100 -0.126 0.000 0.747 574 G HN 0.339 nan 8.290 nan 0.000 0.821 575 V N 0.699 120.618 119.914 0.008 0.000 2.834 575 V HA 0.465 4.585 4.120 0.000 0.000 0.313 575 V C 0.798 176.967 176.094 0.126 0.000 1.060 575 V CA -0.442 61.894 62.300 0.060 0.000 0.989 575 V CB 1.944 33.808 31.823 0.069 0.000 1.041 575 V HN 0.403 nan 8.190 nan 0.000 0.459 576 E N 3.923 124.201 120.200 0.130 0.000 2.427 576 E HA -0.122 4.228 4.350 0.000 0.000 0.196 576 E C 1.434 178.129 176.600 0.158 0.000 1.028 576 E CA 0.788 57.264 56.400 0.127 0.000 0.864 576 E CB 0.030 29.785 29.700 0.091 0.000 0.813 576 E HN 0.903 nan 8.360 nan 0.000 0.514 577 W N 1.612 122.910 121.300 -0.003 0.000 2.313 577 W HA -0.139 4.521 4.660 0.000 0.000 0.293 577 W C -0.068 176.459 176.519 0.013 0.000 1.216 577 W CA 1.002 58.339 57.345 -0.013 0.000 1.223 577 W CB 0.087 29.526 29.460 -0.034 0.000 1.138 577 W HN 0.043 nan 8.180 nan 0.000 0.535 578 L N 0.604 121.922 121.223 0.157 0.000 2.466 578 L HA 0.352 4.692 4.340 0.000 0.000 0.258 578 L C -1.094 175.869 176.870 0.155 0.000 0.973 578 L CA -0.562 54.346 54.840 0.113 0.000 0.826 578 L CB 2.099 44.310 42.059 0.253 0.000 1.372 578 L HN -0.079 nan 8.230 nan 0.000 0.409 579 E N 3.919 124.231 120.200 0.187 0.000 2.241 579 E HA 0.529 4.879 4.350 0.000 0.000 0.263 579 E C -1.811 174.979 176.600 0.316 0.000 0.882 579 E CA -0.567 55.968 56.400 0.226 0.000 0.769 579 E CB 1.340 31.156 29.700 0.194 0.000 1.185 579 E HN 0.610 nan 8.360 nan 0.000 0.415 580 L N 5.256 126.644 121.223 0.275 0.000 2.309 580 L HA 0.551 4.891 4.340 0.000 0.000 0.282 580 L C -0.596 176.452 176.870 0.295 0.000 1.036 580 L CA -0.970 54.026 54.840 0.260 0.000 0.806 580 L CB 0.560 42.720 42.059 0.168 0.000 1.220 580 L HN 0.573 nan 8.230 nan 0.000 0.429 581 Y N 0.161 120.552 120.300 0.152 0.000 2.615 581 Y HA 0.806 5.356 4.550 0.000 0.000 0.341 581 Y C -0.874 175.109 175.900 0.138 0.000 1.089 581 Y CA -0.977 57.196 58.100 0.122 0.000 1.049 581 Y CB 2.171 40.685 38.460 0.090 0.000 1.296 581 Y HN 0.344 nan 8.280 nan 0.000 0.470 582 T N 1.721 116.453 114.554 0.296 0.000 3.295 582 T HA 0.494 4.844 4.350 0.000 0.000 0.331 582 T C -1.420 173.466 174.700 0.310 0.000 1.142 582 T CA -0.715 61.538 62.100 0.255 0.000 1.078 582 T CB 1.252 70.257 68.868 0.229 0.000 1.150 582 T HN 0.954 nan 8.240 nan 0.000 0.465 583 T N 1.310 116.052 114.554 0.313 0.000 2.848 583 T HA 0.720 5.070 4.350 0.000 0.000 0.285 583 T C -1.100 173.695 174.700 0.158 0.000 0.995 583 T CA -0.826 61.401 62.100 0.213 0.000 0.970 583 T CB 1.478 70.441 68.868 0.157 0.000 0.976 583 T HN 0.555 nan 8.240 nan 0.000 0.441 584 Y N 1.469 121.676 120.300 -0.155 0.000 2.468 584 Y HA 0.735 5.285 4.550 0.000 0.000 0.342 584 Y C -0.112 175.607 175.900 -0.301 0.000 1.021 584 Y CA -0.245 57.568 58.100 -0.477 0.000 1.079 584 Y CB 1.930 39.800 38.460 -0.984 0.000 1.226 584 Y HN 1.229 nan 8.280 nan 0.000 0.460 585 G N 4.481 112.577 108.800 -1.174 0.000 2.655 585 G HA2 0.344 4.304 3.960 0.000 0.000 0.296 585 G HA3 0.344 4.304 3.960 0.000 0.000 0.296 585 G C -2.167 172.272 174.900 -0.769 0.000 1.485 585 G CA -1.179 43.405 45.100 -0.859 0.000 0.869 585 G HN 0.604 nan 8.290 nan 0.000 0.540 586 K N 0.126 120.218 120.400 -0.514 0.000 2.106 586 K HA 0.845 5.165 4.320 0.000 0.000 0.246 586 K C -0.012 176.519 176.600 -0.116 0.000 0.987 586 K CA -0.637 55.495 56.287 -0.257 0.000 0.904 586 K CB 1.973 34.389 32.500 -0.141 0.000 1.071 586 K HN 0.465 nan 8.250 nan 0.000 0.453 587 S N -0.369 115.321 115.700 -0.017 0.000 2.843 587 S HA 0.648 5.118 4.470 0.000 0.000 0.301 587 S C -2.227 172.495 174.600 0.204 0.000 1.206 587 S CA -0.675 57.563 58.200 0.063 0.000 0.875 587 S CB 0.839 64.049 63.200 0.016 0.000 1.248 587 S HN 0.604 nan 8.310 nan 0.000 0.555 588 W N 1.655 122.917 121.300 -0.064 0.000 4.357 588 W HA 0.475 5.135 4.660 0.000 0.000 0.273 588 W C -1.626 174.831 176.519 -0.103 0.000 1.282 588 W CA -0.207 57.093 57.345 -0.076 0.000 1.334 588 W CB 0.722 30.134 29.460 -0.079 0.000 1.166 588 W HN 0.695 nan 8.180 nan 0.000 0.494 589 R N 7.006 127.154 120.500 -0.587 0.000 2.468 589 R HA 0.538 4.878 4.340 0.000 0.000 0.302 589 R C -2.625 173.089 176.300 -0.977 0.000 1.041 589 R CA -1.582 54.125 56.100 -0.655 0.000 0.899 589 R CB 1.905 31.991 30.300 -0.357 0.000 1.167 589 R HN 0.086 nan 8.270 nan 0.000 0.483 590 P HA 0.186 nan 4.420 nan 0.000 0.273 590 P C -2.633 174.195 177.300 -0.787 0.000 1.250 590 P CA -1.271 61.039 63.100 -1.317 0.000 0.793 590 P CB 0.152 30.702 31.700 -1.917 0.000 1.011 591 P HA 0.153 nan 4.420 nan 0.000 0.275 591 P C -0.513 176.555 177.300 -0.387 0.000 1.228 591 P CA 0.033 62.868 63.100 -0.443 0.000 0.786 591 P CB 0.247 31.760 31.700 -0.311 0.000 0.927 592 A N 2.568 125.091 122.820 -0.495 0.000 2.406 592 A HA 0.086 4.406 4.320 0.000 0.000 0.243 592 A C 1.395 178.777 177.584 -0.337 0.000 1.082 592 A CA -0.028 51.734 52.037 -0.458 0.000 0.786 592 A CB -0.559 17.921 19.000 -0.866 0.000 1.029 592 A HN 0.505 nan 8.150 nan 0.000 0.495 593 I N 0.957 121.396 120.570 -0.219 0.000 2.118 593 I HA -0.244 3.926 4.170 0.000 0.000 0.241 593 I C 2.602 178.605 176.117 -0.190 0.000 1.070 593 I CA 2.493 63.696 61.300 -0.161 0.000 1.327 593 I CB -0.720 37.216 38.000 -0.106 0.000 1.034 593 I HN 0.762 nan 8.210 nan 0.000 0.405 594 T N 0.567 114.990 114.554 -0.219 0.000 2.674 594 T HA -0.178 4.172 4.350 0.000 0.000 0.265 594 T C 1.596 176.084 174.700 -0.353 0.000 1.039 594 T CA 1.628 63.608 62.100 -0.200 0.000 1.150 594 T CB -0.449 68.378 68.868 -0.070 0.000 0.864 594 T HN 0.593 nan 8.240 nan 0.000 0.427 595 E N 0.545 120.295 120.200 -0.750 0.000 2.515 595 E HA -0.054 4.296 4.350 0.000 0.000 0.201 595 E C 1.387 177.802 176.600 -0.309 0.000 1.071 595 E CA 0.843 56.724 56.400 -0.864 0.000 0.880 595 E CB -0.313 28.629 29.700 -1.265 0.000 0.828 595 E HN 0.343 nan 8.360 nan 0.000 0.540 596 T N 0.566 114.974 114.554 -0.243 0.000 3.018 596 T HA 0.210 4.560 4.350 0.000 0.000 0.246 596 T C 1.472 176.134 174.700 -0.064 0.000 1.026 596 T CA 0.130 62.146 62.100 -0.140 0.000 1.081 596 T CB 0.248 69.021 68.868 -0.157 0.000 0.970 596 T HN 0.118 nan 8.240 nan 0.000 0.475 597 L N 0.651 121.845 121.223 -0.048 0.000 2.858 597 L HA 0.284 4.624 4.340 0.000 0.000 0.251 597 L C 1.022 177.916 176.870 0.039 0.000 1.149 597 L CA -0.124 54.720 54.840 0.007 0.000 0.955 597 L CB 0.201 42.257 42.059 -0.005 0.000 1.289 597 L HN 0.085 nan 8.230 nan 0.000 0.542 598 T N 2.462 117.040 114.554 0.041 0.000 2.905 598 T HA 0.061 4.411 4.350 0.000 0.000 0.299 598 T C 0.104 174.826 174.700 0.036 0.000 1.024 598 T CA 0.404 62.535 62.100 0.053 0.000 1.151 598 T CB -0.237 68.705 68.868 0.123 0.000 0.987 598 T HN 0.644 nan 8.240 nan 0.000 0.535 599 N N 2.859 121.554 118.700 -0.009 0.000 2.793 599 N HA 0.568 5.308 4.740 0.000 0.000 0.251 599 N C -0.401 175.048 175.510 -0.103 0.000 1.308 599 N CA -0.767 52.250 53.050 -0.056 0.000 0.781 599 N CB 1.057 39.560 38.487 0.026 0.000 1.439 599 N HN 0.839 nan 8.380 nan 0.000 0.562 600 G N 0.227 108.915 108.800 -0.186 0.000 2.348 600 G HA2 0.640 4.600 3.960 0.000 0.000 0.296 600 G HA3 0.640 4.600 3.960 0.000 0.000 0.296 600 G C -1.861 172.904 174.900 -0.225 0.000 1.258 600 G CA -0.340 44.654 45.100 -0.177 0.000 0.868 600 G HN 1.125 nan 8.290 nan 0.000 0.488 601 S N -1.951 113.632 115.700 -0.195 0.000 2.547 601 S HA 0.699 5.169 4.470 0.000 0.000 0.270 601 S C 0.459 174.921 174.600 -0.229 0.000 1.150 601 S CA 0.442 58.498 58.200 -0.239 0.000 0.850 601 S CB 1.497 64.551 63.200 -0.243 0.000 1.118 601 S HN 2.116 nan 8.310 nan 0.000 0.461 602 A N 0.615 123.257 122.820 -0.297 0.000 2.178 602 A HA 0.476 4.796 4.320 0.000 0.000 0.211 602 A C 0.486 178.025 177.584 -0.075 0.000 1.157 602 A CA 1.303 53.253 52.037 -0.146 0.000 0.780 602 A CB -0.790 18.217 19.000 0.013 0.000 0.828 602 A HN 1.433 nan 8.150 nan 0.000 0.476 603 H N -3.312 115.739 119.070 -0.032 0.000 3.043 603 H HA 0.470 5.026 4.556 0.000 0.000 0.317 603 H C -0.345 174.978 175.328 -0.009 0.000 1.321 603 H CA -0.772 55.267 56.048 -0.015 0.000 1.243 603 H CB -0.235 29.545 29.762 0.029 0.000 1.924 603 H HN 0.123 nan 8.280 nan 0.000 0.527 604 S N 1.411 117.194 115.700 0.139 0.000 2.566 604 S HA 0.298 4.768 4.470 0.000 0.000 0.280 604 S C 1.107 175.842 174.600 0.225 0.000 1.343 604 S CA 0.812 59.079 58.200 0.111 0.000 1.036 604 S CB 0.951 64.201 63.200 0.083 0.000 0.866 604 S HN 1.847 nan 8.310 nan 0.000 0.526 605 S N 0.995 116.784 115.700 0.149 0.000 1.283 605 S HA -0.167 4.303 4.470 0.000 0.000 0.252 605 S C -0.033 174.642 174.600 0.125 0.000 0.639 605 S CA 0.610 58.909 58.200 0.165 0.000 1.038 605 S CB -1.929 61.413 63.200 0.238 0.000 1.062 605 S HN 1.894 nan 8.310 nan 0.000 0.489 606 S N 0.428 116.163 115.700 0.058 0.000 2.548 606 S HA 0.720 5.190 4.470 0.000 0.000 0.276 606 S C -1.171 173.346 174.600 -0.139 0.000 1.129 606 S CA 0.433 58.613 58.200 -0.035 0.000 0.931 606 S CB 2.083 65.267 63.200 -0.028 0.000 1.068 606 S HN 0.538 nan 8.310 nan 0.000 0.480 607 T N 4.130 118.639 114.554 -0.074 0.000 2.921 607 T HA 0.418 4.768 4.350 0.000 0.000 0.297 607 T C -1.138 173.430 174.700 -0.220 0.000 1.013 607 T CA -0.593 61.398 62.100 -0.183 0.000 0.990 607 T CB 1.648 70.409 68.868 -0.177 0.000 1.023 607 T HN 0.645 nan 8.240 nan 0.000 0.447 608 Q N 1.921 121.526 119.800 -0.324 0.000 2.235 608 Q HA 0.524 4.864 4.340 0.000 0.000 0.250 608 Q C -1.253 174.516 176.000 -0.385 0.000 0.909 608 Q CA -0.505 55.150 55.803 -0.248 0.000 0.910 608 Q CB 1.456 30.097 28.738 -0.162 0.000 1.223 608 Q HN 0.618 nan 8.270 nan 0.000 0.432 609 Y N 0.746 120.999 120.300 -0.079 0.000 2.536 609 Y HA 0.391 4.941 4.550 0.000 0.000 0.347 609 Y C -2.182 173.734 175.900 0.027 0.000 1.000 609 Y CA -2.614 55.514 58.100 0.047 0.000 1.051 609 Y CB 1.580 40.162 38.460 0.204 0.000 1.259 609 Y HN 0.528 nan 8.280 nan 0.000 0.468 610 P HA 0.122 nan 4.420 nan 0.000 0.274 610 P C -0.869 176.641 177.300 0.350 0.000 1.231 610 P CA -0.291 62.967 63.100 0.265 0.000 0.790 610 P CB 0.629 32.489 31.700 0.267 0.000 0.951 611 N N 1.963 120.776 118.700 0.189 0.000 2.716 611 N HA 0.277 5.017 4.740 0.000 0.000 0.253 611 N C -2.433 173.086 175.510 0.015 0.000 1.170 611 N CA -2.304 50.880 53.050 0.222 0.000 0.807 611 N CB 0.663 39.283 38.487 0.221 0.000 1.183 611 N HN 0.055 nan 8.380 nan 0.000 0.524 612 P HA 0.226 nan 4.420 nan 0.000 0.253 612 P C -0.389 176.355 177.300 -0.926 0.000 1.281 612 P CA 0.526 63.267 63.100 -0.599 0.000 0.792 612 P CB -0.251 30.827 31.700 -1.036 0.000 1.193 613 F N -2.554 117.304 119.950 -0.152 0.000 2.880 613 F HA 0.226 4.753 4.527 0.000 0.000 0.328 613 F C 0.721 176.493 175.800 -0.046 0.000 1.146 613 F CA -0.589 57.349 58.000 -0.102 0.000 1.135 613 F CB -0.009 38.913 39.000 -0.131 0.000 1.151 613 F HN -0.297 nan 8.300 nan 0.000 0.523 614 L N 2.285 123.547 121.223 0.064 0.000 2.678 614 L HA -0.106 4.234 4.340 0.000 0.000 0.285 614 L C 0.669 177.534 176.870 -0.009 0.000 1.233 614 L CA 0.788 55.636 54.840 0.014 0.000 0.920 614 L CB 0.250 42.269 42.059 -0.067 0.000 1.176 614 L HN 0.298 nan 8.230 nan 0.000 0.495 615 Q N 5.235 125.037 119.800 0.004 0.000 2.259 615 Q HA 0.333 4.673 4.340 0.000 0.000 0.249 615 Q C -2.226 173.724 176.000 -0.083 0.000 0.914 615 Q CA -1.809 53.994 55.803 -0.001 0.000 0.904 615 Q CB 1.540 30.301 28.738 0.038 0.000 1.213 615 Q HN 0.309 nan 8.270 nan 0.000 0.428 616 P HA 0.060 nan 4.420 nan 0.000 0.278 616 P C -1.290 175.874 177.300 -0.228 0.000 1.238 616 P CA -0.207 62.697 63.100 -0.325 0.000 0.794 616 P CB 0.614 32.008 31.700 -0.509 0.000 0.955 617 E N 1.770 121.794 120.200 -0.294 0.000 2.373 617 E HA 0.261 4.612 4.350 0.000 0.000 0.267 617 E C 0.025 176.584 176.600 -0.069 0.000 1.032 617 E CA -0.245 56.076 56.400 -0.132 0.000 0.889 617 E CB 0.851 30.478 29.700 -0.123 0.000 0.984 617 E HN 0.326 nan 8.360 nan 0.000 0.425 618 R N 1.363 121.911 120.500 0.081 0.000 2.575 618 R HA 0.271 4.611 4.340 0.000 0.000 0.293 618 R C -1.013 175.364 176.300 0.128 0.000 0.983 618 R CA -0.320 55.880 56.100 0.166 0.000 0.887 618 R CB 1.448 31.880 30.300 0.220 0.000 1.184 618 R HN 0.729 nan 8.270 nan 0.000 0.445 619 S N 3.143 118.907 115.700 0.106 0.000 2.704 619 S HA 0.647 5.117 4.470 0.000 0.000 0.305 619 S C -0.746 173.876 174.600 0.037 0.000 1.107 619 S CA -0.965 57.283 58.200 0.080 0.000 0.993 619 S CB 1.905 65.138 63.200 0.056 0.000 1.110 619 S HN 0.744 nan 8.310 nan 0.000 0.534 620 R N 0.160 120.682 120.500 0.036 0.000 2.518 620 R HA 0.628 4.968 4.340 0.000 0.000 0.287 620 R C -1.845 174.460 176.300 0.008 0.000 1.135 620 R CA -0.592 55.502 56.100 -0.010 0.000 0.967 620 R CB 1.065 31.442 30.300 0.128 0.000 1.212 620 R HN 0.958 nan 8.270 nan 0.000 0.422 621 A N 4.289 127.021 122.820 -0.146 0.000 2.356 621 A HA 0.667 4.987 4.320 0.000 0.000 0.310 621 A C -1.871 175.680 177.584 -0.056 0.000 1.075 621 A CA -0.681 51.340 52.037 -0.027 0.000 0.746 621 A CB 0.767 19.750 19.000 -0.029 0.000 1.221 621 A HN 0.702 nan 8.150 nan 0.000 0.443 622 W N 0.674 122.058 121.300 0.140 0.000 2.627 622 W HA 0.656 5.316 4.660 0.000 0.000 0.339 622 W C 0.353 176.927 176.519 0.093 0.000 1.058 622 W CA -0.092 57.355 57.345 0.170 0.000 1.223 622 W CB 1.656 31.215 29.460 0.164 0.000 1.389 622 W HN 0.763 nan 8.180 nan 0.000 0.541 623 E N 1.184 121.605 120.200 0.369 0.000 2.317 623 E HA 0.679 5.029 4.350 0.000 0.000 0.270 623 E C -1.877 174.846 176.600 0.204 0.000 0.885 623 E CA -0.778 55.770 56.400 0.246 0.000 0.760 623 E CB 2.586 32.421 29.700 0.225 0.000 1.227 623 E HN 0.239 nan 8.360 nan 0.000 0.434 624 V N 2.227 122.195 119.914 0.090 0.000 2.668 624 V HA 0.817 4.937 4.120 0.000 0.000 0.304 624 V C -0.119 175.826 176.094 -0.248 0.000 1.071 624 V CA 0.003 62.267 62.300 -0.060 0.000 0.894 624 V CB 1.730 33.596 31.823 0.071 0.000 1.008 624 V HN 0.812 nan 8.190 nan 0.000 0.425 625 G N 3.767 112.153 108.800 -0.690 0.000 2.548 625 G HA2 0.782 4.742 3.960 0.000 0.000 0.301 625 G HA3 0.782 4.742 3.960 0.000 0.000 0.301 625 G C -1.694 172.860 174.900 -0.577 0.000 1.349 625 G CA -0.417 44.288 45.100 -0.659 0.000 0.792 625 G HN 1.069 nan 8.290 nan 0.000 0.481 626 F N -0.629 119.262 119.950 -0.099 0.000 2.631 626 F HA 0.754 5.281 4.527 0.000 0.000 0.308 626 F C -0.653 175.289 175.800 0.237 0.000 1.097 626 F CA -1.377 56.700 58.000 0.129 0.000 0.952 626 F CB 1.723 40.762 39.000 0.065 0.000 1.307 626 F HN 0.655 nan 8.300 nan 0.000 0.450 627 N N 0.725 119.694 118.700 0.447 0.000 2.312 627 N HA 0.708 5.448 4.740 0.000 0.000 0.296 627 N C -2.052 173.590 175.510 0.220 0.000 1.193 627 N CA -0.993 52.230 53.050 0.288 0.000 0.773 627 N CB 2.936 41.543 38.487 0.201 0.000 1.435 627 N HN 0.507 nan 8.380 nan 0.000 0.484 628 V N 0.780 120.740 119.914 0.077 0.000 2.407 628 V HA 0.276 4.396 4.120 0.000 0.000 0.291 628 V C -0.646 175.288 176.094 -0.267 0.000 1.018 628 V CA -0.559 61.630 62.300 -0.184 0.000 0.842 628 V CB 1.163 32.818 31.823 -0.279 0.000 0.996 628 V HN 0.685 nan 8.190 nan 0.000 0.426 629 Q N 3.476 123.113 119.800 -0.271 0.000 2.454 629 Q HA 0.475 4.815 4.340 0.000 0.000 0.255 629 Q C -0.844 175.001 176.000 -0.259 0.000 1.034 629 Q CA -0.414 55.246 55.803 -0.238 0.000 0.736 629 Q CB 1.909 30.578 28.738 -0.115 0.000 1.210 629 Q HN 0.682 nan 8.270 nan 0.000 0.500 630 Q N 3.401 123.011 119.800 -0.316 0.000 2.401 630 Q HA 0.387 4.727 4.340 0.000 0.000 0.260 630 Q C -2.678 173.241 176.000 -0.136 0.000 1.034 630 Q CA -2.095 53.568 55.803 -0.233 0.000 0.737 630 Q CB 1.350 29.850 28.738 -0.397 0.000 1.227 630 Q HN 0.217 nan 8.270 nan 0.000 0.488 631 P HA 0.147 nan 4.420 nan 0.000 0.272 631 P C -1.061 176.231 177.300 -0.014 0.000 1.223 631 P CA 0.049 63.121 63.100 -0.046 0.000 0.784 631 P CB 0.530 32.215 31.700 -0.026 0.000 0.923 632 D N 0.041 120.441 120.400 0.001 0.000 3.278 632 D HA -0.166 4.474 4.640 0.000 0.000 0.233 632 D C 0.237 176.550 176.300 0.022 0.000 1.149 632 D CA 0.504 54.527 54.000 0.039 0.000 0.957 632 D CB -0.830 40.000 40.800 0.051 0.000 0.913 632 D HN 0.236 nan 8.370 nan 0.000 0.409 633 L N -0.454 120.754 121.223 -0.026 0.000 2.327 633 L HA 0.241 4.581 4.340 0.000 0.000 0.192 633 L C 1.996 178.770 176.870 -0.160 0.000 1.158 633 L CA 0.926 55.620 54.840 -0.243 0.000 0.813 633 L CB -0.092 41.639 42.059 -0.546 0.000 1.021 633 L HN 0.403 nan 8.230 nan 0.000 0.481 634 W N -1.547 119.789 121.300 0.059 0.000 2.674 634 W HA 0.142 4.802 4.660 0.000 0.000 0.298 634 W C 0.543 177.301 176.519 0.399 0.000 1.115 634 W CA -0.892 56.511 57.345 0.096 0.000 1.532 634 W CB -0.096 29.262 29.460 -0.170 0.000 1.142 634 W HN -0.107 nan 8.180 nan 0.000 0.528 635 F N 1.168 121.351 119.950 0.390 0.000 2.410 635 F HA 0.286 4.813 4.527 0.000 0.000 0.324 635 F C 0.455 176.345 175.800 0.150 0.000 1.093 635 F CA -2.418 55.723 58.000 0.235 0.000 1.028 635 F CB -0.526 38.600 39.000 0.211 0.000 1.309 635 F HN -0.221 nan 8.300 nan 0.000 0.499 636 E N -0.169 120.218 120.200 0.312 0.000 2.259 636 E HA 0.421 4.771 4.350 0.000 0.000 0.281 636 E C 0.631 177.302 176.600 0.119 0.000 1.027 636 E CA 0.429 56.930 56.400 0.168 0.000 0.838 636 E CB 0.697 30.467 29.700 0.116 0.000 1.066 636 E HN 0.812 nan 8.360 nan 0.000 0.401 637 G N 4.097 112.936 108.800 0.066 0.000 2.157 637 G HA2 -0.247 3.713 3.960 0.000 0.000 0.248 637 G HA3 -0.247 3.713 3.960 0.000 0.000 0.248 637 G C -0.133 174.751 174.900 -0.026 0.000 0.979 637 G CA 0.343 45.454 45.100 0.018 0.000 0.650 637 G HN 0.755 nan 8.290 nan 0.000 0.529 638 D N -0.691 119.697 120.400 -0.021 0.000 2.387 638 D HA 0.644 5.284 4.640 0.000 0.000 0.251 638 D C 0.366 176.593 176.300 -0.122 0.000 1.141 638 D CA -0.682 53.238 54.000 -0.133 0.000 0.987 638 D CB 0.638 41.360 40.800 -0.129 0.000 1.116 638 D HN 0.292 nan 8.370 nan 0.000 0.491 639 R N -0.159 120.216 120.500 -0.209 0.000 2.518 639 R HA 0.348 4.688 4.340 0.000 0.000 0.296 639 R C -1.243 174.986 176.300 -0.119 0.000 1.080 639 R CA -0.864 55.144 56.100 -0.154 0.000 0.922 639 R CB 1.162 31.358 30.300 -0.172 0.000 1.184 639 R HN 0.422 nan 8.270 nan 0.000 0.445 640 L N 3.650 124.847 121.223 -0.042 0.000 2.350 640 L HA 0.645 4.985 4.340 0.000 0.000 0.275 640 L C -1.011 175.707 176.870 -0.253 0.000 1.099 640 L CA -0.169 54.635 54.840 -0.060 0.000 0.808 640 L CB 1.660 43.628 42.059 -0.151 0.000 1.149 640 L HN 0.384 nan 8.230 nan 0.000 0.442 641 V N 4.504 124.229 119.914 -0.315 0.000 2.969 641 V HA 0.962 5.082 4.120 0.000 0.000 0.304 641 V C -1.136 174.664 176.094 -0.491 0.000 1.192 641 V CA 0.285 62.245 62.300 -0.567 0.000 0.962 641 V CB 1.921 33.188 31.823 -0.926 0.000 1.045 641 V HN 1.223 nan 8.190 nan 0.000 0.428 642 A N 4.994 127.611 122.820 -0.338 0.000 2.608 642 A HA 0.891 5.211 4.320 0.000 0.000 0.292 642 A C -1.441 176.285 177.584 0.236 0.000 1.066 642 A CA -0.712 51.350 52.037 0.041 0.000 0.676 642 A CB 2.156 21.184 19.000 0.046 0.000 1.277 642 A HN 0.769 nan 8.150 nan 0.000 0.413 643 K N 0.809 121.312 120.400 0.171 0.000 2.553 643 K HA 0.635 4.956 4.320 0.000 0.000 0.250 643 K C -2.023 174.476 176.600 -0.168 0.000 0.953 643 K CA -0.397 55.889 56.287 -0.001 0.000 0.800 643 K CB 2.221 34.702 32.500 -0.031 0.000 1.243 643 K HN 0.587 nan 8.250 nan 0.000 0.435 644 V N 2.490 122.113 119.914 -0.485 0.000 2.531 644 V HA 0.791 4.911 4.120 0.000 0.000 0.301 644 V C -0.795 175.029 176.094 -0.450 0.000 1.034 644 V CA -0.745 61.234 62.300 -0.535 0.000 0.865 644 V CB 1.443 32.834 31.823 -0.720 0.000 0.995 644 V HN 0.898 nan 8.190 nan 0.000 0.424 645 A N 4.087 126.753 122.820 -0.256 0.000 2.454 645 A HA 0.864 5.184 4.320 0.000 0.000 0.302 645 A C -1.831 175.770 177.584 0.029 0.000 1.079 645 A CA -0.632 51.350 52.037 -0.092 0.000 0.731 645 A CB 1.727 20.751 19.000 0.040 0.000 1.299 645 A HN 0.972 nan 8.150 nan 0.000 0.413 646 Y N 1.813 122.084 120.300 -0.048 0.000 2.350 646 Y HA 0.647 5.197 4.550 0.000 0.000 0.338 646 Y C -1.166 174.781 175.900 0.079 0.000 0.961 646 Y CA -1.135 56.936 58.100 -0.048 0.000 1.100 646 Y CB 1.182 39.581 38.460 -0.102 0.000 1.179 646 Y HN 0.730 nan 8.280 nan 0.000 0.454 647 F N 2.916 122.505 119.950 -0.602 0.000 2.522 647 F HA 0.625 5.152 4.527 0.000 0.000 0.324 647 F C -1.330 174.110 175.800 -0.599 0.000 1.077 647 F CA -1.406 56.329 58.000 -0.442 0.000 0.944 647 F CB 1.715 40.598 39.000 -0.194 0.000 1.175 647 F HN 0.395 nan 8.300 nan 0.000 0.468 648 D N 1.680 121.974 120.400 -0.175 0.000 2.405 648 D HA 0.247 4.887 4.640 0.000 0.000 0.264 648 D C -1.243 175.155 176.300 0.164 0.000 1.240 648 D CA -0.062 53.893 54.000 -0.075 0.000 0.893 648 D CB 1.060 41.835 40.800 -0.042 0.000 1.198 648 D HN 0.630 nan 8.370 nan 0.000 0.514 649 T N 2.811 117.505 114.554 0.233 0.000 2.780 649 T HA 0.237 4.587 4.350 0.000 0.000 0.294 649 T C -0.058 174.792 174.700 0.249 0.000 0.949 649 T CA -0.312 61.922 62.100 0.223 0.000 1.074 649 T CB 0.909 69.893 68.868 0.194 0.000 0.910 649 T HN 0.220 nan 8.240 nan 0.000 0.501 650 K N 3.878 124.396 120.400 0.197 0.000 2.483 650 K HA 0.539 4.859 4.320 0.000 0.000 0.256 650 K C -1.128 175.572 176.600 0.167 0.000 0.961 650 K CA -0.610 55.779 56.287 0.170 0.000 0.873 650 K CB 0.737 33.327 32.500 0.149 0.000 1.107 650 K HN 0.357 nan 8.250 nan 0.000 0.432 651 V N 2.549 122.578 119.914 0.192 0.000 2.732 651 V HA 0.423 4.543 4.120 0.000 0.000 0.310 651 V C -0.567 175.627 176.094 0.166 0.000 1.053 651 V CA -0.815 61.606 62.300 0.202 0.000 0.957 651 V CB 1.665 33.682 31.823 0.324 0.000 1.018 651 V HN 0.953 nan 8.190 nan 0.000 0.452 652 D N 0.903 121.399 120.400 0.160 0.000 2.575 652 D HA 0.507 5.147 4.640 0.000 0.000 0.236 652 D C -0.259 176.128 176.300 0.146 0.000 1.075 652 D CA -0.865 53.219 54.000 0.141 0.000 0.860 652 D CB 1.245 42.107 40.800 0.104 0.000 1.475 652 D HN 0.396 nan 8.370 nan 0.000 0.474 653 N N -1.245 117.542 118.700 0.145 0.000 2.952 653 N HA -0.214 4.526 4.740 0.000 0.000 0.245 653 N C -1.044 174.556 175.510 0.150 0.000 1.029 653 N CA 0.091 53.212 53.050 0.119 0.000 0.870 653 N CB -2.469 36.055 38.487 0.062 0.000 1.121 653 N HN 0.625 nan 8.380 nan 0.000 0.559 654 Y N 1.840 122.187 120.300 0.079 0.000 2.815 654 Y HA 0.000 4.550 4.550 0.000 0.000 0.346 654 Y C 1.303 177.253 175.900 0.084 0.000 1.267 654 Y CA -0.382 57.767 58.100 0.082 0.000 1.604 654 Y CB 0.118 38.651 38.460 0.122 0.000 1.218 654 Y HN 0.199 nan 8.280 nan 0.000 0.527 655 I N 4.306 124.775 120.570 -0.167 0.000 2.648 655 I HA 0.196 4.366 4.170 0.000 0.000 0.284 655 I C -0.692 175.377 176.117 -0.081 0.000 1.153 655 I CA -0.360 60.884 61.300 -0.094 0.000 1.426 655 I CB 0.537 38.426 38.000 -0.185 0.000 1.381 655 I HN 0.519 nan 8.210 nan 0.000 0.571 656 N N 4.996 123.695 118.700 -0.003 0.000 2.264 656 N HA 0.321 5.061 4.740 0.000 0.000 0.288 656 N C -1.485 173.965 175.510 -0.099 0.000 1.094 656 N CA -0.770 52.195 53.050 -0.142 0.000 0.817 656 N CB 2.391 40.482 38.487 -0.661 0.000 1.604 656 N HN 0.606 nan 8.380 nan 0.000 0.473 657 L N 2.288 123.402 121.223 -0.182 0.000 2.500 657 L HA 0.361 4.701 4.340 0.000 0.000 0.272 657 L C -0.214 176.491 176.870 -0.274 0.000 1.149 657 L CA 0.138 54.657 54.840 -0.534 0.000 0.897 657 L CB -0.251 41.449 42.059 -0.598 0.000 1.178 657 L HN 0.634 nan 8.230 nan 0.000 0.473 658 A N 6.763 129.437 122.820 -0.243 0.000 2.342 658 A HA 0.696 5.016 4.320 0.000 0.000 0.323 658 A C -0.028 177.450 177.584 -0.178 0.000 1.125 658 A CA -0.773 51.209 52.037 -0.092 0.000 0.785 658 A CB 0.676 19.765 19.000 0.149 0.000 1.221 658 A HN 0.853 nan 8.150 nan 0.000 0.463 659 I N -1.239 119.242 120.570 -0.148 0.000 3.783 659 I HA 0.563 4.733 4.170 0.000 0.000 0.272 659 I C 0.381 176.464 176.117 -0.057 0.000 1.329 659 I CA -0.276 60.920 61.300 -0.174 0.000 0.887 659 I CB 0.192 38.042 38.000 -0.250 0.000 1.596 659 I HN 0.682 nan 8.210 nan 0.000 0.712 660 D N 1.139 121.522 120.400 -0.028 0.000 2.720 660 D HA -0.171 4.469 4.640 0.000 0.000 0.229 660 D C -0.641 175.693 176.300 0.056 0.000 1.198 660 D CA 0.682 54.700 54.000 0.030 0.000 0.639 660 D CB -0.252 40.583 40.800 0.058 0.000 1.003 660 D HN 0.432 nan 8.370 nan 0.000 0.411 661 R N 1.256 121.783 120.500 0.046 0.000 2.668 661 R HA 0.494 4.834 4.340 0.000 0.000 0.279 661 R C 0.395 176.804 176.300 0.182 0.000 0.976 661 R CA -0.661 55.515 56.100 0.126 0.000 0.978 661 R CB 1.082 31.374 30.300 -0.013 0.000 1.133 661 R HN 0.449 nan 8.270 nan 0.000 0.484 662 N N 1.216 120.060 118.700 0.240 0.000 2.354 662 N HA 0.262 5.002 4.740 0.000 0.000 0.287 662 N C -0.797 174.735 175.510 0.036 0.000 1.016 662 N CA -0.768 52.353 53.050 0.118 0.000 0.871 662 N CB 2.174 40.688 38.487 0.045 0.000 1.299 662 N HN 0.235 nan 8.380 nan 0.000 0.482 663 K N 1.207 121.573 120.400 -0.056 0.000 2.234 663 K HA 0.171 4.491 4.320 0.000 0.000 0.251 663 K C -2.260 174.130 176.600 -0.349 0.000 1.011 663 K CA -0.989 55.142 56.287 -0.259 0.000 0.889 663 K CB -0.256 32.122 32.500 -0.204 0.000 1.011 663 K HN 0.350 nan 8.250 nan 0.000 0.505 664 P HA -0.070 nan 4.420 nan 0.000 0.271 664 P C 0.362 177.309 177.300 -0.588 0.000 1.233 664 P CA 0.754 63.437 63.100 -0.695 0.000 0.795 664 P CB 0.279 31.297 31.700 -1.136 0.000 0.936 665 G N -1.148 107.384 108.800 -0.447 0.000 2.545 665 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 665 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 665 G C -0.862 173.991 174.900 -0.078 0.000 1.314 665 G CA -0.641 44.411 45.100 -0.081 0.000 0.906 665 G HN 0.560 nan 8.290 nan 0.000 0.563 666 L N 0.088 121.293 121.223 -0.031 0.000 2.473 666 L HA 0.377 4.717 4.340 0.000 0.000 0.268 666 L C 1.345 178.176 176.870 -0.065 0.000 1.215 666 L CA -0.732 54.045 54.840 -0.104 0.000 0.823 666 L CB 0.629 42.640 42.059 -0.080 0.000 1.099 666 L HN 0.448 nan 8.230 nan 0.000 0.483 667 V N 2.322 122.193 119.914 -0.071 0.000 2.420 667 V HA -0.052 4.068 4.120 0.000 0.000 0.274 667 V C 0.331 176.429 176.094 0.007 0.000 1.003 667 V CA 0.494 62.777 62.300 -0.028 0.000 1.092 667 V CB 0.148 31.963 31.823 -0.012 0.000 1.002 667 V HN 0.746 nan 8.190 nan 0.000 0.473 668 Q N 6.739 126.545 119.800 0.009 0.000 2.891 668 Q HA 0.384 4.724 4.340 0.000 0.000 0.242 668 Q C -2.565 173.451 176.000 0.027 0.000 0.959 668 Q CA -1.543 54.276 55.803 0.026 0.000 0.707 668 Q CB 1.528 30.287 28.738 0.036 0.000 1.283 668 Q HN 0.558 nan 8.270 nan 0.000 0.480 669 P HA 0.085 nan 4.420 nan 0.000 0.266 669 P C -1.049 176.276 177.300 0.042 0.000 1.195 669 P CA -0.039 63.081 63.100 0.032 0.000 0.768 669 P CB 1.095 32.813 31.700 0.030 0.000 0.838 670 S N 0.725 116.453 115.700 0.047 0.000 2.325 670 S HA 0.381 4.851 4.470 0.000 0.000 0.228 670 S C 1.112 175.743 174.600 0.051 0.000 0.942 670 S CA -0.139 58.094 58.200 0.054 0.000 1.070 670 S CB -0.238 63.002 63.200 0.067 0.000 1.232 670 S HN 0.577 nan 8.310 nan 0.000 0.405 671 G N 2.272 111.099 108.800 0.046 0.000 2.479 671 G HA2 -0.041 3.919 3.960 0.000 0.000 0.220 671 G HA3 -0.041 3.919 3.960 0.000 0.000 0.220 671 G C 1.285 176.191 174.900 0.010 0.000 1.115 671 G CA 0.868 45.989 45.100 0.035 0.000 0.757 671 G HN 0.875 nan 8.290 nan 0.000 0.560 672 G N 0.020 108.835 108.800 0.025 0.000 2.744 672 G HA2 -0.041 3.919 3.960 0.000 0.000 0.211 672 G HA3 -0.041 3.919 3.960 0.000 0.000 0.211 672 G C 0.548 175.457 174.900 0.014 0.000 1.143 672 G CA -0.412 44.692 45.100 0.007 0.000 0.788 672 G HN 0.288 nan 8.290 nan 0.000 0.534 673 N N 1.579 120.312 118.700 0.055 0.000 2.406 673 N HA 0.448 5.188 4.740 0.000 0.000 0.274 673 N C -0.061 175.447 175.510 -0.003 0.000 1.249 673 N CA 0.214 53.331 53.050 0.111 0.000 0.951 673 N CB 1.001 39.529 38.487 0.067 0.000 1.241 673 N HN 0.275 nan 8.380 nan 0.000 0.485 674 A N 1.357 124.169 122.820 -0.014 0.000 2.337 674 A HA 0.924 5.244 4.320 0.000 0.000 0.329 674 A C -0.643 176.770 177.584 -0.286 0.000 1.146 674 A CA -0.590 51.321 52.037 -0.211 0.000 0.800 674 A CB 1.264 20.082 19.000 -0.303 0.000 1.220 674 A HN 0.594 nan 8.150 nan 0.000 0.472 675 A N 0.743 123.262 122.820 -0.503 0.000 2.589 675 A HA 0.642 4.962 4.320 0.000 0.000 0.296 675 A C -1.611 175.669 177.584 -0.507 0.000 1.062 675 A CA -0.547 51.106 52.037 -0.640 0.000 0.686 675 A CB 0.534 18.645 19.000 -1.481 0.000 1.282 675 A HN 0.761 nan 8.150 nan 0.000 0.404 676 Y N 0.644 120.785 120.300 -0.266 0.000 2.335 676 Y HA 0.448 4.998 4.550 0.000 0.000 0.331 676 Y C 0.844 176.673 175.900 -0.118 0.000 1.094 676 Y CA 0.546 58.546 58.100 -0.166 0.000 1.253 676 Y CB 1.426 39.787 38.460 -0.165 0.000 1.203 676 Y HN 0.819 nan 8.280 nan 0.000 0.508 677 V N -0.032 119.949 119.914 0.113 0.000 3.114 677 V HA 0.524 4.644 4.120 0.000 0.000 0.308 677 V C -1.011 175.201 176.094 0.196 0.000 1.168 677 V CA -1.504 60.883 62.300 0.146 0.000 1.015 677 V CB 2.044 33.959 31.823 0.153 0.000 1.050 677 V HN 0.764 nan 8.190 nan 0.000 0.433 678 N N 2.849 121.641 118.700 0.153 0.000 2.488 678 N HA 0.262 5.002 4.740 0.000 0.000 0.274 678 N C -0.392 175.227 175.510 0.182 0.000 1.111 678 N CA -0.409 52.728 53.050 0.146 0.000 0.974 678 N CB 0.521 39.058 38.487 0.084 0.000 1.089 678 N HN 0.831 nan 8.380 nan 0.000 0.465 679 N N 2.274 121.142 118.700 0.280 0.000 2.492 679 N HA 0.024 4.764 4.740 0.000 0.000 0.260 679 N C 0.379 175.924 175.510 0.059 0.000 1.215 679 N CA 0.203 53.377 53.050 0.207 0.000 0.923 679 N CB 0.693 39.412 38.487 0.386 0.000 1.092 679 N HN 0.483 nan 8.380 nan 0.000 0.448 680 L N 0.679 121.871 121.223 -0.052 0.000 2.567 680 L HA 0.172 4.512 4.340 0.000 0.000 0.225 680 L C 0.625 177.483 176.870 -0.020 0.000 1.119 680 L CA 0.145 54.960 54.840 -0.041 0.000 0.871 680 L CB -0.062 41.942 42.059 -0.092 0.000 1.036 680 L HN 0.325 nan 8.230 nan 0.000 0.459 681 S N -0.608 115.086 115.700 -0.010 0.000 2.690 681 S HA 0.382 4.852 4.470 0.000 0.000 0.291 681 S C -0.066 174.552 174.600 0.031 0.000 1.138 681 S CA -0.817 57.383 58.200 0.001 0.000 1.013 681 S CB 1.301 64.493 63.200 -0.014 0.000 1.053 681 S HN -0.032 nan 8.310 nan 0.000 0.539 682 K N 2.413 122.823 120.400 0.017 0.000 2.322 682 K HA 0.286 4.606 4.320 0.000 0.000 0.283 682 K C -0.244 176.336 176.600 -0.032 0.000 1.042 682 K CA 0.023 56.322 56.287 0.019 0.000 0.958 682 K CB 0.302 32.814 32.500 0.021 0.000 0.984 682 K HN 0.519 nan 8.250 nan 0.000 0.473 683 T N 3.686 118.207 114.554 -0.055 0.000 2.795 683 T HA 0.432 4.782 4.350 0.000 0.000 0.282 683 T C 0.268 174.789 174.700 -0.298 0.000 0.980 683 T CA -0.819 61.132 62.100 -0.250 0.000 1.012 683 T CB 0.998 69.645 68.868 -0.368 0.000 0.936 683 T HN 0.542 nan 8.240 nan 0.000 0.457 684 R N 2.272 122.470 120.500 -0.503 0.000 2.533 684 R HA 0.501 4.841 4.340 0.000 0.000 0.288 684 R C -1.972 174.031 176.300 -0.495 0.000 1.039 684 R CA -0.782 55.119 56.100 -0.332 0.000 0.909 684 R CB 0.930 31.169 30.300 -0.101 0.000 1.195 684 R HN 0.485 nan 8.270 nan 0.000 0.438 685 F N 4.050 123.991 119.950 -0.015 0.000 2.426 685 F HA 0.574 5.101 4.527 0.000 0.000 0.348 685 F C 0.377 176.233 175.800 0.094 0.000 1.124 685 F CA -0.792 57.238 58.000 0.050 0.000 1.008 685 F CB 1.601 40.644 39.000 0.072 0.000 1.139 685 F HN 0.548 nan 8.300 nan 0.000 0.452 686 R N 1.786 122.328 120.500 0.071 0.000 2.680 686 R HA 0.952 5.292 4.340 0.000 0.000 0.269 686 R C -0.969 174.909 176.300 -0.704 0.000 1.026 686 R CA -1.113 54.687 56.100 -0.500 0.000 0.889 686 R CB 2.103 32.225 30.300 -0.296 0.000 1.241 686 R HN 0.853 nan 8.270 nan 0.000 0.463 687 G N 0.941 108.898 108.800 -1.405 0.000 2.325 687 G HA2 0.365 4.325 3.960 0.000 0.000 0.295 687 G HA3 0.365 4.325 3.960 0.000 0.000 0.295 687 G C -2.066 172.629 174.900 -0.341 0.000 1.274 687 G CA -0.994 43.787 45.100 -0.533 0.000 0.857 687 G HN 0.412 nan 8.290 nan 0.000 0.499 688 L N 0.471 121.751 121.223 0.096 0.000 2.410 688 L HA 0.552 4.892 4.340 0.000 0.000 0.270 688 L C -0.657 176.217 176.870 0.007 0.000 0.983 688 L CA -0.623 54.239 54.840 0.038 0.000 0.822 688 L CB 2.426 44.447 42.059 -0.064 0.000 1.285 688 L HN 0.586 nan 8.230 nan 0.000 0.409 689 E N 2.642 122.766 120.200 -0.128 0.000 2.171 689 E HA 0.448 4.798 4.350 0.000 0.000 0.271 689 E C -1.766 174.615 176.600 -0.366 0.000 0.916 689 E CA -0.619 55.705 56.400 -0.127 0.000 0.774 689 E CB 1.943 31.619 29.700 -0.039 0.000 1.128 689 E HN 0.296 nan 8.360 nan 0.000 0.403 690 Y N 1.781 122.157 120.300 0.127 0.000 2.341 690 Y HA 0.262 4.812 4.550 0.000 0.000 0.338 690 Y C -0.103 175.847 175.900 0.084 0.000 0.965 690 Y CA -0.891 57.267 58.100 0.096 0.000 1.108 690 Y CB 1.524 40.068 38.460 0.141 0.000 1.180 690 Y HN 0.304 nan 8.280 nan 0.000 0.458 691 Q N 4.412 124.322 119.800 0.182 0.000 2.271 691 Q HA 0.736 5.076 4.340 0.000 0.000 0.268 691 Q C -1.834 174.273 176.000 0.179 0.000 1.021 691 Q CA -1.007 54.886 55.803 0.150 0.000 0.802 691 Q CB 3.248 32.026 28.738 0.067 0.000 1.282 691 Q HN 0.819 nan 8.270 nan 0.000 0.431 692 L N 2.486 123.803 121.223 0.156 0.000 2.543 692 L HA 0.581 4.921 4.340 0.000 0.000 0.265 692 L C -2.200 174.716 176.870 0.077 0.000 0.945 692 L CA -0.413 54.488 54.840 0.101 0.000 0.869 692 L CB 2.462 44.581 42.059 0.100 0.000 1.294 692 L HN 0.834 nan 8.230 nan 0.000 0.405 693 N N 2.807 121.506 118.700 -0.001 0.000 2.346 693 N HA 0.390 5.130 4.740 0.000 0.000 0.289 693 N C -2.031 173.491 175.510 0.019 0.000 1.027 693 N CA -0.359 52.701 53.050 0.018 0.000 0.864 693 N CB 1.390 39.869 38.487 -0.014 0.000 1.370 693 N HN 0.509 nan 8.380 nan 0.000 0.481 694 Y N 2.608 122.876 120.300 -0.053 0.000 2.328 694 Y HA 0.442 4.992 4.550 0.000 0.000 0.337 694 Y C -1.241 174.614 175.900 -0.074 0.000 0.966 694 Y CA -1.038 57.004 58.100 -0.097 0.000 1.136 694 Y CB 1.176 39.587 38.460 -0.081 0.000 1.170 694 Y HN 0.491 nan 8.280 nan 0.000 0.470 695 D N 5.387 125.383 120.400 -0.673 0.000 2.464 695 D HA 0.528 5.168 4.640 0.000 0.000 0.243 695 D C -0.953 174.812 176.300 -0.891 0.000 1.104 695 D CA -0.110 53.510 54.000 -0.634 0.000 0.883 695 D CB 0.729 41.310 40.800 -0.365 0.000 1.050 695 D HN 0.726 nan 8.370 nan 0.000 0.524 696 A N 1.963 124.128 122.820 -1.090 0.000 2.279 696 A HA 0.628 4.948 4.320 0.000 0.000 0.303 696 A C 1.508 178.870 177.584 -0.369 0.000 1.108 696 A CA -0.030 51.591 52.037 -0.694 0.000 0.830 696 A CB 1.017 19.546 19.000 -0.786 0.000 1.106 696 A HN 0.544 nan 8.150 nan 0.000 0.493 697 G N -0.380 108.333 108.800 -0.144 0.000 2.459 697 G HA2 -0.127 3.833 3.960 0.000 0.000 0.217 697 G HA3 -0.127 3.833 3.960 0.000 0.000 0.217 697 G C 1.082 176.002 174.900 0.034 0.000 1.183 697 G CA 1.656 46.723 45.100 -0.054 0.000 0.776 697 G HN 0.919 nan 8.290 nan 0.000 0.552 698 V N -0.554 119.449 119.914 0.149 0.000 2.951 698 V HA 0.313 4.433 4.120 0.000 0.000 0.255 698 V C 0.703 177.046 176.094 0.415 0.000 1.088 698 V CA 0.976 63.441 62.300 0.274 0.000 1.109 698 V CB -1.298 30.727 31.823 0.336 0.000 0.724 698 V HN 0.417 nan 8.190 nan 0.000 0.471 699 F N -0.245 119.833 119.950 0.213 0.000 2.645 699 F HA 0.786 5.313 4.527 0.000 0.000 0.310 699 F C -1.016 174.959 175.800 0.291 0.000 1.102 699 F CA -2.277 55.876 58.000 0.254 0.000 0.952 699 F CB 1.249 40.349 39.000 0.166 0.000 1.326 699 F HN 0.080 nan 8.300 nan 0.000 0.456 700 Y N -0.086 120.254 120.300 0.067 0.000 2.638 700 Y HA 0.946 5.496 4.550 0.000 0.000 0.335 700 Y C -1.609 174.374 175.900 0.139 0.000 1.155 700 Y CA -1.688 56.376 58.100 -0.061 0.000 1.046 700 Y CB 1.563 39.954 38.460 -0.116 0.000 1.303 700 Y HN 1.126 nan 8.280 nan 0.000 0.460 701 A N 1.722 124.638 122.820 0.159 0.000 2.459 701 A HA 0.560 4.880 4.320 0.000 0.000 0.296 701 A C -2.180 175.491 177.584 0.145 0.000 1.039 701 A CA -0.502 51.607 52.037 0.119 0.000 0.698 701 A CB 1.718 20.833 19.000 0.191 0.000 1.261 701 A HN 0.832 nan 8.150 nan 0.000 0.405 702 D N 0.777 121.249 120.400 0.119 0.000 2.252 702 D HA 0.728 5.368 4.640 0.000 0.000 0.245 702 D C -1.162 175.214 176.300 0.127 0.000 1.009 702 D CA -0.117 53.960 54.000 0.128 0.000 0.870 702 D CB 1.385 42.261 40.800 0.127 0.000 1.251 702 D HN 0.443 nan 8.370 nan 0.000 0.460 703 L N 2.247 123.549 121.223 0.132 0.000 2.505 703 L HA 0.554 4.894 4.340 0.000 0.000 0.266 703 L C -1.197 175.771 176.870 0.163 0.000 0.954 703 L CA -0.229 54.704 54.840 0.156 0.000 0.852 703 L CB 2.030 44.177 42.059 0.146 0.000 1.282 703 L HN 0.649 nan 8.230 nan 0.000 0.403 704 T N 0.447 115.108 114.554 0.177 0.000 2.916 704 T HA 0.620 4.970 4.350 0.000 0.000 0.298 704 T C -1.289 173.543 174.700 0.221 0.000 1.031 704 T CA -0.716 61.475 62.100 0.152 0.000 0.993 704 T CB 1.755 70.645 68.868 0.037 0.000 1.045 704 T HN 0.463 nan 8.240 nan 0.000 0.454 705 Y N 0.915 121.290 120.300 0.125 0.000 2.442 705 Y HA 0.509 5.059 4.550 0.000 0.000 0.330 705 Y C -1.090 174.927 175.900 0.196 0.000 1.100 705 Y CA -0.479 57.700 58.100 0.133 0.000 1.034 705 Y CB 2.183 40.780 38.460 0.228 0.000 1.285 705 Y HN 0.947 nan 8.280 nan 0.000 0.440 706 T N 5.300 119.647 114.554 -0.345 0.000 2.797 706 T HA 0.215 4.565 4.350 0.000 0.000 0.279 706 T C -1.345 173.310 174.700 -0.075 0.000 0.991 706 T CA -0.493 61.557 62.100 -0.084 0.000 0.979 706 T CB 0.672 69.484 68.868 -0.093 0.000 0.943 706 T HN 0.560 nan 8.240 nan 0.000 0.444 707 H N 4.557 123.733 119.070 0.178 0.000 2.718 707 H HA 0.334 4.890 4.556 0.000 0.000 0.295 707 H C -0.812 174.588 175.328 0.119 0.000 1.051 707 H CA -0.894 55.292 56.048 0.231 0.000 1.260 707 H CB 0.568 30.575 29.762 0.408 0.000 1.403 707 H HN 0.383 nan 8.280 nan 0.000 0.488 708 M N 5.650 125.210 119.600 -0.067 0.000 2.216 708 M HA 0.287 4.767 4.480 0.000 0.000 0.356 708 M C 0.011 176.276 176.300 -0.059 0.000 1.205 708 M CA -0.351 54.930 55.300 -0.030 0.000 1.122 708 M CB 0.896 33.416 32.600 -0.134 0.000 1.571 708 M HN 0.517 nan 8.290 nan 0.000 0.464 709 I N 1.660 122.238 120.570 0.013 0.000 2.465 709 I HA 0.658 4.828 4.170 0.000 0.000 0.291 709 I C 0.474 176.580 176.117 -0.019 0.000 1.014 709 I CA -0.330 60.992 61.300 0.038 0.000 1.093 709 I CB 1.928 39.988 38.000 0.099 0.000 1.267 709 I HN 0.839 nan 8.210 nan 0.000 0.431 710 G N 5.200 113.990 108.800 -0.017 0.000 2.690 710 G HA2 -0.125 3.835 3.960 0.000 0.000 0.686 710 G HA3 -0.125 3.835 3.960 0.000 0.000 0.686 710 G C -1.216 173.671 174.900 -0.023 0.000 1.277 710 G CA -0.822 44.266 45.100 -0.020 0.000 0.799 710 G HN 0.596 nan 8.290 nan 0.000 0.613 711 K N 0.155 120.559 120.400 0.007 0.000 2.295 711 K HA 0.674 4.994 4.320 0.000 0.000 0.239 711 K C 0.279 176.864 176.600 -0.025 0.000 0.991 711 K CA -0.509 55.802 56.287 0.040 0.000 0.845 711 K CB 1.728 34.296 32.500 0.113 0.000 1.197 711 K HN 0.946 nan 8.250 nan 0.000 0.441 712 N N -0.375 118.295 118.700 -0.050 0.000 2.708 712 N HA 0.195 4.935 4.740 0.000 0.000 0.257 712 N C -1.727 173.743 175.510 -0.067 0.000 1.373 712 N CA -0.971 52.029 53.050 -0.082 0.000 0.843 712 N CB 2.030 40.421 38.487 -0.161 0.000 1.503 712 N HN 0.490 nan 8.380 nan 0.000 0.504 713 E N 0.225 120.401 120.200 -0.040 0.000 2.221 713 E HA 0.414 4.764 4.350 0.000 0.000 0.268 713 E C -1.600 175.038 176.600 0.064 0.000 0.933 713 E CA -0.821 55.575 56.400 -0.007 0.000 0.809 713 E CB 1.917 31.607 29.700 -0.017 0.000 1.190 713 E HN 0.438 nan 8.360 nan 0.000 0.406 714 F N 2.197 122.090 119.950 -0.095 0.000 2.415 714 F HA 0.467 4.994 4.527 0.000 0.000 0.348 714 F C -1.329 174.431 175.800 -0.066 0.000 1.119 714 F CA -1.292 56.665 58.000 -0.071 0.000 1.069 714 F CB 1.138 40.090 39.000 -0.079 0.000 1.124 714 F HN 0.566 nan 8.300 nan 0.000 0.472 715 c N 5.380 123.580 118.600 -0.667 0.000 2.442 715 c HA 0.715 5.286 4.570 0.000 0.000 0.335 715 c C -0.255 173.424 174.090 -0.686 0.000 1.134 715 c CA -0.506 55.473 56.329 -0.583 0.000 1.344 715 c CB -0.010 42.332 42.510 -0.279 0.000 1.956 715 c HN 0.954 nan 8.230 nan 0.000 0.438 716 S N 2.633 117.924 115.700 -0.681 0.000 2.874 716 S HA 0.538 5.008 4.470 0.000 0.000 0.318 716 S C 0.082 174.533 174.600 -0.248 0.000 1.109 716 S CA -0.496 57.440 58.200 -0.439 0.000 0.878 716 S CB 1.166 64.101 63.200 -0.440 0.000 1.307 716 S HN 0.499 nan 8.310 nan 0.000 0.592 717 N N -0.278 118.361 118.700 -0.102 0.000 2.294 717 N HA 0.256 4.996 4.740 0.000 0.000 0.186 717 N C 0.783 176.318 175.510 0.041 0.000 1.107 717 N CA 0.384 53.406 53.050 -0.046 0.000 0.884 717 N CB -0.087 38.406 38.487 0.010 0.000 1.030 717 N HN 0.774 nan 8.380 nan 0.000 0.482 718 K N -1.085 119.379 120.400 0.107 0.000 6.035 718 K HA -0.291 4.029 4.320 0.000 0.000 0.451 718 K C 0.073 176.858 176.600 0.307 0.000 0.399 718 K CA 1.448 57.857 56.287 0.203 0.000 1.899 718 K CB -1.512 31.119 32.500 0.218 0.000 0.814 718 K HN 0.175 nan 8.250 nan 0.000 0.694 719 A N 1.788 124.713 122.820 0.175 0.000 3.163 719 A HA 0.206 4.526 4.320 0.000 0.000 0.283 719 A C 0.148 177.679 177.584 -0.089 0.000 1.412 719 A CA -0.140 51.893 52.037 -0.006 0.000 1.053 719 A CB -0.618 18.352 19.000 -0.049 0.000 1.082 719 A HN 0.393 nan 8.150 nan 0.000 0.639 720 W N -0.532 120.740 121.300 -0.047 0.000 2.456 720 W HA 0.131 4.791 4.660 0.000 0.000 0.343 720 W C 0.383 176.859 176.519 -0.072 0.000 1.211 720 W CA 0.196 57.513 57.345 -0.047 0.000 1.353 720 W CB -0.400 29.051 29.460 -0.015 0.000 1.189 720 W HN 0.407 nan 8.180 nan 0.000 0.587 721 L N 1.212 122.217 121.223 -0.364 0.000 4.977 721 L HA -0.343 3.997 4.340 0.000 0.000 0.398 721 L C 1.593 178.169 176.870 -0.488 0.000 0.818 721 L CA 1.740 56.218 54.840 -0.602 0.000 2.090 721 L CB -1.971 39.416 42.059 -1.119 0.000 1.320 721 L HN 1.282 nan 8.230 nan 0.000 0.615 722 G N -0.761 107.791 108.800 -0.413 0.000 2.582 722 G HA2 -0.024 3.936 3.960 0.000 0.000 0.288 722 G HA3 -0.024 3.936 3.960 0.000 0.000 0.288 722 G C 0.923 175.627 174.900 -0.326 0.000 1.247 722 G CA 0.695 45.619 45.100 -0.292 0.000 0.972 722 G HN 1.939 nan 8.290 nan 0.000 0.557 723 G N -1.343 107.308 108.800 -0.249 0.000 2.323 723 G HA2 -0.146 3.814 3.960 0.000 0.000 0.292 723 G HA3 -0.146 3.814 3.960 0.000 0.000 0.292 723 G C 0.391 175.127 174.900 -0.273 0.000 1.040 723 G CA 1.301 46.249 45.100 -0.253 0.000 0.942 723 G HN 0.883 nan 8.290 nan 0.000 0.506 724 R N -0.643 119.735 120.500 -0.204 0.000 2.297 724 R HA 0.519 4.859 4.340 0.000 0.000 0.308 724 R C 0.697 176.916 176.300 -0.136 0.000 1.029 724 R CA -0.459 55.532 56.100 -0.181 0.000 0.929 724 R CB 0.913 31.129 30.300 -0.140 0.000 1.046 724 R HN 0.347 nan 8.270 nan 0.000 0.461 725 L N 2.790 123.930 121.223 -0.139 0.000 2.322 725 L HA 0.565 4.905 4.340 0.000 0.000 0.279 725 L C 0.555 177.325 176.870 -0.166 0.000 1.036 725 L CA -0.596 54.168 54.840 -0.126 0.000 0.807 725 L CB 1.300 43.290 42.059 -0.115 0.000 1.226 725 L HN 0.325 nan 8.230 nan 0.000 0.433 726 R N 1.197 121.612 120.500 -0.142 0.000 2.686 726 R HA 0.410 4.750 4.340 0.000 0.000 0.283 726 R C -1.456 174.762 176.300 -0.137 0.000 0.978 726 R CA -0.804 55.205 56.100 -0.152 0.000 0.897 726 R CB 1.538 31.808 30.300 -0.050 0.000 1.192 726 R HN 0.358 nan 8.270 nan 0.000 0.457 727 Y N 1.321 121.613 120.300 -0.013 0.000 2.544 727 Y HA 0.159 4.709 4.550 0.000 0.000 0.330 727 Y C 1.367 177.201 175.900 -0.110 0.000 1.136 727 Y CA 0.762 58.820 58.100 -0.070 0.000 1.417 727 Y CB 0.534 38.950 38.460 -0.072 0.000 1.229 727 Y HN 0.720 nan 8.280 nan 0.000 0.532 728 G N 1.512 110.275 108.800 -0.061 0.000 2.516 728 G HA2 0.058 4.018 3.960 0.000 0.000 0.276 728 G HA3 0.058 4.018 3.960 0.000 0.000 0.276 728 G C -0.764 174.030 174.900 -0.176 0.000 1.390 728 G CA -0.836 44.254 45.100 -0.017 0.000 1.050 728 G HN 0.604 nan 8.290 nan 0.000 0.519 729 D N 0.468 120.868 120.400 0.000 0.000 2.545 729 D HA 0.428 5.068 4.640 0.000 0.000 0.227 729 D C 0.563 176.814 176.300 -0.080 0.000 1.150 729 D CA 0.290 54.280 54.000 -0.017 0.000 1.046 729 D CB 0.321 41.157 40.800 0.062 0.000 1.098 729 D HN 0.516 nan 8.370 nan 0.000 0.502 730 G N -0.330 108.295 108.800 -0.291 0.000 2.519 730 G HA2 0.570 4.530 3.960 0.000 0.000 0.307 730 G HA3 0.570 4.530 3.960 0.000 0.000 0.307 730 G C -0.336 174.361 174.900 -0.338 0.000 1.266 730 G CA -0.704 44.187 45.100 -0.350 0.000 0.970 730 G HN 0.272 nan 8.290 nan 0.000 0.481 731 S N 0.278 115.743 115.700 -0.391 0.000 2.759 731 S HA 0.457 4.928 4.470 0.000 0.000 0.310 731 S C 1.114 175.134 174.600 -0.968 0.000 1.123 731 S CA -0.867 57.043 58.200 -0.483 0.000 0.959 731 S CB 2.013 65.052 63.200 -0.268 0.000 1.172 731 S HN 0.526 nan 8.310 nan 0.000 0.539 732 R N 0.399 120.473 120.500 -0.709 0.000 2.193 732 R HA -0.069 4.271 4.340 0.000 0.000 0.229 732 R C 2.301 178.341 176.300 -0.433 0.000 1.110 732 R CA 1.347 57.057 56.100 -0.651 0.000 0.988 732 R CB -0.341 29.852 30.300 -0.178 0.000 0.871 732 R HN 0.725 nan 8.270 nan 0.000 0.458 733 R N -0.638 119.664 120.500 -0.330 0.000 1.633 733 R HA -0.006 4.334 4.340 0.000 0.000 0.129 733 R C 1.889 178.132 176.300 -0.096 0.000 0.840 733 R CA 1.347 57.359 56.100 -0.146 0.000 1.694 733 R CB -0.926 29.313 30.300 -0.102 0.000 0.620 733 R HN 0.076 nan 8.270 nan 0.000 0.667 734 G N -0.149 108.609 108.800 -0.070 0.000 2.510 734 G HA2 -0.105 3.855 3.960 0.000 0.000 0.212 734 G HA3 -0.105 3.855 3.960 0.000 0.000 0.212 734 G C 0.451 175.349 174.900 -0.002 0.000 1.151 734 G CA -0.218 44.869 45.100 -0.020 0.000 0.817 734 G HN 0.439 nan 8.290 nan 0.000 0.534 735 N N 1.076 119.753 118.700 -0.038 0.000 2.938 735 N HA 0.111 4.851 4.740 0.000 0.000 0.286 735 N C -1.024 174.461 175.510 -0.041 0.000 1.316 735 N CA -0.069 53.027 53.050 0.077 0.000 1.063 735 N CB -0.512 38.035 38.487 0.099 0.000 1.388 735 N HN 0.067 nan 8.380 nan 0.000 0.545 736 F N 1.647 121.618 119.950 0.036 0.000 2.413 736 F HA 0.239 4.766 4.527 0.000 0.000 0.359 736 F C 0.191 176.072 175.800 0.136 0.000 1.122 736 F CA -0.972 57.022 58.000 -0.011 0.000 1.160 736 F CB -0.125 38.838 39.000 -0.061 0.000 1.146 736 F HN 0.108 nan 8.300 nan 0.000 0.514 737 Y N 1.793 122.284 120.300 0.319 0.000 2.571 737 Y HA 0.759 5.309 4.550 0.000 0.000 0.341 737 Y C -1.529 174.525 175.900 0.256 0.000 1.076 737 Y CA -2.007 56.245 58.100 0.255 0.000 1.029 737 Y CB 0.694 39.249 38.460 0.159 0.000 1.308 737 Y HN 0.264 nan 8.280 nan 0.000 0.461 738 V N -0.075 120.057 119.914 0.363 0.000 2.732 738 V HA 0.834 4.954 4.120 0.000 0.000 0.310 738 V C -0.619 175.618 176.094 0.237 0.000 1.053 738 V CA -0.851 61.559 62.300 0.182 0.000 0.957 738 V CB 1.474 33.306 31.823 0.016 0.000 1.018 738 V HN 1.033 nan 8.190 nan 0.000 0.452 739 E N 2.140 122.428 120.200 0.147 0.000 2.369 739 E HA 0.681 5.031 4.350 0.000 0.000 0.270 739 E C -3.174 173.446 176.600 0.033 0.000 0.909 739 E CA -2.582 53.885 56.400 0.112 0.000 0.775 739 E CB 2.261 32.050 29.700 0.148 0.000 1.270 739 E HN 0.433 nan 8.360 nan 0.000 0.445 740 P HA 0.080 nan 4.420 nan 0.000 0.271 740 P C -1.054 176.235 177.300 -0.018 0.000 1.216 740 P CA 0.026 63.116 63.100 -0.017 0.000 0.771 740 P CB 0.436 32.125 31.700 -0.018 0.000 0.864 741 D N 2.580 122.956 120.400 -0.040 0.000 2.485 741 D HA 0.312 4.952 4.640 0.000 0.000 0.229 741 D C 1.060 177.339 176.300 -0.034 0.000 1.101 741 D CA -0.501 53.477 54.000 -0.036 0.000 0.906 741 D CB 0.373 41.141 40.800 -0.054 0.000 1.019 741 D HN 0.210 nan 8.370 nan 0.000 0.516 742 A N 3.397 126.205 122.820 -0.020 0.000 1.972 742 A HA -0.008 4.312 4.320 0.000 0.000 0.219 742 A C 2.134 179.718 177.584 0.001 0.000 1.169 742 A CA 1.614 53.643 52.037 -0.014 0.000 0.635 742 A CB -0.412 18.583 19.000 -0.007 0.000 0.810 742 A HN 0.577 nan 8.150 nan 0.000 0.446 743 A N -0.727 122.095 122.820 0.003 0.000 1.883 743 A HA -0.141 4.179 4.320 0.000 0.000 0.217 743 A C 2.484 180.092 177.584 0.041 0.000 1.186 743 A CA 2.192 54.242 52.037 0.021 0.000 0.624 743 A CB -0.996 18.003 19.000 -0.002 0.000 0.822 743 A HN 0.556 nan 8.150 nan 0.000 0.444 744 S N -0.259 115.437 115.700 -0.006 0.000 2.399 744 S HA -0.156 4.314 4.470 0.000 0.000 0.231 744 S C 1.912 176.543 174.600 0.052 0.000 1.022 744 S CA 1.460 59.658 58.200 -0.004 0.000 0.983 744 S CB -0.560 62.604 63.200 -0.059 0.000 0.803 744 S HN 0.648 nan 8.310 nan 0.000 0.480 745 N N 1.803 120.509 118.700 0.010 0.000 2.135 745 N HA -0.034 4.706 4.740 0.000 0.000 0.186 745 N C 0.902 176.426 175.510 0.024 0.000 1.027 745 N CA 1.397 54.440 53.050 -0.012 0.000 0.849 745 N CB -0.647 37.811 38.487 -0.048 0.000 1.002 745 N HN 0.417 nan 8.380 nan 0.000 0.425 746 D N -0.226 120.200 120.400 0.043 0.000 2.363 746 D HA -0.028 4.612 4.640 0.000 0.000 0.226 746 D C 0.082 176.429 176.300 0.077 0.000 1.020 746 D CA -0.027 53.997 54.000 0.040 0.000 0.892 746 D CB -0.509 40.311 40.800 0.033 0.000 0.900 746 D HN 0.215 nan 8.370 nan 0.000 0.531 747 F N 1.277 121.209 119.950 -0.031 0.000 2.495 747 F HA 0.200 4.727 4.527 0.000 0.000 0.365 747 F C -0.167 175.616 175.800 -0.027 0.000 1.090 747 F CA -0.286 57.699 58.000 -0.025 0.000 1.235 747 F CB 0.641 39.629 39.000 -0.021 0.000 1.119 747 F HN -0.356 nan 8.300 nan 0.000 0.562 748 V N 5.297 124.708 119.914 -0.838 0.000 2.531 748 V HA 0.362 4.482 4.120 0.000 0.000 0.301 748 V C -0.127 175.461 176.094 -0.843 0.000 1.034 748 V CA -0.537 61.370 62.300 -0.654 0.000 0.865 748 V CB 2.000 33.614 31.823 -0.348 0.000 0.995 748 V HN 0.893 nan 8.190 nan 0.000 0.424 749 T N 1.309 115.513 114.554 -0.584 0.000 2.925 749 T HA 0.626 4.976 4.350 0.000 0.000 0.285 749 T C -0.632 173.906 174.700 -0.270 0.000 1.021 749 T CA -0.581 61.292 62.100 -0.378 0.000 1.042 749 T CB 1.580 70.332 68.868 -0.192 0.000 1.037 749 T HN 0.608 nan 8.240 nan 0.000 0.481 750 c N 3.541 122.037 118.600 -0.174 0.000 2.381 750 c HA 0.633 5.203 4.570 0.000 0.000 0.328 750 c C 0.348 174.395 174.090 -0.071 0.000 1.190 750 c CA 0.004 56.245 56.329 -0.147 0.000 1.369 750 c CB -0.265 42.172 42.510 -0.122 0.000 2.029 750 c HN 1.188 nan 8.230 nan 0.000 0.448 751 D N 1.863 122.236 120.400 -0.046 0.000 3.639 751 D HA -0.192 4.449 4.640 0.000 0.000 0.162 751 D C 1.214 177.479 176.300 -0.059 0.000 1.054 751 D CA 2.404 56.389 54.000 -0.025 0.000 1.085 751 D CB -1.174 39.604 40.800 -0.037 0.000 0.547 751 D HN 1.607 nan 8.370 nan 0.000 0.595 752 G N 0.492 109.240 108.800 -0.088 0.000 2.356 752 G HA2 0.149 4.109 3.960 0.000 0.000 0.296 752 G HA3 0.149 4.109 3.960 0.000 0.000 0.296 752 G C 1.094 175.808 174.900 -0.309 0.000 1.022 752 G CA 1.463 46.533 45.100 -0.049 0.000 0.961 752 G HN 1.792 nan 8.290 nan 0.000 0.510 753 G N -1.559 106.804 108.800 -0.729 0.000 2.179 753 G HA2 -0.088 3.872 3.960 0.000 0.000 0.257 753 G HA3 -0.088 3.872 3.960 0.000 0.000 0.257 753 G C 1.264 176.096 174.900 -0.113 0.000 1.010 753 G CA 1.615 46.312 45.100 -0.671 0.000 0.736 753 G HN 2.204 nan 8.290 nan 0.000 0.513 754 T N -3.157 111.384 114.554 -0.021 0.000 3.113 754 T HA 0.175 4.525 4.350 0.000 0.000 0.256 754 T C 1.780 176.553 174.700 0.122 0.000 1.131 754 T CA 1.371 63.524 62.100 0.088 0.000 1.074 754 T CB 0.240 69.180 68.868 0.121 0.000 0.944 754 T HN 0.523 nan 8.240 nan 0.000 0.516 755 Q N 0.744 120.567 119.800 0.038 0.000 1.942 755 Q HA 0.018 4.358 4.340 0.000 0.000 0.203 755 Q C 0.225 176.115 176.000 -0.183 0.000 0.987 755 Q CA 1.204 56.878 55.803 -0.214 0.000 0.844 755 Q CB -0.263 28.292 28.738 -0.305 0.000 0.911 755 Q HN 0.507 nan 8.270 nan 0.000 0.423 756 F N -1.239 118.506 119.950 -0.342 0.000 2.781 756 F HA -0.137 4.390 4.527 0.000 0.000 0.350 756 F C -0.395 175.047 175.800 -0.597 0.000 1.048 756 F CA 0.391 58.209 58.000 -0.303 0.000 1.134 756 F CB -0.953 38.004 39.000 -0.073 0.000 1.440 756 F HN 0.318 nan 8.300 nan 0.000 0.799 757 G N 0.349 108.313 108.800 -1.393 0.000 2.387 757 G HA2 0.379 4.339 3.960 0.000 0.000 0.294 757 G HA3 0.379 4.339 3.960 0.000 0.000 0.294 757 G C 0.094 174.447 174.900 -0.911 0.000 1.509 757 G CA -0.153 44.405 45.100 -0.903 0.000 0.806 757 G HN 0.243 nan 8.290 nan 0.000 0.546 758 S N 0.036 115.526 115.700 -0.349 0.000 2.447 758 S HA -0.007 4.463 4.470 0.000 0.000 0.233 758 S C 2.516 177.150 174.600 0.057 0.000 1.006 758 S CA 1.482 59.634 58.200 -0.080 0.000 0.957 758 S CB -0.052 63.191 63.200 0.072 0.000 0.773 758 S HN 1.287 nan 8.310 nan 0.000 0.507 759 A N 1.226 124.067 122.820 0.036 0.000 2.248 759 A HA 0.286 4.606 4.320 0.000 0.000 0.210 759 A C 2.159 179.723 177.584 -0.033 0.000 1.174 759 A CA 1.069 53.180 52.037 0.123 0.000 0.750 759 A CB -0.703 18.451 19.000 0.256 0.000 0.780 759 A HN 0.482 nan 8.150 nan 0.000 0.478 760 A N -1.346 121.376 122.820 -0.164 0.000 1.978 760 A HA 0.125 4.445 4.320 0.000 0.000 0.220 760 A C 0.717 178.036 177.584 -0.441 0.000 1.170 760 A CA 0.915 52.746 52.037 -0.343 0.000 0.636 760 A CB -0.288 18.480 19.000 -0.387 0.000 0.810 760 A HN 0.541 nan 8.150 nan 0.000 0.448 761 Y N -2.502 117.905 120.300 0.179 0.000 2.576 761 Y HA 0.559 5.109 4.550 0.000 0.000 0.346 761 Y C -0.331 175.798 175.900 0.381 0.000 1.018 761 Y CA -1.350 56.943 58.100 0.321 0.000 1.050 761 Y CB 1.225 39.966 38.460 0.469 0.000 1.280 761 Y HN -0.017 nan 8.280 nan 0.000 0.474 762 L N 3.730 125.243 121.223 0.484 0.000 2.375 762 L HA 0.481 4.821 4.340 0.000 0.000 0.271 762 L C -2.249 174.719 176.870 0.165 0.000 1.107 762 L CA -2.637 52.332 54.840 0.215 0.000 0.806 762 L CB 0.078 42.153 42.059 0.027 0.000 1.146 762 L HN 0.384 nan 8.230 nan 0.000 0.447 763 P HA 0.145 nan 4.420 nan 0.000 0.268 763 P C -0.062 176.971 177.300 -0.445 0.000 1.208 763 P CA -0.210 62.453 63.100 -0.729 0.000 0.777 763 P CB 0.434 30.964 31.700 -1.949 0.000 0.875 764 G N 0.892 109.520 108.800 -0.287 0.000 2.621 764 G HA2 0.155 4.115 3.960 0.000 0.000 0.271 764 G HA3 0.155 4.115 3.960 0.000 0.000 0.271 764 G C -0.590 174.205 174.900 -0.175 0.000 1.236 764 G CA -0.350 44.672 45.100 -0.131 0.000 0.958 764 G HN 0.356 nan 8.290 nan 0.000 0.512 765 D N -0.510 119.798 120.400 -0.153 0.000 2.341 765 D HA 0.504 5.144 4.640 0.000 0.000 0.245 765 D C 0.725 176.854 176.300 -0.284 0.000 1.106 765 D CA 0.393 54.258 54.000 -0.225 0.000 0.905 765 D CB 1.036 41.727 40.800 -0.182 0.000 1.202 765 D HN 0.610 nan 8.370 nan 0.000 0.426 766 R N -0.193 119.996 120.500 -0.519 0.000 2.690 766 R HA 0.777 5.117 4.340 0.000 0.000 0.269 766 R C -0.783 174.989 176.300 -0.881 0.000 1.037 766 R CA -1.117 54.594 56.100 -0.648 0.000 0.877 766 R CB 1.127 31.218 30.300 -0.349 0.000 1.255 766 R HN 0.503 nan 8.270 nan 0.000 0.467 767 G N 0.046 108.217 108.800 -1.048 0.000 2.682 767 G HA2 0.586 4.546 3.960 0.000 0.000 0.303 767 G HA3 0.586 4.546 3.960 0.000 0.000 0.303 767 G C -1.529 172.996 174.900 -0.625 0.000 1.341 767 G CA -0.346 44.336 45.100 -0.696 0.000 0.784 767 G HN 0.977 nan 8.290 nan 0.000 0.497 768 S N -2.050 113.616 115.700 -0.057 0.000 2.569 768 S HA 0.804 5.274 4.470 0.000 0.000 0.280 768 S C -1.576 173.227 174.600 0.338 0.000 1.111 768 S CA -0.829 57.479 58.200 0.179 0.000 0.887 768 S CB 2.014 65.249 63.200 0.058 0.000 1.095 768 S HN 1.559 nan 8.310 nan 0.000 0.476 769 V N 2.044 122.141 119.914 0.304 0.000 2.709 769 V HA 0.874 4.994 4.120 0.000 0.000 0.308 769 V C -0.625 175.551 176.094 0.136 0.000 1.062 769 V CA 0.348 62.762 62.300 0.189 0.000 0.901 769 V CB 2.049 33.947 31.823 0.124 0.000 1.003 769 V HN 1.418 nan 8.190 nan 0.000 0.425 770 T N 5.093 119.713 114.554 0.110 0.000 2.909 770 T HA 0.730 5.080 4.350 0.000 0.000 0.299 770 T C -1.314 173.395 174.700 0.015 0.000 1.073 770 T CA -0.652 61.501 62.100 0.088 0.000 0.999 770 T CB 1.637 70.588 68.868 0.137 0.000 1.098 770 T HN 0.537 nan 8.240 nan 0.000 0.477 771 L N 2.832 124.029 121.223 -0.043 0.000 2.377 771 L HA 0.667 5.007 4.340 0.000 0.000 0.270 771 L C 0.625 177.351 176.870 -0.241 0.000 0.991 771 L CA -0.873 53.903 54.840 -0.107 0.000 0.851 771 L CB 1.548 43.589 42.059 -0.030 0.000 1.218 771 L HN 1.025 nan 8.230 nan 0.000 0.420 772 G N 1.186 109.636 108.800 -0.584 0.000 2.434 772 G HA2 0.712 4.672 3.960 0.000 0.000 0.330 772 G HA3 0.712 4.672 3.960 0.000 0.000 0.330 772 G C -0.577 174.264 174.900 -0.099 0.000 1.155 772 G CA -0.641 44.056 45.100 -0.672 0.000 0.917 772 G HN 0.602 nan 8.290 nan 0.000 0.493 773 G N 0.487 109.416 108.800 0.216 0.000 2.704 773 G HA2 0.540 4.500 3.960 0.000 0.000 0.280 773 G HA3 0.540 4.500 3.960 0.000 0.000 0.280 773 G C -0.342 174.752 174.900 0.324 0.000 1.499 773 G CA -0.737 44.547 45.100 0.307 0.000 1.146 773 G HN 0.602 nan 8.290 nan 0.000 0.558 774 R N 0.531 121.229 120.500 0.330 0.000 2.549 774 R HA 0.859 5.199 4.340 0.000 0.000 0.267 774 R C 0.009 176.455 176.300 0.243 0.000 1.045 774 R CA -0.204 56.043 56.100 0.245 0.000 1.115 774 R CB 1.784 32.181 30.300 0.162 0.000 1.121 774 R HN 0.720 nan 8.270 nan 0.000 0.543 775 A N 0.286 123.264 122.820 0.263 0.000 2.564 775 A HA 0.476 4.796 4.320 0.000 0.000 0.291 775 A C -1.091 176.776 177.584 0.472 0.000 1.102 775 A CA -0.877 51.385 52.037 0.375 0.000 0.660 775 A CB 0.378 19.720 19.000 0.570 0.000 1.283 775 A HN 0.763 nan 8.150 nan 0.000 0.430 776 F N 0.458 120.460 119.950 0.086 0.000 2.943 776 F HA -0.210 4.317 4.527 0.000 0.000 0.258 776 F C 0.302 176.129 175.800 0.045 0.000 0.995 776 F CA 1.395 59.446 58.000 0.084 0.000 0.896 776 F CB -1.233 37.855 39.000 0.147 0.000 0.821 776 F HN 0.710 nan 8.300 nan 0.000 0.828 777 D N -0.026 120.461 120.400 0.145 0.000 2.800 777 D HA -0.243 4.397 4.640 0.000 0.000 0.232 777 D C 0.700 177.037 176.300 0.062 0.000 1.137 777 D CA 1.359 55.409 54.000 0.082 0.000 0.718 777 D CB -0.760 40.082 40.800 0.071 0.000 1.084 777 D HN 0.741 nan 8.370 nan 0.000 0.432 778 R N -1.763 118.786 120.500 0.082 0.000 3.516 778 R HA -0.290 4.050 4.340 0.000 0.000 0.271 778 R C 1.172 177.462 176.300 -0.017 0.000 1.098 778 R CA 1.478 57.602 56.100 0.040 0.000 0.732 778 R CB -0.924 29.376 30.300 0.001 0.000 1.152 778 R HN 0.390 nan 8.270 nan 0.000 0.455 779 K N -0.180 120.201 120.400 -0.032 0.000 2.308 779 K HA 0.077 4.397 4.320 0.000 0.000 0.197 779 K C 0.582 176.981 176.600 -0.335 0.000 1.049 779 K CA 0.450 56.587 56.287 -0.251 0.000 0.991 779 K CB 0.339 32.619 32.500 -0.367 0.000 0.836 779 K HN 0.082 nan 8.250 nan 0.000 0.500 780 L N 1.672 122.844 121.223 -0.086 0.000 2.298 780 L HA 0.358 4.698 4.340 0.000 0.000 0.284 780 L C -1.568 175.368 176.870 0.109 0.000 1.013 780 L CA -0.442 54.414 54.840 0.028 0.000 0.824 780 L CB 1.406 43.494 42.059 0.049 0.000 1.221 780 L HN -0.171 nan 8.230 nan 0.000 0.418 781 D N 4.353 124.830 120.400 0.128 0.000 2.391 781 D HA 0.816 5.456 4.640 0.000 0.000 0.245 781 D C -1.205 175.266 176.300 0.285 0.000 1.069 781 D CA 0.059 54.188 54.000 0.214 0.000 0.831 781 D CB 2.058 42.967 40.800 0.183 0.000 1.204 781 D HN 0.832 nan 8.370 nan 0.000 0.503 782 A N 1.685 124.685 122.820 0.300 0.000 2.609 782 A HA 0.958 5.278 4.320 0.000 0.000 0.291 782 A C -0.282 177.285 177.584 -0.028 0.000 1.096 782 A CA -0.069 52.077 52.037 0.181 0.000 0.684 782 A CB 1.770 20.818 19.000 0.080 0.000 1.282 782 A HN 0.834 nan 8.150 nan 0.000 0.412 783 G N -1.564 106.907 108.800 -0.549 0.000 2.320 783 G HA2 0.586 4.546 3.960 0.000 0.000 0.297 783 G HA3 0.586 4.546 3.960 0.000 0.000 0.297 783 G C -1.802 172.529 174.900 -0.949 0.000 1.344 783 G CA 0.196 44.917 45.100 -0.631 0.000 0.851 783 G HN 1.950 nan 8.290 nan 0.000 0.567 784 V N -0.396 119.251 119.914 -0.445 0.000 2.628 784 V HA 0.876 4.996 4.120 0.000 0.000 0.306 784 V C -0.169 175.917 176.094 -0.013 0.000 1.045 784 V CA -0.180 61.995 62.300 -0.209 0.000 0.905 784 V CB 2.023 33.818 31.823 -0.048 0.000 0.997 784 V HN 1.037 nan 8.190 nan 0.000 0.436 785 T N 5.355 119.974 114.554 0.109 0.000 2.829 785 T HA 0.593 4.943 4.350 0.000 0.000 0.280 785 T C -0.816 173.962 174.700 0.130 0.000 0.999 785 T CA -0.300 61.897 62.100 0.161 0.000 0.983 785 T CB 1.505 70.501 68.868 0.213 0.000 0.968 785 T HN 0.546 nan 8.240 nan 0.000 0.446 786 V N 4.486 124.464 119.914 0.107 0.000 2.326 786 V HA 0.424 4.544 4.120 0.000 0.000 0.281 786 V C 0.087 176.244 176.094 0.105 0.000 1.015 786 V CA -0.963 61.344 62.300 0.012 0.000 0.823 786 V CB 0.921 32.721 31.823 -0.038 0.000 1.009 786 V HN 0.703 nan 8.190 nan 0.000 0.436 787 R N 4.941 125.457 120.500 0.027 0.000 2.265 787 R HA 0.700 5.040 4.340 0.000 0.000 0.314 787 R C -0.573 175.763 176.300 0.059 0.000 1.053 787 R CA -0.056 56.069 56.100 0.041 0.000 0.931 787 R CB 0.831 31.141 30.300 0.017 0.000 1.024 787 R HN 0.739 nan 8.270 nan 0.000 0.457 788 F N -0.369 119.463 119.950 -0.197 0.000 2.643 788 F HA 0.910 5.437 4.527 0.000 0.000 0.314 788 F C -1.306 174.220 175.800 -0.456 0.000 1.096 788 F CA -1.398 56.387 58.000 -0.358 0.000 0.953 788 F CB 1.735 40.606 39.000 -0.215 0.000 1.345 788 F HN 0.497 nan 8.300 nan 0.000 0.468 789 A N 1.612 124.117 122.820 -0.525 0.000 2.547 789 A HA 0.722 5.042 4.320 0.000 0.000 0.297 789 A C -2.814 174.714 177.584 -0.094 0.000 1.056 789 A CA -1.494 50.301 52.037 -0.402 0.000 0.688 789 A CB 1.452 20.113 19.000 -0.564 0.000 1.282 789 A HN 0.505 nan 8.150 nan 0.000 0.400 790 P HA 0.251 nan 4.420 nan 0.000 0.217 790 P C 0.747 178.122 177.300 0.124 0.000 1.154 790 P CA 1.599 64.778 63.100 0.131 0.000 0.841 790 P CB 0.247 32.051 31.700 0.172 0.000 0.788 791 G N -1.569 107.320 108.800 0.148 0.000 2.535 791 G HA2 0.183 4.143 3.960 0.000 0.000 0.662 791 G HA3 0.183 4.143 3.960 0.000 0.000 0.662 791 G C -2.263 172.823 174.900 0.310 0.000 1.417 791 G CA -0.869 44.371 45.100 0.233 0.000 0.866 791 G HN 0.068 nan 8.290 nan 0.000 0.647 792 Y N 1.637 122.066 120.300 0.214 0.000 2.361 792 Y HA 0.748 5.298 4.550 0.000 0.000 0.328 792 Y C -0.620 175.372 175.900 0.154 0.000 1.044 792 Y CA -1.141 57.079 58.100 0.200 0.000 1.085 792 Y CB 1.840 40.466 38.460 0.277 0.000 1.194 792 Y HN 0.756 nan 8.280 nan 0.000 0.438 793 Q N 3.678 123.442 119.800 -0.060 0.000 2.315 793 Q HA 0.301 4.641 4.340 0.000 0.000 0.273 793 Q C -1.956 173.867 176.000 -0.296 0.000 1.053 793 Q CA -0.964 54.662 55.803 -0.295 0.000 0.817 793 Q CB 2.471 31.137 28.738 -0.119 0.000 1.326 793 Q HN 0.567 nan 8.270 nan 0.000 0.423 794 D N 0.260 120.420 120.400 -0.401 0.000 2.427 794 D HA 0.259 4.900 4.640 0.000 0.000 0.226 794 D C -0.140 176.096 176.300 -0.108 0.000 1.076 794 D CA 0.018 53.909 54.000 -0.182 0.000 0.849 794 D CB 1.332 42.049 40.800 -0.139 0.000 1.052 794 D HN 0.387 nan 8.370 nan 0.000 0.515 795 S N 0.712 116.383 115.700 -0.049 0.000 2.528 795 S HA -0.083 4.388 4.470 0.000 0.000 0.219 795 S C 1.600 176.196 174.600 -0.005 0.000 0.985 795 S CA 0.192 58.369 58.200 -0.038 0.000 0.914 795 S CB 0.111 63.293 63.200 -0.029 0.000 0.776 795 S HN 0.545 nan 8.310 nan 0.000 0.526 796 S N 1.555 117.273 115.700 0.030 0.000 2.754 796 S HA 0.205 4.675 4.470 0.000 0.000 0.223 796 S C 0.328 174.979 174.600 0.086 0.000 0.951 796 S CA -0.406 57.828 58.200 0.056 0.000 0.954 796 S CB -0.767 62.480 63.200 0.078 0.000 0.780 796 S HN 0.255 nan 8.310 nan 0.000 0.509 797 V N -3.010 116.947 119.914 0.071 0.000 2.925 797 V HA 0.706 4.826 4.120 0.000 0.000 0.311 797 V C -3.214 172.819 176.094 -0.103 0.000 1.104 797 V CA -2.890 59.463 62.300 0.089 0.000 0.954 797 V CB 0.980 33.026 31.823 0.371 0.000 1.022 797 V HN -0.039 nan 8.190 nan 0.000 0.427 798 P HA 0.233 nan 4.420 nan 0.000 0.265 798 P C 0.686 177.803 177.300 -0.305 0.000 1.193 798 P CA 0.178 63.065 63.100 -0.355 0.000 0.765 798 P CB 0.712 32.094 31.700 -0.530 0.000 0.823 799 S N 1.506 117.106 115.700 -0.166 0.000 2.723 799 S HA -0.090 4.380 4.470 0.000 0.000 0.231 799 S C 1.310 175.849 174.600 -0.101 0.000 0.967 799 S CA 0.431 58.565 58.200 -0.110 0.000 0.958 799 S CB -0.856 62.297 63.200 -0.079 0.000 0.778 799 S HN 0.626 nan 8.310 nan 0.000 0.537 800 N N -0.061 118.549 118.700 -0.149 0.000 2.325 800 N HA -0.050 4.690 4.740 0.000 0.000 0.182 800 N C -0.210 175.320 175.510 0.033 0.000 1.088 800 N CA -0.041 52.959 53.050 -0.082 0.000 0.879 800 N CB -0.539 37.891 38.487 -0.096 0.000 0.983 800 N HN 0.199 nan 8.380 nan 0.000 0.471 801 Y N 1.673 121.993 120.300 0.034 0.000 2.683 801 Y HA 0.132 4.682 4.550 0.000 0.000 0.340 801 Y C -1.051 174.881 175.900 0.054 0.000 1.245 801 Y CA -1.587 56.558 58.100 0.076 0.000 1.485 801 Y CB -0.079 38.441 38.460 0.100 0.000 1.328 801 Y HN 0.058 nan 8.280 nan 0.000 0.603 802 P HA -0.034 nan 4.420 nan 0.000 0.224 802 P C -0.785 176.416 177.300 -0.166 0.000 1.157 802 P CA 1.192 64.349 63.100 0.096 0.000 0.799 802 P CB 0.332 32.235 31.700 0.338 0.000 0.809 803 Y N 0.007 120.341 120.300 0.057 0.000 2.402 803 Y HA 0.369 4.919 4.550 0.000 0.000 0.332 803 Y C 0.437 176.447 175.900 0.184 0.000 0.960 803 Y CA -0.706 57.419 58.100 0.042 0.000 1.228 803 Y CB 0.743 39.197 38.460 -0.010 0.000 1.120 803 Y HN -0.253 nan 8.280 nan 0.000 0.491 804 L N 2.428 123.699 121.223 0.080 0.000 2.332 804 L HA 0.831 5.171 4.340 0.000 0.000 0.269 804 L C 0.010 176.477 176.870 -0.672 0.000 1.016 804 L CA -1.376 53.390 54.840 -0.123 0.000 0.809 804 L CB 1.661 43.570 42.059 -0.251 0.000 1.280 804 L HN 0.564 nan 8.230 nan 0.000 0.447 805 A N 0.700 122.781 122.820 -1.232 0.000 2.690 805 A HA 0.390 4.710 4.320 0.000 0.000 0.342 805 A C -0.752 176.033 177.584 -1.332 0.000 1.410 805 A CA -0.136 50.863 52.037 -1.730 0.000 0.958 805 A CB -0.260 17.558 19.000 -1.970 0.000 1.153 805 A HN 0.618 nan 8.150 nan 0.000 0.497 806 D N 2.451 121.915 120.400 -1.559 0.000 2.502 806 D HA 0.274 4.914 4.640 0.000 0.000 0.301 806 D C -1.215 174.647 176.300 -0.731 0.000 1.202 806 D CA -0.052 53.432 54.000 -0.859 0.000 0.878 806 D CB 0.084 40.547 40.800 -0.563 0.000 1.062 806 D HN 0.510 nan 8.370 nan 0.000 0.499 807 W N 3.881 125.167 121.300 -0.023 0.000 2.492 807 W HA 0.307 4.967 4.660 0.000 0.000 0.287 807 W C -2.613 174.006 176.519 0.167 0.000 1.008 807 W CA -1.807 55.600 57.345 0.104 0.000 1.557 807 W CB 0.972 30.528 29.460 0.160 0.000 1.419 807 W HN 0.132 nan 8.180 nan 0.000 0.408 808 P HA 0.082 nan 4.420 nan 0.000 0.274 808 P C 0.264 177.771 177.300 0.346 0.000 1.256 808 P CA -0.221 63.041 63.100 0.269 0.000 0.795 808 P CB 0.933 32.760 31.700 0.212 0.000 1.038 809 K N 1.266 121.815 120.400 0.250 0.000 2.440 809 K HA 0.121 4.441 4.320 0.000 0.000 0.270 809 K C -0.836 175.947 176.600 0.305 0.000 0.980 809 K CA 0.263 56.670 56.287 0.201 0.000 0.953 809 K CB -0.257 32.325 32.500 0.137 0.000 0.925 809 K HN 0.622 nan 8.250 nan 0.000 0.497 810 Y N -2.699 117.687 120.300 0.144 0.000 2.592 810 Y HA 0.422 4.972 4.550 0.000 0.000 0.334 810 Y C -1.652 174.275 175.900 0.045 0.000 1.136 810 Y CA -1.074 57.084 58.100 0.096 0.000 1.042 810 Y CB 1.608 40.131 38.460 0.106 0.000 1.325 810 Y HN 0.551 nan 8.280 nan 0.000 0.457 811 T N 4.567 119.187 114.554 0.109 0.000 2.949 811 T HA 0.586 4.936 4.350 0.000 0.000 0.300 811 T C -0.975 173.600 174.700 -0.209 0.000 0.988 811 T CA -0.559 61.497 62.100 -0.074 0.000 0.993 811 T CB 0.777 69.571 68.868 -0.122 0.000 0.984 811 T HN 0.666 nan 8.240 nan 0.000 0.442 812 L N 2.994 124.048 121.223 -0.281 0.000 2.334 812 L HA 0.696 5.036 4.340 0.000 0.000 0.276 812 L C -1.101 175.491 176.870 -0.462 0.000 1.014 812 L CA -1.042 53.626 54.840 -0.287 0.000 0.815 812 L CB 1.515 43.453 42.059 -0.202 0.000 1.268 812 L HN 0.546 nan 8.230 nan 0.000 0.428 813 F N 0.456 120.423 119.950 0.028 0.000 2.427 813 F HA 0.356 4.883 4.527 0.000 0.000 0.348 813 F C -0.464 175.351 175.800 0.026 0.000 1.125 813 F CA -0.824 57.191 58.000 0.026 0.000 0.989 813 F CB 1.531 40.539 39.000 0.014 0.000 1.165 813 F HN 0.324 nan 8.300 nan 0.000 0.442 814 D N 4.196 124.713 120.400 0.195 0.000 2.408 814 D HA 0.485 5.125 4.640 0.000 0.000 0.243 814 D C -0.446 175.925 176.300 0.118 0.000 1.075 814 D CA -0.220 53.867 54.000 0.145 0.000 0.832 814 D CB 1.739 42.619 40.800 0.134 0.000 1.162 814 D HN 0.285 nan 8.370 nan 0.000 0.515 815 L N 2.527 123.801 121.223 0.085 0.000 2.360 815 L HA 0.584 4.924 4.340 0.000 0.000 0.271 815 L C -0.525 176.395 176.870 0.085 0.000 1.057 815 L CA -1.060 53.780 54.840 -0.001 0.000 0.803 815 L CB 0.664 42.721 42.059 -0.004 0.000 1.207 815 L HN 0.498 nan 8.230 nan 0.000 0.445 816 Y N 0.518 120.855 120.300 0.061 0.000 2.597 816 Y HA 0.884 5.434 4.550 0.000 0.000 0.340 816 Y C -1.043 174.898 175.900 0.067 0.000 1.097 816 Y CA -1.126 57.013 58.100 0.064 0.000 1.037 816 Y CB 1.869 40.369 38.460 0.066 0.000 1.305 816 Y HN 0.618 nan 8.280 nan 0.000 0.463 817 A N 1.379 124.416 122.820 0.361 0.000 2.594 817 A HA 0.797 5.117 4.320 0.000 0.000 0.296 817 A C -1.445 176.269 177.584 0.216 0.000 1.061 817 A CA -0.302 51.895 52.037 0.266 0.000 0.689 817 A CB 1.314 20.400 19.000 0.143 0.000 1.280 817 A HN 1.530 nan 8.150 nan 0.000 0.406 818 S N 0.422 116.236 115.700 0.190 0.000 2.668 818 S HA 0.624 5.094 4.470 0.000 0.000 0.277 818 S C -1.271 173.413 174.600 0.141 0.000 1.170 818 S CA -0.478 57.808 58.200 0.143 0.000 0.994 818 S CB 0.892 64.147 63.200 0.093 0.000 1.051 818 S HN 1.267 nan 8.310 nan 0.000 0.484 819 Y N 2.144 122.463 120.300 0.030 0.000 2.377 819 Y HA 0.507 5.057 4.550 0.000 0.000 0.339 819 Y C 0.059 175.972 175.900 0.022 0.000 1.011 819 Y CA -0.673 57.428 58.100 0.002 0.000 1.093 819 Y CB 1.475 39.915 38.460 -0.034 0.000 1.201 819 Y HN 0.746 nan 8.280 nan 0.000 0.455 820 K N 6.651 126.716 120.400 -0.558 0.000 2.187 820 K HA 0.072 4.392 4.320 0.000 0.000 0.242 820 K C 0.751 177.251 176.600 -0.168 0.000 1.179 820 K CA -0.147 55.967 56.287 -0.288 0.000 1.097 820 K CB 0.195 32.534 32.500 -0.269 0.000 1.634 820 K HN 0.721 nan 8.250 nan 0.000 0.335 821 L N 1.290 122.657 121.223 0.239 0.000 2.137 821 L HA -0.204 4.136 4.340 0.000 0.000 0.213 821 L C 1.180 178.181 176.870 0.218 0.000 1.085 821 L CA 1.806 56.881 54.840 0.392 0.000 0.760 821 L CB -0.284 41.946 42.059 0.284 0.000 0.893 821 L HN 0.656 nan 8.230 nan 0.000 0.434 822 T N -6.649 107.984 114.554 0.133 0.000 2.681 822 T HA 0.185 4.535 4.350 0.000 0.000 0.296 822 T C 0.525 175.251 174.700 0.044 0.000 1.157 822 T CA -0.253 61.905 62.100 0.096 0.000 1.025 822 T CB 0.485 69.428 68.868 0.127 0.000 1.441 822 T HN -0.040 nan 8.240 nan 0.000 0.504 823 D N 0.371 120.790 120.400 0.031 0.000 2.310 823 D HA 0.048 4.688 4.640 0.000 0.000 0.212 823 D C 1.583 177.867 176.300 -0.027 0.000 0.965 823 D CA 1.158 55.156 54.000 -0.003 0.000 0.879 823 D CB 0.136 40.936 40.800 0.001 0.000 0.921 823 D HN 0.485 nan 8.370 nan 0.000 0.510 824 S N -0.626 115.062 115.700 -0.020 0.000 2.599 824 S HA 0.175 4.645 4.470 0.000 0.000 0.236 824 S C 0.950 175.534 174.600 -0.026 0.000 1.077 824 S CA -0.374 57.736 58.200 -0.150 0.000 0.906 824 S CB 1.213 64.181 63.200 -0.386 0.000 0.804 824 S HN 0.067 nan 8.310 nan 0.000 0.497 825 L N 3.038 124.357 121.223 0.160 0.000 2.305 825 L HA 0.419 4.759 4.340 0.000 0.000 0.281 825 L C -0.638 176.326 176.870 0.157 0.000 1.085 825 L CA 0.174 55.163 54.840 0.247 0.000 0.813 825 L CB 1.240 43.460 42.059 0.267 0.000 1.157 825 L HN 0.125 nan 8.230 nan 0.000 0.436 826 T N 4.062 118.713 114.554 0.163 0.000 2.921 826 T HA 0.526 4.877 4.350 0.000 0.000 0.297 826 T C -0.445 174.350 174.700 0.158 0.000 1.013 826 T CA -0.621 61.556 62.100 0.129 0.000 0.990 826 T CB 1.680 70.598 68.868 0.082 0.000 1.023 826 T HN 0.259 nan 8.240 nan 0.000 0.447 827 L N 2.656 123.980 121.223 0.168 0.000 2.331 827 L HA 0.723 5.063 4.340 0.000 0.000 0.275 827 L C 0.150 177.108 176.870 0.147 0.000 1.022 827 L CA -0.928 54.007 54.840 0.158 0.000 0.812 827 L CB 1.856 44.007 42.059 0.153 0.000 1.257 827 L HN 0.448 nan 8.230 nan 0.000 0.435 828 R N 0.543 121.126 120.500 0.138 0.000 2.673 828 R HA 0.728 5.068 4.340 0.000 0.000 0.281 828 R C -0.856 175.519 176.300 0.125 0.000 0.991 828 R CA -0.597 55.584 56.100 0.135 0.000 0.896 828 R CB 2.405 32.789 30.300 0.140 0.000 1.201 828 R HN 0.778 nan 8.270 nan 0.000 0.457 829 G N 0.733 109.610 108.800 0.127 0.000 2.739 829 G HA2 0.471 4.431 3.960 0.000 0.000 0.292 829 G HA3 0.471 4.431 3.960 0.000 0.000 0.292 829 G C -1.338 173.640 174.900 0.129 0.000 1.444 829 G CA -0.449 44.718 45.100 0.112 0.000 1.144 829 G HN 0.544 nan 8.290 nan 0.000 0.550 830 S N -0.412 115.359 115.700 0.119 0.000 2.595 830 S HA 0.822 5.292 4.470 0.000 0.000 0.281 830 S C -1.202 173.458 174.600 0.100 0.000 1.117 830 S CA -0.920 57.359 58.200 0.131 0.000 0.873 830 S CB 2.361 65.651 63.200 0.149 0.000 1.108 830 S HN 0.880 nan 8.310 nan 0.000 0.477 831 V N 1.949 121.921 119.914 0.097 0.000 2.409 831 V HA 0.400 4.520 4.120 0.000 0.000 0.290 831 V C 1.054 177.204 176.094 0.093 0.000 1.017 831 V CA -0.475 61.875 62.300 0.084 0.000 0.841 831 V CB 1.217 33.081 31.823 0.069 0.000 1.003 831 V HN 1.124 nan 8.190 nan 0.000 0.426 832 E N 3.719 123.969 120.200 0.084 0.000 2.072 832 E HA -0.102 4.248 4.350 0.000 0.000 0.190 832 E C 0.582 177.232 176.600 0.082 0.000 0.982 832 E CA 0.848 57.295 56.400 0.079 0.000 0.803 832 E CB 0.289 30.023 29.700 0.057 0.000 0.755 832 E HN 0.625 nan 8.360 nan 0.000 0.453 833 N N 0.678 119.433 118.700 0.091 0.000 2.762 833 N HA 0.076 4.816 4.740 0.000 0.000 0.252 833 N C 0.474 176.056 175.510 0.119 0.000 1.269 833 N CA -0.085 53.025 53.050 0.101 0.000 0.799 833 N CB 0.516 39.069 38.487 0.109 0.000 1.173 833 N HN 0.140 nan 8.380 nan 0.000 0.516 834 L N 0.890 122.198 121.223 0.142 0.000 1.971 834 L HA -0.196 4.144 4.340 0.000 0.000 0.215 834 L C 1.694 178.635 176.870 0.118 0.000 1.072 834 L CA 2.046 56.958 54.840 0.120 0.000 0.758 834 L CB -0.324 41.805 42.059 0.117 0.000 0.889 834 L HN 0.552 nan 8.230 nan 0.000 0.433 835 T N -3.349 111.310 114.554 0.174 0.000 3.113 835 T HA -0.088 4.262 4.350 0.000 0.000 0.263 835 T C 1.025 175.804 174.700 0.132 0.000 1.143 835 T CA 0.649 62.844 62.100 0.157 0.000 1.090 835 T CB -0.412 68.600 68.868 0.241 0.000 0.922 835 T HN 0.468 nan 8.240 nan 0.000 0.521 836 N N 0.947 119.725 118.700 0.131 0.000 2.754 836 N HA -0.186 4.554 4.740 0.000 0.000 0.248 836 N C -0.273 175.328 175.510 0.153 0.000 1.093 836 N CA 0.290 53.420 53.050 0.132 0.000 0.699 836 N CB -1.465 37.083 38.487 0.103 0.000 1.016 836 N HN 0.640 nan 8.380 nan 0.000 0.552 837 R N 0.166 120.763 120.500 0.162 0.000 2.390 837 R HA 0.552 4.893 4.340 0.000 0.000 0.291 837 R C -0.011 176.444 176.300 0.259 0.000 1.070 837 R CA 0.239 56.448 56.100 0.181 0.000 1.014 837 R CB 0.521 30.915 30.300 0.156 0.000 1.007 837 R HN 0.318 nan 8.270 nan 0.000 0.466 838 A N 4.455 127.420 122.820 0.241 0.000 2.362 838 A HA 0.370 4.690 4.320 0.000 0.000 0.276 838 A C -1.129 176.632 177.584 0.294 0.000 1.153 838 A CA -0.182 52.005 52.037 0.250 0.000 0.813 838 A CB 0.150 19.256 19.000 0.177 0.000 1.081 838 A HN 0.759 nan 8.150 nan 0.000 0.507 839 Y N -0.447 119.865 120.300 0.019 0.000 2.689 839 Y HA 0.666 5.216 4.550 0.000 0.000 0.333 839 Y C -1.510 174.343 175.900 -0.078 0.000 1.208 839 Y CA -1.677 56.380 58.100 -0.072 0.000 1.055 839 Y CB 0.730 39.005 38.460 -0.308 0.000 1.304 839 Y HN 0.434 nan 8.280 nan 0.000 0.455 840 V N 3.095 122.862 119.914 -0.245 0.000 2.531 840 V HA 0.508 4.628 4.120 0.000 0.000 0.301 840 V C -0.157 175.896 176.094 -0.069 0.000 1.034 840 V CA -0.829 61.310 62.300 -0.268 0.000 0.865 840 V CB 1.493 33.338 31.823 0.037 0.000 0.995 840 V HN 1.021 nan 8.190 nan 0.000 0.424 841 V N 2.410 122.257 119.914 -0.112 0.000 2.720 841 V HA 0.176 4.296 4.120 0.000 0.000 0.307 841 V C 0.896 177.068 176.094 0.130 0.000 1.071 841 V CA 0.171 62.539 62.300 0.114 0.000 1.199 841 V CB 0.640 32.532 31.823 0.114 0.000 0.900 841 V HN 0.909 nan 8.190 nan 0.000 0.494 842 S N 3.882 119.724 115.700 0.237 0.000 2.593 842 S HA 0.105 4.575 4.470 0.000 0.000 0.300 842 S C 0.187 174.544 174.600 -0.405 0.000 1.267 842 S CA 1.098 59.226 58.200 -0.119 0.000 1.065 842 S CB -1.101 62.143 63.200 0.073 0.000 0.807 842 S HN 1.477 nan 8.310 nan 0.000 0.499 843 Y N 0.573 119.884 120.300 -1.649 0.000 4.936 843 Y HA -0.236 4.314 4.550 0.000 0.000 0.266 843 Y C 0.751 176.505 175.900 -0.243 0.000 0.909 843 Y CA 0.698 58.112 58.100 -1.143 0.000 1.828 843 Y CB -1.520 36.563 38.460 -0.628 0.000 1.283 843 Y HN 0.881 nan 8.280 nan 0.000 0.511 844 G N 2.243 111.035 108.800 -0.014 0.000 2.353 844 G HA2 0.117 4.077 3.960 0.000 0.000 0.239 844 G HA3 0.117 4.077 3.960 0.000 0.000 0.239 844 G C -0.123 174.910 174.900 0.222 0.000 1.295 844 G CA 0.241 45.419 45.100 0.130 0.000 0.884 844 G HN 0.521 nan 8.290 nan 0.000 0.537 845 E N 1.241 121.476 120.200 0.058 0.000 2.606 845 E HA -0.087 4.263 4.350 0.000 0.000 0.248 845 E C 1.638 178.235 176.600 -0.004 0.000 1.005 845 E CA 0.618 57.022 56.400 0.008 0.000 0.946 845 E CB 0.319 29.992 29.700 -0.044 0.000 0.928 845 E HN 0.560 nan 8.360 nan 0.000 0.494 846 T N 2.408 116.925 114.554 -0.061 0.000 2.951 846 T HA -0.155 4.195 4.350 0.000 0.000 0.268 846 T C 1.682 176.271 174.700 -0.185 0.000 1.073 846 T CA 0.158 62.167 62.100 -0.153 0.000 1.134 846 T CB 0.032 68.730 68.868 -0.284 0.000 0.884 846 T HN 0.414 nan 8.240 nan 0.000 0.479 847 L N 1.176 122.237 121.223 -0.269 0.000 2.261 847 L HA 0.278 4.618 4.340 0.000 0.000 0.216 847 L C 2.509 179.299 176.870 -0.134 0.000 1.114 847 L CA 1.273 55.944 54.840 -0.281 0.000 0.777 847 L CB -0.935 40.868 42.059 -0.426 0.000 0.910 847 L HN 0.503 nan 8.230 nan 0.000 0.440 848 A N -2.255 120.542 122.820 -0.038 0.000 2.211 848 A HA 0.148 4.468 4.320 0.000 0.000 0.208 848 A C 0.971 178.712 177.584 0.262 0.000 1.250 848 A CA 0.320 52.447 52.037 0.149 0.000 0.935 848 A CB -0.210 18.822 19.000 0.052 0.000 0.982 848 A HN 0.394 nan 8.150 nan 0.000 0.490 849 N N 1.479 120.241 118.700 0.103 0.000 2.678 849 N HA -0.145 4.595 4.740 0.000 0.000 0.268 849 N C -0.094 175.537 175.510 0.202 0.000 1.010 849 N CA 1.052 54.169 53.050 0.112 0.000 0.784 849 N CB -0.995 37.528 38.487 0.059 0.000 0.905 849 N HN 0.586 nan 8.380 nan 0.000 0.552 850 T N -0.525 114.057 114.554 0.047 0.000 2.727 850 T HA 0.462 4.812 4.350 0.000 0.000 0.298 850 T C 0.658 175.304 174.700 -0.090 0.000 0.942 850 T CA -1.072 60.978 62.100 -0.083 0.000 0.997 850 T CB 0.748 69.482 68.868 -0.222 0.000 0.917 850 T HN 0.164 nan 8.240 nan 0.000 0.487 851 L N 3.443 124.636 121.223 -0.050 0.000 2.516 851 L HA 0.400 4.740 4.340 0.000 0.000 0.288 851 L C 1.377 178.155 176.870 -0.153 0.000 1.246 851 L CA 0.898 55.663 54.840 -0.125 0.000 0.844 851 L CB -0.160 41.902 42.059 0.004 0.000 1.106 851 L HN 0.956 nan 8.230 nan 0.000 0.509 852 G N 1.482 109.968 108.800 -0.524 0.000 2.528 852 G HA2 0.409 4.369 3.960 0.000 0.000 0.289 852 G HA3 0.409 4.369 3.960 0.000 0.000 0.289 852 G C -0.208 174.712 174.900 0.034 0.000 1.192 852 G CA -0.789 44.063 45.100 -0.412 0.000 0.921 852 G HN 0.550 nan 8.290 nan 0.000 0.512 853 R N -0.636 119.776 120.500 -0.147 0.000 2.585 853 R HA 0.273 4.613 4.340 0.000 0.000 0.275 853 R C 1.181 177.582 176.300 0.168 0.000 1.018 853 R CA 0.769 56.791 56.100 -0.130 0.000 1.072 853 R CB 0.419 30.519 30.300 -0.333 0.000 0.953 853 R HN 0.594 nan 8.270 nan 0.000 0.419 854 G N 1.431 110.374 108.800 0.238 0.000 2.535 854 G HA2 0.070 4.030 3.960 0.000 0.000 0.282 854 G HA3 0.070 4.030 3.960 0.000 0.000 0.282 854 G C -0.665 174.331 174.900 0.161 0.000 1.350 854 G CA -0.692 44.540 45.100 0.219 0.000 1.039 854 G HN 0.616 nan 8.290 nan 0.000 0.509 855 R N -0.155 120.426 120.500 0.136 0.000 2.955 855 R HA -0.016 4.324 4.340 0.000 0.000 0.334 855 R C -0.678 175.682 176.300 0.101 0.000 0.778 855 R CA 0.697 56.860 56.100 0.105 0.000 1.110 855 R CB -0.759 29.590 30.300 0.083 0.000 0.889 855 R HN 0.305 nan 8.270 nan 0.000 0.396 856 T N 4.255 118.863 114.554 0.089 0.000 2.833 856 T HA 0.239 4.589 4.350 0.000 0.000 0.297 856 T C -0.515 174.228 174.700 0.072 0.000 1.015 856 T CA -0.608 61.540 62.100 0.080 0.000 0.963 856 T CB 1.660 70.564 68.868 0.061 0.000 0.955 856 T HN 0.219 nan 8.240 nan 0.000 0.449 857 V N 5.527 125.484 119.914 0.071 0.000 2.432 857 V HA 0.512 4.632 4.120 0.000 0.000 0.275 857 V C -0.090 176.045 176.094 0.068 0.000 1.043 857 V CA -0.385 61.955 62.300 0.067 0.000 0.925 857 V CB 1.055 32.914 31.823 0.060 0.000 0.985 857 V HN 0.950 nan 8.190 nan 0.000 0.466 858 Q N 3.694 123.537 119.800 0.072 0.000 2.353 858 Q HA 0.829 5.169 4.340 0.000 0.000 0.275 858 Q C -0.591 175.460 176.000 0.084 0.000 1.029 858 Q CA -0.942 54.906 55.803 0.075 0.000 0.848 858 Q CB 2.599 31.379 28.738 0.069 0.000 1.390 858 Q HN 0.750 nan 8.270 nan 0.000 0.401 859 G N -0.348 108.503 108.800 0.085 0.000 2.684 859 G HA2 0.861 4.821 3.960 0.000 0.000 0.290 859 G HA3 0.861 4.821 3.960 0.000 0.000 0.290 859 G C -1.184 173.773 174.900 0.094 0.000 1.425 859 G CA -0.344 44.813 45.100 0.095 0.000 0.822 859 G HN 0.855 nan 8.290 nan 0.000 0.482 860 G N -2.018 106.848 108.800 0.111 0.000 2.682 860 G HA2 0.648 4.608 3.960 0.000 0.000 0.303 860 G HA3 0.648 4.608 3.960 0.000 0.000 0.303 860 G C -2.000 172.968 174.900 0.114 0.000 1.341 860 G CA -0.390 44.762 45.100 0.086 0.000 0.784 860 G HN 1.218 nan 8.290 nan 0.000 0.497 861 V N 0.522 120.488 119.914 0.087 0.000 2.525 861 V HA 0.584 4.704 4.120 0.000 0.000 0.299 861 V C -0.524 175.703 176.094 0.221 0.000 1.034 861 V CA -0.627 61.758 62.300 0.141 0.000 0.863 861 V CB 1.531 33.414 31.823 0.100 0.000 0.999 861 V HN 0.862 nan 8.190 nan 0.000 0.423 862 E N 3.778 124.140 120.200 0.270 0.000 2.199 862 E HA 0.507 4.857 4.350 0.000 0.000 0.269 862 E C -2.066 174.716 176.600 0.304 0.000 0.899 862 E CA -0.699 55.880 56.400 0.298 0.000 0.772 862 E CB 1.986 31.824 29.700 0.229 0.000 1.155 862 E HN 0.643 nan 8.360 nan 0.000 0.408 863 Y N 4.780 125.190 120.300 0.183 0.000 2.363 863 Y HA 0.376 4.926 4.550 0.000 0.000 0.325 863 Y C -0.637 175.421 175.900 0.264 0.000 0.984 863 Y CA -0.698 57.526 58.100 0.205 0.000 1.248 863 Y CB 0.669 39.252 38.460 0.204 0.000 1.116 863 Y HN 0.521 nan 8.280 nan 0.000 0.470 864 R N 4.533 124.952 120.500 -0.135 0.000 2.531 864 R HA 0.690 5.030 4.340 0.000 0.000 0.260 864 R C -1.198 175.004 176.300 -0.164 0.000 1.144 864 R CA -0.227 55.786 56.100 -0.144 0.000 1.171 864 R CB 0.989 31.228 30.300 -0.103 0.000 1.199 864 R HN 0.708 nan 8.270 nan 0.000 0.594 865 F N 0.000 119.867 119.950 -0.138 0.000 2.286 865 F HA 0.000 4.527 4.527 0.000 0.000 0.279 865 F CA 0.000 57.934 58.000 -0.111 0.000 1.383 865 F CB 0.000 38.918 39.000 -0.137 0.000 1.145 865 F HN 0.000 nan 8.300 nan 0.000 0.574