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 3csl_1_A DATA FIRST_RESID 113 DATA SEQUENCE NDWVYDEPRS VSVISREQMD NRPARHAADI LEQTTGAYSS VSQQDPALSV DATA SEQUENCE NIRGIQDYGR VNMNIDGMRQ NFQKSGHGQR NGTMYIDSEL LSGVTIDKGT DATA SEQUENCE TGGMGSAGTL GGIATFNTVS ASDFLAPGKE LGGKLHASTG DNGTHFIGSG DATA SEQUENCE ILALGNETGD ILLAASERHL GDYWPGNKGD IGNIRINNDT GNYDRYAESI DATA SEQUENCE KNNKIPDTHY RMHSRLAKVG WNLPANQRLQ LSYLQTQTAS PIAGTLTNLG DATA SEQUENCE TRPPYELGWK RTGYTDVMAR NAAFDYSLAP EDVDWLDFQA KLYYVDTQDD DATA SEQUENCE SDTYSTSSLL DNGYATRTRL RTYGAQAQNT SRFSLAPGHD FRANYGLEFY DATA SEQUENCE YDKATSDSSR QGMEGVTPAG NRSVASLFAN LTYDYDGWLT LEGGLRYDRY DATA SEQUENCE RLRGQTGLSY PDLAKDGQRY TIDNPcKALR LTGcSTTTRE DWDVDRDQGK DATA SEQUENCE LSPTLAVAVR PGVEWLELYT TYGKSWRPPA ITETLTNGSA HSSSTQYPNP DATA SEQUENCE FLQPERSRAW EVGFNVQQPD LWFEGDRLVA KVAYFDTKVD NYINLAIDRN DATA SEQUENCE KPGLVQPSIG NAAYVNNLSK TRFRGLEYQL NYDAGVFYAD LTYTHMIGKN DATA SEQUENCE EFcSNKAWLG GRLRYGDGSR RGNFYVEPDA ASNDFVTcDG GTQFGSAAYL DATA SEQUENCE PGDRGSVTLG GRAFDRKLDA GVTVRFAPGY QDSSVPSNYP YLADWPKYTL DATA SEQUENCE FDLYASYKLT DSLTLRGSVE NLTNRAYVVS YGETLANTLG RGRTVQGGVE DATA SEQUENCE YRF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 113 N HA 0.000 nan 4.740 nan 0.000 0.220 113 N C 0.000 175.503 175.510 -0.011 0.000 1.280 113 N CA 0.000 53.070 53.050 0.033 0.000 0.885 113 N CB 0.000 38.495 38.487 0.014 0.000 1.341 114 D N 1.048 121.444 120.400 -0.007 0.000 3.100 114 D HA 0.178 4.818 4.640 0.000 0.000 0.350 114 D C 1.091 177.331 176.300 -0.100 0.000 1.310 114 D CA -0.589 53.343 54.000 -0.112 0.000 0.741 114 D CB -1.361 39.478 40.800 0.064 0.000 1.248 114 D HN 0.637 nan 8.370 nan 0.000 0.527 115 W N -0.060 121.231 121.300 -0.015 0.000 2.387 115 W HA -0.142 4.518 4.660 0.000 0.000 0.272 115 W C 0.568 177.047 176.519 -0.066 0.000 1.224 115 W CA 0.013 57.337 57.345 -0.035 0.000 1.210 115 W CB -1.107 28.314 29.460 -0.065 0.000 1.125 115 W HN -0.019 nan 8.180 nan 0.000 0.572 116 V N 1.800 121.203 119.914 -0.851 0.000 2.278 116 V HA -0.364 3.756 4.120 0.000 0.000 0.251 116 V C 2.003 177.812 176.094 -0.476 0.000 1.062 116 V CA 2.274 64.030 62.300 -0.906 0.000 1.038 116 V CB -1.254 29.862 31.823 -1.180 0.000 0.646 116 V HN 0.121 nan 8.190 nan 0.000 0.447 117 Y N -0.647 119.521 120.300 -0.219 0.000 2.632 117 Y HA -0.007 4.543 4.550 0.000 0.000 0.301 117 Y C 1.714 177.576 175.900 -0.063 0.000 1.172 117 Y CA 1.010 59.035 58.100 -0.125 0.000 1.328 117 Y CB -0.217 38.179 38.460 -0.107 0.000 1.016 117 Y HN 0.296 nan 8.280 nan 0.000 0.529 118 D N -0.164 120.276 120.400 0.066 0.000 2.462 118 D HA 0.058 4.698 4.640 0.000 0.000 0.221 118 D C -0.547 175.768 176.300 0.025 0.000 1.173 118 D CA 0.118 54.158 54.000 0.066 0.000 0.831 118 D CB 0.225 41.081 40.800 0.094 0.000 1.001 118 D HN 0.107 nan 8.370 nan 0.000 0.499 119 E N 0.033 120.211 120.200 -0.036 0.000 2.187 119 E HA 0.401 4.751 4.350 0.000 0.000 0.268 119 E C -2.432 173.997 176.600 -0.284 0.000 0.896 119 E CA -2.537 53.812 56.400 -0.086 0.000 0.766 119 E CB 1.975 31.674 29.700 -0.002 0.000 1.142 119 E HN -0.147 nan 8.360 nan 0.000 0.408 120 P HA 0.118 nan 4.420 nan 0.000 0.232 120 P C -1.366 175.426 177.300 -0.847 0.000 1.738 120 P CA 0.133 62.805 63.100 -0.715 0.000 0.948 120 P CB -0.433 31.118 31.700 -0.248 0.000 1.943 121 R N -2.957 117.066 120.500 -0.795 0.000 2.825 121 R HA 0.367 4.707 4.340 0.000 0.000 0.274 121 R C -1.219 174.958 176.300 -0.204 0.000 1.026 121 R CA -0.752 55.145 56.100 -0.339 0.000 0.867 121 R CB -0.257 29.948 30.300 -0.159 0.000 1.268 121 R HN -0.337 nan 8.270 nan 0.000 0.491 122 S N 1.254 116.918 115.700 -0.060 0.000 3.455 122 S HA 0.165 4.635 4.470 0.000 0.000 0.288 122 S C -0.235 174.263 174.600 -0.170 0.000 1.231 122 S CA -0.391 57.751 58.200 -0.097 0.000 1.031 122 S CB -0.091 63.066 63.200 -0.073 0.000 1.570 122 S HN 0.335 nan 8.310 nan 0.000 0.519 123 V N 2.831 122.612 119.914 -0.222 0.000 2.769 123 V HA 0.883 5.003 4.120 0.000 0.000 0.312 123 V C -0.139 175.734 176.094 -0.368 0.000 1.058 123 V CA -0.204 61.947 62.300 -0.247 0.000 0.952 123 V CB 2.392 34.107 31.823 -0.180 0.000 1.019 123 V HN 0.587 nan 8.190 nan 0.000 0.445 124 S N 2.801 118.287 115.700 -0.357 0.000 2.625 124 S HA 0.774 5.244 4.470 0.000 0.000 0.271 124 S C -1.708 172.673 174.600 -0.365 0.000 1.161 124 S CA -0.059 57.901 58.200 -0.401 0.000 0.820 124 S CB 1.855 64.867 63.200 -0.313 0.000 1.137 124 S HN 1.602 nan 8.310 nan 0.000 0.470 125 V N 3.254 122.955 119.914 -0.355 0.000 2.655 125 V HA 0.640 4.760 4.120 0.000 0.000 0.301 125 V C -1.199 174.755 176.094 -0.233 0.000 1.082 125 V CA -0.722 61.408 62.300 -0.283 0.000 0.899 125 V CB 1.421 33.069 31.823 -0.292 0.000 1.014 125 V HN 0.911 nan 8.190 nan 0.000 0.429 126 I N 7.688 128.127 120.570 -0.218 0.000 2.347 126 I HA 0.513 4.683 4.170 0.000 0.000 0.294 126 I C 0.713 176.734 176.117 -0.161 0.000 1.090 126 I CA 0.764 61.953 61.300 -0.186 0.000 1.314 126 I CB 1.036 38.921 38.000 -0.192 0.000 1.423 126 I HN 0.853 nan 8.210 nan 0.000 0.503 127 S N 5.928 121.542 115.700 -0.143 0.000 2.600 127 S HA 0.276 4.746 4.470 0.000 0.000 0.265 127 S C 1.215 175.743 174.600 -0.120 0.000 1.325 127 S CA -0.459 57.665 58.200 -0.127 0.000 1.002 127 S CB 1.215 64.340 63.200 -0.124 0.000 0.921 127 S HN 0.760 nan 8.310 nan 0.000 0.554 128 R N 1.033 121.465 120.500 -0.113 0.000 2.096 128 R HA -0.050 4.290 4.340 0.000 0.000 0.235 128 R C 1.811 178.043 176.300 -0.115 0.000 1.127 128 R CA 1.973 58.008 56.100 -0.109 0.000 0.968 128 R CB -1.233 29.002 30.300 -0.107 0.000 0.861 128 R HN 0.859 nan 8.270 nan 0.000 0.440 129 E N 0.286 120.415 120.200 -0.118 0.000 2.118 129 E HA -0.192 4.158 4.350 0.000 0.000 0.195 129 E C 2.016 178.531 176.600 -0.141 0.000 0.992 129 E CA 1.618 57.946 56.400 -0.121 0.000 0.804 129 E CB -0.138 29.486 29.700 -0.125 0.000 0.741 129 E HN 0.490 nan 8.360 nan 0.000 0.458 130 Q N -0.489 119.225 119.800 -0.143 0.000 2.119 130 Q HA -0.039 4.301 4.340 0.000 0.000 0.201 130 Q C 2.008 177.922 176.000 -0.144 0.000 0.972 130 Q CA 1.180 56.888 55.803 -0.159 0.000 0.847 130 Q CB -0.102 28.554 28.738 -0.136 0.000 0.903 130 Q HN 0.389 nan 8.270 nan 0.000 0.433 131 M N 0.183 119.711 119.600 -0.121 0.000 2.492 131 M HA -0.084 4.396 4.480 0.000 0.000 0.262 131 M C 0.534 176.773 176.300 -0.103 0.000 1.090 131 M CA 0.732 55.972 55.300 -0.101 0.000 1.110 131 M CB 0.165 32.711 32.600 -0.090 0.000 1.407 131 M HN 0.027 nan 8.290 nan 0.000 0.470 132 D N 0.148 120.480 120.400 -0.114 0.000 2.262 132 D HA -0.019 4.621 4.640 0.000 0.000 0.212 132 D C 1.529 177.787 176.300 -0.069 0.000 0.964 132 D CA 0.830 54.770 54.000 -0.101 0.000 0.875 132 D CB -0.233 40.507 40.800 -0.100 0.000 0.996 132 D HN 0.202 nan 8.370 nan 0.000 0.497 133 N N 0.397 119.021 118.700 -0.127 0.000 2.409 133 N HA -0.026 4.714 4.740 0.000 0.000 0.179 133 N C 0.390 175.809 175.510 -0.152 0.000 1.032 133 N CA 0.384 53.324 53.050 -0.184 0.000 0.898 133 N CB 0.362 38.523 38.487 -0.544 0.000 0.971 133 N HN 0.070 nan 8.380 nan 0.000 0.441 134 R N 0.692 121.116 120.500 -0.127 0.000 2.644 134 R HA 0.275 4.615 4.340 0.000 0.000 0.271 134 R C -2.736 173.540 176.300 -0.040 0.000 1.687 134 R CA -1.489 54.572 56.100 -0.065 0.000 1.655 134 R CB 0.806 31.055 30.300 -0.086 0.000 1.285 134 R HN -0.108 nan 8.270 nan 0.000 0.643 135 P HA -0.038 nan 4.420 nan 0.000 0.264 135 P C -0.985 176.308 177.300 -0.011 0.000 1.179 135 P CA 0.277 63.370 63.100 -0.012 0.000 0.763 135 P CB 0.949 32.658 31.700 0.015 0.000 0.806 136 A N 2.988 125.801 122.820 -0.012 0.000 2.325 136 A HA 0.513 4.833 4.320 0.000 0.000 0.333 136 A C 1.107 178.698 177.584 0.011 0.000 1.155 136 A CA -0.611 51.428 52.037 0.003 0.000 0.814 136 A CB 0.994 20.002 19.000 0.013 0.000 1.206 136 A HN 0.682 nan 8.150 nan 0.000 0.482 137 R N 0.521 121.039 120.500 0.031 0.000 2.225 137 R HA 0.166 4.506 4.340 0.000 0.000 0.194 137 R C 0.242 176.650 176.300 0.181 0.000 0.957 137 R CA 0.312 56.447 56.100 0.057 0.000 1.042 137 R CB 0.093 30.401 30.300 0.013 0.000 1.004 137 R HN 0.684 nan 8.270 nan 0.000 0.509 138 H N -0.216 118.884 119.070 0.049 0.000 2.524 138 H HA 0.426 4.982 4.556 0.000 0.000 0.353 138 H C 0.233 175.555 175.328 -0.010 0.000 1.136 138 H CA 0.037 56.101 56.048 0.026 0.000 1.193 138 H CB 2.405 32.148 29.762 -0.032 0.000 1.558 138 H HN 0.129 nan 8.280 nan 0.000 0.515 139 A N 3.859 126.670 122.820 -0.016 0.000 1.986 139 A HA -0.168 4.152 4.320 0.000 0.000 0.220 139 A C 2.035 179.726 177.584 0.179 0.000 1.171 139 A CA 1.808 53.878 52.037 0.056 0.000 0.640 139 A CB -0.744 18.205 19.000 -0.086 0.000 0.811 139 A HN 0.702 nan 8.150 nan 0.000 0.451 140 A N -0.655 122.386 122.820 0.368 0.000 2.255 140 A HA 0.069 4.389 4.320 0.000 0.000 0.206 140 A C 1.147 178.748 177.584 0.029 0.000 1.193 140 A CA 1.170 53.276 52.037 0.116 0.000 0.794 140 A CB -0.365 18.608 19.000 -0.044 0.000 0.794 140 A HN 0.444 nan 8.150 nan 0.000 0.481 141 D N -0.034 120.399 120.400 0.056 0.000 2.305 141 D HA -0.028 4.612 4.640 0.000 0.000 0.206 141 D C 1.750 178.039 176.300 -0.018 0.000 0.974 141 D CA 0.879 54.884 54.000 0.009 0.000 0.871 141 D CB -0.203 40.610 40.800 0.022 0.000 0.947 141 D HN 0.754 nan 8.370 nan 0.000 0.516 142 I N -1.992 118.572 120.570 -0.011 0.000 3.444 142 I HA -0.004 4.166 4.170 0.000 0.000 0.287 142 I C 0.897 176.963 176.117 -0.085 0.000 1.302 142 I CA 0.387 61.659 61.300 -0.047 0.000 1.368 142 I CB 0.047 38.027 38.000 -0.033 0.000 1.048 142 I HN -0.190 nan 8.210 nan 0.000 0.487 143 L N 1.050 122.222 121.223 -0.084 0.000 2.567 143 L HA 0.167 4.507 4.340 0.000 0.000 0.225 143 L C 2.089 178.849 176.870 -0.182 0.000 1.119 143 L CA 1.001 55.759 54.840 -0.137 0.000 0.871 143 L CB -0.672 41.316 42.059 -0.118 0.000 1.036 143 L HN 0.260 nan 8.230 nan 0.000 0.459 144 E N -0.605 119.511 120.200 -0.141 0.000 2.511 144 E HA -0.062 4.289 4.350 0.000 0.000 0.196 144 E C 0.790 177.293 176.600 -0.162 0.000 1.066 144 E CA 0.214 56.523 56.400 -0.152 0.000 0.871 144 E CB 0.148 29.798 29.700 -0.083 0.000 0.863 144 E HN 0.565 nan 8.360 nan 0.000 0.520 145 Q N 0.387 120.095 119.800 -0.154 0.000 2.135 145 Q HA 0.060 4.400 4.340 0.000 0.000 0.222 145 Q C -0.233 175.677 176.000 -0.150 0.000 0.808 145 Q CA 0.052 55.775 55.803 -0.132 0.000 1.049 145 Q CB 1.401 30.081 28.738 -0.098 0.000 1.168 145 Q HN 0.079 nan 8.270 nan 0.000 0.483 146 T N -1.567 112.866 114.554 -0.201 0.000 2.848 146 T HA 0.375 4.725 4.350 0.000 0.000 0.285 146 T C 0.258 174.802 174.700 -0.260 0.000 0.995 146 T CA -0.734 61.239 62.100 -0.212 0.000 0.970 146 T CB 1.791 70.525 68.868 -0.224 0.000 0.976 146 T HN 0.102 nan 8.240 nan 0.000 0.441 147 T N -0.146 114.282 114.554 -0.211 0.000 2.926 147 T HA 0.467 4.817 4.350 0.000 0.000 0.307 147 T C 1.631 176.184 174.700 -0.245 0.000 1.059 147 T CA 0.271 62.247 62.100 -0.208 0.000 1.122 147 T CB 0.197 69.004 68.868 -0.101 0.000 0.972 147 T HN 2.125 nan 8.240 nan 0.000 0.545 148 G N 1.199 109.859 108.800 -0.233 0.000 2.189 148 G HA2 -0.026 3.934 3.960 0.000 0.000 0.267 148 G HA3 -0.026 3.934 3.960 0.000 0.000 0.267 148 G C 0.238 175.009 174.900 -0.214 0.000 0.975 148 G CA 0.077 45.077 45.100 -0.166 0.000 0.644 148 G HN 1.610 nan 8.290 nan 0.000 0.537 149 A N -0.471 122.093 122.820 -0.427 0.000 2.276 149 A HA 0.885 5.205 4.320 0.000 0.000 0.316 149 A C -0.435 176.784 177.584 -0.609 0.000 1.229 149 A CA -0.368 51.447 52.037 -0.370 0.000 0.851 149 A CB 0.960 19.776 19.000 -0.306 0.000 1.165 149 A HN 0.674 nan 8.150 nan 0.000 0.513 150 Y N 0.222 120.422 120.300 -0.166 0.000 2.889 150 Y HA 0.766 5.316 4.550 0.000 0.000 0.317 150 Y C 0.377 176.261 175.900 -0.027 0.000 1.414 150 Y CA -0.482 57.544 58.100 -0.122 0.000 1.091 150 Y CB 1.944 40.262 38.460 -0.235 0.000 1.358 150 Y HN 0.708 nan 8.280 nan 0.000 0.487 151 S N -0.436 115.432 115.700 0.279 0.000 2.590 151 S HA 0.277 4.747 4.470 0.000 0.000 0.286 151 S C -1.444 173.245 174.600 0.149 0.000 1.147 151 S CA -0.694 57.611 58.200 0.174 0.000 0.963 151 S CB 0.600 63.823 63.200 0.039 0.000 1.124 151 S HN 0.515 nan 8.310 nan 0.000 0.458 152 S N 3.065 118.818 115.700 0.088 0.000 4.053 152 S HA 0.133 4.603 4.470 0.000 0.000 0.184 152 S C 0.230 174.788 174.600 -0.071 0.000 1.324 152 S CA -0.096 58.049 58.200 -0.092 0.000 0.956 152 S CB -0.396 62.742 63.200 -0.103 0.000 1.503 152 S HN 0.647 nan 8.310 nan 0.000 0.440 153 V N 2.261 122.122 119.914 -0.089 0.000 2.607 153 V HA 0.541 4.661 4.120 0.000 0.000 0.289 153 V C 0.086 176.082 176.094 -0.164 0.000 1.053 153 V CA -0.228 61.971 62.300 -0.168 0.000 0.996 153 V CB 1.888 33.534 31.823 -0.296 0.000 0.995 153 V HN 0.456 nan 8.190 nan 0.000 0.476 154 S N 4.687 120.285 115.700 -0.171 0.000 2.498 154 S HA 0.364 4.834 4.470 0.000 0.000 0.317 154 S C 0.500 174.999 174.600 -0.168 0.000 1.090 154 S CA -0.697 57.414 58.200 -0.148 0.000 1.089 154 S CB 1.653 64.791 63.200 -0.103 0.000 0.997 154 S HN 0.832 nan 8.310 nan 0.000 0.470 155 Q N 3.067 122.769 119.800 -0.164 0.000 2.508 155 Q HA -0.074 4.266 4.340 0.000 0.000 0.214 155 Q C 1.183 177.161 176.000 -0.036 0.000 0.979 155 Q CA 1.234 57.000 55.803 -0.063 0.000 0.911 155 Q CB -0.034 28.726 28.738 0.037 0.000 0.969 155 Q HN 0.783 nan 8.270 nan 0.000 0.504 156 Q N -0.277 119.440 119.800 -0.138 0.000 2.376 156 Q HA 0.004 4.344 4.340 0.000 0.000 0.206 156 Q C 0.011 175.925 176.000 -0.143 0.000 0.921 156 Q CA 0.244 55.946 55.803 -0.169 0.000 0.911 156 Q CB 0.561 29.151 28.738 -0.246 0.000 1.032 156 Q HN 0.080 nan 8.270 nan 0.000 0.510 157 D N 0.093 120.432 120.400 -0.101 0.000 2.414 157 D HA 0.161 4.801 4.640 0.000 0.000 0.232 157 D C -2.151 174.100 176.300 -0.082 0.000 1.070 157 D CA -2.443 51.496 54.000 -0.100 0.000 0.839 157 D CB 1.678 42.442 40.800 -0.060 0.000 1.079 157 D HN -0.207 nan 8.370 nan 0.000 0.521 158 P HA 0.042 nan 4.420 nan 0.000 0.231 158 P C -0.173 176.811 177.300 -0.527 0.000 1.158 158 P CA 0.328 63.009 63.100 -0.699 0.000 0.763 158 P CB 0.063 31.172 31.700 -0.984 0.000 0.805 159 A N 0.228 122.869 122.820 -0.298 0.000 2.511 159 A HA 0.204 4.524 4.320 0.000 0.000 0.242 159 A C -0.083 177.318 177.584 -0.305 0.000 1.069 159 A CA 0.049 51.753 52.037 -0.555 0.000 0.763 159 A CB -0.565 18.221 19.000 -0.357 0.000 1.001 159 A HN 0.172 nan 8.150 nan 0.000 0.498 160 L N 2.925 123.903 121.223 -0.408 0.000 2.282 160 L HA 0.624 4.964 4.340 0.000 0.000 0.288 160 L C 0.176 176.945 176.870 -0.169 0.000 1.033 160 L CA 0.331 55.065 54.840 -0.176 0.000 0.807 160 L CB 1.648 43.575 42.059 -0.220 0.000 1.209 160 L HN 0.563 nan 8.230 nan 0.000 0.423 161 S N 4.577 120.229 115.700 -0.080 0.000 2.659 161 S HA 0.601 5.071 4.470 0.000 0.000 0.312 161 S C -0.971 173.619 174.600 -0.017 0.000 1.114 161 S CA -0.618 57.541 58.200 -0.069 0.000 1.063 161 S CB 0.897 64.057 63.200 -0.065 0.000 0.996 161 S HN 0.444 nan 8.310 nan 0.000 0.478 162 V N 6.465 126.372 119.914 -0.012 0.000 2.408 162 V HA 0.373 4.493 4.120 0.000 0.000 0.267 162 V C 0.439 176.526 176.094 -0.011 0.000 1.047 162 V CA -0.738 61.568 62.300 0.010 0.000 0.937 162 V CB 0.787 32.635 31.823 0.041 0.000 0.999 162 V HN 0.843 nan 8.190 nan 0.000 0.472 163 N N 5.602 124.308 118.700 0.010 0.000 2.400 163 N HA 0.472 5.212 4.740 0.000 0.000 0.288 163 N C -1.015 174.457 175.510 -0.063 0.000 1.024 163 N CA -0.465 52.579 53.050 -0.011 0.000 0.894 163 N CB 1.653 40.180 38.487 0.065 0.000 1.173 163 N HN 0.583 nan 8.380 nan 0.000 0.487 164 I N 4.136 124.622 120.570 -0.139 0.000 2.464 164 I HA 0.276 4.446 4.170 0.000 0.000 0.277 164 I C 0.492 176.447 176.117 -0.271 0.000 1.040 164 I CA -0.444 60.741 61.300 -0.191 0.000 1.153 164 I CB 0.707 38.575 38.000 -0.221 0.000 1.274 164 I HN 0.621 nan 8.210 nan 0.000 0.469 165 R N 3.690 124.071 120.500 -0.199 0.000 3.878 165 R HA -0.204 4.136 4.340 0.000 0.000 0.330 165 R C 0.968 177.162 176.300 -0.177 0.000 1.186 165 R CA 0.617 56.597 56.100 -0.199 0.000 0.885 165 R CB -1.882 28.180 30.300 -0.395 0.000 1.377 165 R HN 1.086 nan 8.270 nan 0.000 0.523 166 G N -0.798 107.824 108.800 -0.296 0.000 2.278 166 G HA2 -0.240 3.720 3.960 0.000 0.000 0.210 166 G HA3 -0.240 3.720 3.960 0.000 0.000 0.210 166 G C 0.106 174.861 174.900 -0.242 0.000 1.000 166 G CA -0.109 44.880 45.100 -0.186 0.000 0.635 166 G HN 0.138 nan 8.290 nan 0.000 0.495 167 I N 1.809 122.057 120.570 -0.536 0.000 2.395 167 I HA 0.525 4.695 4.170 0.000 0.000 0.289 167 I C 1.116 177.148 176.117 -0.143 0.000 1.023 167 I CA 0.715 61.793 61.300 -0.370 0.000 1.350 167 I CB 1.719 39.419 38.000 -0.499 0.000 1.409 167 I HN 0.542 nan 8.210 nan 0.000 0.507 168 Q N 2.097 121.881 119.800 -0.025 0.000 2.399 168 Q HA 0.226 4.566 4.340 0.000 0.000 0.205 168 Q C -0.560 175.409 176.000 -0.052 0.000 0.733 168 Q CA -0.501 55.287 55.803 -0.024 0.000 0.916 168 Q CB 0.230 28.991 28.738 0.040 0.000 1.299 168 Q HN 0.414 nan 8.270 nan 0.000 0.455 169 D N 1.392 121.767 120.400 -0.041 0.000 2.372 169 D HA 0.213 4.853 4.640 0.000 0.000 0.243 169 D C -0.139 176.107 176.300 -0.089 0.000 1.121 169 D CA 0.442 54.351 54.000 -0.151 0.000 0.898 169 D CB 0.276 41.013 40.800 -0.106 0.000 1.202 169 D HN 0.152 nan 8.370 nan 0.000 0.428 170 Y N -0.020 120.206 120.300 -0.123 0.000 2.896 170 Y HA -0.352 4.198 4.550 0.000 0.000 0.464 170 Y C 2.071 177.890 175.900 -0.135 0.000 1.198 170 Y CA 0.941 58.953 58.100 -0.147 0.000 2.486 170 Y CB -1.426 36.919 38.460 -0.192 0.000 1.234 170 Y HN 0.487 nan 8.280 nan 0.000 0.634 171 G N -0.210 108.631 108.800 0.069 0.000 2.479 171 G HA2 -0.261 3.699 3.960 0.000 0.000 0.220 171 G HA3 -0.261 3.699 3.960 0.000 0.000 0.220 171 G C 1.391 176.261 174.900 -0.051 0.000 1.115 171 G CA 1.354 46.443 45.100 -0.019 0.000 0.757 171 G HN 0.557 nan 8.290 nan 0.000 0.560 172 R N -0.746 119.722 120.500 -0.052 0.000 2.159 172 R HA -0.135 4.205 4.340 0.000 0.000 0.249 172 R C 0.419 176.671 176.300 -0.081 0.000 1.136 172 R CA 1.245 57.303 56.100 -0.069 0.000 0.951 172 R CB -0.559 29.708 30.300 -0.056 0.000 0.876 172 R HN 0.274 nan 8.270 nan 0.000 0.440 173 V N 1.794 121.659 119.914 -0.081 0.000 2.357 173 V HA 0.084 4.204 4.120 0.000 0.000 0.284 173 V C -0.523 175.523 176.094 -0.080 0.000 1.018 173 V CA -0.851 61.395 62.300 -0.089 0.000 0.841 173 V CB 1.384 33.152 31.823 -0.091 0.000 0.991 173 V HN 0.206 nan 8.190 nan 0.000 0.437 174 N N 6.080 124.730 118.700 -0.084 0.000 2.466 174 N HA 0.211 4.951 4.740 0.000 0.000 0.263 174 N C -0.240 175.232 175.510 -0.063 0.000 1.178 174 N CA 0.091 53.086 53.050 -0.091 0.000 0.983 174 N CB 0.138 38.563 38.487 -0.103 0.000 1.331 174 N HN 0.614 nan 8.380 nan 0.000 0.500 175 M N 2.819 122.387 119.600 -0.052 0.000 2.143 175 M HA 0.172 4.652 4.480 0.000 0.000 0.348 175 M C -0.159 176.111 176.300 -0.049 0.000 1.375 175 M CA -0.210 55.091 55.300 0.001 0.000 1.124 175 M CB 0.123 32.695 32.600 -0.047 0.000 1.669 175 M HN 0.535 nan 8.290 nan 0.000 0.469 176 N N 3.419 122.130 118.700 0.017 0.000 2.396 176 N HA 0.710 5.450 4.740 0.000 0.000 0.275 176 N C -1.279 174.230 175.510 -0.000 0.000 1.218 176 N CA -1.127 51.884 53.050 -0.065 0.000 0.812 176 N CB 1.712 40.125 38.487 -0.122 0.000 1.592 176 N HN 0.678 nan 8.380 nan 0.000 0.480 177 I N -1.786 118.728 120.570 -0.093 0.000 2.328 177 I HA 0.510 4.680 4.170 0.000 0.000 0.287 177 I C -0.777 175.273 176.117 -0.112 0.000 1.012 177 I CA -0.545 60.720 61.300 -0.058 0.000 1.195 177 I CB 1.125 39.068 38.000 -0.096 0.000 1.350 177 I HN 0.571 nan 8.210 nan 0.000 0.464 178 D N 4.784 125.137 120.400 -0.078 0.000 2.983 178 D HA -0.207 4.433 4.640 0.000 0.000 0.225 178 D C 1.183 177.388 176.300 -0.157 0.000 1.174 178 D CA 1.824 55.762 54.000 -0.104 0.000 0.831 178 D CB -1.226 39.519 40.800 -0.092 0.000 1.104 178 D HN 1.336 nan 8.370 nan 0.000 0.421 179 G N -1.199 107.493 108.800 -0.180 0.000 2.194 179 G HA2 -0.320 3.640 3.960 0.000 0.000 0.236 179 G HA3 -0.320 3.640 3.960 0.000 0.000 0.236 179 G C 0.310 174.950 174.900 -0.434 0.000 0.987 179 G CA 0.241 45.204 45.100 -0.227 0.000 0.635 179 G HN 0.383 nan 8.290 nan 0.000 0.520 180 M N 1.900 121.173 119.600 -0.545 0.000 2.156 180 M HA 0.360 4.840 4.480 0.000 0.000 0.345 180 M C 0.768 176.809 176.300 -0.432 0.000 1.398 180 M CA -0.194 54.568 55.300 -0.897 0.000 1.148 180 M CB 0.583 32.795 32.600 -0.647 0.000 1.663 180 M HN 0.115 nan 8.290 nan 0.000 0.464 181 R N 2.646 122.962 120.500 -0.306 0.000 2.484 181 R HA 0.042 4.382 4.340 0.000 0.000 0.293 181 R C -0.246 175.979 176.300 -0.125 0.000 1.023 181 R CA 0.075 56.058 56.100 -0.195 0.000 1.037 181 R CB 0.405 30.523 30.300 -0.304 0.000 0.951 181 R HN 0.496 nan 8.270 nan 0.000 0.418 182 Q N 2.928 122.649 119.800 -0.132 0.000 2.509 182 Q HA 0.131 4.471 4.340 0.000 0.000 0.230 182 Q C -0.283 175.681 176.000 -0.060 0.000 1.089 182 Q CA -0.206 55.542 55.803 -0.093 0.000 0.901 182 Q CB 1.003 29.663 28.738 -0.130 0.000 1.208 182 Q HN 0.486 nan 8.270 nan 0.000 0.529 183 N N 1.154 119.841 118.700 -0.022 0.000 2.270 183 N HA 0.019 4.759 4.740 0.000 0.000 0.198 183 N C 0.069 175.600 175.510 0.036 0.000 1.117 183 N CA -0.124 52.921 53.050 -0.009 0.000 0.845 183 N CB 0.245 38.729 38.487 -0.005 0.000 0.980 183 N HN 0.384 nan 8.380 nan 0.000 0.486 184 F N 2.497 122.410 119.950 -0.062 0.000 2.629 184 F HA 0.010 4.537 4.527 0.000 0.000 0.377 184 F C 0.592 176.362 175.800 -0.051 0.000 1.101 184 F CA 0.515 58.492 58.000 -0.039 0.000 1.301 184 F CB 0.598 39.588 39.000 -0.017 0.000 1.062 184 F HN -0.078 nan 8.300 nan 0.000 0.583 185 Q N 6.538 125.756 119.800 -0.971 0.000 2.309 185 Q HA 0.282 4.622 4.340 0.000 0.000 0.273 185 Q C -1.875 173.610 176.000 -0.858 0.000 1.040 185 Q CA -0.890 54.483 55.803 -0.716 0.000 0.834 185 Q CB 2.095 30.645 28.738 -0.313 0.000 1.345 185 Q HN 0.876 nan 8.270 nan 0.000 0.414 186 K N 2.241 122.314 120.400 -0.544 0.000 2.545 186 K HA 0.415 4.735 4.320 0.000 0.000 0.252 186 K C -1.027 175.501 176.600 -0.121 0.000 0.948 186 K CA -0.319 55.791 56.287 -0.296 0.000 0.827 186 K CB 1.480 33.902 32.500 -0.129 0.000 1.128 186 K HN 0.587 nan 8.250 nan 0.000 0.429 187 S N 1.656 117.321 115.700 -0.058 0.000 2.533 187 S HA 0.383 4.854 4.470 0.000 0.000 0.282 187 S C 0.232 174.834 174.600 0.004 0.000 1.304 187 S CA 0.184 58.392 58.200 0.014 0.000 1.063 187 S CB 1.155 64.387 63.200 0.052 0.000 0.881 187 S HN 0.850 nan 8.310 nan 0.000 0.493 188 G N 1.339 110.147 108.800 0.014 0.000 3.000 188 G HA2 0.267 4.227 3.960 0.000 0.000 0.170 188 G HA3 0.267 4.227 3.960 0.000 0.000 0.170 188 G C -0.489 174.412 174.900 0.002 0.000 1.160 188 G CA -0.610 44.458 45.100 -0.054 0.000 0.945 188 G HN 0.711 nan 8.290 nan 0.000 0.593 189 H N 0.310 119.465 119.070 0.141 0.000 2.566 189 H HA 0.343 4.899 4.556 0.000 0.000 0.280 189 H C 1.840 177.120 175.328 -0.081 0.000 1.042 189 H CA 0.714 56.861 56.048 0.166 0.000 1.168 189 H CB 0.272 30.090 29.762 0.094 0.000 1.340 189 H HN 0.966 nan 8.280 nan 0.000 0.597 190 G N 0.775 109.631 108.800 0.092 0.000 2.168 190 G HA2 -0.417 3.543 3.960 0.000 0.000 0.263 190 G HA3 -0.417 3.543 3.960 0.000 0.000 0.263 190 G C 1.026 175.938 174.900 0.019 0.000 0.977 190 G CA 0.731 45.837 45.100 0.010 0.000 0.659 190 G HN 0.405 nan 8.290 nan 0.000 0.533 191 Q N -0.240 119.619 119.800 0.098 0.000 2.030 191 Q HA 0.027 4.367 4.340 0.000 0.000 0.204 191 Q C 1.300 177.321 176.000 0.035 0.000 0.986 191 Q CA 2.111 57.994 55.803 0.134 0.000 0.843 191 Q CB -0.025 28.743 28.738 0.051 0.000 0.904 191 Q HN 0.842 nan 8.270 nan 0.000 0.420 192 R N -0.429 120.057 120.500 -0.023 0.000 2.569 192 R HA 0.381 4.721 4.340 0.000 0.000 0.293 192 R C -1.667 174.539 176.300 -0.157 0.000 1.186 192 R CA -0.215 55.838 56.100 -0.079 0.000 0.956 192 R CB -0.268 29.993 30.300 -0.065 0.000 1.196 192 R HN -0.033 nan 8.270 nan 0.000 0.444 193 N N 1.905 120.442 118.700 -0.271 0.000 2.521 193 N HA 0.530 5.270 4.740 0.000 0.000 0.236 193 N C -0.544 174.587 175.510 -0.632 0.000 1.067 193 N CA -0.140 52.613 53.050 -0.494 0.000 0.939 193 N CB 1.457 39.491 38.487 -0.755 0.000 1.201 193 N HN 0.910 nan 8.380 nan 0.000 0.511 194 G N 1.076 109.636 108.800 -0.399 0.000 2.673 194 G HA2 -0.046 3.914 3.960 0.000 0.000 0.566 194 G HA3 -0.046 3.914 3.960 0.000 0.000 0.566 194 G C -0.426 174.368 174.900 -0.176 0.000 1.170 194 G CA -0.782 44.143 45.100 -0.292 0.000 1.242 194 G HN 0.484 nan 8.290 nan 0.000 0.568 195 T N -0.680 113.816 114.554 -0.097 0.000 2.901 195 T HA 0.901 5.251 4.350 0.000 0.000 0.293 195 T C 0.163 174.797 174.700 -0.111 0.000 1.084 195 T CA -0.257 61.769 62.100 -0.124 0.000 1.008 195 T CB 2.572 71.348 68.868 -0.154 0.000 1.170 195 T HN 1.781 nan 8.240 nan 0.000 0.509 196 M N 0.035 119.424 119.600 -0.351 0.000 2.779 196 M HA 0.745 5.225 4.480 0.000 0.000 0.277 196 M C -2.122 173.769 176.300 -0.681 0.000 1.284 196 M CA -1.279 53.803 55.300 -0.363 0.000 0.801 196 M CB 2.050 34.462 32.600 -0.314 0.000 1.712 196 M HN 0.644 nan 8.290 nan 0.000 0.453 197 Y N 0.839 120.971 120.300 -0.279 0.000 2.333 197 Y HA 0.691 5.241 4.550 0.000 0.000 0.324 197 Y C -1.225 174.510 175.900 -0.275 0.000 1.033 197 Y CA -0.696 57.239 58.100 -0.276 0.000 1.224 197 Y CB 1.729 40.033 38.460 -0.258 0.000 1.120 197 Y HN 0.617 nan 8.280 nan 0.000 0.457 198 I N 2.178 122.633 120.570 -0.192 0.000 2.569 198 I HA 0.341 4.511 4.170 0.000 0.000 0.296 198 I C 0.513 176.570 176.117 -0.100 0.000 1.028 198 I CA -0.276 60.914 61.300 -0.183 0.000 1.082 198 I CB 1.668 39.475 38.000 -0.322 0.000 1.264 198 I HN 0.612 nan 8.210 nan 0.000 0.429 199 D N 2.637 122.999 120.400 -0.063 0.000 2.323 199 D HA -0.070 4.571 4.640 0.000 0.000 0.209 199 D C 1.514 177.797 176.300 -0.028 0.000 0.973 199 D CA 1.427 55.402 54.000 -0.041 0.000 0.874 199 D CB 0.619 41.396 40.800 -0.038 0.000 0.930 199 D HN 0.700 nan 8.370 nan 0.000 0.521 200 S N -0.323 115.371 115.700 -0.010 0.000 2.298 200 S HA -0.346 4.124 4.470 0.000 0.000 0.240 200 S C 1.220 175.811 174.600 -0.014 0.000 1.197 200 S CA 2.003 60.208 58.200 0.009 0.000 1.575 200 S CB -1.526 61.678 63.200 0.006 0.000 2.016 200 S HN 0.315 nan 8.310 nan 0.000 0.604 201 E N 0.578 120.763 120.200 -0.025 0.000 2.371 201 E HA 0.299 4.649 4.350 0.000 0.000 0.194 201 E C 1.359 177.951 176.600 -0.013 0.000 1.012 201 E CA 1.093 57.473 56.400 -0.034 0.000 0.860 201 E CB -0.028 29.654 29.700 -0.030 0.000 0.811 201 E HN 0.799 nan 8.360 nan 0.000 0.502 202 L N 0.515 121.737 121.223 -0.002 0.000 2.818 202 L HA 0.320 4.660 4.340 0.000 0.000 0.243 202 L C -0.238 176.643 176.870 0.018 0.000 1.185 202 L CA -0.249 54.599 54.840 0.013 0.000 0.988 202 L CB 0.259 42.322 42.059 0.006 0.000 1.292 202 L HN -0.030 nan 8.230 nan 0.000 0.519 203 L N -0.131 121.099 121.223 0.012 0.000 2.289 203 L HA 0.238 4.578 4.340 0.000 0.000 0.285 203 L C 1.348 178.211 176.870 -0.012 0.000 1.049 203 L CA -0.159 54.689 54.840 0.014 0.000 0.804 203 L CB 1.919 44.000 42.059 0.036 0.000 1.195 203 L HN 0.137 nan 8.230 nan 0.000 0.428 204 S N 0.623 116.310 115.700 -0.022 0.000 2.501 204 S HA 0.366 4.837 4.470 0.000 0.000 0.220 204 S C 0.651 175.209 174.600 -0.070 0.000 0.997 204 S CA 0.189 58.357 58.200 -0.054 0.000 0.919 204 S CB 0.355 63.517 63.200 -0.064 0.000 0.778 204 S HN 0.898 nan 8.310 nan 0.000 0.523 205 G N -0.391 108.369 108.800 -0.067 0.000 2.328 205 G HA2 0.423 4.383 3.960 0.000 0.000 0.299 205 G HA3 0.423 4.383 3.960 0.000 0.000 0.299 205 G C -2.011 172.810 174.900 -0.131 0.000 1.435 205 G CA -0.474 44.569 45.100 -0.095 0.000 0.865 205 G HN 0.473 nan 8.290 nan 0.000 0.601 206 V N 0.585 120.378 119.914 -0.203 0.000 2.686 206 V HA 0.785 4.905 4.120 0.000 0.000 0.306 206 V C 0.109 176.030 176.094 -0.289 0.000 1.065 206 V CA -0.166 61.926 62.300 -0.346 0.000 0.894 206 V CB 1.992 33.444 31.823 -0.619 0.000 1.004 206 V HN 1.428 nan 8.190 nan 0.000 0.424 207 T N 2.678 117.082 114.554 -0.250 0.000 2.770 207 T HA 0.703 5.053 4.350 0.000 0.000 0.283 207 T C -0.567 174.006 174.700 -0.212 0.000 0.988 207 T CA -0.398 61.600 62.100 -0.170 0.000 0.957 207 T CB 0.772 69.642 68.868 0.003 0.000 0.930 207 T HN 0.413 nan 8.240 nan 0.000 0.443 208 I N 3.747 124.179 120.570 -0.230 0.000 2.310 208 I HA 0.218 4.388 4.170 0.000 0.000 0.287 208 I C 0.054 176.058 176.117 -0.187 0.000 1.073 208 I CA -0.635 60.532 61.300 -0.221 0.000 1.216 208 I CB 0.604 38.459 38.000 -0.243 0.000 1.415 208 I HN 0.655 nan 8.210 nan 0.000 0.480 209 D N 7.461 127.773 120.400 -0.147 0.000 2.352 209 D HA 0.181 4.821 4.640 0.000 0.000 0.245 209 D C -0.168 176.042 176.300 -0.150 0.000 1.224 209 D CA -0.052 53.871 54.000 -0.128 0.000 0.879 209 D CB 0.730 41.477 40.800 -0.088 0.000 1.057 209 D HN 0.352 nan 8.370 nan 0.000 0.491 210 K N 1.625 121.921 120.400 -0.173 0.000 2.087 210 K HA 0.688 5.009 4.320 0.000 0.000 0.255 210 K C 0.681 177.171 176.600 -0.183 0.000 0.988 210 K CA -0.719 55.443 56.287 -0.207 0.000 0.915 210 K CB 1.381 33.721 32.500 -0.268 0.000 1.043 210 K HN 0.567 nan 8.250 nan 0.000 0.457 211 G N 0.417 109.094 108.800 -0.207 0.000 2.698 211 G HA2 -0.234 3.726 3.960 0.000 0.000 0.225 211 G HA3 -0.234 3.726 3.960 0.000 0.000 0.225 211 G C -0.416 174.411 174.900 -0.121 0.000 1.345 211 G CA -0.493 44.513 45.100 -0.156 0.000 0.871 211 G HN 0.771 nan 8.290 nan 0.000 0.540 212 T N -1.512 112.983 114.554 -0.097 0.000 2.907 212 T HA 0.697 5.047 4.350 0.000 0.000 0.298 212 T C 0.578 175.224 174.700 -0.089 0.000 1.017 212 T CA 0.933 62.977 62.100 -0.094 0.000 1.118 212 T CB 1.371 70.174 68.868 -0.109 0.000 0.948 212 T HN 2.098 nan 8.240 nan 0.000 0.531 213 T N -0.523 113.982 114.554 -0.083 0.000 2.883 213 T HA 0.796 5.147 4.350 0.000 0.000 0.296 213 T C 0.005 174.659 174.700 -0.078 0.000 1.117 213 T CA -0.816 61.234 62.100 -0.082 0.000 1.006 213 T CB 1.746 70.558 68.868 -0.093 0.000 1.191 213 T HN 1.015 nan 8.240 nan 0.000 0.508 214 G N -1.546 107.203 108.800 -0.086 0.000 2.537 214 G HA2 0.798 4.758 3.960 0.000 0.000 0.308 214 G HA3 0.798 4.758 3.960 0.000 0.000 0.308 214 G C 0.270 175.039 174.900 -0.218 0.000 1.237 214 G CA -0.266 44.776 45.100 -0.097 0.000 0.968 214 G HN 1.741 nan 8.290 nan 0.000 0.481 215 G N -0.449 108.096 108.800 -0.425 0.000 2.548 215 G HA2 0.204 4.164 3.960 0.000 0.000 0.208 215 G HA3 0.204 4.164 3.960 0.000 0.000 0.208 215 G C 0.015 174.275 174.900 -1.066 0.000 1.308 215 G CA 0.090 44.583 45.100 -1.012 0.000 0.924 215 G HN 1.325 nan 8.290 nan 0.000 0.540 216 M N 1.821 120.891 119.600 -0.882 0.000 2.246 216 M HA 0.474 4.954 4.480 0.000 0.000 0.350 216 M C 1.495 177.678 176.300 -0.195 0.000 1.406 216 M CA 1.872 56.954 55.300 -0.363 0.000 1.089 216 M CB -0.083 32.454 32.600 -0.106 0.000 1.782 216 M HN 2.691 nan 8.290 nan 0.000 0.457 217 G N 2.519 111.265 108.800 -0.089 0.000 2.175 217 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 217 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 217 G C 0.811 175.670 174.900 -0.069 0.000 0.982 217 G CA 0.458 45.518 45.100 -0.066 0.000 0.641 217 G HN 0.698 nan 8.290 nan 0.000 0.527 218 S N 0.057 115.709 115.700 -0.080 0.000 2.478 218 S HA 0.474 4.944 4.470 0.000 0.000 0.222 218 S C 1.642 176.247 174.600 0.008 0.000 1.008 218 S CA 0.800 58.965 58.200 -0.059 0.000 0.928 218 S CB 0.192 63.336 63.200 -0.092 0.000 0.781 218 S HN 1.690 nan 8.310 nan 0.000 0.518 219 A N 1.373 124.235 122.820 0.071 0.000 2.553 219 A HA 0.431 4.751 4.320 0.000 0.000 0.258 219 A C 1.414 179.065 177.584 0.112 0.000 1.069 219 A CA 0.577 52.697 52.037 0.138 0.000 0.767 219 A CB -1.035 18.109 19.000 0.241 0.000 0.997 219 A HN 1.009 nan 8.150 nan 0.000 0.512 220 G N 2.665 111.495 108.800 0.050 0.000 2.176 220 G HA2 -0.181 3.779 3.960 0.000 0.000 0.252 220 G HA3 -0.181 3.779 3.960 0.000 0.000 0.252 220 G C 0.275 175.147 174.900 -0.047 0.000 1.024 220 G CA 0.498 45.576 45.100 -0.036 0.000 0.755 220 G HN 1.158 nan 8.290 nan 0.000 0.507 221 T N 0.246 114.782 114.554 -0.030 0.000 2.758 221 T HA 0.558 4.908 4.350 0.000 0.000 0.285 221 T C 1.079 175.748 174.700 -0.052 0.000 0.981 221 T CA -0.379 61.690 62.100 -0.051 0.000 0.965 221 T CB 1.449 70.282 68.868 -0.057 0.000 0.927 221 T HN 0.078 nan 8.240 nan 0.000 0.448 222 L N 2.799 123.983 121.223 -0.064 0.000 2.467 222 L HA 0.396 4.736 4.340 0.000 0.000 0.213 222 L C 2.368 179.178 176.870 -0.099 0.000 1.053 222 L CA 1.024 55.832 54.840 -0.053 0.000 0.847 222 L CB -0.489 41.562 42.059 -0.013 0.000 1.075 222 L HN 0.772 nan 8.230 nan 0.000 0.479 223 G N -1.606 107.111 108.800 -0.140 0.000 2.709 223 G HA2 0.501 4.461 3.960 0.000 0.000 0.208 223 G HA3 0.501 4.461 3.960 0.000 0.000 0.208 223 G C 0.622 175.410 174.900 -0.186 0.000 1.129 223 G CA 0.662 45.639 45.100 -0.204 0.000 0.793 223 G HN 0.558 nan 8.290 nan 0.000 0.524 224 G N -0.754 107.959 108.800 -0.146 0.000 2.352 224 G HA2 0.296 4.256 3.960 0.000 0.000 0.283 224 G HA3 0.296 4.256 3.960 0.000 0.000 0.283 224 G C -1.874 172.956 174.900 -0.117 0.000 1.308 224 G CA -0.798 44.219 45.100 -0.138 0.000 0.892 224 G HN 0.359 nan 8.290 nan 0.000 0.504 225 I N 0.649 121.149 120.570 -0.116 0.000 2.499 225 I HA 0.623 4.793 4.170 0.000 0.000 0.288 225 I C 0.192 176.246 176.117 -0.105 0.000 1.048 225 I CA -0.975 60.264 61.300 -0.100 0.000 1.062 225 I CB 2.269 40.210 38.000 -0.098 0.000 1.238 225 I HN 0.860 nan 8.210 nan 0.000 0.426 226 A N 4.153 126.930 122.820 -0.072 0.000 2.511 226 A HA 0.575 4.895 4.320 0.000 0.000 0.340 226 A C -0.134 177.424 177.584 -0.044 0.000 1.396 226 A CA -0.410 51.573 52.037 -0.089 0.000 0.887 226 A CB -0.009 18.999 19.000 0.013 0.000 1.145 226 A HN 0.640 nan 8.150 nan 0.000 0.497 227 T N 2.906 117.373 114.554 -0.144 0.000 2.727 227 T HA 0.406 4.757 4.350 0.000 0.000 0.298 227 T C -0.563 174.042 174.700 -0.159 0.000 0.942 227 T CA 0.323 62.377 62.100 -0.078 0.000 0.997 227 T CB -0.465 68.349 68.868 -0.090 0.000 0.917 227 T HN 0.323 nan 8.240 nan 0.000 0.487 228 F N 3.543 123.430 119.950 -0.105 0.000 2.404 228 F HA 0.333 4.860 4.527 0.000 0.000 0.358 228 F C 0.947 176.691 175.800 -0.093 0.000 1.120 228 F CA -1.086 56.856 58.000 -0.096 0.000 1.144 228 F CB 0.584 39.524 39.000 -0.100 0.000 1.133 228 F HN 0.372 nan 8.300 nan 0.000 0.495 229 N N 2.036 120.753 118.700 0.029 0.000 2.425 229 N HA 0.214 4.954 4.740 0.000 0.000 0.268 229 N C -0.074 175.439 175.510 0.005 0.000 0.991 229 N CA -0.277 52.769 53.050 -0.006 0.000 0.931 229 N CB 1.646 40.108 38.487 -0.043 0.000 1.130 229 N HN 0.568 nan 8.380 nan 0.000 0.493 230 T N -1.846 112.708 114.554 -0.001 0.000 2.899 230 T HA 0.318 4.668 4.350 0.000 0.000 0.284 230 T C 0.721 175.426 174.700 0.008 0.000 1.004 230 T CA -0.738 61.364 62.100 0.004 0.000 1.043 230 T CB 0.813 69.678 68.868 -0.006 0.000 1.013 230 T HN 0.088 nan 8.240 nan 0.000 0.518 231 V N 3.151 123.085 119.914 0.033 0.000 2.814 231 V HA 0.269 4.389 4.120 0.000 0.000 0.307 231 V C 0.869 177.007 176.094 0.073 0.000 1.089 231 V CA 0.376 62.724 62.300 0.080 0.000 1.212 231 V CB 0.127 32.046 31.823 0.160 0.000 0.912 231 V HN 1.224 nan 8.190 nan 0.000 0.497 232 S N 3.099 118.847 115.700 0.080 0.000 2.599 232 S HA 0.727 5.198 4.470 0.000 0.000 0.294 232 S C 0.764 175.430 174.600 0.109 0.000 1.094 232 S CA -0.236 57.995 58.200 0.053 0.000 0.931 232 S CB 1.967 65.162 63.200 -0.008 0.000 1.093 232 S HN 0.975 nan 8.310 nan 0.000 0.488 233 A N 1.658 124.517 122.820 0.065 0.000 1.978 233 A HA -0.061 4.259 4.320 0.000 0.000 0.220 233 A C 2.138 179.765 177.584 0.072 0.000 1.170 233 A CA 1.949 54.035 52.037 0.081 0.000 0.636 233 A CB -1.431 17.571 19.000 0.003 0.000 0.810 233 A HN 1.323 nan 8.150 nan 0.000 0.448 234 S N -0.097 115.604 115.700 0.002 0.000 2.507 234 S HA -0.109 4.361 4.470 0.000 0.000 0.235 234 S C 0.986 175.524 174.600 -0.103 0.000 0.988 234 S CA 1.115 59.289 58.200 -0.044 0.000 0.944 234 S CB -0.310 62.852 63.200 -0.062 0.000 0.762 234 S HN 0.523 nan 8.310 nan 0.000 0.526 235 D N 0.795 121.098 120.400 -0.161 0.000 2.277 235 D HA 0.108 4.748 4.640 0.000 0.000 0.208 235 D C 0.688 176.584 176.300 -0.673 0.000 0.962 235 D CA 0.792 54.514 54.000 -0.464 0.000 0.865 235 D CB -0.167 40.222 40.800 -0.685 0.000 0.939 235 D HN 0.586 nan 8.370 nan 0.000 0.510 236 F N -0.452 119.425 119.950 -0.122 0.000 2.728 236 F HA 0.286 4.813 4.527 0.000 0.000 0.314 236 F C 0.891 176.610 175.800 -0.135 0.000 1.094 236 F CA -0.243 57.661 58.000 -0.159 0.000 1.217 236 F CB 0.666 39.532 39.000 -0.223 0.000 1.056 236 F HN -0.257 nan 8.300 nan 0.000 0.577 237 L N 0.055 121.303 121.223 0.041 0.000 2.331 237 L HA 0.907 5.247 4.340 0.000 0.000 0.268 237 L C -0.151 176.706 176.870 -0.021 0.000 1.015 237 L CA -1.045 53.802 54.840 0.010 0.000 0.807 237 L CB 1.725 43.791 42.059 0.011 0.000 1.293 237 L HN -0.044 nan 8.230 nan 0.000 0.451 238 A N 0.585 123.396 122.820 -0.015 0.000 2.609 238 A HA 0.638 4.959 4.320 0.000 0.000 0.291 238 A C -2.440 175.137 177.584 -0.013 0.000 1.096 238 A CA -1.010 51.014 52.037 -0.022 0.000 0.684 238 A CB 1.085 20.072 19.000 -0.023 0.000 1.282 238 A HN 0.478 nan 8.150 nan 0.000 0.412 239 P HA -0.138 nan 4.420 nan 0.000 0.216 239 P C 1.453 178.752 177.300 -0.002 0.000 1.154 239 P CA 2.463 65.558 63.100 -0.009 0.000 0.865 239 P CB 0.223 31.917 31.700 -0.011 0.000 0.789 240 G N -1.519 107.280 108.800 -0.001 0.000 2.662 240 G HA2 -0.072 3.888 3.960 0.000 0.000 0.212 240 G HA3 -0.072 3.888 3.960 0.000 0.000 0.212 240 G C 0.522 175.429 174.900 0.010 0.000 1.141 240 G CA -0.065 45.038 45.100 0.005 0.000 0.797 240 G HN 0.234 nan 8.290 nan 0.000 0.531 241 K N 1.219 121.624 120.400 0.009 0.000 2.262 241 K HA 0.254 4.574 4.320 0.000 0.000 0.282 241 K C 0.089 176.701 176.600 0.019 0.000 1.066 241 K CA -0.143 56.155 56.287 0.018 0.000 0.901 241 K CB 0.720 33.230 32.500 0.016 0.000 1.089 241 K HN 0.113 nan 8.250 nan 0.000 0.476 242 E N 3.780 123.997 120.200 0.028 0.000 2.498 242 E HA 0.117 4.467 4.350 0.000 0.000 0.203 242 E C -0.461 176.162 176.600 0.037 0.000 1.013 242 E CA -0.059 56.356 56.400 0.025 0.000 0.927 242 E CB 0.600 30.314 29.700 0.023 0.000 1.012 242 E HN 0.422 nan 8.360 nan 0.000 0.482 243 L N 0.440 121.698 121.223 0.058 0.000 2.516 243 L HA 0.586 4.926 4.340 0.000 0.000 0.267 243 L C -0.825 176.107 176.870 0.104 0.000 0.957 243 L CA -0.525 54.371 54.840 0.093 0.000 0.860 243 L CB 1.594 43.733 42.059 0.132 0.000 1.265 243 L HN 0.060 nan 8.230 nan 0.000 0.403 244 G N 1.879 110.681 108.800 0.003 0.000 2.727 244 G HA2 0.866 4.826 3.960 0.000 0.000 0.289 244 G HA3 0.866 4.826 3.960 0.000 0.000 0.289 244 G C -0.928 173.508 174.900 -0.774 0.000 1.418 244 G CA -0.232 44.714 45.100 -0.256 0.000 0.818 244 G HN 0.993 nan 8.290 nan 0.000 0.486 245 G N -1.122 106.873 108.800 -1.342 0.000 2.324 245 G HA2 0.537 4.497 3.960 0.000 0.000 0.293 245 G HA3 0.537 4.497 3.960 0.000 0.000 0.293 245 G C -1.864 172.350 174.900 -1.143 0.000 1.297 245 G CA -0.254 43.961 45.100 -1.475 0.000 0.853 245 G HN 0.821 nan 8.290 nan 0.000 0.535 246 K N 0.026 120.089 120.400 -0.563 0.000 2.589 246 K HA 0.515 4.835 4.320 0.000 0.000 0.253 246 K C -1.572 175.105 176.600 0.129 0.000 0.974 246 K CA -0.689 55.559 56.287 -0.064 0.000 0.835 246 K CB 1.332 33.870 32.500 0.062 0.000 1.272 246 K HN 0.473 nan 8.250 nan 0.000 0.444 247 L N 4.666 126.073 121.223 0.306 0.000 2.287 247 L HA 0.459 4.799 4.340 0.000 0.000 0.287 247 L C -0.275 176.761 176.870 0.277 0.000 1.022 247 L CA -0.835 54.168 54.840 0.272 0.000 0.814 247 L CB 1.343 43.572 42.059 0.282 0.000 1.217 247 L HN 0.574 nan 8.230 nan 0.000 0.420 248 H N 3.311 122.452 119.070 0.118 0.000 2.600 248 H HA 0.764 5.320 4.556 0.000 0.000 0.357 248 H C -1.703 173.668 175.328 0.072 0.000 1.106 248 H CA -0.659 55.442 56.048 0.088 0.000 1.193 248 H CB 2.280 32.072 29.762 0.050 0.000 1.594 248 H HN 0.682 nan 8.280 nan 0.000 0.526 249 A N 3.652 126.135 122.820 -0.561 0.000 2.442 249 A HA 0.469 4.789 4.320 0.000 0.000 0.284 249 A C -1.054 176.262 177.584 -0.447 0.000 1.058 249 A CA -0.310 51.527 52.037 -0.334 0.000 0.738 249 A CB 1.036 20.072 19.000 0.059 0.000 1.242 249 A HN 0.712 nan 8.150 nan 0.000 0.421 250 S N 1.073 116.534 115.700 -0.397 0.000 2.570 250 S HA 0.940 5.410 4.470 0.000 0.000 0.286 250 S C -0.361 174.217 174.600 -0.037 0.000 1.099 250 S CA -0.256 57.839 58.200 -0.175 0.000 0.913 250 S CB 2.088 65.242 63.200 -0.077 0.000 1.085 250 S HN 1.511 nan 8.310 nan 0.000 0.480 251 T N -0.271 114.307 114.554 0.041 0.000 2.731 251 T HA 0.870 5.220 4.350 0.000 0.000 0.300 251 T C -0.521 174.221 174.700 0.071 0.000 1.283 251 T CA 0.104 62.260 62.100 0.093 0.000 1.005 251 T CB 1.177 70.137 68.868 0.154 0.000 1.420 251 T HN 1.846 nan 8.240 nan 0.000 0.503 252 G N 1.075 109.922 108.800 0.078 0.000 2.368 252 G HA2 0.487 4.447 3.960 0.000 0.000 0.293 252 G HA3 0.487 4.447 3.960 0.000 0.000 0.293 252 G C -1.591 173.352 174.900 0.071 0.000 1.467 252 G CA -0.154 44.985 45.100 0.065 0.000 0.804 252 G HN 0.910 nan 8.290 nan 0.000 0.535 253 D N -0.917 119.527 120.400 0.074 0.000 2.414 253 D HA 0.349 4.989 4.640 0.000 0.000 0.251 253 D C 0.652 177.007 176.300 0.092 0.000 1.252 253 D CA -0.371 53.684 54.000 0.092 0.000 0.999 253 D CB 0.300 41.156 40.800 0.093 0.000 1.093 253 D HN 0.632 nan 8.370 nan 0.000 0.515 254 N N -1.122 117.665 118.700 0.145 0.000 2.727 254 N HA -0.166 4.574 4.740 0.000 0.000 0.251 254 N C 0.910 176.474 175.510 0.089 0.000 1.040 254 N CA 1.971 55.139 53.050 0.196 0.000 0.712 254 N CB -1.342 37.278 38.487 0.221 0.000 0.912 254 N HN 1.086 nan 8.380 nan 0.000 0.545 255 G N -1.886 106.887 108.800 -0.045 0.000 2.225 255 G HA2 -0.288 3.672 3.960 0.000 0.000 0.254 255 G HA3 -0.288 3.672 3.960 0.000 0.000 0.254 255 G C 0.403 175.030 174.900 -0.455 0.000 0.988 255 G CA 0.512 45.435 45.100 -0.294 0.000 0.625 255 G HN 0.753 nan 8.290 nan 0.000 0.527 256 T N 2.191 116.622 114.554 -0.206 0.000 4.309 256 T HA 0.324 4.674 4.350 0.000 0.000 0.242 256 T C 1.547 176.234 174.700 -0.022 0.000 1.142 256 T CA 0.191 62.226 62.100 -0.108 0.000 1.042 256 T CB -0.152 68.701 68.868 -0.023 0.000 1.366 256 T HN 0.426 nan 8.240 nan 0.000 0.942 257 H N 1.122 120.254 119.070 0.104 0.000 2.290 257 H HA 0.066 4.622 4.556 0.000 0.000 0.298 257 H C 0.338 175.811 175.328 0.241 0.000 1.087 257 H CA 0.935 57.065 56.048 0.137 0.000 1.291 257 H CB 0.044 29.880 29.762 0.124 0.000 1.369 257 H HN 0.568 nan 8.280 nan 0.000 0.492 258 F N -0.811 119.241 119.950 0.170 0.000 2.654 258 F HA 0.405 4.932 4.527 0.000 0.000 0.314 258 F C -1.796 174.066 175.800 0.103 0.000 1.116 258 F CA -0.728 57.347 58.000 0.125 0.000 1.017 258 F CB 1.485 40.568 39.000 0.138 0.000 1.285 258 F HN -0.193 nan 8.300 nan 0.000 0.448 259 I N 5.952 126.065 120.570 -0.761 0.000 2.603 259 I HA 0.503 4.674 4.170 0.000 0.000 0.276 259 I C -0.322 175.364 176.117 -0.718 0.000 1.133 259 I CA -0.423 60.508 61.300 -0.615 0.000 1.070 259 I CB 1.414 39.280 38.000 -0.223 0.000 1.215 259 I HN 0.732 nan 8.210 nan 0.000 0.487 260 G N 2.849 111.088 108.800 -0.936 0.000 2.658 260 G HA2 0.854 4.814 3.960 0.000 0.000 0.292 260 G HA3 0.854 4.814 3.960 0.000 0.000 0.292 260 G C -1.113 173.759 174.900 -0.047 0.000 1.320 260 G CA -0.609 44.254 45.100 -0.395 0.000 0.933 260 G HN 0.500 nan 8.290 nan 0.000 0.476 261 S N -1.622 114.138 115.700 0.101 0.000 2.565 261 S HA 0.813 5.283 4.470 0.000 0.000 0.269 261 S C -0.556 174.117 174.600 0.123 0.000 1.153 261 S CA -0.300 57.964 58.200 0.106 0.000 0.835 261 S CB 1.710 64.953 63.200 0.073 0.000 1.122 261 S HN 1.744 nan 8.310 nan 0.000 0.462 262 G N 0.695 109.550 108.800 0.091 0.000 2.609 262 G HA2 0.695 4.655 3.960 0.000 0.000 0.308 262 G HA3 0.695 4.655 3.960 0.000 0.000 0.308 262 G C -1.172 173.731 174.900 0.005 0.000 1.369 262 G CA -0.807 44.339 45.100 0.076 0.000 0.958 262 G HN 0.793 nan 8.290 nan 0.000 0.499 263 I N 2.423 122.949 120.570 -0.075 0.000 2.447 263 I HA 0.398 4.568 4.170 0.000 0.000 0.287 263 I C -0.710 175.220 176.117 -0.313 0.000 1.023 263 I CA -0.632 60.521 61.300 -0.245 0.000 1.083 263 I CB 2.094 39.813 38.000 -0.467 0.000 1.245 263 I HN 0.106 nan 8.210 nan 0.000 0.434 264 L N 6.072 127.167 121.223 -0.212 0.000 2.356 264 L HA 0.857 5.197 4.340 0.000 0.000 0.277 264 L C -0.327 176.445 176.870 -0.164 0.000 0.996 264 L CA -0.526 54.233 54.840 -0.136 0.000 0.822 264 L CB 1.990 44.058 42.059 0.015 0.000 1.256 264 L HN 0.682 nan 8.230 nan 0.000 0.413 265 A N 4.719 127.433 122.820 -0.177 0.000 2.449 265 A HA 0.987 5.307 4.320 0.000 0.000 0.302 265 A C -1.158 176.404 177.584 -0.038 0.000 1.048 265 A CA -0.514 51.461 52.037 -0.104 0.000 0.708 265 A CB 1.934 20.877 19.000 -0.095 0.000 1.274 265 A HN 0.716 nan 8.150 nan 0.000 0.410 266 L N -0.640 120.570 121.223 -0.022 0.000 2.565 266 L HA 0.962 5.302 4.340 0.000 0.000 0.261 266 L C -0.386 176.471 176.870 -0.021 0.000 0.932 266 L CA -0.404 54.434 54.840 -0.003 0.000 0.878 266 L CB 1.768 43.836 42.059 0.015 0.000 1.333 266 L HN 1.453 nan 8.230 nan 0.000 0.409 267 G N 1.376 110.167 108.800 -0.015 0.000 2.556 267 G HA2 0.457 4.418 3.960 0.000 0.000 0.294 267 G HA3 0.457 4.418 3.960 0.000 0.000 0.294 267 G C -1.415 173.477 174.900 -0.013 0.000 1.516 267 G CA -0.286 44.798 45.100 -0.027 0.000 0.824 267 G HN 0.934 nan 8.290 nan 0.000 0.535 268 N N -0.137 118.557 118.700 -0.010 0.000 2.737 268 N HA 0.333 5.073 4.740 0.000 0.000 0.292 268 N C 0.690 176.200 175.510 0.000 0.000 1.367 268 N CA -0.148 52.902 53.050 0.001 0.000 0.818 268 N CB 0.480 38.973 38.487 0.010 0.000 1.109 268 N HN 0.344 nan 8.380 nan 0.000 0.466 269 E N -1.068 119.138 120.200 0.010 0.000 2.472 269 E HA 0.036 4.386 4.350 0.000 0.000 0.196 269 E C 0.768 177.383 176.600 0.025 0.000 1.033 269 E CA 0.705 57.112 56.400 0.012 0.000 0.886 269 E CB -0.094 29.614 29.700 0.014 0.000 0.944 269 E HN 0.797 nan 8.360 nan 0.000 0.492 270 T N -2.533 112.041 114.554 0.034 0.000 3.060 270 T HA 0.418 4.768 4.350 0.000 0.000 0.249 270 T C 0.881 175.622 174.700 0.067 0.000 1.079 270 T CA 0.346 62.486 62.100 0.067 0.000 1.013 270 T CB 0.867 69.785 68.868 0.084 0.000 0.975 270 T HN 0.132 nan 8.240 nan 0.000 0.518 271 G N 0.977 109.775 108.800 -0.002 0.000 2.325 271 G HA2 0.482 4.442 3.960 0.000 0.000 0.295 271 G HA3 0.482 4.442 3.960 0.000 0.000 0.295 271 G C -2.461 172.370 174.900 -0.115 0.000 1.274 271 G CA -0.246 44.799 45.100 -0.092 0.000 0.857 271 G HN 0.604 nan 8.290 nan 0.000 0.499 272 D N -1.922 118.361 120.400 -0.194 0.000 2.722 272 D HA 0.512 5.152 4.640 0.000 0.000 0.231 272 D C -1.518 174.671 176.300 -0.185 0.000 1.218 272 D CA -0.401 53.513 54.000 -0.144 0.000 0.753 272 D CB 1.380 42.125 40.800 -0.090 0.000 1.471 272 D HN 0.972 nan 8.370 nan 0.000 0.455 273 I N 0.618 121.111 120.570 -0.127 0.000 2.465 273 I HA 0.634 4.805 4.170 0.000 0.000 0.291 273 I C -1.896 174.178 176.117 -0.072 0.000 1.014 273 I CA -0.970 60.260 61.300 -0.116 0.000 1.093 273 I CB 1.667 39.608 38.000 -0.098 0.000 1.267 273 I HN 0.566 nan 8.210 nan 0.000 0.431 274 L N 8.683 129.870 121.223 -0.060 0.000 2.343 274 L HA 0.567 4.907 4.340 0.000 0.000 0.278 274 L C -1.890 174.962 176.870 -0.030 0.000 0.996 274 L CA -0.538 54.275 54.840 -0.045 0.000 0.831 274 L CB 1.307 43.352 42.059 -0.024 0.000 1.232 274 L HN 0.635 nan 8.230 nan 0.000 0.413 275 L N 4.764 125.965 121.223 -0.037 0.000 2.329 275 L HA 0.892 5.232 4.340 0.000 0.000 0.279 275 L C -0.196 176.657 176.870 -0.027 0.000 1.014 275 L CA -0.444 54.388 54.840 -0.013 0.000 0.814 275 L CB 1.851 43.909 42.059 -0.001 0.000 1.257 275 L HN 0.773 nan 8.230 nan 0.000 0.424 276 A N 2.504 125.323 122.820 -0.001 0.000 2.609 276 A HA 0.985 5.305 4.320 0.000 0.000 0.291 276 A C -1.618 175.983 177.584 0.029 0.000 1.096 276 A CA -0.240 51.795 52.037 -0.004 0.000 0.684 276 A CB 2.065 21.052 19.000 -0.021 0.000 1.282 276 A HN 0.851 nan 8.150 nan 0.000 0.412 277 A N 0.152 122.995 122.820 0.038 0.000 2.594 277 A HA 0.857 5.177 4.320 0.000 0.000 0.296 277 A C -0.595 177.030 177.584 0.068 0.000 1.061 277 A CA 0.246 52.319 52.037 0.061 0.000 0.689 277 A CB 1.096 20.142 19.000 0.077 0.000 1.280 277 A HN 2.384 nan 8.150 nan 0.000 0.406 278 S N 1.043 116.784 115.700 0.068 0.000 2.541 278 S HA 0.814 5.284 4.470 0.000 0.000 0.280 278 S C -1.340 173.294 174.600 0.058 0.000 1.112 278 S CA -0.727 57.505 58.200 0.053 0.000 0.925 278 S CB 1.972 65.179 63.200 0.011 0.000 1.067 278 S HN 0.599 nan 8.310 nan 0.000 0.479 279 E N 1.580 121.820 120.200 0.067 0.000 2.199 279 E HA 0.383 4.733 4.350 0.000 0.000 0.265 279 E C -0.886 175.644 176.600 -0.116 0.000 0.882 279 E CA -0.422 56.023 56.400 0.075 0.000 0.759 279 E CB 2.329 32.304 29.700 0.459 0.000 1.148 279 E HN 0.723 nan 8.360 nan 0.000 0.412 280 R N 3.128 123.418 120.500 -0.350 0.000 2.388 280 R HA 0.377 4.718 4.340 0.000 0.000 0.314 280 R C -1.307 174.644 176.300 -0.583 0.000 0.959 280 R CA -0.536 55.345 56.100 -0.365 0.000 0.851 280 R CB 0.521 30.645 30.300 -0.293 0.000 1.168 280 R HN 0.488 nan 8.270 nan 0.000 0.472 281 H N 4.618 123.638 119.070 -0.083 0.000 2.708 281 H HA 0.388 4.944 4.556 0.000 0.000 0.320 281 H C -0.851 174.465 175.328 -0.019 0.000 0.991 281 H CA -0.417 55.616 56.048 -0.025 0.000 1.243 281 H CB 1.462 31.316 29.762 0.153 0.000 1.446 281 H HN 0.319 nan 8.280 nan 0.000 0.502 282 L N 2.171 123.353 121.223 -0.069 0.000 2.381 282 L HA 0.727 5.067 4.340 0.000 0.000 0.268 282 L C 0.671 177.578 176.870 0.062 0.000 0.997 282 L CA -0.898 53.879 54.840 -0.105 0.000 0.818 282 L CB 2.328 44.241 42.059 -0.245 0.000 1.310 282 L HN 0.695 nan 8.230 nan 0.000 0.416 283 G N -0.252 108.502 108.800 -0.077 0.000 2.597 283 G HA2 0.445 4.405 3.960 0.000 0.000 0.317 283 G HA3 0.445 4.405 3.960 0.000 0.000 0.317 283 G C -1.150 173.817 174.900 0.111 0.000 1.230 283 G CA -0.587 44.593 45.100 0.133 0.000 0.996 283 G HN 0.492 nan 8.290 nan 0.000 0.490 284 D N 0.019 120.479 120.400 0.100 0.000 2.525 284 D HA 0.240 4.880 4.640 0.000 0.000 0.235 284 D C -0.156 176.089 176.300 -0.091 0.000 1.137 284 D CA 0.967 54.943 54.000 -0.040 0.000 0.868 284 D CB 0.502 41.225 40.800 -0.128 0.000 1.180 284 D HN 0.389 nan 8.370 nan 0.000 0.465 285 Y N -1.380 118.834 120.300 -0.143 0.000 2.587 285 Y HA 0.644 5.194 4.550 0.000 0.000 0.337 285 Y C -0.823 174.977 175.900 -0.167 0.000 1.065 285 Y CA -1.718 56.315 58.100 -0.110 0.000 1.126 285 Y CB 0.606 39.059 38.460 -0.012 0.000 1.279 285 Y HN 0.246 nan 8.280 nan 0.000 0.489 286 W N 3.175 124.605 121.300 0.217 0.000 2.316 286 W HA 0.526 5.186 4.660 0.000 0.000 0.311 286 W C -2.236 174.441 176.519 0.262 0.000 1.217 286 W CA -1.521 55.912 57.345 0.146 0.000 1.199 286 W CB 0.712 30.242 29.460 0.117 0.000 1.202 286 W HN 0.374 nan 8.180 nan 0.000 0.528 287 P HA 0.128 nan 4.420 nan 0.000 0.293 287 P C 0.541 178.019 177.300 0.297 0.000 1.298 287 P CA -0.336 62.961 63.100 0.327 0.000 0.757 287 P CB 0.365 32.186 31.700 0.203 0.000 1.262 288 G N -0.670 108.275 108.800 0.240 0.000 2.683 288 G HA2 0.043 4.003 3.960 0.000 0.000 0.260 288 G HA3 0.043 4.003 3.960 0.000 0.000 0.260 288 G C 0.485 175.497 174.900 0.188 0.000 1.238 288 G CA 0.120 45.356 45.100 0.226 0.000 0.934 288 G HN 0.540 nan 8.290 nan 0.000 0.534 289 N N -2.188 116.606 118.700 0.157 0.000 2.428 289 N HA 0.049 4.789 4.740 0.000 0.000 0.249 289 N C 0.088 175.662 175.510 0.108 0.000 1.092 289 N CA 0.293 53.416 53.050 0.121 0.000 0.833 289 N CB 0.516 39.056 38.487 0.089 0.000 1.575 289 N HN 0.262 nan 8.380 nan 0.000 0.476 290 K N 0.946 121.415 120.400 0.115 0.000 2.098 290 K HA 0.644 4.965 4.320 0.000 0.000 0.258 290 K C 0.540 177.217 176.600 0.128 0.000 0.973 290 K CA -0.168 56.183 56.287 0.106 0.000 0.898 290 K CB 0.766 33.324 32.500 0.098 0.000 1.057 290 K HN 0.348 nan 8.250 nan 0.000 0.447 291 G N 1.769 110.640 108.800 0.118 0.000 2.710 291 G HA2 -0.153 3.807 3.960 0.000 0.000 0.668 291 G HA3 -0.153 3.807 3.960 0.000 0.000 0.668 291 G C -1.429 173.553 174.900 0.136 0.000 1.320 291 G CA -0.808 44.372 45.100 0.133 0.000 0.860 291 G HN 0.495 nan 8.290 nan 0.000 0.538 292 D N -0.275 120.213 120.400 0.147 0.000 2.277 292 D HA 0.745 5.385 4.640 0.000 0.000 0.250 292 D C 1.313 177.719 176.300 0.176 0.000 1.032 292 D CA 0.446 54.539 54.000 0.155 0.000 0.947 292 D CB 1.615 42.503 40.800 0.147 0.000 1.159 292 D HN 0.839 nan 8.370 nan 0.000 0.460 293 I N -3.380 117.299 120.570 0.181 0.000 3.971 293 I HA 0.646 4.816 4.170 0.000 0.000 0.253 293 I C 0.642 176.854 176.117 0.158 0.000 1.103 293 I CA -1.392 60.012 61.300 0.174 0.000 1.343 293 I CB 0.335 38.425 38.000 0.151 0.000 1.364 293 I HN 0.275 nan 8.210 nan 0.000 0.444 294 G N 1.160 110.034 108.800 0.124 0.000 2.287 294 G HA2 -0.019 3.941 3.960 0.000 0.000 0.235 294 G HA3 -0.019 3.941 3.960 0.000 0.000 0.235 294 G C -0.057 174.893 174.900 0.082 0.000 1.258 294 G CA 0.380 45.514 45.100 0.057 0.000 0.884 294 G HN 0.802 nan 8.290 nan 0.000 0.518 295 N N 1.011 119.685 118.700 -0.044 0.000 2.239 295 N HA 0.032 4.772 4.740 0.000 0.000 0.208 295 N C 1.679 177.062 175.510 -0.212 0.000 1.200 295 N CA -0.049 52.904 53.050 -0.161 0.000 0.895 295 N CB 0.277 38.667 38.487 -0.162 0.000 1.085 295 N HN 0.348 nan 8.380 nan 0.000 0.500 296 I N 0.017 120.473 120.570 -0.191 0.000 2.556 296 I HA 0.147 4.317 4.170 0.000 0.000 0.251 296 I C 2.217 178.226 176.117 -0.180 0.000 1.105 296 I CA 0.556 61.729 61.300 -0.211 0.000 1.436 296 I CB -0.969 36.867 38.000 -0.274 0.000 1.139 296 I HN 0.105 nan 8.210 nan 0.000 0.438 297 R N 2.143 122.536 120.500 -0.179 0.000 2.062 297 R HA 0.055 4.395 4.340 0.000 0.000 0.231 297 R C 0.778 177.015 176.300 -0.104 0.000 1.136 297 R CA 1.347 57.356 56.100 -0.153 0.000 0.948 297 R CB -0.690 29.510 30.300 -0.166 0.000 0.845 297 R HN 0.248 nan 8.270 nan 0.000 0.430 298 I N 2.035 122.583 120.570 -0.036 0.000 2.291 298 I HA 0.252 4.422 4.170 0.000 0.000 0.290 298 I C -0.378 175.835 176.117 0.161 0.000 1.050 298 I CA -0.504 60.837 61.300 0.068 0.000 1.245 298 I CB 0.618 38.710 38.000 0.153 0.000 1.405 298 I HN 0.418 nan 8.210 nan 0.000 0.478 299 N N 4.362 123.124 118.700 0.102 0.000 3.631 299 N HA 0.125 4.865 4.740 0.000 0.000 0.366 299 N C 0.009 175.549 175.510 0.050 0.000 1.369 299 N CA -0.520 52.527 53.050 -0.004 0.000 0.757 299 N CB 0.406 38.781 38.487 -0.187 0.000 2.886 299 N HN 0.535 nan 8.380 nan 0.000 0.480 300 N N -0.843 117.844 118.700 -0.022 0.000 2.946 300 N HA -0.244 4.496 4.740 0.000 0.000 0.223 300 N C -1.125 174.415 175.510 0.051 0.000 0.850 300 N CA 1.319 54.373 53.050 0.007 0.000 1.057 300 N CB -0.890 37.604 38.487 0.011 0.000 1.020 300 N HN 0.701 nan 8.380 nan 0.000 0.616 301 D N -1.753 118.715 120.400 0.114 0.000 3.068 301 D HA -0.172 4.468 4.640 0.000 0.000 0.219 301 D C 0.395 176.765 176.300 0.116 0.000 1.175 301 D CA 1.911 55.991 54.000 0.134 0.000 0.942 301 D CB -1.937 38.910 40.800 0.079 0.000 1.127 301 D HN 0.728 nan 8.370 nan 0.000 0.404 302 T N -2.356 112.273 114.554 0.125 0.000 4.578 302 T HA 0.448 4.798 4.350 0.000 0.000 0.236 302 T C 1.234 176.048 174.700 0.190 0.000 1.038 302 T CA 0.345 62.515 62.100 0.117 0.000 1.067 302 T CB 0.092 69.009 68.868 0.082 0.000 1.390 302 T HN 0.662 nan 8.240 nan 0.000 1.076 303 G N 1.446 110.341 108.800 0.158 0.000 2.276 303 G HA2 -0.077 3.883 3.960 0.000 0.000 0.177 303 G HA3 -0.077 3.883 3.960 0.000 0.000 0.177 303 G C -0.246 174.553 174.900 -0.168 0.000 1.017 303 G CA -0.587 44.599 45.100 0.144 0.000 0.750 303 G HN 0.729 nan 8.290 nan 0.000 0.506 304 N N -1.763 116.892 118.700 -0.074 0.000 2.695 304 N HA -0.191 4.549 4.740 0.000 0.000 0.281 304 N C 0.238 175.634 175.510 -0.189 0.000 1.648 304 N CA 0.990 53.956 53.050 -0.140 0.000 1.250 304 N CB -1.355 37.003 38.487 -0.215 0.000 0.876 304 N HN 0.731 nan 8.380 nan 0.000 0.473 305 Y N 2.014 122.289 120.300 -0.041 0.000 2.200 305 Y HA -0.129 4.421 4.550 0.000 0.000 0.290 305 Y C 1.581 177.491 175.900 0.016 0.000 1.137 305 Y CA 1.822 59.965 58.100 0.072 0.000 1.163 305 Y CB 0.133 38.635 38.460 0.069 0.000 0.988 305 Y HN 0.498 nan 8.280 nan 0.000 0.518 306 D N 0.375 120.675 120.400 -0.166 0.000 2.133 306 D HA -0.213 4.427 4.640 0.000 0.000 0.195 306 D C 2.164 178.306 176.300 -0.263 0.000 0.997 306 D CA 1.512 55.365 54.000 -0.245 0.000 0.840 306 D CB -0.372 40.394 40.800 -0.057 0.000 0.947 306 D HN 0.387 nan 8.370 nan 0.000 0.452 307 R N -0.742 119.603 120.500 -0.258 0.000 2.075 307 R HA -0.138 4.202 4.340 0.000 0.000 0.232 307 R C 2.144 178.329 176.300 -0.191 0.000 1.126 307 R CA 0.868 56.826 56.100 -0.237 0.000 0.963 307 R CB -0.139 29.984 30.300 -0.294 0.000 0.858 307 R HN 0.180 nan 8.270 nan 0.000 0.435 308 Y N 0.216 120.418 120.300 -0.163 0.000 2.114 308 Y HA -0.136 4.414 4.550 0.000 0.000 0.284 308 Y C 2.445 178.219 175.900 -0.209 0.000 1.143 308 Y CA 1.048 59.050 58.100 -0.164 0.000 1.135 308 Y CB -0.991 37.384 38.460 -0.141 0.000 0.980 308 Y HN 0.174 nan 8.280 nan 0.000 0.499 309 A N -0.098 122.596 122.820 -0.210 0.000 1.908 309 A HA -0.278 4.042 4.320 0.000 0.000 0.218 309 A C 2.241 179.771 177.584 -0.090 0.000 1.181 309 A CA 2.059 53.956 52.037 -0.233 0.000 0.627 309 A CB -0.817 17.865 19.000 -0.530 0.000 0.818 309 A HN 0.552 nan 8.150 nan 0.000 0.445 310 E N 0.154 120.298 120.200 -0.094 0.000 2.152 310 E HA -0.142 4.208 4.350 0.000 0.000 0.192 310 E C 2.135 178.749 176.600 0.022 0.000 0.983 310 E CA 1.265 57.651 56.400 -0.024 0.000 0.818 310 E CB -0.100 29.578 29.700 -0.035 0.000 0.758 310 E HN 0.753 nan 8.360 nan 0.000 0.467 311 S N 0.239 115.951 115.700 0.021 0.000 2.402 311 S HA -0.115 4.356 4.470 0.000 0.000 0.229 311 S C 1.982 176.632 174.600 0.083 0.000 1.021 311 S CA 0.822 59.055 58.200 0.055 0.000 0.974 311 S CB -0.378 62.856 63.200 0.057 0.000 0.800 311 S HN 0.313 nan 8.310 nan 0.000 0.484 312 I N 1.356 121.970 120.570 0.073 0.000 2.406 312 I HA -0.050 4.120 4.170 0.000 0.000 0.249 312 I C 2.422 178.631 176.117 0.152 0.000 1.122 312 I CA 1.006 62.376 61.300 0.118 0.000 1.431 312 I CB -0.205 37.850 38.000 0.092 0.000 1.087 312 I HN 0.258 nan 8.210 nan 0.000 0.424 313 K N 0.839 121.313 120.400 0.124 0.000 2.365 313 K HA -0.066 4.254 4.320 0.000 0.000 0.199 313 K C 0.515 177.225 176.600 0.184 0.000 1.045 313 K CA 0.974 57.347 56.287 0.144 0.000 0.962 313 K CB -0.173 32.392 32.500 0.108 0.000 0.759 313 K HN 0.376 nan 8.250 nan 0.000 0.469 314 N N 0.629 119.442 118.700 0.187 0.000 2.401 314 N HA 0.113 4.853 4.740 0.000 0.000 0.264 314 N C -1.201 174.540 175.510 0.384 0.000 1.238 314 N CA -0.228 52.966 53.050 0.241 0.000 0.889 314 N CB 0.550 39.122 38.487 0.142 0.000 1.196 314 N HN -0.009 nan 8.380 nan 0.000 0.511 315 N N 0.648 119.561 118.700 0.355 0.000 2.371 315 N HA 0.159 4.900 4.740 0.000 0.000 0.280 315 N C -0.970 174.499 175.510 -0.068 0.000 1.084 315 N CA -0.574 52.602 53.050 0.210 0.000 0.892 315 N CB 1.732 40.294 38.487 0.125 0.000 1.653 315 N HN -0.017 nan 8.380 nan 0.000 0.480 316 K N 0.958 121.012 120.400 -0.577 0.000 2.559 316 K HA 0.072 4.392 4.320 0.000 0.000 0.279 316 K C 0.307 176.679 176.600 -0.379 0.000 0.967 316 K CA 0.171 56.058 56.287 -0.668 0.000 1.000 316 K CB 0.622 32.618 32.500 -0.840 0.000 0.890 316 K HN 0.380 nan 8.250 nan 0.000 0.501 317 I N 5.184 125.433 120.570 -0.535 0.000 2.363 317 I HA 0.023 4.193 4.170 0.000 0.000 0.292 317 I C -1.479 174.362 176.117 -0.460 0.000 1.075 317 I CA -2.290 58.674 61.300 -0.561 0.000 1.333 317 I CB 0.067 37.556 38.000 -0.852 0.000 1.415 317 I HN 0.408 nan 8.210 nan 0.000 0.502 318 P HA -0.220 nan 4.420 nan 0.000 0.230 318 P C 0.176 177.412 177.300 -0.107 0.000 0.853 318 P CA 1.489 64.521 63.100 -0.114 0.000 1.096 318 P CB 0.182 31.885 31.700 0.005 0.000 0.677 319 D N -1.257 119.070 120.400 -0.121 0.000 3.057 319 D HA 0.064 4.704 4.640 0.000 0.000 0.246 319 D C 0.988 177.175 176.300 -0.189 0.000 1.238 319 D CA 0.361 54.300 54.000 -0.102 0.000 0.949 319 D CB -0.644 40.099 40.800 -0.095 0.000 1.086 319 D HN 0.326 nan 8.370 nan 0.000 0.487 320 T N -3.413 111.061 114.554 -0.133 0.000 3.051 320 T HA -0.089 4.261 4.350 0.000 0.000 0.255 320 T C 1.199 175.969 174.700 0.116 0.000 1.085 320 T CA -0.022 62.056 62.100 -0.036 0.000 1.109 320 T CB -0.168 68.685 68.868 -0.026 0.000 0.921 320 T HN 0.410 nan 8.240 nan 0.000 0.488 321 H N 1.152 120.277 119.070 0.092 0.000 2.790 321 H HA 0.386 4.942 4.556 0.000 0.000 0.358 321 H C -0.429 175.027 175.328 0.215 0.000 1.103 321 H CA -0.259 55.869 56.048 0.133 0.000 1.426 321 H CB 0.155 29.979 29.762 0.103 0.000 1.424 321 H HN 0.575 nan 8.280 nan 0.000 0.599 322 Y N 0.142 120.479 120.300 0.060 0.000 2.741 322 Y HA 0.502 5.052 4.550 0.000 0.000 0.339 322 Y C -1.801 174.111 175.900 0.020 0.000 1.226 322 Y CA -1.458 56.623 58.100 -0.031 0.000 1.072 322 Y CB 1.100 39.479 38.460 -0.134 0.000 1.331 322 Y HN 0.881 nan 8.280 nan 0.000 0.453 323 R N 2.949 123.460 120.500 0.018 0.000 2.686 323 R HA 0.861 5.201 4.340 0.000 0.000 0.283 323 R C -1.428 174.751 176.300 -0.202 0.000 0.978 323 R CA -1.080 54.880 56.100 -0.233 0.000 0.897 323 R CB 2.630 32.893 30.300 -0.062 0.000 1.192 323 R HN 0.998 nan 8.270 nan 0.000 0.457 324 M N 0.653 119.969 119.600 -0.473 0.000 2.322 324 M HA 0.474 4.954 4.480 0.000 0.000 0.286 324 M C -1.779 174.215 176.300 -0.510 0.000 1.111 324 M CA -0.785 54.312 55.300 -0.339 0.000 0.941 324 M CB 2.610 35.190 32.600 -0.034 0.000 1.671 324 M HN 0.631 nan 8.290 nan 0.000 0.470 325 H N 1.769 120.808 119.070 -0.052 0.000 2.481 325 H HA 0.648 5.204 4.556 0.000 0.000 0.333 325 H C -1.060 174.256 175.328 -0.020 0.000 1.066 325 H CA -0.825 55.208 56.048 -0.026 0.000 1.209 325 H CB 1.832 31.601 29.762 0.011 0.000 1.445 325 H HN 0.809 nan 8.280 nan 0.000 0.488 326 S N 3.365 119.112 115.700 0.078 0.000 2.566 326 S HA 0.634 5.104 4.470 0.000 0.000 0.298 326 S C -0.205 174.427 174.600 0.054 0.000 1.083 326 S CA -1.093 57.129 58.200 0.037 0.000 0.978 326 S CB 2.227 65.424 63.200 -0.006 0.000 1.073 326 S HN 0.674 nan 8.310 nan 0.000 0.491 327 R N 1.087 121.613 120.500 0.042 0.000 2.535 327 R HA 0.645 4.985 4.340 0.000 0.000 0.274 327 R C -2.076 174.258 176.300 0.056 0.000 1.090 327 R CA -0.847 55.289 56.100 0.060 0.000 0.930 327 R CB 0.834 31.187 30.300 0.088 0.000 1.223 327 R HN 0.456 nan 8.270 nan 0.000 0.441 328 L N 1.618 122.870 121.223 0.049 0.000 2.333 328 L HA 0.915 5.255 4.340 0.000 0.000 0.269 328 L C -1.243 175.672 176.870 0.076 0.000 1.010 328 L CA -0.476 54.392 54.840 0.048 0.000 0.818 328 L CB 2.209 44.278 42.059 0.017 0.000 1.306 328 L HN 0.980 nan 8.230 nan 0.000 0.430 329 A N 3.608 126.489 122.820 0.102 0.000 2.456 329 A HA 0.710 5.030 4.320 0.000 0.000 0.288 329 A C -1.350 176.281 177.584 0.077 0.000 1.042 329 A CA -0.694 51.395 52.037 0.088 0.000 0.738 329 A CB 0.946 20.015 19.000 0.115 0.000 1.266 329 A HN 0.605 nan 8.150 nan 0.000 0.407 330 K N 1.500 121.915 120.400 0.026 0.000 2.426 330 K HA 0.648 4.968 4.320 0.000 0.000 0.254 330 K C -1.346 175.215 176.600 -0.065 0.000 0.936 330 K CA -0.702 55.587 56.287 0.003 0.000 0.801 330 K CB 2.742 35.239 32.500 -0.005 0.000 1.139 330 K HN 0.373 nan 8.250 nan 0.000 0.424 331 V N 1.831 121.682 119.914 -0.105 0.000 2.444 331 V HA 0.580 4.700 4.120 0.000 0.000 0.294 331 V C 0.068 175.892 176.094 -0.450 0.000 1.022 331 V CA -0.745 61.364 62.300 -0.319 0.000 0.850 331 V CB 1.730 33.330 31.823 -0.370 0.000 0.992 331 V HN 0.937 nan 8.190 nan 0.000 0.426 332 G N 3.874 112.366 108.800 -0.514 0.000 2.495 332 G HA2 0.653 4.613 3.960 0.000 0.000 0.318 332 G HA3 0.653 4.613 3.960 0.000 0.000 0.318 332 G C -1.411 173.224 174.900 -0.442 0.000 1.257 332 G CA -0.475 44.428 45.100 -0.329 0.000 0.962 332 G HN 0.538 nan 8.290 nan 0.000 0.483 333 W N 1.367 122.690 121.300 0.038 0.000 2.587 333 W HA 0.335 4.995 4.660 0.000 0.000 0.324 333 W C -0.718 175.820 176.519 0.032 0.000 1.040 333 W CA -0.945 56.426 57.345 0.043 0.000 1.222 333 W CB 2.188 31.688 29.460 0.066 0.000 1.381 333 W HN 0.301 nan 8.180 nan 0.000 0.483 334 N N 3.386 122.209 118.700 0.206 0.000 2.457 334 N HA 0.354 5.094 4.740 0.000 0.000 0.250 334 N C -0.593 174.996 175.510 0.131 0.000 0.982 334 N CA -0.360 52.765 53.050 0.125 0.000 0.941 334 N CB 1.442 39.966 38.487 0.061 0.000 1.120 334 N HN 0.067 nan 8.380 nan 0.000 0.505 335 L N 3.114 124.410 121.223 0.121 0.000 2.358 335 L HA 0.609 4.949 4.340 0.000 0.000 0.268 335 L C -1.693 175.217 176.870 0.067 0.000 1.032 335 L CA -1.931 52.972 54.840 0.105 0.000 0.805 335 L CB 0.271 42.407 42.059 0.127 0.000 1.253 335 L HN 0.338 nan 8.230 nan 0.000 0.452 336 P HA 0.181 nan 4.420 nan 0.000 0.272 336 P C 0.145 177.462 177.300 0.029 0.000 1.243 336 P CA 0.935 64.058 63.100 0.039 0.000 0.803 336 P CB 0.318 32.041 31.700 0.039 0.000 0.974 337 A N 0.431 123.260 122.820 0.015 0.000 5.002 337 A HA -0.287 4.033 4.320 0.000 0.000 0.326 337 A C 0.801 178.376 177.584 -0.015 0.000 1.875 337 A CA 1.832 53.867 52.037 -0.002 0.000 0.708 337 A CB -2.107 16.893 19.000 -0.001 0.000 1.371 337 A HN 0.618 nan 8.150 nan 0.000 0.378 338 N N 0.249 118.933 118.700 -0.026 0.000 2.635 338 N HA 0.293 5.033 4.740 0.000 0.000 0.252 338 N C -0.947 174.521 175.510 -0.071 0.000 1.589 338 N CA 0.408 53.431 53.050 -0.046 0.000 0.828 338 N CB 0.297 38.746 38.487 -0.063 0.000 1.403 338 N HN 0.670 nan 8.380 nan 0.000 0.518 339 Q N 0.375 120.152 119.800 -0.038 0.000 2.214 339 Q HA 0.539 4.879 4.340 0.000 0.000 0.251 339 Q C -0.472 175.506 176.000 -0.037 0.000 0.936 339 Q CA -0.708 55.054 55.803 -0.068 0.000 0.894 339 Q CB 2.086 30.867 28.738 0.072 0.000 1.252 339 Q HN 0.007 nan 8.270 nan 0.000 0.448 340 R N 2.075 122.519 120.500 -0.093 0.000 2.569 340 R HA 0.297 4.637 4.340 0.000 0.000 0.293 340 R C -1.885 174.454 176.300 0.065 0.000 1.186 340 R CA -0.438 55.659 56.100 -0.006 0.000 0.956 340 R CB 0.860 31.116 30.300 -0.074 0.000 1.196 340 R HN 0.558 nan 8.270 nan 0.000 0.444 341 L N 3.202 124.564 121.223 0.231 0.000 2.292 341 L HA 0.500 4.840 4.340 0.000 0.000 0.284 341 L C 0.132 177.179 176.870 0.295 0.000 1.065 341 L CA 0.013 55.014 54.840 0.268 0.000 0.806 341 L CB 1.414 43.713 42.059 0.400 0.000 1.175 341 L HN 0.564 nan 8.230 nan 0.000 0.431 342 Q N 3.722 123.584 119.800 0.104 0.000 2.263 342 Q HA 0.474 4.814 4.340 0.000 0.000 0.266 342 Q C -1.692 174.399 176.000 0.152 0.000 1.002 342 Q CA -0.543 55.326 55.803 0.110 0.000 0.790 342 Q CB 2.255 30.997 28.738 0.006 0.000 1.272 342 Q HN 0.560 nan 8.270 nan 0.000 0.435 343 L N 2.776 124.155 121.223 0.259 0.000 2.289 343 L HA 0.584 4.924 4.340 0.000 0.000 0.285 343 L C -0.309 176.668 176.870 0.177 0.000 1.049 343 L CA -0.453 54.560 54.840 0.288 0.000 0.804 343 L CB 1.664 43.949 42.059 0.377 0.000 1.195 343 L HN 0.657 nan 8.230 nan 0.000 0.428 344 S N 2.305 118.118 115.700 0.188 0.000 2.547 344 S HA 0.590 5.060 4.470 0.000 0.000 0.281 344 S C -1.301 173.433 174.600 0.222 0.000 1.118 344 S CA -0.760 57.532 58.200 0.152 0.000 0.947 344 S CB 1.796 65.047 63.200 0.084 0.000 1.053 344 S HN 0.479 nan 8.310 nan 0.000 0.482 345 Y N 2.840 123.177 120.300 0.062 0.000 2.346 345 Y HA 0.687 5.237 4.550 0.000 0.000 0.332 345 Y C -1.729 174.194 175.900 0.038 0.000 0.985 345 Y CA -1.134 57.004 58.100 0.062 0.000 1.112 345 Y CB 1.496 39.996 38.460 0.067 0.000 1.170 345 Y HN 0.883 nan 8.280 nan 0.000 0.447 346 L N 6.610 127.541 121.223 -0.487 0.000 2.325 346 L HA 0.550 4.890 4.340 0.000 0.000 0.281 346 L C -1.282 175.250 176.870 -0.563 0.000 1.004 346 L CA -0.310 54.305 54.840 -0.374 0.000 0.823 346 L CB 1.700 43.638 42.059 -0.203 0.000 1.236 346 L HN 0.763 nan 8.230 nan 0.000 0.415 347 Q N 3.014 122.599 119.800 -0.359 0.000 2.333 347 Q HA 0.602 4.942 4.340 0.000 0.000 0.267 347 Q C -1.369 174.573 176.000 -0.097 0.000 1.012 347 Q CA -0.485 55.182 55.803 -0.225 0.000 0.824 347 Q CB 1.779 30.508 28.738 -0.014 0.000 1.290 347 Q HN 0.714 nan 8.270 nan 0.000 0.449 348 T N 2.911 117.405 114.554 -0.101 0.000 3.050 348 T HA 0.238 4.588 4.350 0.000 0.000 0.310 348 T C -1.497 173.148 174.700 -0.091 0.000 0.978 348 T CA -0.486 61.571 62.100 -0.072 0.000 1.013 348 T CB 1.323 70.140 68.868 -0.085 0.000 1.000 348 T HN 0.708 nan 8.240 nan 0.000 0.447 349 Q N 3.635 123.417 119.800 -0.029 0.000 2.290 349 Q HA 0.621 4.961 4.340 0.000 0.000 0.259 349 Q C -1.065 174.914 176.000 -0.035 0.000 0.941 349 Q CA -0.465 55.317 55.803 -0.035 0.000 0.912 349 Q CB 1.264 30.038 28.738 0.061 0.000 1.244 349 Q HN 0.673 nan 8.270 nan 0.000 0.441 350 T N 2.054 116.513 114.554 -0.159 0.000 2.876 350 T HA 0.803 5.153 4.350 0.000 0.000 0.289 350 T C -1.434 173.203 174.700 -0.106 0.000 1.014 350 T CA -0.588 61.427 62.100 -0.142 0.000 0.986 350 T CB 1.648 70.350 68.868 -0.276 0.000 1.021 350 T HN 0.664 nan 8.240 nan 0.000 0.458 351 A N 1.860 124.681 122.820 0.001 0.000 2.427 351 A HA 0.872 5.192 4.320 0.000 0.000 0.298 351 A C -0.499 177.046 177.584 -0.066 0.000 1.036 351 A CA -0.743 51.302 52.037 0.013 0.000 0.701 351 A CB 1.728 20.848 19.000 0.200 0.000 1.250 351 A HN 0.765 nan 8.150 nan 0.000 0.412 352 S N 2.131 117.597 115.700 -0.390 0.000 2.547 352 S HA 0.797 5.267 4.470 0.000 0.000 0.270 352 S C -3.330 170.678 174.600 -0.986 0.000 1.150 352 S CA -0.971 56.909 58.200 -0.533 0.000 0.850 352 S CB 1.826 64.854 63.200 -0.287 0.000 1.118 352 S HN 0.357 nan 8.310 nan 0.000 0.461 353 P HA 0.405 nan 4.420 nan 0.000 0.275 353 P C -0.919 176.212 177.300 -0.283 0.000 1.228 353 P CA -0.280 62.521 63.100 -0.498 0.000 0.786 353 P CB 0.244 31.870 31.700 -0.124 0.000 0.927 354 I N 1.530 122.007 120.570 -0.156 0.000 2.325 354 I HA 0.433 4.603 4.170 0.000 0.000 0.291 354 I C 0.527 176.631 176.117 -0.022 0.000 1.019 354 I CA -0.572 60.669 61.300 -0.099 0.000 1.302 354 I CB 0.945 38.888 38.000 -0.094 0.000 1.401 354 I HN 0.275 nan 8.210 nan 0.000 0.485 355 A N 5.199 128.003 122.820 -0.026 0.000 2.292 355 A HA 0.732 5.052 4.320 0.000 0.000 0.319 355 A C 0.436 178.075 177.584 0.091 0.000 1.206 355 A CA -0.425 51.629 52.037 0.029 0.000 0.835 355 A CB 0.848 19.816 19.000 -0.055 0.000 1.164 355 A HN 0.815 nan 8.150 nan 0.000 0.505 356 G N 0.351 109.238 108.800 0.144 0.000 2.684 356 G HA2 0.408 4.368 3.960 0.000 0.000 0.255 356 G HA3 0.408 4.368 3.960 0.000 0.000 0.255 356 G C 0.553 175.579 174.900 0.210 0.000 1.219 356 G CA 0.474 45.666 45.100 0.152 0.000 0.901 356 G HN 0.907 nan 8.290 nan 0.000 0.548 357 T N -1.038 113.586 114.554 0.117 0.000 2.795 357 T HA 0.096 4.446 4.350 0.000 0.000 0.314 357 T C 0.517 175.223 174.700 0.010 0.000 1.069 357 T CA -0.520 61.619 62.100 0.064 0.000 1.071 357 T CB 0.201 69.010 68.868 -0.097 0.000 0.988 357 T HN 0.442 nan 8.240 nan 0.000 0.543 358 L N 4.430 125.599 121.223 -0.090 0.000 2.600 358 L HA 0.403 4.743 4.340 0.000 0.000 0.278 358 L C 0.375 176.991 176.870 -0.423 0.000 1.139 358 L CA 0.959 55.476 54.840 -0.538 0.000 0.933 358 L CB -0.477 41.295 42.059 -0.478 0.000 1.266 358 L HN 0.802 nan 8.230 nan 0.000 0.471 359 T N 3.035 117.335 114.554 -0.422 0.000 2.838 359 T HA 0.474 4.824 4.350 0.000 0.000 0.292 359 T C -0.753 173.748 174.700 -0.332 0.000 1.113 359 T CA -0.902 61.003 62.100 -0.324 0.000 1.008 359 T CB 0.882 69.621 68.868 -0.215 0.000 1.259 359 T HN 0.688 nan 8.240 nan 0.000 0.520 360 N N 2.847 121.358 118.700 -0.315 0.000 2.497 360 N HA 0.175 4.915 4.740 0.000 0.000 0.268 360 N C 0.996 176.441 175.510 -0.109 0.000 1.171 360 N CA -0.240 52.649 53.050 -0.268 0.000 0.948 360 N CB 0.363 38.552 38.487 -0.497 0.000 1.069 360 N HN 0.587 nan 8.380 nan 0.000 0.460 361 L N 0.790 122.005 121.223 -0.012 0.000 2.145 361 L HA 0.189 4.529 4.340 0.000 0.000 0.201 361 L C 1.637 178.575 176.870 0.113 0.000 1.075 361 L CA 0.475 55.335 54.840 0.033 0.000 0.773 361 L CB -0.780 41.293 42.059 0.024 0.000 0.936 361 L HN 0.658 nan 8.230 nan 0.000 0.451 362 G N -0.800 108.123 108.800 0.206 0.000 2.690 362 G HA2 0.054 4.014 3.960 0.000 0.000 0.239 362 G HA3 0.054 4.014 3.960 0.000 0.000 0.239 362 G C 0.755 175.825 174.900 0.283 0.000 1.233 362 G CA 0.329 45.543 45.100 0.191 0.000 0.847 362 G HN 0.078 nan 8.290 nan 0.000 0.588 363 T N -0.996 113.629 114.554 0.119 0.000 3.037 363 T HA 0.195 4.545 4.350 0.000 0.000 0.251 363 T C 0.716 175.452 174.700 0.060 0.000 1.079 363 T CA 0.432 62.620 62.100 0.147 0.000 1.067 363 T CB -0.093 68.814 68.868 0.065 0.000 0.948 363 T HN 0.757 nan 8.240 nan 0.000 0.496 364 R N 0.574 120.923 120.500 -0.252 0.000 2.668 364 R HA 0.678 5.018 4.340 0.000 0.000 0.272 364 R C -3.409 172.414 176.300 -0.795 0.000 1.019 364 R CA -2.294 53.537 56.100 -0.449 0.000 0.894 364 R CB -0.564 29.626 30.300 -0.183 0.000 1.228 364 R HN -0.140 nan 8.270 nan 0.000 0.460 365 P HA 0.171 nan 4.420 nan 0.000 0.266 365 P C -2.227 174.913 177.300 -0.267 0.000 1.195 365 P CA -0.724 62.059 63.100 -0.527 0.000 0.768 365 P CB -0.120 31.451 31.700 -0.214 0.000 0.838 366 P HA 0.183 nan 4.420 nan 0.000 0.276 366 P C -0.609 176.615 177.300 -0.126 0.000 1.235 366 P CA 0.008 63.036 63.100 -0.119 0.000 0.772 366 P CB 0.239 31.904 31.700 -0.058 0.000 0.871 367 Y N 0.854 121.205 120.300 0.085 0.000 2.230 367 Y HA 0.381 4.932 4.550 0.000 0.000 0.354 367 Y C 1.080 177.065 175.900 0.142 0.000 1.343 367 Y CA 0.193 58.354 58.100 0.101 0.000 1.693 367 Y CB 0.553 39.077 38.460 0.107 0.000 1.553 367 Y HN 0.307 nan 8.280 nan 0.000 0.599 368 E N 0.707 121.093 120.200 0.310 0.000 2.361 368 E HA 0.294 4.644 4.350 0.000 0.000 0.270 368 E C -2.146 174.486 176.600 0.053 0.000 0.911 368 E CA -0.551 55.965 56.400 0.193 0.000 0.818 368 E CB 0.705 30.469 29.700 0.107 0.000 1.332 368 E HN 0.433 nan 8.360 nan 0.000 0.402 369 L N 4.207 125.426 121.223 -0.008 0.000 2.361 369 L HA 0.743 5.083 4.340 0.000 0.000 0.278 369 L C 0.404 177.087 176.870 -0.311 0.000 1.113 369 L CA 1.096 55.752 54.840 -0.305 0.000 0.849 369 L CB 0.466 42.191 42.059 -0.557 0.000 1.155 369 L HN 0.662 nan 8.230 nan 0.000 0.452 370 G N 3.619 112.154 108.800 -0.442 0.000 2.588 370 G HA2 0.295 4.255 3.960 0.000 0.000 0.281 370 G HA3 0.295 4.255 3.960 0.000 0.000 0.281 370 G C -1.912 172.610 174.900 -0.629 0.000 1.223 370 G CA -0.605 44.194 45.100 -0.502 0.000 0.871 370 G HN 0.410 nan 8.290 nan 0.000 0.492 371 W N 0.902 122.173 121.300 -0.049 0.000 2.844 371 W HA 0.598 5.258 4.660 0.000 0.000 0.340 371 W C -0.402 176.104 176.519 -0.022 0.000 1.093 371 W CA -0.611 56.708 57.345 -0.044 0.000 1.212 371 W CB 2.312 31.741 29.460 -0.053 0.000 1.422 371 W HN 0.355 nan 8.180 nan 0.000 0.515 372 K N 1.101 121.623 120.400 0.203 0.000 2.185 372 K HA 0.535 4.856 4.320 0.000 0.000 0.240 372 K C -0.231 176.461 176.600 0.153 0.000 0.983 372 K CA -1.153 55.217 56.287 0.139 0.000 0.873 372 K CB 2.280 34.834 32.500 0.090 0.000 1.118 372 K HN 0.244 nan 8.250 nan 0.000 0.441 373 R N 1.268 121.856 120.500 0.147 0.000 2.198 373 R HA 0.074 4.414 4.340 0.000 0.000 0.339 373 R C 0.431 176.875 176.300 0.240 0.000 1.020 373 R CA -0.070 56.142 56.100 0.185 0.000 0.864 373 R CB 0.528 30.959 30.300 0.218 0.000 1.105 373 R HN 0.868 nan 8.270 nan 0.000 0.463 374 T N 0.195 114.850 114.554 0.168 0.000 3.057 374 T HA 0.317 4.667 4.350 0.000 0.000 0.254 374 T C 0.822 175.504 174.700 -0.031 0.000 1.094 374 T CA 0.409 62.578 62.100 0.115 0.000 1.088 374 T CB 0.549 69.449 68.868 0.054 0.000 0.934 374 T HN 0.622 nan 8.240 nan 0.000 0.497 375 G N -0.576 108.145 108.800 -0.131 0.000 2.348 375 G HA2 0.466 4.427 3.960 0.000 0.000 0.296 375 G HA3 0.466 4.427 3.960 0.000 0.000 0.296 375 G C -2.403 172.344 174.900 -0.254 0.000 1.258 375 G CA -0.955 43.741 45.100 -0.674 0.000 0.868 375 G HN 0.212 nan 8.290 nan 0.000 0.488 376 Y N -0.330 119.741 120.300 -0.382 0.000 2.504 376 Y HA 0.658 5.208 4.550 0.000 0.000 0.344 376 Y C -0.543 175.288 175.900 -0.114 0.000 1.023 376 Y CA -0.422 57.599 58.100 -0.132 0.000 1.020 376 Y CB 2.654 41.107 38.460 -0.011 0.000 1.282 376 Y HN 0.612 nan 8.280 nan 0.000 0.454 377 T N 4.358 118.769 114.554 -0.239 0.000 2.824 377 T HA 0.286 4.636 4.350 0.000 0.000 0.282 377 T C -1.858 172.799 174.700 -0.073 0.000 0.993 377 T CA -0.579 61.446 62.100 -0.124 0.000 0.967 377 T CB 1.020 69.793 68.868 -0.158 0.000 0.960 377 T HN 0.457 nan 8.240 nan 0.000 0.441 378 D N 2.437 122.828 120.400 -0.016 0.000 2.696 378 D HA 0.522 5.162 4.640 0.000 0.000 0.251 378 D C -1.174 175.051 176.300 -0.126 0.000 1.188 378 D CA -0.331 53.655 54.000 -0.023 0.000 0.876 378 D CB 1.606 42.444 40.800 0.064 0.000 1.334 378 D HN 0.221 nan 8.370 nan 0.000 0.540 379 V N 4.235 124.002 119.914 -0.245 0.000 2.604 379 V HA 0.526 4.646 4.120 0.000 0.000 0.305 379 V C -0.154 175.739 176.094 -0.335 0.000 1.043 379 V CA -0.729 61.333 62.300 -0.397 0.000 0.888 379 V CB 1.985 33.315 31.823 -0.823 0.000 0.995 379 V HN 0.557 nan 8.190 nan 0.000 0.429 380 M N 3.783 123.216 119.600 -0.278 0.000 2.134 380 M HA 0.631 5.111 4.480 0.000 0.000 0.310 380 M C -0.418 175.751 176.300 -0.217 0.000 0.966 380 M CA -0.391 54.794 55.300 -0.193 0.000 0.922 380 M CB 1.549 34.094 32.600 -0.092 0.000 1.537 380 M HN 0.780 nan 8.290 nan 0.000 0.424 381 A N 5.566 128.258 122.820 -0.213 0.000 2.293 381 A HA 0.727 5.047 4.320 0.000 0.000 0.312 381 A C -0.387 177.097 177.584 -0.167 0.000 1.309 381 A CA -0.667 51.251 52.037 -0.198 0.000 0.839 381 A CB 0.720 19.601 19.000 -0.199 0.000 1.155 381 A HN 0.844 nan 8.150 nan 0.000 0.501 382 R N 2.345 122.763 120.500 -0.138 0.000 2.407 382 R HA 0.494 4.834 4.340 0.000 0.000 0.303 382 R C -1.017 175.178 176.300 -0.175 0.000 0.981 382 R CA -0.623 55.384 56.100 -0.156 0.000 0.905 382 R CB 1.375 31.710 30.300 0.059 0.000 1.099 382 R HN 0.716 nan 8.270 nan 0.000 0.459 383 N N 1.105 119.623 118.700 -0.303 0.000 2.480 383 N HA 0.371 5.111 4.740 0.000 0.000 0.289 383 N C -1.569 173.909 175.510 -0.053 0.000 1.073 383 N CA -0.439 52.521 53.050 -0.150 0.000 0.885 383 N CB 2.357 40.743 38.487 -0.167 0.000 1.421 383 N HN 0.601 nan 8.380 nan 0.000 0.503 384 A N 1.264 124.201 122.820 0.196 0.000 2.355 384 A HA 0.915 5.235 4.320 0.000 0.000 0.317 384 A C -0.930 176.840 177.584 0.309 0.000 1.094 384 A CA -0.609 51.622 52.037 0.324 0.000 0.764 384 A CB 1.330 20.585 19.000 0.425 0.000 1.230 384 A HN 0.641 nan 8.150 nan 0.000 0.448 385 A N 1.300 124.292 122.820 0.286 0.000 2.486 385 A HA 0.722 5.042 4.320 0.000 0.000 0.300 385 A C -1.482 176.302 177.584 0.333 0.000 1.048 385 A CA -0.388 51.829 52.037 0.300 0.000 0.696 385 A CB 0.997 20.109 19.000 0.188 0.000 1.278 385 A HN 1.647 nan 8.150 nan 0.000 0.405 386 F N 2.659 122.730 119.950 0.202 0.000 2.382 386 F HA 0.540 5.067 4.527 0.000 0.000 0.361 386 F C -1.033 174.878 175.800 0.185 0.000 1.109 386 F CA -0.600 57.513 58.000 0.187 0.000 1.031 386 F CB 1.059 40.159 39.000 0.168 0.000 1.234 386 F HN 0.515 nan 8.300 nan 0.000 0.445 387 D N 4.807 124.991 120.400 -0.360 0.000 2.181 387 D HA 0.264 4.904 4.640 0.000 0.000 0.248 387 D C -1.634 174.422 176.300 -0.406 0.000 1.020 387 D CA 0.105 53.933 54.000 -0.286 0.000 0.891 387 D CB 2.146 42.870 40.800 -0.127 0.000 1.187 387 D HN 0.595 nan 8.370 nan 0.000 0.443 388 Y N 0.386 120.476 120.300 -0.350 0.000 2.479 388 Y HA 0.374 4.924 4.550 0.000 0.000 0.338 388 Y C -1.294 174.516 175.900 -0.149 0.000 1.055 388 Y CA -0.735 57.226 58.100 -0.232 0.000 1.023 388 Y CB 1.555 39.929 38.460 -0.142 0.000 1.287 388 Y HN 0.319 nan 8.280 nan 0.000 0.447 389 S N 6.058 121.249 115.700 -0.849 0.000 2.541 389 S HA 0.769 5.239 4.470 0.000 0.000 0.280 389 S C -2.237 171.922 174.600 -0.735 0.000 1.112 389 S CA -0.775 57.037 58.200 -0.646 0.000 0.925 389 S CB 1.981 64.975 63.200 -0.344 0.000 1.067 389 S HN 0.882 nan 8.310 nan 0.000 0.479 390 L N 2.454 123.446 121.223 -0.385 0.000 2.485 390 L HA 0.818 5.159 4.340 0.000 0.000 0.260 390 L C -0.600 176.211 176.870 -0.098 0.000 0.998 390 L CA -0.145 54.582 54.840 -0.189 0.000 0.883 390 L CB 1.187 43.251 42.059 0.008 0.000 1.196 390 L HN 1.094 nan 8.230 nan 0.000 0.443 391 A N 5.644 128.393 122.820 -0.119 0.000 3.317 391 A HA 0.726 5.046 4.320 0.000 0.000 0.307 391 A C -2.689 174.829 177.584 -0.110 0.000 1.003 391 A CA -1.059 50.910 52.037 -0.114 0.000 0.882 391 A CB -0.253 18.682 19.000 -0.108 0.000 1.136 391 A HN 0.507 nan 8.150 nan 0.000 0.488 392 P HA 0.109 nan 4.420 nan 0.000 0.266 392 P C 0.136 177.377 177.300 -0.100 0.000 1.195 392 P CA 0.269 63.308 63.100 -0.102 0.000 0.768 392 P CB 0.498 32.126 31.700 -0.119 0.000 0.838 393 E N 1.992 122.153 120.200 -0.066 0.000 2.398 393 E HA 0.005 4.355 4.350 0.000 0.000 0.263 393 E C -0.297 176.274 176.600 -0.047 0.000 1.046 393 E CA -0.349 56.020 56.400 -0.051 0.000 0.908 393 E CB -0.079 29.602 29.700 -0.032 0.000 0.963 393 E HN 0.324 nan 8.360 nan 0.000 0.431 394 D N 0.150 120.530 120.400 -0.033 0.000 2.653 394 D HA -0.159 4.481 4.640 0.000 0.000 0.184 394 D C -0.403 175.881 176.300 -0.027 0.000 0.993 394 D CA 1.323 55.316 54.000 -0.012 0.000 1.027 394 D CB -1.246 39.556 40.800 0.003 0.000 1.089 394 D HN 0.312 nan 8.370 nan 0.000 0.447 395 V N 2.228 122.077 119.914 -0.108 0.000 2.284 395 V HA 0.156 4.276 4.120 0.000 0.000 0.260 395 V C 0.977 176.906 176.094 -0.274 0.000 1.084 395 V CA -0.273 61.871 62.300 -0.259 0.000 0.894 395 V CB 1.321 32.875 31.823 -0.448 0.000 1.119 395 V HN -0.038 nan 8.190 nan 0.000 0.484 396 D N 3.531 123.881 120.400 -0.084 0.000 2.144 396 D HA -0.136 4.504 4.640 0.000 0.000 0.200 396 D C 1.939 178.295 176.300 0.093 0.000 0.978 396 D CA 1.155 55.180 54.000 0.041 0.000 0.833 396 D CB 0.055 40.956 40.800 0.169 0.000 0.961 396 D HN 0.840 nan 8.370 nan 0.000 0.470 397 W N 0.652 122.031 121.300 0.132 0.000 2.961 397 W HA 0.168 4.829 4.660 0.000 0.000 0.240 397 W C -0.127 176.472 176.519 0.134 0.000 1.305 397 W CA -0.385 57.052 57.345 0.153 0.000 1.465 397 W CB -0.476 29.050 29.460 0.109 0.000 1.135 397 W HN -0.117 nan 8.180 nan 0.000 0.688 398 L N 3.075 124.062 121.223 -0.393 0.000 2.316 398 L HA 0.392 4.732 4.340 0.000 0.000 0.280 398 L C -1.427 175.347 176.870 -0.160 0.000 1.006 398 L CA -0.236 54.386 54.840 -0.365 0.000 0.836 398 L CB 1.270 42.847 42.059 -0.804 0.000 1.221 398 L HN -0.110 nan 8.230 nan 0.000 0.418 399 D N 4.514 124.897 120.400 -0.027 0.000 2.823 399 D HA 0.122 4.762 4.640 0.000 0.000 0.255 399 D C -1.400 174.918 176.300 0.030 0.000 1.257 399 D CA -0.210 53.776 54.000 -0.025 0.000 0.803 399 D CB 0.126 40.905 40.800 -0.034 0.000 1.384 399 D HN 0.202 nan 8.370 nan 0.000 0.541 400 F N 2.287 122.176 119.950 -0.101 0.000 2.375 400 F HA 0.497 5.024 4.527 0.000 0.000 0.333 400 F C -0.270 175.478 175.800 -0.086 0.000 1.104 400 F CA -0.032 57.929 58.000 -0.064 0.000 1.149 400 F CB 0.940 39.941 39.000 0.002 0.000 1.190 400 F HN 0.206 nan 8.300 nan 0.000 0.533 401 Q N 4.555 123.784 119.800 -0.952 0.000 2.281 401 Q HA 0.754 5.094 4.340 0.000 0.000 0.263 401 Q C -2.107 173.414 176.000 -0.798 0.000 0.989 401 Q CA -1.183 54.188 55.803 -0.721 0.000 0.852 401 Q CB 1.573 30.098 28.738 -0.355 0.000 1.337 401 Q HN 0.831 nan 8.270 nan 0.000 0.418 402 A N 2.359 124.894 122.820 -0.476 0.000 2.386 402 A HA 0.929 5.249 4.320 0.000 0.000 0.308 402 A C -1.265 176.328 177.584 0.014 0.000 1.128 402 A CA -0.758 51.183 52.037 -0.160 0.000 0.789 402 A CB 2.110 21.169 19.000 0.097 0.000 1.325 402 A HN 0.726 nan 8.150 nan 0.000 0.437 403 K N 0.850 121.332 120.400 0.136 0.000 2.571 403 K HA 0.568 4.888 4.320 0.000 0.000 0.252 403 K C -2.350 174.454 176.600 0.342 0.000 0.956 403 K CA -0.483 55.931 56.287 0.212 0.000 0.822 403 K CB 1.120 33.721 32.500 0.167 0.000 1.286 403 K HN 0.449 nan 8.250 nan 0.000 0.439 404 L N 5.155 126.621 121.223 0.405 0.000 2.341 404 L HA 0.594 4.934 4.340 0.000 0.000 0.278 404 L C -1.100 176.019 176.870 0.415 0.000 1.005 404 L CA -0.518 54.540 54.840 0.364 0.000 0.818 404 L CB 1.206 43.465 42.059 0.332 0.000 1.259 404 L HN 0.647 nan 8.230 nan 0.000 0.418 405 Y N 1.688 122.129 120.300 0.235 0.000 2.571 405 Y HA 0.713 5.263 4.550 0.000 0.000 0.341 405 Y C -1.755 174.277 175.900 0.220 0.000 1.076 405 Y CA -1.583 56.640 58.100 0.205 0.000 1.029 405 Y CB 1.401 39.938 38.460 0.129 0.000 1.308 405 Y HN 0.521 nan 8.280 nan 0.000 0.461 406 Y N 2.189 122.592 120.300 0.172 0.000 2.391 406 Y HA 0.758 5.308 4.550 0.000 0.000 0.341 406 Y C -1.914 174.020 175.900 0.057 0.000 0.965 406 Y CA -1.161 56.937 58.100 -0.003 0.000 1.067 406 Y CB 2.058 40.501 38.460 -0.029 0.000 1.199 406 Y HN 0.691 nan 8.280 nan 0.000 0.450 407 V N 5.757 125.281 119.914 -0.650 0.000 2.409 407 V HA 0.262 4.382 4.120 0.000 0.000 0.290 407 V C -1.271 174.415 176.094 -0.679 0.000 1.017 407 V CA -0.670 61.358 62.300 -0.452 0.000 0.841 407 V CB 1.436 33.166 31.823 -0.156 0.000 1.003 407 V HN 0.739 nan 8.190 nan 0.000 0.426 408 D N 3.295 123.401 120.400 -0.489 0.000 2.462 408 D HA 0.296 4.936 4.640 0.000 0.000 0.249 408 D C -0.148 176.060 176.300 -0.153 0.000 1.117 408 D CA -0.003 53.818 54.000 -0.299 0.000 0.900 408 D CB 1.524 42.278 40.800 -0.077 0.000 1.039 408 D HN 0.562 nan 8.370 nan 0.000 0.516 409 T N 2.454 116.924 114.554 -0.140 0.000 2.756 409 T HA 0.414 4.764 4.350 0.000 0.000 0.290 409 T C -0.660 173.928 174.700 -0.185 0.000 0.985 409 T CA -0.607 61.368 62.100 -0.209 0.000 0.955 409 T CB 0.912 69.611 68.868 -0.281 0.000 0.930 409 T HN 0.355 nan 8.240 nan 0.000 0.451 410 Q N 3.557 123.234 119.800 -0.205 0.000 2.365 410 Q HA 0.453 4.793 4.340 0.000 0.000 0.269 410 Q C -1.729 174.173 176.000 -0.163 0.000 1.061 410 Q CA -0.814 54.932 55.803 -0.095 0.000 0.816 410 Q CB 1.682 30.404 28.738 -0.025 0.000 1.325 410 Q HN 0.655 nan 8.270 nan 0.000 0.446 411 D N 2.819 123.204 120.400 -0.026 0.000 2.471 411 D HA 0.242 4.882 4.640 0.000 0.000 0.245 411 D C -1.462 174.858 176.300 0.034 0.000 1.116 411 D CA -0.383 53.606 54.000 -0.019 0.000 0.853 411 D CB 1.248 42.131 40.800 0.139 0.000 1.123 411 D HN 0.412 nan 8.370 nan 0.000 0.540 412 D N 2.085 122.486 120.400 0.001 0.000 2.443 412 D HA 0.286 4.926 4.640 0.000 0.000 0.221 412 D C -0.570 175.742 176.300 0.020 0.000 1.097 412 D CA -0.154 53.860 54.000 0.023 0.000 0.865 412 D CB 1.069 41.882 40.800 0.021 0.000 1.034 412 D HN 0.013 nan 8.370 nan 0.000 0.511 413 S N 1.626 117.337 115.700 0.018 0.000 2.473 413 S HA 0.381 4.851 4.470 0.000 0.000 0.307 413 S C -0.542 174.018 174.600 -0.067 0.000 1.094 413 S CA -0.934 57.256 58.200 -0.017 0.000 1.070 413 S CB 1.571 64.759 63.200 -0.020 0.000 1.019 413 S HN 0.206 nan 8.310 nan 0.000 0.480 414 D N 1.958 122.281 120.400 -0.129 0.000 2.175 414 D HA 0.455 5.095 4.640 0.000 0.000 0.248 414 D C -0.547 175.462 176.300 -0.485 0.000 1.047 414 D CA 0.005 53.854 54.000 -0.251 0.000 0.883 414 D CB 1.280 41.963 40.800 -0.194 0.000 1.180 414 D HN 0.280 nan 8.370 nan 0.000 0.438 415 T N 2.041 116.228 114.554 -0.612 0.000 2.809 415 T HA 0.269 4.619 4.350 0.000 0.000 0.296 415 T C -0.149 174.259 174.700 -0.487 0.000 1.015 415 T CA -0.507 61.181 62.100 -0.686 0.000 0.954 415 T CB -0.040 68.217 68.868 -1.017 0.000 0.950 415 T HN 0.144 nan 8.240 nan 0.000 0.450 416 Y N 1.440 121.655 120.300 -0.141 0.000 2.457 416 Y HA 0.221 4.771 4.550 0.000 0.000 0.341 416 Y C 1.573 177.451 175.900 -0.036 0.000 1.240 416 Y CA -0.567 57.493 58.100 -0.066 0.000 1.437 416 Y CB 0.505 38.956 38.460 -0.015 0.000 1.328 416 Y HN 0.509 nan 8.280 nan 0.000 0.588 417 S N 0.708 116.519 115.700 0.185 0.000 2.563 417 S HA -0.059 4.411 4.470 0.000 0.000 0.284 417 S C 1.109 175.776 174.600 0.111 0.000 1.331 417 S CA -0.061 58.215 58.200 0.127 0.000 1.047 417 S CB 0.589 63.850 63.200 0.101 0.000 0.859 417 S HN 0.795 nan 8.310 nan 0.000 0.514 418 T N 3.164 117.780 114.554 0.102 0.000 2.643 418 T HA -0.000 4.350 4.350 0.000 0.000 0.264 418 T C 0.857 175.594 174.700 0.062 0.000 1.045 418 T CA 1.385 63.532 62.100 0.080 0.000 1.155 418 T CB -0.212 68.703 68.868 0.079 0.000 0.863 418 T HN 0.555 nan 8.240 nan 0.000 0.420 419 S N -0.011 115.724 115.700 0.059 0.000 2.566 419 S HA 0.398 4.868 4.470 0.000 0.000 0.298 419 S C 0.945 175.569 174.600 0.041 0.000 1.083 419 S CA -0.521 57.706 58.200 0.045 0.000 0.978 419 S CB 1.619 64.844 63.200 0.041 0.000 1.073 419 S HN 0.323 nan 8.310 nan 0.000 0.491 420 S N 3.934 119.652 115.700 0.029 0.000 2.650 420 S HA 0.129 4.599 4.470 0.000 0.000 0.219 420 S C 1.289 175.902 174.600 0.022 0.000 0.960 420 S CA -0.156 58.057 58.200 0.021 0.000 0.925 420 S CB -0.275 62.932 63.200 0.011 0.000 0.775 420 S HN 0.582 nan 8.310 nan 0.000 0.525 421 L N -0.171 121.068 121.223 0.027 0.000 2.121 421 L HA 0.435 4.775 4.340 0.000 0.000 0.200 421 L C 0.645 177.532 176.870 0.028 0.000 1.077 421 L CA 1.074 55.929 54.840 0.025 0.000 0.766 421 L CB -1.100 40.974 42.059 0.026 0.000 0.931 421 L HN 0.362 nan 8.230 nan 0.000 0.452 422 L N -0.715 120.529 121.223 0.036 0.000 2.303 422 L HA 0.330 4.670 4.340 0.000 0.000 0.266 422 L C -0.292 176.608 176.870 0.049 0.000 1.011 422 L CA -0.352 54.512 54.840 0.040 0.000 0.818 422 L CB 1.073 43.157 42.059 0.041 0.000 1.326 422 L HN -0.083 nan 8.230 nan 0.000 0.435 423 D N 0.657 121.088 120.400 0.052 0.000 2.467 423 D HA 0.206 4.846 4.640 0.000 0.000 0.220 423 D C -0.132 176.217 176.300 0.082 0.000 1.103 423 D CA -0.139 53.899 54.000 0.065 0.000 0.886 423 D CB 0.316 41.150 40.800 0.057 0.000 1.025 423 D HN 0.528 nan 8.370 nan 0.000 0.514 424 N N 2.224 120.986 118.700 0.103 0.000 2.238 424 N HA 0.167 4.907 4.740 0.000 0.000 0.235 424 N C 0.638 176.274 175.510 0.209 0.000 1.209 424 N CA -0.610 52.520 53.050 0.134 0.000 0.879 424 N CB 0.352 38.911 38.487 0.121 0.000 1.136 424 N HN 0.248 nan 8.380 nan 0.000 0.517 425 G N 0.314 109.219 108.800 0.176 0.000 2.634 425 G HA2 0.415 4.375 3.960 0.000 0.000 0.255 425 G HA3 0.415 4.375 3.960 0.000 0.000 0.255 425 G C -0.895 174.148 174.900 0.238 0.000 1.205 425 G CA -0.242 44.956 45.100 0.163 0.000 0.884 425 G HN 0.434 nan 8.290 nan 0.000 0.549 426 Y N -2.972 117.360 120.300 0.053 0.000 2.624 426 Y HA 0.707 5.258 4.550 0.000 0.000 0.334 426 Y C -0.430 175.483 175.900 0.021 0.000 1.155 426 Y CA -1.554 56.569 58.100 0.037 0.000 1.046 426 Y CB 1.020 39.499 38.460 0.033 0.000 1.316 426 Y HN 0.825 nan 8.280 nan 0.000 0.457 427 A N 1.482 124.400 122.820 0.163 0.000 2.331 427 A HA 0.721 5.041 4.320 0.000 0.000 0.320 427 A C -0.802 176.882 177.584 0.166 0.000 1.138 427 A CA -0.383 51.702 52.037 0.080 0.000 0.790 427 A CB 1.300 20.333 19.000 0.055 0.000 1.206 427 A HN 1.018 nan 8.150 nan 0.000 0.470 428 T N 1.695 116.331 114.554 0.137 0.000 2.879 428 T HA 0.544 4.894 4.350 0.000 0.000 0.290 428 T C -0.519 174.240 174.700 0.098 0.000 0.993 428 T CA -0.634 61.556 62.100 0.150 0.000 0.975 428 T CB 0.660 69.662 68.868 0.223 0.000 0.981 428 T HN 0.836 nan 8.240 nan 0.000 0.439 429 R N 2.845 123.398 120.500 0.088 0.000 2.474 429 R HA 0.644 4.984 4.340 0.000 0.000 0.295 429 R C -0.990 175.367 176.300 0.096 0.000 0.980 429 R CA -0.429 55.721 56.100 0.082 0.000 0.934 429 R CB 1.382 31.724 30.300 0.070 0.000 1.101 429 R HN 0.653 nan 8.270 nan 0.000 0.469 430 T N 4.290 118.919 114.554 0.124 0.000 3.066 430 T HA 0.288 4.638 4.350 0.000 0.000 0.318 430 T C -1.223 173.624 174.700 0.245 0.000 0.979 430 T CA -0.783 61.408 62.100 0.152 0.000 1.025 430 T CB 0.395 69.345 68.868 0.136 0.000 1.002 430 T HN 0.765 nan 8.240 nan 0.000 0.453 431 R N 4.145 124.757 120.500 0.187 0.000 2.711 431 R HA 0.836 5.176 4.340 0.000 0.000 0.284 431 R C -1.803 174.614 176.300 0.195 0.000 0.968 431 R CA -0.942 55.279 56.100 0.202 0.000 0.924 431 R CB 1.502 31.875 30.300 0.122 0.000 1.162 431 R HN 0.479 nan 8.270 nan 0.000 0.465 432 L N 3.384 124.741 121.223 0.222 0.000 2.482 432 L HA 0.493 4.833 4.340 0.000 0.000 0.269 432 L C -1.241 175.670 176.870 0.067 0.000 0.967 432 L CA -0.341 54.593 54.840 0.157 0.000 0.851 432 L CB 1.698 43.866 42.059 0.182 0.000 1.242 432 L HN 0.699 nan 8.230 nan 0.000 0.404 433 R N 2.615 123.135 120.500 0.032 0.000 2.536 433 R HA 0.838 5.178 4.340 0.000 0.000 0.279 433 R C -0.717 175.510 176.300 -0.121 0.000 1.001 433 R CA -0.731 55.280 56.100 -0.148 0.000 1.027 433 R CB 1.533 31.775 30.300 -0.097 0.000 1.096 433 R HN 0.570 nan 8.270 nan 0.000 0.502 434 T N 2.114 116.463 114.554 -0.342 0.000 2.881 434 T HA 0.311 4.661 4.350 0.000 0.000 0.291 434 T C -1.380 173.150 174.700 -0.282 0.000 0.990 434 T CA -0.624 61.397 62.100 -0.133 0.000 0.976 434 T CB 0.514 69.369 68.868 -0.021 0.000 0.970 434 T HN 0.313 nan 8.240 nan 0.000 0.438 435 Y N 1.530 121.871 120.300 0.068 0.000 2.385 435 Y HA 0.600 5.150 4.550 0.000 0.000 0.341 435 Y C 0.907 176.710 175.900 -0.161 0.000 0.965 435 Y CA -0.732 57.384 58.100 0.025 0.000 1.180 435 Y CB 1.308 39.840 38.460 0.119 0.000 1.139 435 Y HN 0.786 nan 8.280 nan 0.000 0.502 436 G N 1.272 109.779 108.800 -0.489 0.000 2.432 436 G HA2 0.791 4.751 3.960 0.000 0.000 0.331 436 G HA3 0.791 4.751 3.960 0.000 0.000 0.331 436 G C -1.437 173.287 174.900 -0.292 0.000 1.170 436 G CA -0.967 43.618 45.100 -0.859 0.000 0.943 436 G HN 0.781 nan 8.290 nan 0.000 0.483 437 A N 1.448 124.332 122.820 0.107 0.000 2.491 437 A HA 0.757 5.077 4.320 0.000 0.000 0.293 437 A C -0.818 176.967 177.584 0.336 0.000 1.047 437 A CA -0.660 51.538 52.037 0.269 0.000 0.735 437 A CB 1.489 20.675 19.000 0.311 0.000 1.281 437 A HN 1.148 nan 8.150 nan 0.000 0.398 438 Q N 1.173 121.157 119.800 0.307 0.000 2.295 438 Q HA 0.762 5.102 4.340 0.000 0.000 0.268 438 Q C -1.142 174.974 176.000 0.193 0.000 1.010 438 Q CA -0.709 55.260 55.803 0.277 0.000 0.856 438 Q CB 2.120 31.029 28.738 0.284 0.000 1.349 438 Q HN 1.842 nan 8.270 nan 0.000 0.412 439 A N 2.867 125.797 122.820 0.183 0.000 2.408 439 A HA 0.637 4.957 4.320 0.000 0.000 0.295 439 A C -1.248 176.404 177.584 0.114 0.000 1.040 439 A CA -0.552 51.542 52.037 0.095 0.000 0.707 439 A CB 1.842 21.012 19.000 0.283 0.000 1.235 439 A HN 0.819 nan 8.150 nan 0.000 0.418 440 Q N 1.218 120.999 119.800 -0.031 0.000 2.456 440 Q HA 0.744 5.084 4.340 0.000 0.000 0.283 440 Q C -1.363 174.622 176.000 -0.024 0.000 1.084 440 Q CA -1.078 54.737 55.803 0.019 0.000 0.801 440 Q CB 1.986 30.822 28.738 0.164 0.000 1.434 440 Q HN 0.501 nan 8.270 nan 0.000 0.419 441 N N 0.366 118.961 118.700 -0.176 0.000 2.295 441 N HA 0.340 5.080 4.740 0.000 0.000 0.293 441 N C -1.936 173.358 175.510 -0.360 0.000 1.040 441 N CA -0.267 52.666 53.050 -0.196 0.000 0.840 441 N CB 2.693 41.097 38.487 -0.139 0.000 1.468 441 N HN 0.689 nan 8.380 nan 0.000 0.478 442 T N 1.654 116.151 114.554 -0.095 0.000 2.842 442 T HA 0.521 4.871 4.350 0.000 0.000 0.308 442 T C -0.906 173.870 174.700 0.126 0.000 1.041 442 T CA -0.388 61.722 62.100 0.016 0.000 0.964 442 T CB -0.262 68.620 68.868 0.023 0.000 0.972 442 T HN 0.336 nan 8.240 nan 0.000 0.460 443 S N 5.025 120.894 115.700 0.281 0.000 2.480 443 S HA 0.576 5.046 4.470 0.000 0.000 0.286 443 S C 0.048 174.894 174.600 0.411 0.000 1.180 443 S CA -0.861 57.578 58.200 0.399 0.000 1.075 443 S CB 0.995 64.536 63.200 0.569 0.000 0.996 443 S HN 0.702 nan 8.310 nan 0.000 0.487 444 R N 1.580 122.293 120.500 0.356 0.000 2.637 444 R HA 0.772 5.112 4.340 0.000 0.000 0.291 444 R C -0.942 175.608 176.300 0.418 0.000 0.963 444 R CA -0.570 55.687 56.100 0.261 0.000 0.901 444 R CB 1.223 31.600 30.300 0.129 0.000 1.160 444 R HN 0.730 nan 8.270 nan 0.000 0.457 445 F N -2.264 117.822 119.950 0.227 0.000 2.858 445 F HA 0.623 5.150 4.527 0.000 0.000 0.319 445 F C -1.480 174.486 175.800 0.278 0.000 1.166 445 F CA -1.002 57.126 58.000 0.215 0.000 0.899 445 F CB 1.489 40.593 39.000 0.172 0.000 1.332 445 F HN 0.251 nan 8.300 nan 0.000 0.461 446 S N 1.075 117.044 115.700 0.448 0.000 2.575 446 S HA 0.544 5.014 4.470 0.000 0.000 0.278 446 S C -0.490 174.347 174.600 0.395 0.000 1.139 446 S CA -0.518 57.913 58.200 0.386 0.000 0.954 446 S CB 1.865 65.216 63.200 0.251 0.000 1.054 446 S HN 0.655 nan 8.310 nan 0.000 0.483 447 L N 1.814 123.293 121.223 0.427 0.000 2.585 447 L HA 0.601 4.941 4.340 0.000 0.000 0.226 447 L C 0.803 177.785 176.870 0.186 0.000 1.113 447 L CA 0.687 55.688 54.840 0.268 0.000 0.876 447 L CB -0.425 41.773 42.059 0.231 0.000 1.072 447 L HN 0.832 nan 8.230 nan 0.000 0.468 448 A N -2.229 120.739 122.820 0.247 0.000 2.601 448 A HA 0.617 4.937 4.320 0.000 0.000 0.291 448 A C -2.143 175.589 177.584 0.247 0.000 1.075 448 A CA -0.646 51.514 52.037 0.205 0.000 0.671 448 A CB 0.168 19.248 19.000 0.134 0.000 1.277 448 A HN -0.125 nan 8.150 nan 0.000 0.417 449 P HA -0.069 nan 4.420 nan 0.000 0.217 449 P C 1.182 178.561 177.300 0.133 0.000 1.148 449 P CA 2.265 65.452 63.100 0.145 0.000 0.828 449 P CB 0.292 32.063 31.700 0.118 0.000 0.783 450 G N -3.190 105.732 108.800 0.204 0.000 3.228 450 G HA2 0.019 3.979 3.960 0.000 0.000 0.245 450 G HA3 0.019 3.979 3.960 0.000 0.000 0.245 450 G C 0.057 174.954 174.900 -0.004 0.000 1.051 450 G CA -0.028 45.097 45.100 0.042 0.000 0.809 450 G HN 0.324 nan 8.290 nan 0.000 0.531 451 H N 1.822 120.981 119.070 0.148 0.000 2.700 451 H HA 0.267 4.823 4.556 0.000 0.000 0.269 451 H C -0.946 174.449 175.328 0.111 0.000 1.222 451 H CA -0.631 55.541 56.048 0.207 0.000 1.254 451 H CB 1.137 31.146 29.762 0.412 0.000 1.413 451 H HN 0.126 nan 8.280 nan 0.000 0.507 452 D N 2.562 122.912 120.400 -0.083 0.000 2.163 452 D HA 0.320 4.961 4.640 0.000 0.000 0.248 452 D C -0.193 175.898 176.300 -0.349 0.000 1.035 452 D CA -0.096 53.841 54.000 -0.105 0.000 0.872 452 D CB 1.337 42.061 40.800 -0.128 0.000 1.183 452 D HN 0.234 nan 8.370 nan 0.000 0.445 453 F N 0.285 120.079 119.950 -0.259 0.000 2.593 453 F HA 0.528 5.055 4.527 0.000 0.000 0.320 453 F C 0.370 175.950 175.800 -0.368 0.000 1.060 453 F CA -0.998 56.768 58.000 -0.389 0.000 0.940 453 F CB 2.063 40.516 39.000 -0.912 0.000 1.268 453 F HN -0.022 nan 8.300 nan 0.000 0.475 454 R N 1.589 122.102 120.500 0.023 0.000 2.631 454 R HA 0.695 5.035 4.340 0.000 0.000 0.289 454 R C -1.756 174.661 176.300 0.196 0.000 1.303 454 R CA -0.469 55.679 56.100 0.079 0.000 0.989 454 R CB 1.119 31.444 30.300 0.042 0.000 1.208 454 R HN 0.780 nan 8.270 nan 0.000 0.461 455 A N 3.498 126.505 122.820 0.313 0.000 2.276 455 A HA 0.330 4.650 4.320 0.000 0.000 0.300 455 A C -0.609 177.215 177.584 0.400 0.000 1.235 455 A CA -0.547 51.731 52.037 0.402 0.000 0.867 455 A CB 0.677 19.985 19.000 0.513 0.000 1.137 455 A HN 0.679 nan 8.150 nan 0.000 0.527 456 N N 2.262 121.179 118.700 0.361 0.000 2.564 456 N HA 0.514 5.254 4.740 0.000 0.000 0.248 456 N C -1.291 174.484 175.510 0.441 0.000 0.986 456 N CA -0.389 52.842 53.050 0.301 0.000 0.921 456 N CB 0.365 38.992 38.487 0.232 0.000 1.136 456 N HN 0.538 nan 8.380 nan 0.000 0.509 457 Y N 0.951 121.369 120.300 0.197 0.000 2.602 457 Y HA 0.982 5.532 4.550 0.000 0.000 0.342 457 Y C 0.535 176.230 175.900 -0.343 0.000 1.029 457 Y CA -1.089 56.964 58.100 -0.078 0.000 1.080 457 Y CB 1.283 39.722 38.460 -0.036 0.000 1.284 457 Y HN 0.479 nan 8.280 nan 0.000 0.485 458 G N 0.521 108.815 108.800 -0.844 0.000 2.344 458 G HA2 0.480 4.440 3.960 0.000 0.000 0.282 458 G HA3 0.480 4.440 3.960 0.000 0.000 0.282 458 G C -2.386 172.117 174.900 -0.662 0.000 1.281 458 G CA -0.446 44.292 45.100 -0.603 0.000 0.877 458 G HN 1.283 nan 8.290 nan 0.000 0.494 459 L N -2.597 118.556 121.223 -0.118 0.000 2.465 459 L HA 0.992 5.332 4.340 0.000 0.000 0.257 459 L C -0.829 176.236 176.870 0.325 0.000 0.988 459 L CA -0.911 54.007 54.840 0.129 0.000 0.827 459 L CB 2.271 44.402 42.059 0.120 0.000 1.397 459 L HN 0.899 nan 8.230 nan 0.000 0.410 460 E N 1.144 121.574 120.200 0.383 0.000 2.340 460 E HA 0.710 5.060 4.350 0.000 0.000 0.273 460 E C -2.209 174.654 176.600 0.437 0.000 0.891 460 E CA -0.704 55.936 56.400 0.399 0.000 0.757 460 E CB 2.527 32.462 29.700 0.392 0.000 1.231 460 E HN 0.697 nan 8.360 nan 0.000 0.439 461 F N 4.659 124.764 119.950 0.257 0.000 2.605 461 F HA 0.459 4.986 4.527 0.000 0.000 0.320 461 F C -2.106 173.851 175.800 0.262 0.000 1.159 461 F CA -0.488 57.625 58.000 0.189 0.000 0.999 461 F CB 1.171 40.252 39.000 0.135 0.000 1.258 461 F HN 0.480 nan 8.300 nan 0.000 0.464 462 Y N 4.453 124.380 120.300 -0.621 0.000 2.457 462 Y HA 0.646 5.196 4.550 0.000 0.000 0.343 462 Y C -2.306 173.245 175.900 -0.582 0.000 0.994 462 Y CA -1.888 55.922 58.100 -0.483 0.000 1.031 462 Y CB 0.996 39.380 38.460 -0.125 0.000 1.246 462 Y HN 0.626 nan 8.280 nan 0.000 0.449 463 Y N 3.603 123.713 120.300 -0.317 0.000 2.328 463 Y HA 0.483 5.033 4.550 0.000 0.000 0.333 463 Y C -1.142 174.822 175.900 0.107 0.000 0.958 463 Y CA -1.073 56.931 58.100 -0.160 0.000 1.167 463 Y CB 0.954 39.396 38.460 -0.030 0.000 1.151 463 Y HN 0.751 nan 8.280 nan 0.000 0.470 464 D N 4.946 125.285 120.400 -0.101 0.000 2.264 464 D HA 0.214 4.854 4.640 0.000 0.000 0.250 464 D C -0.820 175.498 176.300 0.029 0.000 1.113 464 D CA -0.179 53.840 54.000 0.032 0.000 0.871 464 D CB 1.559 42.355 40.800 -0.006 0.000 1.167 464 D HN 0.339 nan 8.370 nan 0.000 0.447 465 K N 1.199 121.730 120.400 0.218 0.000 2.575 465 K HA 0.572 4.892 4.320 0.000 0.000 0.236 465 K C -1.368 175.328 176.600 0.160 0.000 0.976 465 K CA -0.649 55.799 56.287 0.269 0.000 0.985 465 K CB 0.996 33.784 32.500 0.481 0.000 1.198 465 K HN 0.333 nan 8.250 nan 0.000 0.464 466 A N 3.027 125.905 122.820 0.095 0.000 2.274 466 A HA 0.627 4.947 4.320 0.000 0.000 0.309 466 A C -0.365 177.266 177.584 0.078 0.000 1.226 466 A CA -0.307 51.772 52.037 0.069 0.000 0.853 466 A CB 0.297 19.309 19.000 0.020 0.000 1.146 466 A HN 0.764 nan 8.150 nan 0.000 0.518 467 T N -0.849 113.756 114.554 0.085 0.000 2.906 467 T HA 0.789 5.139 4.350 0.000 0.000 0.295 467 T C -0.475 174.268 174.700 0.073 0.000 1.061 467 T CA -0.678 61.471 62.100 0.081 0.000 1.000 467 T CB 1.731 70.656 68.868 0.095 0.000 1.103 467 T HN 1.113 nan 8.240 nan 0.000 0.486 468 S N 0.989 116.726 115.700 0.062 0.000 2.563 468 S HA 0.586 5.056 4.470 0.000 0.000 0.279 468 S C -2.338 172.293 174.600 0.051 0.000 1.155 468 S CA -0.743 57.492 58.200 0.059 0.000 0.928 468 S CB 1.023 64.251 63.200 0.047 0.000 1.107 468 S HN 1.126 nan 8.310 nan 0.000 0.462 469 D N 1.165 121.598 120.400 0.056 0.000 2.581 469 D HA 0.791 5.431 4.640 0.000 0.000 0.232 469 D C -0.772 175.563 176.300 0.058 0.000 1.143 469 D CA -0.641 53.388 54.000 0.049 0.000 0.881 469 D CB 1.730 42.559 40.800 0.049 0.000 1.500 469 D HN 0.423 nan 8.370 nan 0.000 0.458 470 S N -0.877 114.854 115.700 0.051 0.000 2.565 470 S HA 0.452 4.922 4.470 0.000 0.000 0.269 470 S C 0.125 174.759 174.600 0.058 0.000 1.153 470 S CA -0.155 58.087 58.200 0.070 0.000 0.835 470 S CB 1.208 64.446 63.200 0.063 0.000 1.122 470 S HN 0.705 nan 8.310 nan 0.000 0.462 471 S N 1.874 117.630 115.700 0.094 0.000 2.562 471 S HA 0.194 4.664 4.470 0.000 0.000 0.221 471 S C 0.728 175.356 174.600 0.046 0.000 0.975 471 S CA -0.066 58.182 58.200 0.081 0.000 0.918 471 S CB -0.201 63.068 63.200 0.115 0.000 0.772 471 S HN 0.645 nan 8.310 nan 0.000 0.531 472 R N 0.677 121.164 120.500 -0.022 0.000 2.500 472 R HA 0.270 4.610 4.340 0.000 0.000 0.277 472 R C 1.153 177.386 176.300 -0.112 0.000 1.026 472 R CA -0.628 55.382 56.100 -0.150 0.000 1.058 472 R CB 0.506 30.495 30.300 -0.517 0.000 1.078 472 R HN 0.083 nan 8.270 nan 0.000 0.509 473 Q N 1.330 121.069 119.800 -0.101 0.000 1.967 473 Q HA -0.147 4.193 4.340 0.000 0.000 0.210 473 Q C 1.003 176.963 176.000 -0.068 0.000 1.005 473 Q CA 2.311 58.075 55.803 -0.065 0.000 0.862 473 Q CB -0.403 28.302 28.738 -0.056 0.000 0.939 473 Q HN 0.860 nan 8.270 nan 0.000 0.417 474 G N -0.878 107.866 108.800 -0.094 0.000 4.222 474 G HA2 0.215 4.175 3.960 0.000 0.000 0.301 474 G HA3 0.215 4.175 3.960 0.000 0.000 0.301 474 G C 0.797 175.640 174.900 -0.096 0.000 1.171 474 G CA -0.287 44.766 45.100 -0.080 0.000 0.937 474 G HN 0.056 nan 8.290 nan 0.000 0.557 475 M N 0.042 119.575 119.600 -0.111 0.000 2.447 475 M HA 0.100 4.580 4.480 0.000 0.000 0.264 475 M C 1.919 178.200 176.300 -0.031 0.000 1.095 475 M CA 0.748 55.990 55.300 -0.096 0.000 1.125 475 M CB -0.083 32.432 32.600 -0.142 0.000 1.389 475 M HN 0.230 nan 8.290 nan 0.000 0.459 476 E N -0.056 120.132 120.200 -0.019 0.000 2.209 476 E HA -0.095 4.255 4.350 0.000 0.000 0.196 476 E C 1.837 178.441 176.600 0.007 0.000 0.993 476 E CA 1.350 57.754 56.400 0.006 0.000 0.819 476 E CB -0.519 29.188 29.700 0.011 0.000 0.745 476 E HN 0.558 nan 8.360 nan 0.000 0.477 477 G N -0.316 108.481 108.800 -0.005 0.000 3.126 477 G HA2 0.018 3.978 3.960 0.000 0.000 0.224 477 G HA3 0.018 3.978 3.960 0.000 0.000 0.224 477 G C 1.341 176.240 174.900 -0.003 0.000 1.142 477 G CA -0.186 44.916 45.100 0.002 0.000 0.759 477 G HN 0.128 nan 8.290 nan 0.000 0.550 478 V N 1.854 121.760 119.914 -0.013 0.000 2.720 478 V HA -0.172 3.948 4.120 0.000 0.000 0.256 478 V C 3.059 179.162 176.094 0.015 0.000 1.082 478 V CA 2.380 64.674 62.300 -0.009 0.000 1.101 478 V CB -0.652 31.161 31.823 -0.018 0.000 0.693 478 V HN 0.573 nan 8.190 nan 0.000 0.479 479 T N -1.623 112.936 114.554 0.008 0.000 2.818 479 T HA 0.093 4.443 4.350 0.000 0.000 0.246 479 T C -0.983 173.714 174.700 -0.006 0.000 1.036 479 T CA 0.737 62.835 62.100 -0.003 0.000 1.160 479 T CB -0.886 67.970 68.868 -0.020 0.000 0.869 479 T HN 0.467 nan 8.240 nan 0.000 0.419 480 P HA 0.610 nan 4.420 nan 0.000 0.305 480 P C -1.241 176.064 177.300 0.008 0.000 1.303 480 P CA -0.382 62.722 63.100 0.006 0.000 0.807 480 P CB 0.395 32.104 31.700 0.015 0.000 2.029 481 A N -1.212 121.619 122.820 0.018 0.000 2.330 481 A HA 0.798 5.118 4.320 0.000 0.000 0.327 481 A C 0.028 177.624 177.584 0.021 0.000 1.155 481 A CA -0.064 51.989 52.037 0.027 0.000 0.803 481 A CB 0.357 19.381 19.000 0.040 0.000 1.208 481 A HN 0.665 nan 8.150 nan 0.000 0.477 482 G N 0.918 109.731 108.800 0.023 0.000 2.356 482 G HA2 0.519 4.479 3.960 0.000 0.000 0.281 482 G HA3 0.519 4.479 3.960 0.000 0.000 0.281 482 G C -1.665 173.234 174.900 -0.001 0.000 1.246 482 G CA -0.095 45.010 45.100 0.008 0.000 0.889 482 G HN 1.740 nan 8.290 nan 0.000 0.486 483 N N -1.145 117.517 118.700 -0.064 0.000 2.504 483 N HA 0.655 5.395 4.740 0.000 0.000 0.268 483 N C -1.141 174.195 175.510 -0.290 0.000 1.184 483 N CA -0.852 52.082 53.050 -0.193 0.000 0.875 483 N CB 2.189 40.570 38.487 -0.177 0.000 1.630 483 N HN 0.736 nan 8.380 nan 0.000 0.486 484 R N 1.005 121.250 120.500 -0.425 0.000 2.569 484 R HA 0.441 4.781 4.340 0.000 0.000 0.293 484 R C -1.338 174.701 176.300 -0.435 0.000 1.186 484 R CA -0.351 55.558 56.100 -0.319 0.000 0.956 484 R CB 0.770 30.971 30.300 -0.165 0.000 1.196 484 R HN 0.910 nan 8.270 nan 0.000 0.444 485 S N 1.586 117.036 115.700 -0.417 0.000 2.690 485 S HA 0.680 5.150 4.470 0.000 0.000 0.291 485 S C -0.473 173.940 174.600 -0.311 0.000 1.138 485 S CA -0.667 57.282 58.200 -0.418 0.000 1.013 485 S CB 2.276 65.420 63.200 -0.094 0.000 1.053 485 S HN 0.389 nan 8.310 nan 0.000 0.539 486 V N 0.413 120.039 119.914 -0.481 0.000 2.624 486 V HA 0.713 4.833 4.120 0.000 0.000 0.294 486 V C -0.512 175.546 176.094 -0.059 0.000 1.077 486 V CA -0.295 61.856 62.300 -0.248 0.000 0.905 486 V CB 0.910 32.507 31.823 -0.377 0.000 1.025 486 V HN 1.463 nan 8.190 nan 0.000 0.440 487 A N 4.933 127.882 122.820 0.215 0.000 2.301 487 A HA 0.922 5.242 4.320 0.000 0.000 0.312 487 A C 0.124 177.830 177.584 0.203 0.000 1.182 487 A CA -0.267 51.972 52.037 0.335 0.000 0.826 487 A CB 1.202 20.387 19.000 0.307 0.000 1.134 487 A HN 1.135 nan 8.150 nan 0.000 0.501 488 S N 0.676 116.527 115.700 0.251 0.000 2.526 488 S HA 0.679 5.149 4.470 0.000 0.000 0.293 488 S C -1.253 173.523 174.600 0.293 0.000 1.092 488 S CA -0.406 57.946 58.200 0.252 0.000 0.980 488 S CB 1.429 64.800 63.200 0.286 0.000 1.048 488 S HN 0.690 nan 8.310 nan 0.000 0.483 489 L N 4.145 125.545 121.223 0.295 0.000 2.406 489 L HA 0.763 5.103 4.340 0.000 0.000 0.272 489 L C -1.495 175.543 176.870 0.280 0.000 0.980 489 L CA -0.459 54.516 54.840 0.225 0.000 0.831 489 L CB 0.864 43.045 42.059 0.204 0.000 1.253 489 L HN 0.682 nan 8.230 nan 0.000 0.406 490 F N 3.166 123.227 119.950 0.185 0.000 2.603 490 F HA 1.002 5.529 4.527 0.000 0.000 0.317 490 F C -0.763 175.152 175.800 0.192 0.000 1.066 490 F CA -1.006 57.095 58.000 0.169 0.000 0.941 490 F CB 1.915 41.001 39.000 0.145 0.000 1.291 490 F HN 0.592 nan 8.300 nan 0.000 0.472 491 A N 2.642 125.693 122.820 0.386 0.000 2.497 491 A HA 0.645 4.965 4.320 0.000 0.000 0.280 491 A C -1.908 175.867 177.584 0.318 0.000 1.065 491 A CA -0.746 51.481 52.037 0.317 0.000 0.781 491 A CB 0.640 19.741 19.000 0.168 0.000 1.289 491 A HN 0.717 nan 8.150 nan 0.000 0.415 492 N N 1.062 119.976 118.700 0.358 0.000 2.362 492 N HA 0.661 5.401 4.740 0.000 0.000 0.298 492 N C -1.367 174.291 175.510 0.246 0.000 1.048 492 N CA -0.442 52.765 53.050 0.261 0.000 0.858 492 N CB 2.170 40.792 38.487 0.224 0.000 1.218 492 N HN 0.551 nan 8.380 nan 0.000 0.488 493 L N 1.256 122.604 121.223 0.209 0.000 2.372 493 L HA 0.539 4.879 4.340 0.000 0.000 0.274 493 L C -0.696 176.294 176.870 0.200 0.000 0.988 493 L CA -0.122 54.857 54.840 0.232 0.000 0.833 493 L CB 1.532 43.738 42.059 0.246 0.000 1.236 493 L HN 0.449 nan 8.230 nan 0.000 0.410 494 T N 4.452 119.112 114.554 0.177 0.000 2.824 494 T HA 0.459 4.809 4.350 0.000 0.000 0.280 494 T C -1.647 173.101 174.700 0.079 0.000 0.995 494 T CA -0.076 62.087 62.100 0.106 0.000 1.009 494 T CB 0.974 69.867 68.868 0.043 0.000 0.955 494 T HN 0.402 nan 8.240 nan 0.000 0.452 495 Y N 2.403 122.607 120.300 -0.161 0.000 2.322 495 Y HA 0.494 5.044 4.550 0.000 0.000 0.324 495 Y C -1.618 174.078 175.900 -0.340 0.000 1.027 495 Y CA -1.309 56.542 58.100 -0.415 0.000 1.179 495 Y CB 0.926 39.130 38.460 -0.427 0.000 1.136 495 Y HN 0.505 nan 8.280 nan 0.000 0.449 496 D N 5.062 124.972 120.400 -0.817 0.000 2.217 496 D HA 0.233 4.873 4.640 0.000 0.000 0.243 496 D C -1.680 174.067 176.300 -0.922 0.000 1.054 496 D CA 0.081 53.635 54.000 -0.742 0.000 0.838 496 D CB 1.395 41.950 40.800 -0.409 0.000 1.162 496 D HN 0.580 nan 8.370 nan 0.000 0.472 497 Y N 1.610 121.289 120.300 -1.034 0.000 2.331 497 Y HA 0.238 4.788 4.550 0.000 0.000 0.334 497 Y C -0.321 175.137 175.900 -0.736 0.000 0.960 497 Y CA -0.753 56.784 58.100 -0.938 0.000 1.130 497 Y CB 0.998 38.855 38.460 -1.004 0.000 1.164 497 Y HN 0.280 nan 8.280 nan 0.000 0.458 498 D N 4.002 123.812 120.400 -0.983 0.000 2.983 498 D HA -0.217 4.423 4.640 0.000 0.000 0.225 498 D C 1.209 177.343 176.300 -0.278 0.000 1.174 498 D CA 1.976 55.591 54.000 -0.642 0.000 0.831 498 D CB -1.299 39.084 40.800 -0.694 0.000 1.104 498 D HN 1.280 nan 8.370 nan 0.000 0.421 499 G N -0.761 107.852 108.800 -0.312 0.000 2.187 499 G HA2 -0.325 3.635 3.960 0.000 0.000 0.261 499 G HA3 -0.325 3.635 3.960 0.000 0.000 0.261 499 G C 0.734 175.631 174.900 -0.006 0.000 1.000 499 G CA 0.986 46.000 45.100 -0.143 0.000 0.718 499 G HN 0.669 nan 8.290 nan 0.000 0.519 500 W N -2.367 118.860 121.300 -0.121 0.000 2.782 500 W HA 0.633 5.293 4.660 0.000 0.000 0.268 500 W C -0.072 176.440 176.519 -0.010 0.000 1.043 500 W CA -0.049 57.269 57.345 -0.046 0.000 1.387 500 W CB 0.133 29.574 29.460 -0.032 0.000 0.904 500 W HN 0.340 nan 8.180 nan 0.000 0.625 501 L N 2.967 123.724 121.223 -0.777 0.000 2.317 501 L HA 0.730 5.070 4.340 0.000 0.000 0.281 501 L C -0.863 175.746 176.870 -0.435 0.000 1.024 501 L CA 0.063 54.484 54.840 -0.697 0.000 0.810 501 L CB 2.148 43.488 42.059 -1.197 0.000 1.240 501 L HN -0.073 nan 8.230 nan 0.000 0.427 502 T N 6.032 120.453 114.554 -0.221 0.000 2.965 502 T HA 0.535 4.885 4.350 0.000 0.000 0.306 502 T C -1.110 173.563 174.700 -0.045 0.000 0.991 502 T CA -0.226 61.777 62.100 -0.162 0.000 1.001 502 T CB 0.909 69.730 68.868 -0.078 0.000 0.984 502 T HN 0.270 nan 8.240 nan 0.000 0.446 503 L N 3.274 124.493 121.223 -0.006 0.000 2.294 503 L HA 0.526 4.866 4.340 0.000 0.000 0.283 503 L C 0.164 177.105 176.870 0.117 0.000 1.015 503 L CA -0.384 54.523 54.840 0.111 0.000 0.831 503 L CB 1.326 43.522 42.059 0.228 0.000 1.217 503 L HN 0.643 nan 8.230 nan 0.000 0.420 504 E N 1.850 122.109 120.200 0.099 0.000 2.199 504 E HA 0.774 5.124 4.350 0.000 0.000 0.269 504 E C -0.707 175.957 176.600 0.106 0.000 0.899 504 E CA -0.653 55.805 56.400 0.096 0.000 0.772 504 E CB 1.748 31.488 29.700 0.067 0.000 1.155 504 E HN 0.684 nan 8.360 nan 0.000 0.408 505 G N 1.439 110.309 108.800 0.116 0.000 2.718 505 G HA2 0.728 4.688 3.960 0.000 0.000 0.295 505 G HA3 0.728 4.688 3.960 0.000 0.000 0.295 505 G C -0.872 174.101 174.900 0.122 0.000 1.421 505 G CA -0.273 44.894 45.100 0.113 0.000 0.902 505 G HN 0.736 nan 8.290 nan 0.000 0.501 506 G N -1.042 107.827 108.800 0.115 0.000 2.338 506 G HA2 0.668 4.628 3.960 0.000 0.000 0.295 506 G HA3 0.668 4.628 3.960 0.000 0.000 0.295 506 G C -1.729 173.246 174.900 0.124 0.000 1.461 506 G CA 0.025 45.206 45.100 0.135 0.000 0.817 506 G HN 1.720 nan 8.290 nan 0.000 0.556 507 L N -1.981 119.334 121.223 0.153 0.000 2.415 507 L HA 1.009 5.349 4.340 0.000 0.000 0.256 507 L C -0.451 176.545 176.870 0.210 0.000 1.010 507 L CA -1.360 53.569 54.840 0.149 0.000 0.826 507 L CB 2.231 44.365 42.059 0.124 0.000 1.405 507 L HN 0.901 nan 8.230 nan 0.000 0.410 508 R N 0.883 121.505 120.500 0.203 0.000 2.538 508 R HA 0.494 4.834 4.340 0.000 0.000 0.292 508 R C -2.192 174.263 176.300 0.259 0.000 1.008 508 R CA -0.562 55.696 56.100 0.263 0.000 0.896 508 R CB 1.584 32.023 30.300 0.231 0.000 1.187 508 R HN 0.875 nan 8.270 nan 0.000 0.440 509 Y N 4.383 124.771 120.300 0.147 0.000 2.331 509 Y HA 0.367 4.917 4.550 0.000 0.000 0.338 509 Y C -1.108 174.884 175.900 0.152 0.000 0.976 509 Y CA -0.416 57.747 58.100 0.104 0.000 1.137 509 Y CB 1.221 39.721 38.460 0.066 0.000 1.172 509 Y HN 0.638 nan 8.280 nan 0.000 0.478 510 D N 5.069 125.216 120.400 -0.421 0.000 2.272 510 D HA 0.471 5.111 4.640 0.000 0.000 0.247 510 D C -1.040 175.010 176.300 -0.416 0.000 0.990 510 D CA -0.647 53.230 54.000 -0.206 0.000 0.931 510 D CB 1.939 42.870 40.800 0.218 0.000 1.195 510 D HN 0.665 nan 8.370 nan 0.000 0.477 511 R N -0.064 120.407 120.500 -0.048 0.000 2.535 511 R HA 0.452 4.792 4.340 0.000 0.000 0.274 511 R C -2.014 174.427 176.300 0.234 0.000 1.090 511 R CA -0.947 55.209 56.100 0.093 0.000 0.930 511 R CB 0.423 30.716 30.300 -0.011 0.000 1.223 511 R HN 0.538 nan 8.270 nan 0.000 0.441 512 Y N 0.486 120.848 120.300 0.104 0.000 2.524 512 Y HA 0.814 5.364 4.550 0.000 0.000 0.344 512 Y C -1.009 174.890 175.900 -0.001 0.000 1.012 512 Y CA -1.385 56.711 58.100 -0.007 0.000 1.068 512 Y CB 2.059 40.458 38.460 -0.101 0.000 1.249 512 Y HN 0.784 nan 8.280 nan 0.000 0.468 513 R N 3.698 124.030 120.500 -0.280 0.000 2.473 513 R HA 0.528 4.868 4.340 0.000 0.000 0.303 513 R C -2.567 173.568 176.300 -0.275 0.000 1.002 513 R CA -0.686 55.209 56.100 -0.343 0.000 0.884 513 R CB 1.241 31.468 30.300 -0.122 0.000 1.173 513 R HN 0.855 nan 8.270 nan 0.000 0.464 514 L N 4.337 125.365 121.223 -0.325 0.000 2.298 514 L HA 0.624 4.964 4.340 0.000 0.000 0.284 514 L C -0.972 175.825 176.870 -0.121 0.000 1.013 514 L CA -0.130 54.621 54.840 -0.150 0.000 0.824 514 L CB 1.139 43.191 42.059 -0.012 0.000 1.221 514 L HN 0.677 nan 8.230 nan 0.000 0.418 515 R N 3.302 123.748 120.500 -0.090 0.000 2.750 515 R HA 0.947 5.287 4.340 0.000 0.000 0.281 515 R C -0.822 175.461 176.300 -0.028 0.000 0.972 515 R CA -0.832 55.239 56.100 -0.049 0.000 0.912 515 R CB 2.264 32.552 30.300 -0.021 0.000 1.187 515 R HN 0.882 nan 8.270 nan 0.000 0.464 516 G N 1.297 110.094 108.800 -0.006 0.000 2.358 516 G HA2 0.146 4.106 3.960 0.000 0.000 0.301 516 G HA3 0.146 4.106 3.960 0.000 0.000 0.301 516 G C -1.897 173.022 174.900 0.032 0.000 1.539 516 G CA -0.892 44.215 45.100 0.011 0.000 0.893 516 G HN 0.294 nan 8.290 nan 0.000 0.636 517 Q N -0.439 119.388 119.800 0.045 0.000 2.214 517 Q HA 0.875 5.215 4.340 0.000 0.000 0.251 517 Q C 0.085 176.136 176.000 0.085 0.000 0.936 517 Q CA -0.307 55.536 55.803 0.067 0.000 0.894 517 Q CB 2.095 30.865 28.738 0.054 0.000 1.252 517 Q HN 0.792 nan 8.270 nan 0.000 0.448 518 T N -0.478 114.154 114.554 0.130 0.000 2.977 518 T HA 0.712 5.062 4.350 0.000 0.000 0.345 518 T C -1.156 173.676 174.700 0.220 0.000 1.562 518 T CA -0.173 62.025 62.100 0.163 0.000 1.090 518 T CB 0.896 69.869 68.868 0.174 0.000 1.383 518 T HN 0.670 nan 8.240 nan 0.000 0.484 519 G N 1.327 110.243 108.800 0.194 0.000 3.042 519 G HA2 0.888 4.848 3.960 0.000 0.000 0.278 519 G HA3 0.888 4.848 3.960 0.000 0.000 0.278 519 G C -1.700 173.352 174.900 0.254 0.000 1.371 519 G CA -0.777 44.425 45.100 0.171 0.000 1.009 519 G HN 1.072 nan 8.290 nan 0.000 0.523 520 L N -0.529 120.823 121.223 0.214 0.000 2.735 520 L HA 0.554 4.894 4.340 0.000 0.000 0.258 520 L C -1.054 175.932 176.870 0.194 0.000 0.920 520 L CA -0.460 54.562 54.840 0.303 0.000 0.958 520 L CB 1.805 44.108 42.059 0.407 0.000 1.499 520 L HN 0.590 nan 8.230 nan 0.000 0.441 521 S N 2.716 118.530 115.700 0.190 0.000 2.501 521 S HA 0.825 5.295 4.470 0.000 0.000 0.301 521 S C -1.559 173.101 174.600 0.099 0.000 1.096 521 S CA -0.383 57.845 58.200 0.046 0.000 1.063 521 S CB 1.489 64.701 63.200 0.020 0.000 1.042 521 S HN 0.542 nan 8.310 nan 0.000 0.494 522 Y N -0.619 119.674 120.300 -0.013 0.000 2.534 522 Y HA 0.654 5.204 4.550 0.000 0.000 0.345 522 Y C -3.414 172.466 175.900 -0.032 0.000 1.031 522 Y CA -3.174 54.901 58.100 -0.041 0.000 1.022 522 Y CB 0.284 38.693 38.460 -0.086 0.000 1.292 522 Y HN 0.327 nan 8.280 nan 0.000 0.459 523 P HA 0.091 nan 4.420 nan 0.000 0.261 523 P C -0.918 176.448 177.300 0.111 0.000 1.203 523 P CA 0.741 63.882 63.100 0.069 0.000 0.767 523 P CB 0.565 32.304 31.700 0.065 0.000 0.785 524 D N 2.256 122.669 120.400 0.023 0.000 2.477 524 D HA 0.346 4.986 4.640 0.000 0.000 0.234 524 D C -1.100 175.223 176.300 0.038 0.000 1.048 524 D CA -0.520 53.508 54.000 0.047 0.000 0.959 524 D CB 1.250 42.036 40.800 -0.025 0.000 1.408 524 D HN 0.028 nan 8.370 nan 0.000 0.496 525 L N 2.388 123.650 121.223 0.066 0.000 2.603 525 L HA 0.690 5.030 4.340 0.000 0.000 0.242 525 L C -0.845 176.153 176.870 0.213 0.000 1.169 525 L CA 0.011 54.944 54.840 0.156 0.000 1.029 525 L CB -0.759 41.396 42.059 0.160 0.000 1.361 525 L HN 0.541 nan 8.230 nan 0.000 0.439 526 A N 2.412 125.279 122.820 0.079 0.000 2.548 526 A HA 0.721 5.041 4.320 0.000 0.000 0.282 526 A C 0.043 177.529 177.584 -0.163 0.000 1.288 526 A CA -0.340 51.569 52.037 -0.213 0.000 0.748 526 A CB 2.239 21.127 19.000 -0.186 0.000 1.339 526 A HN 0.395 nan 8.150 nan 0.000 0.475 527 K N -1.690 118.537 120.400 -0.288 0.000 2.804 527 K HA 0.197 4.517 4.320 0.000 0.000 0.248 527 K C -1.000 175.544 176.600 -0.094 0.000 1.516 527 K CA 0.113 56.337 56.287 -0.106 0.000 0.881 527 K CB 0.492 32.961 32.500 -0.052 0.000 1.964 527 K HN 0.520 nan 8.250 nan 0.000 0.358 528 D N 0.677 121.014 120.400 -0.105 0.000 3.139 528 D HA 0.252 4.892 4.640 0.000 0.000 0.268 528 D C 0.127 176.372 176.300 -0.091 0.000 1.322 528 D CA 0.517 54.472 54.000 -0.076 0.000 0.940 528 D CB 0.549 41.320 40.800 -0.049 0.000 1.050 528 D HN 0.758 nan 8.370 nan 0.000 0.503 529 G N 0.954 109.689 108.800 -0.108 0.000 2.179 529 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 529 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 529 G C 0.398 175.227 174.900 -0.117 0.000 0.977 529 G CA -0.240 44.799 45.100 -0.102 0.000 0.641 529 G HN 0.346 nan 8.290 nan 0.000 0.533 530 Q N 0.535 120.235 119.800 -0.166 0.000 2.421 530 Q HA 0.295 4.635 4.340 0.000 0.000 0.242 530 Q C 0.628 176.437 176.000 -0.318 0.000 1.024 530 Q CA -0.479 55.203 55.803 -0.201 0.000 0.891 530 Q CB 1.056 29.676 28.738 -0.197 0.000 1.222 530 Q HN 0.617 nan 8.270 nan 0.000 0.483 531 R N 2.651 123.036 120.500 -0.191 0.000 2.449 531 R HA 0.028 4.368 4.340 0.000 0.000 0.296 531 R C -0.886 175.344 176.300 -0.117 0.000 1.047 531 R CA -0.119 55.891 56.100 -0.150 0.000 1.018 531 R CB 0.332 30.612 30.300 -0.033 0.000 0.962 531 R HN 0.314 nan 8.270 nan 0.000 0.428 532 Y N 4.109 124.452 120.300 0.073 0.000 2.637 532 Y HA 0.041 4.591 4.550 0.000 0.000 0.350 532 Y C 0.944 176.934 175.900 0.150 0.000 1.069 532 Y CA 0.252 58.419 58.100 0.112 0.000 1.397 532 Y CB 0.377 38.925 38.460 0.146 0.000 1.163 532 Y HN 0.636 nan 8.280 nan 0.000 0.527 533 T N -1.159 113.545 114.554 0.250 0.000 2.870 533 T HA 0.286 4.636 4.350 0.000 0.000 0.277 533 T C 1.032 175.776 174.700 0.074 0.000 1.000 533 T CA -0.765 61.447 62.100 0.187 0.000 0.982 533 T CB 0.971 69.889 68.868 0.084 0.000 1.249 533 T HN 0.375 nan 8.240 nan 0.000 0.589 534 I N 1.511 121.998 120.570 -0.138 0.000 2.264 534 I HA -0.106 4.064 4.170 0.000 0.000 0.248 534 I C 1.349 177.286 176.117 -0.301 0.000 1.111 534 I CA 1.865 62.823 61.300 -0.570 0.000 1.382 534 I CB -0.622 37.093 38.000 -0.474 0.000 1.060 534 I HN 0.808 nan 8.210 nan 0.000 0.418 535 D N -1.223 119.101 120.400 -0.125 0.000 2.342 535 D HA 0.068 4.708 4.640 0.000 0.000 0.221 535 D C 0.204 176.500 176.300 -0.006 0.000 1.101 535 D CA 0.039 54.000 54.000 -0.065 0.000 0.837 535 D CB -0.725 40.048 40.800 -0.045 0.000 0.938 535 D HN 0.355 nan 8.370 nan 0.000 0.508 536 N N 0.437 119.160 118.700 0.038 0.000 2.732 536 N HA 0.248 4.989 4.740 0.000 0.000 0.235 536 N C -3.007 172.659 175.510 0.260 0.000 1.466 536 N CA -1.330 51.795 53.050 0.125 0.000 0.751 536 N CB 1.154 39.705 38.487 0.107 0.000 1.317 536 N HN -0.174 nan 8.380 nan 0.000 0.525 537 P HA 0.076 nan 4.420 nan 0.000 0.274 537 P C 0.691 178.044 177.300 0.088 0.000 1.260 537 P CA -0.405 62.806 63.100 0.185 0.000 0.793 537 P CB 0.967 32.730 31.700 0.106 0.000 1.048 538 c N -0.447 118.025 118.600 -0.213 0.000 2.527 538 c HA 0.158 4.728 4.570 0.000 0.000 0.280 538 c C 1.277 175.249 174.090 -0.196 0.000 1.353 538 c CA 0.653 56.577 56.329 -0.676 0.000 1.749 538 c CB -1.647 40.334 42.510 -0.881 0.000 2.088 538 c HN 0.584 nan 8.230 nan 0.000 0.508 539 K N -0.409 119.957 120.400 -0.057 0.000 3.547 539 K HA -0.160 4.160 4.320 0.000 0.000 0.309 539 K C 0.252 176.860 176.600 0.012 0.000 1.324 539 K CA 1.000 57.283 56.287 -0.007 0.000 0.988 539 K CB -2.106 30.401 32.500 0.010 0.000 1.261 539 K HN 0.719 nan 8.250 nan 0.000 0.444 540 A N -0.109 122.728 122.820 0.028 0.000 2.280 540 A HA 0.506 4.826 4.320 0.000 0.000 0.268 540 A C 1.273 178.931 177.584 0.123 0.000 1.111 540 A CA 0.217 52.288 52.037 0.058 0.000 0.814 540 A CB 0.243 19.257 19.000 0.023 0.000 1.093 540 A HN 0.190 nan 8.150 nan 0.000 0.498 541 L N -1.192 120.090 121.223 0.098 0.000 2.298 541 L HA 0.319 4.659 4.340 0.000 0.000 0.209 541 L C 0.745 177.724 176.870 0.182 0.000 1.084 541 L CA 1.249 56.156 54.840 0.111 0.000 0.816 541 L CB -0.412 41.679 42.059 0.053 0.000 0.967 541 L HN 0.705 nan 8.230 nan 0.000 0.460 542 R N -1.718 118.845 120.500 0.104 0.000 2.873 542 R HA 0.409 4.749 4.340 0.000 0.000 0.264 542 R C 0.836 177.010 176.300 -0.210 0.000 1.026 542 R CA -0.588 55.521 56.100 0.015 0.000 1.002 542 R CB 0.672 30.958 30.300 -0.023 0.000 1.174 542 R HN -0.083 nan 8.270 nan 0.000 0.488 543 L N 0.492 121.444 121.223 -0.453 0.000 2.141 543 L HA -0.132 4.208 4.340 0.000 0.000 0.209 543 L C 1.753 178.459 176.870 -0.274 0.000 1.094 543 L CA 1.750 56.214 54.840 -0.626 0.000 0.763 543 L CB -0.439 41.250 42.059 -0.617 0.000 0.908 543 L HN 0.926 nan 8.230 nan 0.000 0.437 544 T N -3.569 110.887 114.554 -0.164 0.000 2.897 544 T HA -0.133 4.217 4.350 0.000 0.000 0.271 544 T C 1.539 176.205 174.700 -0.057 0.000 1.084 544 T CA 1.110 63.160 62.100 -0.083 0.000 1.123 544 T CB -0.584 68.253 68.868 -0.053 0.000 0.865 544 T HN 0.410 nan 8.240 nan 0.000 0.496 545 G N -1.110 107.649 108.800 -0.068 0.000 3.371 545 G HA2 0.304 4.264 3.960 0.000 0.000 0.248 545 G HA3 0.304 4.264 3.960 0.000 0.000 0.248 545 G C 0.908 175.793 174.900 -0.025 0.000 1.161 545 G CA 0.168 45.250 45.100 -0.029 0.000 0.796 545 G HN 0.599 nan 8.290 nan 0.000 0.539 546 c N 0.039 118.608 118.600 -0.050 0.000 3.637 546 c HA 0.295 4.865 4.570 0.000 0.000 0.439 546 c C 1.513 175.671 174.090 0.112 0.000 1.443 546 c CA -0.054 56.273 56.329 -0.004 0.000 2.037 546 c CB -0.350 42.056 42.510 -0.174 0.000 2.957 546 c HN 0.444 nan 8.230 nan 0.000 0.669 547 S N 1.344 117.065 115.700 0.035 0.000 2.592 547 S HA 0.672 5.143 4.470 0.000 0.000 0.271 547 S C -0.342 174.283 174.600 0.042 0.000 1.326 547 S CA 0.331 58.558 58.200 0.044 0.000 1.024 547 S CB 0.858 64.065 63.200 0.012 0.000 0.921 547 S HN 0.449 nan 8.310 nan 0.000 0.527 548 T N 0.510 115.078 114.554 0.024 0.000 2.749 548 T HA 0.484 4.834 4.350 0.000 0.000 0.310 548 T C -0.910 173.762 174.700 -0.047 0.000 1.496 548 T CA -0.780 61.315 62.100 -0.009 0.000 1.006 548 T CB 1.648 70.509 68.868 -0.013 0.000 1.457 548 T HN 0.782 nan 8.240 nan 0.000 0.497 549 T N 1.232 115.741 114.554 -0.076 0.000 2.779 549 T HA 0.609 4.959 4.350 0.000 0.000 0.280 549 T C -0.825 173.749 174.700 -0.210 0.000 0.987 549 T CA -0.221 61.802 62.100 -0.128 0.000 0.966 549 T CB 0.636 69.455 68.868 -0.081 0.000 0.933 549 T HN 0.536 nan 8.240 nan 0.000 0.442 550 T N 4.846 119.161 114.554 -0.399 0.000 2.779 550 T HA 0.508 4.858 4.350 0.000 0.000 0.280 550 T C -0.296 174.097 174.700 -0.512 0.000 0.987 550 T CA -0.666 61.141 62.100 -0.488 0.000 0.966 550 T CB 1.002 69.478 68.868 -0.654 0.000 0.933 550 T HN 0.567 nan 8.240 nan 0.000 0.442 551 R N 2.461 122.792 120.500 -0.281 0.000 2.368 551 R HA 0.458 4.798 4.340 0.000 0.000 0.302 551 R C -0.584 175.614 176.300 -0.171 0.000 1.002 551 R CA -0.514 55.477 56.100 -0.181 0.000 0.929 551 R CB 0.678 30.913 30.300 -0.110 0.000 1.073 551 R HN 0.658 nan 8.270 nan 0.000 0.464 552 E N 2.806 122.926 120.200 -0.134 0.000 2.216 552 E HA 0.241 4.591 4.350 0.000 0.000 0.260 552 E C -1.288 175.074 176.600 -0.397 0.000 0.880 552 E CA -0.724 55.514 56.400 -0.270 0.000 0.765 552 E CB 0.970 30.539 29.700 -0.218 0.000 1.174 552 E HN 0.576 nan 8.360 nan 0.000 0.417 553 D N 4.257 124.401 120.400 -0.426 0.000 2.256 553 D HA 0.214 4.854 4.640 0.000 0.000 0.240 553 D C -1.070 174.998 176.300 -0.388 0.000 1.062 553 D CA -0.164 53.657 54.000 -0.299 0.000 0.832 553 D CB 0.616 41.337 40.800 -0.132 0.000 1.135 553 D HN 0.324 nan 8.370 nan 0.000 0.484 554 W N 0.960 122.280 121.300 0.034 0.000 2.429 554 W HA 0.221 4.881 4.660 0.000 0.000 0.314 554 W C 0.479 176.993 176.519 -0.009 0.000 1.062 554 W CA -0.827 56.523 57.345 0.009 0.000 1.211 554 W CB 1.063 30.509 29.460 -0.024 0.000 1.305 554 W HN 0.147 nan 8.180 nan 0.000 0.476 555 D N 3.230 123.751 120.400 0.200 0.000 2.557 555 D HA 0.146 4.786 4.640 0.000 0.000 0.236 555 D C -0.416 175.937 176.300 0.088 0.000 1.154 555 D CA -0.248 53.819 54.000 0.112 0.000 0.985 555 D CB 0.378 41.220 40.800 0.069 0.000 1.010 555 D HN 0.015 nan 8.370 nan 0.000 0.516 556 V N 2.879 122.833 119.914 0.066 0.000 2.557 556 V HA 0.081 4.201 4.120 0.000 0.000 0.301 556 V C 0.681 176.760 176.094 -0.025 0.000 1.026 556 V CA 0.554 62.846 62.300 -0.013 0.000 1.137 556 V CB 0.977 32.764 31.823 -0.060 0.000 0.917 556 V HN 0.445 nan 8.190 nan 0.000 0.484 557 D N 4.215 124.588 120.400 -0.044 0.000 3.118 557 D HA 0.163 4.803 4.640 0.000 0.000 0.259 557 D C -0.014 176.234 176.300 -0.085 0.000 1.292 557 D CA -0.551 53.415 54.000 -0.056 0.000 0.784 557 D CB 0.493 41.279 40.800 -0.022 0.000 1.413 557 D HN 0.661 nan 8.370 nan 0.000 0.583 558 R N 0.718 121.137 120.500 -0.135 0.000 2.598 558 R HA 0.780 5.120 4.340 0.000 0.000 0.279 558 R C -0.864 175.219 176.300 -0.361 0.000 0.984 558 R CA -0.763 55.243 56.100 -0.157 0.000 0.999 558 R CB 1.292 31.540 30.300 -0.086 0.000 1.114 558 R HN 0.102 nan 8.270 nan 0.000 0.493 559 D N -0.101 120.121 120.400 -0.296 0.000 2.706 559 D HA 0.236 4.876 4.640 0.000 0.000 0.225 559 D C -1.233 175.026 176.300 -0.067 0.000 1.241 559 D CA -0.791 52.961 54.000 -0.412 0.000 0.784 559 D CB 1.373 42.012 40.800 -0.268 0.000 1.521 559 D HN 0.755 nan 8.370 nan 0.000 0.461 560 Q N 0.067 119.931 119.800 0.106 0.000 2.804 560 Q HA 0.686 5.026 4.340 0.000 0.000 0.302 560 Q C -1.308 174.833 176.000 0.236 0.000 0.885 560 Q CA -1.525 54.407 55.803 0.216 0.000 0.759 560 Q CB 1.228 30.131 28.738 0.274 0.000 1.465 560 Q HN 0.700 nan 8.270 nan 0.000 0.432 561 G N 0.068 108.900 108.800 0.054 0.000 2.568 561 G HA2 0.730 4.690 3.960 0.000 0.000 0.313 561 G HA3 0.730 4.690 3.960 0.000 0.000 0.313 561 G C -1.609 173.011 174.900 -0.468 0.000 1.227 561 G CA -0.675 44.334 45.100 -0.151 0.000 0.979 561 G HN 0.548 nan 8.290 nan 0.000 0.486 562 K N -0.503 119.524 120.400 -0.621 0.000 2.580 562 K HA 0.451 4.771 4.320 0.000 0.000 0.258 562 K C -1.999 174.500 176.600 -0.170 0.000 0.936 562 K CA -0.647 55.259 56.287 -0.634 0.000 0.852 562 K CB 1.637 33.105 32.500 -1.721 0.000 1.329 562 K HN 0.475 nan 8.250 nan 0.000 0.430 563 L N 2.373 123.613 121.223 0.029 0.000 2.307 563 L HA 0.707 5.047 4.340 0.000 0.000 0.282 563 L C -1.115 175.790 176.870 0.058 0.000 1.051 563 L CA 0.395 55.320 54.840 0.141 0.000 0.804 563 L CB 1.764 43.899 42.059 0.127 0.000 1.197 563 L HN 0.638 nan 8.230 nan 0.000 0.431 564 S N 5.573 121.329 115.700 0.093 0.000 2.707 564 S HA 0.600 5.070 4.470 0.000 0.000 0.303 564 S C -2.678 171.960 174.600 0.063 0.000 1.132 564 S CA -0.860 57.380 58.200 0.067 0.000 1.046 564 S CB 1.615 64.864 63.200 0.082 0.000 1.004 564 S HN 0.464 nan 8.310 nan 0.000 0.483 565 P HA 0.498 nan 4.420 nan 0.000 0.286 565 P C -0.818 176.480 177.300 -0.002 0.000 1.261 565 P CA -0.532 62.598 63.100 0.050 0.000 0.821 565 P CB 0.910 32.661 31.700 0.086 0.000 1.013 566 T N -0.011 114.559 114.554 0.025 0.000 2.928 566 T HA 0.717 5.068 4.350 0.000 0.000 0.296 566 T C -0.866 173.863 174.700 0.050 0.000 1.000 566 T CA -0.628 61.469 62.100 -0.006 0.000 0.989 566 T CB 0.332 69.193 68.868 -0.012 0.000 1.005 566 T HN -0.009 nan 8.240 nan 0.000 0.442 567 L N 1.830 123.092 121.223 0.065 0.000 2.354 567 L HA 1.005 5.345 4.340 0.000 0.000 0.264 567 L C -0.234 176.697 176.870 0.102 0.000 1.008 567 L CA -0.781 54.120 54.840 0.102 0.000 0.819 567 L CB 2.109 44.249 42.059 0.135 0.000 1.339 567 L HN 1.179 nan 8.230 nan 0.000 0.420 568 A N 1.288 124.177 122.820 0.115 0.000 2.566 568 A HA 0.865 5.185 4.320 0.000 0.000 0.297 568 A C -1.895 175.775 177.584 0.144 0.000 1.059 568 A CA -0.535 51.585 52.037 0.137 0.000 0.691 568 A CB 1.751 20.814 19.000 0.104 0.000 1.282 568 A HN 0.350 nan 8.150 nan 0.000 0.401 569 V N 0.535 120.559 119.914 0.183 0.000 2.686 569 V HA 0.850 4.970 4.120 0.000 0.000 0.306 569 V C -0.047 176.171 176.094 0.207 0.000 1.065 569 V CA 0.052 62.454 62.300 0.169 0.000 0.894 569 V CB 1.747 33.674 31.823 0.173 0.000 1.004 569 V HN 1.826 nan 8.190 nan 0.000 0.424 570 A N 4.204 127.122 122.820 0.163 0.000 2.408 570 A HA 0.922 5.242 4.320 0.000 0.000 0.295 570 A C -1.005 176.681 177.584 0.169 0.000 1.040 570 A CA -0.558 51.599 52.037 0.200 0.000 0.707 570 A CB 1.936 21.035 19.000 0.165 0.000 1.235 570 A HN 1.595 nan 8.150 nan 0.000 0.418 571 V N -0.104 119.950 119.914 0.233 0.000 2.789 571 V HA 0.723 4.843 4.120 0.000 0.000 0.311 571 V C -0.508 175.763 176.094 0.295 0.000 1.073 571 V CA -1.095 61.390 62.300 0.309 0.000 0.921 571 V CB 1.764 33.818 31.823 0.385 0.000 1.009 571 V HN 0.817 nan 8.190 nan 0.000 0.426 572 R N 4.060 124.765 120.500 0.340 0.000 2.204 572 R HA 0.383 4.723 4.340 0.000 0.000 0.341 572 R C -1.928 174.471 176.300 0.166 0.000 1.035 572 R CA -1.464 54.782 56.100 0.243 0.000 0.887 572 R CB 1.190 31.628 30.300 0.230 0.000 1.114 572 R HN 0.598 nan 8.270 nan 0.000 0.473 573 P HA -0.235 nan 4.420 nan 0.000 0.211 573 P C 0.889 178.149 177.300 -0.067 0.000 0.906 573 P CA 1.545 64.659 63.100 0.023 0.000 1.017 573 P CB 0.229 31.945 31.700 0.026 0.000 0.717 574 G N -2.952 105.817 108.800 -0.051 0.000 4.165 574 G HA2 0.443 4.403 3.960 0.000 0.000 0.287 574 G HA3 0.443 4.403 3.960 0.000 0.000 0.287 574 G C -0.929 173.942 174.900 -0.048 0.000 1.019 574 G CA 0.158 45.200 45.100 -0.095 0.000 0.806 574 G HN 0.448 nan 8.290 nan 0.000 0.447 575 V N -0.841 119.084 119.914 0.018 0.000 3.108 575 V HA 0.340 4.460 4.120 0.000 0.000 0.287 575 V C -0.136 176.042 176.094 0.140 0.000 1.436 575 V CA -0.596 61.745 62.300 0.068 0.000 1.001 575 V CB 1.950 33.814 31.823 0.068 0.000 1.141 575 V HN 0.260 nan 8.190 nan 0.000 0.443 576 E N 4.484 124.765 120.200 0.136 0.000 2.516 576 E HA -0.131 4.219 4.350 0.000 0.000 0.199 576 E C 1.300 178.004 176.600 0.174 0.000 1.069 576 E CA 1.101 57.583 56.400 0.136 0.000 0.876 576 E CB 0.120 29.878 29.700 0.096 0.000 0.843 576 E HN 0.813 nan 8.360 nan 0.000 0.530 577 W N 1.671 122.986 121.300 0.024 0.000 2.321 577 W HA -0.100 4.560 4.660 0.000 0.000 0.306 577 W C 0.331 176.883 176.519 0.056 0.000 1.217 577 W CA 1.047 58.408 57.345 0.025 0.000 1.257 577 W CB -0.013 29.446 29.460 -0.002 0.000 1.145 577 W HN 0.058 nan 8.180 nan 0.000 0.509 578 L N 0.510 121.898 121.223 0.274 0.000 2.376 578 L HA 0.433 4.773 4.340 0.000 0.000 0.258 578 L C -1.088 175.906 176.870 0.206 0.000 1.013 578 L CA -0.634 54.329 54.840 0.206 0.000 0.822 578 L CB 2.182 44.447 42.059 0.344 0.000 1.388 578 L HN -0.118 nan 8.230 nan 0.000 0.413 579 E N 3.416 123.758 120.200 0.236 0.000 2.281 579 E HA 0.418 4.768 4.350 0.000 0.000 0.266 579 E C -1.900 174.906 176.600 0.343 0.000 0.893 579 E CA -0.603 55.951 56.400 0.256 0.000 0.798 579 E CB 1.625 31.458 29.700 0.222 0.000 1.245 579 E HN 0.609 nan 8.360 nan 0.000 0.410 580 L N 4.668 126.065 121.223 0.291 0.000 2.379 580 L HA 0.563 4.903 4.340 0.000 0.000 0.269 580 L C -0.512 176.562 176.870 0.340 0.000 1.084 580 L CA -0.826 54.182 54.840 0.280 0.000 0.802 580 L CB 0.651 42.813 42.059 0.172 0.000 1.175 580 L HN 0.572 nan 8.230 nan 0.000 0.448 581 Y N -0.557 119.858 120.300 0.191 0.000 2.656 581 Y HA 0.747 5.297 4.550 0.000 0.000 0.334 581 Y C -1.165 174.843 175.900 0.180 0.000 1.179 581 Y CA -0.987 57.211 58.100 0.163 0.000 1.050 581 Y CB 1.812 40.352 38.460 0.133 0.000 1.308 581 Y HN 0.377 nan 8.280 nan 0.000 0.456 582 T N 1.832 116.594 114.554 0.346 0.000 3.032 582 T HA 0.581 4.931 4.350 0.000 0.000 0.312 582 T C -1.224 173.690 174.700 0.358 0.000 1.078 582 T CA -0.645 61.639 62.100 0.307 0.000 1.028 582 T CB 1.548 70.592 68.868 0.294 0.000 1.091 582 T HN 0.952 nan 8.240 nan 0.000 0.457 583 T N 0.708 115.470 114.554 0.347 0.000 2.848 583 T HA 0.737 5.087 4.350 0.000 0.000 0.285 583 T C -1.290 173.489 174.700 0.132 0.000 0.995 583 T CA -0.830 61.406 62.100 0.226 0.000 0.970 583 T CB 1.561 70.541 68.868 0.187 0.000 0.976 583 T HN 0.598 nan 8.240 nan 0.000 0.441 584 Y N 1.367 121.558 120.300 -0.182 0.000 2.499 584 Y HA 0.750 5.300 4.550 0.000 0.000 0.347 584 Y C -0.239 175.484 175.900 -0.295 0.000 0.987 584 Y CA -0.174 57.623 58.100 -0.505 0.000 1.044 584 Y CB 2.029 39.868 38.460 -1.034 0.000 1.245 584 Y HN 1.266 nan 8.280 nan 0.000 0.461 585 G N 3.981 112.058 108.800 -1.205 0.000 2.579 585 G HA2 0.467 4.427 3.960 0.000 0.000 0.292 585 G HA3 0.467 4.427 3.960 0.000 0.000 0.292 585 G C -2.325 172.144 174.900 -0.717 0.000 1.484 585 G CA -1.283 43.348 45.100 -0.782 0.000 0.813 585 G HN 0.571 nan 8.290 nan 0.000 0.515 586 K N 0.016 120.181 120.400 -0.390 0.000 2.318 586 K HA 0.820 5.140 4.320 0.000 0.000 0.249 586 K C -0.433 176.131 176.600 -0.059 0.000 0.942 586 K CA -0.804 55.367 56.287 -0.193 0.000 0.808 586 K CB 2.424 34.864 32.500 -0.101 0.000 1.189 586 K HN 0.486 nan 8.250 nan 0.000 0.428 587 S N 0.680 116.389 115.700 0.014 0.000 2.732 587 S HA 0.713 5.184 4.470 0.000 0.000 0.293 587 S C -2.141 172.586 174.600 0.212 0.000 1.159 587 S CA -0.672 57.580 58.200 0.087 0.000 0.847 587 S CB 0.954 64.174 63.200 0.034 0.000 1.169 587 S HN 0.622 nan 8.310 nan 0.000 0.501 588 W N 2.616 123.895 121.300 -0.035 0.000 3.651 588 W HA 0.514 5.174 4.660 0.000 0.000 0.322 588 W C -1.611 174.859 176.519 -0.081 0.000 1.132 588 W CA -0.395 56.923 57.345 -0.046 0.000 1.277 588 W CB 0.623 30.061 29.460 -0.037 0.000 1.249 588 W HN 0.799 nan 8.180 nan 0.000 0.448 589 R N 5.362 125.489 120.500 -0.623 0.000 2.439 589 R HA 0.766 5.106 4.340 0.000 0.000 0.310 589 R C -2.842 172.831 176.300 -1.046 0.000 0.955 589 R CA -1.798 53.844 56.100 -0.762 0.000 0.853 589 R CB 2.059 32.123 30.300 -0.392 0.000 1.171 589 R HN 0.053 nan 8.270 nan 0.000 0.449 590 P HA 0.211 nan 4.420 nan 0.000 0.272 590 P C -2.479 174.323 177.300 -0.830 0.000 1.240 590 P CA -1.474 60.820 63.100 -1.343 0.000 0.791 590 P CB 0.033 30.349 31.700 -2.306 0.000 0.978 591 P HA 0.077 nan 4.420 nan 0.000 0.268 591 P C -0.550 176.495 177.300 -0.424 0.000 1.208 591 P CA 0.416 63.258 63.100 -0.430 0.000 0.777 591 P CB 0.184 31.726 31.700 -0.263 0.000 0.875 592 A N 2.426 124.933 122.820 -0.522 0.000 2.264 592 A HA 0.335 4.655 4.320 0.000 0.000 0.304 592 A C 1.517 178.877 177.584 -0.374 0.000 1.100 592 A CA -0.584 51.151 52.037 -0.504 0.000 0.839 592 A CB -0.179 18.297 19.000 -0.873 0.000 1.121 592 A HN 0.548 nan 8.150 nan 0.000 0.496 593 I N 0.193 120.610 120.570 -0.255 0.000 2.163 593 I HA -0.249 3.921 4.170 0.000 0.000 0.243 593 I C 2.438 178.441 176.117 -0.190 0.000 1.085 593 I CA 2.037 63.233 61.300 -0.173 0.000 1.347 593 I CB -0.717 37.216 38.000 -0.113 0.000 1.044 593 I HN 0.748 nan 8.210 nan 0.000 0.408 594 T N 1.011 115.429 114.554 -0.226 0.000 2.622 594 T HA -0.205 4.145 4.350 0.000 0.000 0.266 594 T C 1.642 176.148 174.700 -0.323 0.000 1.047 594 T CA 1.887 63.868 62.100 -0.198 0.000 1.159 594 T CB -0.428 68.382 68.868 -0.097 0.000 0.863 594 T HN 0.585 nan 8.240 nan 0.000 0.422 595 E N 0.469 120.267 120.200 -0.670 0.000 2.409 595 E HA -0.073 4.277 4.350 0.000 0.000 0.198 595 E C 1.641 178.087 176.600 -0.257 0.000 1.024 595 E CA 1.000 56.920 56.400 -0.800 0.000 0.861 595 E CB -0.365 28.675 29.700 -1.100 0.000 0.788 595 E HN 0.367 nan 8.360 nan 0.000 0.521 596 T N 0.946 115.370 114.554 -0.217 0.000 3.021 596 T HA 0.159 4.509 4.350 0.000 0.000 0.245 596 T C 1.627 176.298 174.700 -0.049 0.000 1.028 596 T CA 0.401 62.427 62.100 -0.123 0.000 1.139 596 T CB 0.135 68.915 68.868 -0.146 0.000 0.884 596 T HN 0.109 nan 8.240 nan 0.000 0.457 597 L N 0.829 122.030 121.223 -0.037 0.000 2.693 597 L HA 0.270 4.610 4.340 0.000 0.000 0.235 597 L C 1.144 178.049 176.870 0.058 0.000 1.127 597 L CA -0.165 54.686 54.840 0.018 0.000 0.914 597 L CB 0.010 42.070 42.059 0.002 0.000 1.193 597 L HN 0.123 nan 8.230 nan 0.000 0.502 598 T N 3.059 117.650 114.554 0.062 0.000 2.849 598 T HA 0.023 4.373 4.350 0.000 0.000 0.289 598 T C -0.096 174.654 174.700 0.084 0.000 1.010 598 T CA 0.241 62.391 62.100 0.083 0.000 1.161 598 T CB -0.190 68.772 68.868 0.156 0.000 0.989 598 T HN 0.538 nan 8.240 nan 0.000 0.523 599 N N 3.318 122.036 118.700 0.030 0.000 2.493 599 N HA 0.562 5.302 4.740 0.000 0.000 0.279 599 N C -0.379 175.086 175.510 -0.074 0.000 1.082 599 N CA -0.221 52.819 53.050 -0.017 0.000 0.963 599 N CB 1.373 39.893 38.487 0.055 0.000 1.627 599 N HN 1.024 nan 8.380 nan 0.000 0.499 600 G N 0.482 109.180 108.800 -0.169 0.000 2.334 600 G HA2 0.348 4.308 3.960 0.000 0.000 0.315 600 G HA3 0.348 4.308 3.960 0.000 0.000 0.315 600 G C -1.729 173.052 174.900 -0.199 0.000 1.284 600 G CA -0.199 44.806 45.100 -0.158 0.000 0.985 600 G HN 1.665 nan 8.290 nan 0.000 0.504 601 S N -1.762 113.830 115.700 -0.180 0.000 2.541 601 S HA 0.844 5.314 4.470 0.000 0.000 0.271 601 S C 0.472 174.948 174.600 -0.207 0.000 1.133 601 S CA 0.353 58.425 58.200 -0.214 0.000 0.876 601 S CB 1.682 64.753 63.200 -0.214 0.000 1.105 601 S HN 2.391 nan 8.310 nan 0.000 0.470 602 A N 0.712 123.401 122.820 -0.220 0.000 2.169 602 A HA 0.548 4.868 4.320 0.000 0.000 0.210 602 A C 0.487 178.101 177.584 0.051 0.000 1.168 602 A CA 1.028 53.015 52.037 -0.084 0.000 0.813 602 A CB -0.620 18.440 19.000 0.101 0.000 0.861 602 A HN 1.240 nan 8.150 nan 0.000 0.481 603 H N -3.300 115.770 119.070 0.000 0.000 2.883 603 H HA 0.611 5.167 4.556 0.000 0.000 0.277 603 H C -0.114 175.223 175.328 0.014 0.000 1.451 603 H CA -0.402 55.665 56.048 0.032 0.000 1.157 603 H CB 0.100 29.912 29.762 0.082 0.000 1.851 603 H HN 0.049 nan 8.280 nan 0.000 0.566 604 S N -0.066 115.753 115.700 0.198 0.000 2.624 604 S HA 0.302 4.772 4.470 0.000 0.000 0.263 604 S C 0.649 175.323 174.600 0.123 0.000 1.287 604 S CA 0.032 58.297 58.200 0.108 0.000 0.990 604 S CB 0.574 63.835 63.200 0.102 0.000 0.950 604 S HN 1.961 nan 8.310 nan 0.000 0.561 605 S N -1.892 113.847 115.700 0.066 0.000 3.445 605 S HA -0.185 4.285 4.470 0.000 0.000 0.319 605 S C 0.013 174.628 174.600 0.025 0.000 1.209 605 S CA 0.669 58.903 58.200 0.057 0.000 0.934 605 S CB -2.470 60.777 63.200 0.078 0.000 0.999 605 S HN 1.979 nan 8.310 nan 0.000 0.582 606 S N -0.785 114.889 115.700 -0.042 0.000 2.548 606 S HA 0.659 5.129 4.470 0.000 0.000 0.278 606 S C -0.956 173.539 174.600 -0.174 0.000 1.150 606 S CA 0.302 58.431 58.200 -0.118 0.000 0.907 606 S CB 1.946 65.036 63.200 -0.184 0.000 1.108 606 S HN 0.798 nan 8.310 nan 0.000 0.459 607 T N 4.195 118.658 114.554 -0.152 0.000 3.172 607 T HA 0.379 4.729 4.350 0.000 0.000 0.320 607 T C -1.333 173.157 174.700 -0.349 0.000 1.085 607 T CA -0.672 61.272 62.100 -0.261 0.000 1.052 607 T CB 1.644 70.360 68.868 -0.253 0.000 1.107 607 T HN 0.655 nan 8.240 nan 0.000 0.458 608 Q N 2.003 121.582 119.800 -0.368 0.000 2.259 608 Q HA 0.526 4.866 4.340 0.000 0.000 0.249 608 Q C -1.187 174.586 176.000 -0.379 0.000 0.914 608 Q CA -0.495 55.151 55.803 -0.261 0.000 0.904 608 Q CB 1.372 30.038 28.738 -0.119 0.000 1.213 608 Q HN 0.600 nan 8.270 nan 0.000 0.428 609 Y N 0.910 121.266 120.300 0.094 0.000 2.570 609 Y HA 0.410 4.960 4.550 0.000 0.000 0.345 609 Y C -2.161 173.909 175.900 0.284 0.000 1.014 609 Y CA -2.536 55.712 58.100 0.247 0.000 1.063 609 Y CB 1.448 40.190 38.460 0.470 0.000 1.272 609 Y HN 0.537 nan 8.280 nan 0.000 0.477 610 P HA 0.199 nan 4.420 nan 0.000 0.276 610 P C -0.892 176.660 177.300 0.420 0.000 1.261 610 P CA -0.427 62.877 63.100 0.340 0.000 0.800 610 P CB 0.672 32.528 31.700 0.259 0.000 1.066 611 N N 0.317 119.148 118.700 0.217 0.000 2.710 611 N HA 0.245 4.985 4.740 0.000 0.000 0.244 611 N C -2.494 172.960 175.510 -0.094 0.000 1.321 611 N CA -1.884 51.283 53.050 0.196 0.000 0.758 611 N CB 0.471 39.148 38.487 0.316 0.000 1.284 611 N HN 0.031 nan 8.380 nan 0.000 0.530 612 P HA 0.196 nan 4.420 nan 0.000 0.247 612 P C -0.297 176.402 177.300 -1.001 0.000 1.225 612 P CA 0.605 63.213 63.100 -0.820 0.000 0.768 612 P CB -0.221 30.647 31.700 -1.388 0.000 1.020 613 F N -1.671 118.175 119.950 -0.173 0.000 2.814 613 F HA 0.264 4.791 4.527 0.000 0.000 0.326 613 F C 0.591 176.371 175.800 -0.033 0.000 1.159 613 F CA -0.676 57.257 58.000 -0.113 0.000 1.234 613 F CB -0.143 38.764 39.000 -0.155 0.000 1.016 613 F HN -0.275 nan 8.300 nan 0.000 0.510 614 L N 2.773 124.038 121.223 0.070 0.000 2.455 614 L HA 0.124 4.465 4.340 0.000 0.000 0.272 614 L C 0.533 177.430 176.870 0.045 0.000 1.174 614 L CA -0.043 54.830 54.840 0.054 0.000 0.869 614 L CB 0.621 42.671 42.059 -0.015 0.000 1.130 614 L HN 0.347 nan 8.230 nan 0.000 0.474 615 Q N 4.225 124.062 119.800 0.061 0.000 2.243 615 Q HA 0.454 4.794 4.340 0.000 0.000 0.252 615 Q C -2.545 173.468 176.000 0.022 0.000 0.909 615 Q CA -2.320 53.525 55.803 0.071 0.000 0.922 615 Q CB 0.700 29.495 28.738 0.095 0.000 1.215 615 Q HN 0.300 nan 8.270 nan 0.000 0.427 616 P HA -0.112 nan 4.420 nan 0.000 0.266 616 P C -0.880 176.407 177.300 -0.021 0.000 1.195 616 P CA 0.222 63.250 63.100 -0.120 0.000 0.768 616 P CB 0.405 32.084 31.700 -0.036 0.000 0.838 617 E N 2.939 123.070 120.200 -0.115 0.000 2.283 617 E HA 0.378 4.728 4.350 0.000 0.000 0.278 617 E C -0.256 176.392 176.600 0.081 0.000 1.027 617 E CA -0.870 55.537 56.400 0.012 0.000 0.843 617 E CB 1.176 30.876 29.700 -0.001 0.000 1.062 617 E HN 0.227 nan 8.360 nan 0.000 0.401 618 R N 1.785 122.388 120.500 0.172 0.000 2.562 618 R HA 0.295 4.635 4.340 0.000 0.000 0.298 618 R C -0.946 175.452 176.300 0.163 0.000 0.961 618 R CA -0.477 55.754 56.100 0.218 0.000 0.881 618 R CB 2.057 32.495 30.300 0.231 0.000 1.159 618 R HN 0.853 nan 8.270 nan 0.000 0.450 619 S N 3.180 118.962 115.700 0.137 0.000 2.568 619 S HA 0.652 5.122 4.470 0.000 0.000 0.302 619 S C -0.486 174.143 174.600 0.049 0.000 1.082 619 S CA -0.906 57.357 58.200 0.105 0.000 1.009 619 S CB 2.683 65.936 63.200 0.087 0.000 1.069 619 S HN 0.524 nan 8.310 nan 0.000 0.500 620 R N 0.911 121.440 120.500 0.048 0.000 2.538 620 R HA 0.670 5.011 4.340 0.000 0.000 0.292 620 R C -1.856 174.439 176.300 -0.008 0.000 1.008 620 R CA -0.444 55.647 56.100 -0.016 0.000 0.896 620 R CB 1.630 31.998 30.300 0.113 0.000 1.187 620 R HN 1.001 nan 8.270 nan 0.000 0.440 621 A N 4.601 127.308 122.820 -0.189 0.000 2.357 621 A HA 0.582 4.902 4.320 0.000 0.000 0.295 621 A C -1.768 175.752 177.584 -0.106 0.000 1.121 621 A CA -0.616 51.382 52.037 -0.066 0.000 0.742 621 A CB 0.646 19.607 19.000 -0.065 0.000 1.181 621 A HN 0.686 nan 8.150 nan 0.000 0.454 622 W N 0.826 122.212 121.300 0.144 0.000 2.512 622 W HA 0.668 5.328 4.660 0.000 0.000 0.335 622 W C 0.466 177.072 176.519 0.145 0.000 1.088 622 W CA 0.041 57.508 57.345 0.203 0.000 1.236 622 W CB 1.475 31.070 29.460 0.224 0.000 1.307 622 W HN 0.761 nan 8.180 nan 0.000 0.567 623 E N 1.418 121.891 120.200 0.455 0.000 2.352 623 E HA 0.521 4.871 4.350 0.000 0.000 0.280 623 E C -2.180 174.589 176.600 0.281 0.000 0.930 623 E CA -0.797 55.795 56.400 0.318 0.000 0.765 623 E CB 2.457 32.315 29.700 0.263 0.000 1.219 623 E HN 0.282 nan 8.360 nan 0.000 0.434 624 V N 3.119 123.133 119.914 0.168 0.000 2.733 624 V HA 0.964 5.084 4.120 0.000 0.000 0.306 624 V C -0.721 175.262 176.094 -0.186 0.000 1.084 624 V CA 0.598 62.887 62.300 -0.018 0.000 0.905 624 V CB 1.329 33.208 31.823 0.093 0.000 1.010 624 V HN 0.817 nan 8.190 nan 0.000 0.424 625 G N 4.789 113.205 108.800 -0.640 0.000 2.561 625 G HA2 0.788 4.748 3.960 0.000 0.000 0.310 625 G HA3 0.788 4.748 3.960 0.000 0.000 0.310 625 G C -1.536 173.124 174.900 -0.399 0.000 1.292 625 G CA -0.057 44.752 45.100 -0.484 0.000 0.811 625 G HN 1.717 nan 8.290 nan 0.000 0.482 626 F N -0.775 119.149 119.950 -0.042 0.000 2.668 626 F HA 0.740 5.267 4.527 0.000 0.000 0.309 626 F C -0.931 175.026 175.800 0.261 0.000 1.117 626 F CA -1.415 56.693 58.000 0.179 0.000 0.951 626 F CB 1.534 40.598 39.000 0.108 0.000 1.323 626 F HN 0.683 nan 8.300 nan 0.000 0.451 627 N N 0.771 119.723 118.700 0.420 0.000 2.229 627 N HA 0.700 5.441 4.740 0.000 0.000 0.298 627 N C -2.146 173.504 175.510 0.232 0.000 1.114 627 N CA -0.972 52.239 53.050 0.269 0.000 0.776 627 N CB 3.004 41.626 38.487 0.226 0.000 1.501 627 N HN 0.506 nan 8.380 nan 0.000 0.474 628 V N 0.994 120.972 119.914 0.106 0.000 2.495 628 V HA 0.299 4.419 4.120 0.000 0.000 0.298 628 V C -0.488 175.490 176.094 -0.194 0.000 1.031 628 V CA -0.544 61.686 62.300 -0.116 0.000 0.871 628 V CB 1.353 33.031 31.823 -0.241 0.000 0.988 628 V HN 0.718 nan 8.190 nan 0.000 0.432 629 Q N 3.566 123.236 119.800 -0.216 0.000 2.932 629 Q HA 0.370 4.710 4.340 0.000 0.000 0.248 629 Q C -0.968 174.920 176.000 -0.187 0.000 0.982 629 Q CA -0.442 55.257 55.803 -0.172 0.000 0.730 629 Q CB 1.903 30.602 28.738 -0.064 0.000 1.249 629 Q HN 0.666 nan 8.270 nan 0.000 0.476 630 Q N 2.558 122.203 119.800 -0.258 0.000 2.462 630 Q HA 0.360 4.700 4.340 0.000 0.000 0.247 630 Q C -2.689 173.286 176.000 -0.042 0.000 1.044 630 Q CA -2.051 53.646 55.803 -0.176 0.000 0.803 630 Q CB 1.166 29.667 28.738 -0.396 0.000 1.190 630 Q HN 0.165 nan 8.270 nan 0.000 0.507 631 P HA 0.170 nan 4.420 nan 0.000 0.274 631 P C -1.013 176.332 177.300 0.076 0.000 1.231 631 P CA 0.003 63.126 63.100 0.039 0.000 0.790 631 P CB 0.542 32.260 31.700 0.029 0.000 0.951 632 D N -0.219 120.243 120.400 0.103 0.000 2.956 632 D HA -0.154 4.486 4.640 0.000 0.000 0.240 632 D C 0.377 176.743 176.300 0.110 0.000 1.141 632 D CA 0.485 54.556 54.000 0.117 0.000 0.820 632 D CB -0.966 39.883 40.800 0.082 0.000 0.988 632 D HN 0.196 nan 8.370 nan 0.000 0.417 633 L N -0.889 120.432 121.223 0.162 0.000 2.228 633 L HA 0.208 4.548 4.340 0.000 0.000 0.196 633 L C 1.878 178.686 176.870 -0.104 0.000 1.162 633 L CA 1.317 56.187 54.840 0.049 0.000 0.801 633 L CB -0.341 41.793 42.059 0.125 0.000 0.983 633 L HN 0.333 nan 8.230 nan 0.000 0.471 634 W N -1.447 119.877 121.300 0.040 0.000 2.560 634 W HA 0.178 4.838 4.660 0.000 0.000 0.303 634 W C 0.422 176.718 176.519 -0.372 0.000 1.151 634 W CA 0.120 57.324 57.345 -0.236 0.000 1.426 634 W CB -0.316 28.942 29.460 -0.336 0.000 1.135 634 W HN -0.141 nan 8.180 nan 0.000 0.522 635 F N 0.867 121.065 119.950 0.413 0.000 2.470 635 F HA 0.248 4.776 4.527 0.000 0.000 0.329 635 F C 0.457 176.364 175.800 0.179 0.000 1.072 635 F CA -1.578 56.574 58.000 0.252 0.000 0.989 635 F CB 0.621 39.759 39.000 0.231 0.000 1.193 635 F HN -0.304 nan 8.300 nan 0.000 0.481 636 E N 0.772 121.156 120.200 0.307 0.000 2.366 636 E HA 0.365 4.715 4.350 0.000 0.000 0.266 636 E C 0.874 177.571 176.600 0.161 0.000 1.015 636 E CA 0.935 57.446 56.400 0.185 0.000 0.906 636 E CB 0.203 29.984 29.700 0.135 0.000 0.979 636 E HN 0.876 nan 8.360 nan 0.000 0.443 637 G N 4.186 113.060 108.800 0.123 0.000 2.238 637 G HA2 -0.261 3.700 3.960 0.000 0.000 0.217 637 G HA3 -0.261 3.700 3.960 0.000 0.000 0.217 637 G C 0.098 175.041 174.900 0.071 0.000 0.996 637 G CA 0.145 45.294 45.100 0.081 0.000 0.632 637 G HN 0.767 nan 8.290 nan 0.000 0.503 638 D N 0.368 120.841 120.400 0.121 0.000 2.356 638 D HA 0.624 5.264 4.640 0.000 0.000 0.258 638 D C 0.566 176.902 176.300 0.061 0.000 1.279 638 D CA 0.305 54.349 54.000 0.073 0.000 1.016 638 D CB 0.373 41.275 40.800 0.170 0.000 1.107 638 D HN 1.001 nan 8.370 nan 0.000 0.544 639 R N -1.391 119.117 120.500 0.013 0.000 2.561 639 R HA 0.506 4.846 4.340 0.000 0.000 0.266 639 R C -1.702 174.656 176.300 0.096 0.000 1.091 639 R CA -0.917 55.203 56.100 0.034 0.000 0.927 639 R CB 0.641 30.918 30.300 -0.039 0.000 1.240 639 R HN 0.452 nan 8.270 nan 0.000 0.449 640 L N 3.659 124.957 121.223 0.126 0.000 2.317 640 L HA 0.831 5.171 4.340 0.000 0.000 0.281 640 L C -1.229 175.572 176.870 -0.115 0.000 1.024 640 L CA -0.949 53.971 54.840 0.133 0.000 0.810 640 L CB 1.878 44.017 42.059 0.133 0.000 1.240 640 L HN 0.687 nan 8.230 nan 0.000 0.427 641 V N 4.343 124.139 119.914 -0.197 0.000 2.851 641 V HA 0.909 5.029 4.120 0.000 0.000 0.307 641 V C -0.754 175.080 176.094 -0.432 0.000 1.129 641 V CA -0.069 61.948 62.300 -0.472 0.000 0.932 641 V CB 1.950 33.261 31.823 -0.852 0.000 1.024 641 V HN 1.114 nan 8.190 nan 0.000 0.426 642 A N 5.174 127.823 122.820 -0.285 0.000 2.602 642 A HA 0.977 5.297 4.320 0.000 0.000 0.290 642 A C -1.119 176.592 177.584 0.211 0.000 1.114 642 A CA -0.735 51.313 52.037 0.018 0.000 0.683 642 A CB 2.268 21.301 19.000 0.055 0.000 1.281 642 A HN 0.771 nan 8.150 nan 0.000 0.416 643 K N 0.765 121.250 120.400 0.141 0.000 2.610 643 K HA 0.515 4.835 4.320 0.000 0.000 0.274 643 K C -2.091 174.418 176.600 -0.152 0.000 1.049 643 K CA -0.273 56.021 56.287 0.012 0.000 0.945 643 K CB 1.633 34.169 32.500 0.062 0.000 1.313 643 K HN 0.607 nan 8.250 nan 0.000 0.463 644 V N 1.902 121.536 119.914 -0.468 0.000 2.715 644 V HA 0.938 5.058 4.120 0.000 0.000 0.310 644 V C -0.541 175.328 176.094 -0.374 0.000 1.054 644 V CA -0.730 61.282 62.300 -0.479 0.000 0.928 644 V CB 1.582 33.032 31.823 -0.622 0.000 1.007 644 V HN 0.877 nan 8.190 nan 0.000 0.437 645 A N 3.093 125.782 122.820 -0.218 0.000 2.547 645 A HA 0.733 5.054 4.320 0.000 0.000 0.297 645 A C -1.956 175.661 177.584 0.055 0.000 1.056 645 A CA -0.522 51.485 52.037 -0.051 0.000 0.688 645 A CB 1.461 20.504 19.000 0.072 0.000 1.282 645 A HN 0.994 nan 8.150 nan 0.000 0.400 646 Y N 2.678 122.964 120.300 -0.024 0.000 2.334 646 Y HA 0.644 5.194 4.550 0.000 0.000 0.336 646 Y C -0.897 175.043 175.900 0.066 0.000 0.960 646 Y CA -1.106 56.969 58.100 -0.042 0.000 1.164 646 Y CB 0.792 39.209 38.460 -0.072 0.000 1.155 646 Y HN 0.724 nan 8.280 nan 0.000 0.478 647 F N 3.207 122.851 119.950 -0.511 0.000 2.470 647 F HA 0.672 5.199 4.527 0.000 0.000 0.329 647 F C -1.046 174.434 175.800 -0.533 0.000 1.072 647 F CA -1.188 56.596 58.000 -0.360 0.000 0.989 647 F CB 1.526 40.426 39.000 -0.167 0.000 1.193 647 F HN 0.359 nan 8.300 nan 0.000 0.481 648 D N 1.538 121.896 120.400 -0.069 0.000 2.328 648 D HA 0.216 4.856 4.640 0.000 0.000 0.243 648 D C -1.446 174.966 176.300 0.187 0.000 1.324 648 D CA -0.125 53.861 54.000 -0.022 0.000 0.966 648 D CB 1.447 42.254 40.800 0.012 0.000 1.324 648 D HN 0.644 nan 8.370 nan 0.000 0.549 649 T N 3.010 117.703 114.554 0.231 0.000 2.749 649 T HA 0.348 4.698 4.350 0.000 0.000 0.287 649 T C -0.009 174.827 174.700 0.227 0.000 0.970 649 T CA -0.517 61.720 62.100 0.227 0.000 0.980 649 T CB 1.356 70.361 68.868 0.228 0.000 0.924 649 T HN 0.162 nan 8.240 nan 0.000 0.456 650 K N 3.272 123.781 120.400 0.182 0.000 2.307 650 K HA 0.625 4.945 4.320 0.000 0.000 0.263 650 K C -1.358 175.336 176.600 0.157 0.000 0.973 650 K CA -0.615 55.759 56.287 0.145 0.000 0.846 650 K CB 0.841 33.423 32.500 0.137 0.000 1.100 650 K HN 0.353 nan 8.250 nan 0.000 0.438 651 V N 3.817 123.826 119.914 0.159 0.000 2.588 651 V HA 0.294 4.414 4.120 0.000 0.000 0.304 651 V C -1.052 175.147 176.094 0.175 0.000 1.042 651 V CA -1.005 61.418 62.300 0.206 0.000 0.877 651 V CB 1.774 33.806 31.823 0.348 0.000 0.996 651 V HN 0.942 nan 8.190 nan 0.000 0.425 652 D N 2.668 123.170 120.400 0.170 0.000 2.252 652 D HA 0.483 5.123 4.640 0.000 0.000 0.245 652 D C 0.049 176.446 176.300 0.162 0.000 1.009 652 D CA -0.891 53.195 54.000 0.144 0.000 0.870 652 D CB 1.043 41.907 40.800 0.107 0.000 1.251 652 D HN 0.369 nan 8.370 nan 0.000 0.460 653 N N -0.851 117.938 118.700 0.148 0.000 2.882 653 N HA -0.230 4.510 4.740 0.000 0.000 0.249 653 N C -1.035 174.577 175.510 0.169 0.000 1.079 653 N CA 0.167 53.296 53.050 0.131 0.000 0.800 653 N CB -2.373 36.172 38.487 0.097 0.000 1.124 653 N HN 0.622 nan 8.380 nan 0.000 0.557 654 Y N 2.630 122.991 120.300 0.102 0.000 2.828 654 Y HA -0.006 4.544 4.550 0.000 0.000 0.359 654 Y C 1.477 177.475 175.900 0.164 0.000 1.258 654 Y CA -0.396 57.783 58.100 0.132 0.000 1.652 654 Y CB 0.125 38.686 38.460 0.168 0.000 1.232 654 Y HN 0.167 nan 8.280 nan 0.000 0.513 655 I N 4.565 125.110 120.570 -0.041 0.000 2.648 655 I HA 0.187 4.358 4.170 0.000 0.000 0.284 655 I C -1.051 175.127 176.117 0.101 0.000 1.153 655 I CA 0.060 61.392 61.300 0.053 0.000 1.426 655 I CB 0.665 38.646 38.000 -0.031 0.000 1.381 655 I HN 0.582 nan 8.210 nan 0.000 0.571 656 N N 6.209 125.036 118.700 0.211 0.000 2.287 656 N HA 0.352 5.092 4.740 0.000 0.000 0.289 656 N C -0.956 174.526 175.510 -0.047 0.000 1.066 656 N CA -0.614 52.474 53.050 0.064 0.000 0.841 656 N CB 2.692 41.052 38.487 -0.211 0.000 1.599 656 N HN 0.744 nan 8.380 nan 0.000 0.476 657 L N 1.986 123.076 121.223 -0.221 0.000 2.600 657 L HA 0.287 4.628 4.340 0.000 0.000 0.278 657 L C -0.027 176.666 176.870 -0.295 0.000 1.139 657 L CA -0.064 54.422 54.840 -0.591 0.000 0.933 657 L CB -0.308 41.323 42.059 -0.713 0.000 1.266 657 L HN 0.577 nan 8.230 nan 0.000 0.471 658 A N 6.677 129.345 122.820 -0.253 0.000 2.312 658 A HA 0.641 4.961 4.320 0.000 0.000 0.326 658 A C -0.151 177.310 177.584 -0.205 0.000 1.172 658 A CA -0.759 51.189 52.037 -0.149 0.000 0.821 658 A CB 0.983 20.030 19.000 0.078 0.000 1.166 658 A HN 0.788 nan 8.150 nan 0.000 0.493 659 I N -1.582 118.881 120.570 -0.177 0.000 3.660 659 I HA 0.685 4.855 4.170 0.000 0.000 0.285 659 I C 0.441 176.482 176.117 -0.126 0.000 1.266 659 I CA -0.330 60.834 61.300 -0.227 0.000 0.987 659 I CB 0.789 38.586 38.000 -0.338 0.000 1.417 659 I HN 0.647 nan 8.210 nan 0.000 0.590 660 D N 0.587 120.924 120.400 -0.105 0.000 2.882 660 D HA -0.164 4.476 4.640 0.000 0.000 0.229 660 D C -0.347 175.949 176.300 -0.006 0.000 1.167 660 D CA 0.696 54.673 54.000 -0.038 0.000 0.759 660 D CB -0.373 40.418 40.800 -0.016 0.000 1.088 660 D HN 0.506 nan 8.370 nan 0.000 0.425 661 R N 0.556 121.024 120.500 -0.054 0.000 2.500 661 R HA 0.501 4.841 4.340 0.000 0.000 0.275 661 R C 0.459 176.823 176.300 0.107 0.000 1.051 661 R CA -0.449 55.630 56.100 -0.035 0.000 1.088 661 R CB 0.554 30.629 30.300 -0.375 0.000 1.063 661 R HN 0.377 nan 8.270 nan 0.000 0.511 662 N N 0.659 119.517 118.700 0.264 0.000 2.354 662 N HA 0.185 4.925 4.740 0.000 0.000 0.287 662 N C -0.786 174.926 175.510 0.337 0.000 1.016 662 N CA -0.891 52.306 53.050 0.245 0.000 0.871 662 N CB 1.372 39.931 38.487 0.120 0.000 1.299 662 N HN 0.322 nan 8.380 nan 0.000 0.482 663 K N 0.905 121.405 120.400 0.167 0.000 2.180 663 K HA 0.422 4.742 4.320 0.000 0.000 0.251 663 K C -2.376 174.066 176.600 -0.264 0.000 1.014 663 K CA -1.380 54.790 56.287 -0.195 0.000 0.913 663 K CB -0.282 32.051 32.500 -0.279 0.000 1.008 663 K HN 0.254 nan 8.250 nan 0.000 0.490 664 P HA -0.008 nan 4.420 nan 0.000 0.272 664 P C 0.278 177.307 177.300 -0.452 0.000 1.243 664 P CA 0.748 63.503 63.100 -0.575 0.000 0.803 664 P CB 0.128 31.240 31.700 -0.980 0.000 0.974 665 G N -1.635 106.960 108.800 -0.342 0.000 2.627 665 G HA2 -0.163 3.797 3.960 0.000 0.000 0.214 665 G HA3 -0.163 3.797 3.960 0.000 0.000 0.214 665 G C -0.719 174.146 174.900 -0.057 0.000 1.331 665 G CA -0.664 44.413 45.100 -0.038 0.000 0.891 665 G HN 0.559 nan 8.290 nan 0.000 0.539 666 L N -0.353 120.849 121.223 -0.035 0.000 2.483 666 L HA 0.287 4.627 4.340 0.000 0.000 0.277 666 L C 1.432 178.269 176.870 -0.055 0.000 1.248 666 L CA -0.584 54.190 54.840 -0.109 0.000 0.825 666 L CB 0.030 42.026 42.059 -0.105 0.000 1.096 666 L HN 0.470 nan 8.230 nan 0.000 0.512 667 V N 1.528 121.411 119.914 -0.052 0.000 2.485 667 V HA 0.033 4.153 4.120 0.000 0.000 0.287 667 V C 0.287 176.389 176.094 0.015 0.000 1.022 667 V CA 0.326 62.618 62.300 -0.014 0.000 1.067 667 V CB 0.526 32.348 31.823 -0.001 0.000 0.967 667 V HN 0.749 nan 8.190 nan 0.000 0.479 668 Q N 5.605 125.416 119.800 0.018 0.000 3.550 668 Q HA 0.324 4.664 4.340 0.000 0.000 0.206 668 Q C -2.673 173.348 176.000 0.036 0.000 0.891 668 Q CA -1.302 54.520 55.803 0.032 0.000 0.737 668 Q CB 1.731 30.494 28.738 0.041 0.000 1.417 668 Q HN 0.608 nan 8.270 nan 0.000 0.460 669 P HA 0.135 nan 4.420 nan 0.000 0.268 669 P C -1.128 176.195 177.300 0.039 0.000 1.205 669 P CA 0.044 63.162 63.100 0.031 0.000 0.771 669 P CB 1.135 32.847 31.700 0.020 0.000 0.858 670 S N 2.330 118.055 115.700 0.041 0.000 2.550 670 S HA 0.195 4.665 4.470 0.000 0.000 0.274 670 S C 0.812 175.427 174.600 0.025 0.000 1.110 670 S CA -0.602 57.623 58.200 0.042 0.000 1.013 670 S CB 0.047 63.287 63.200 0.067 0.000 1.152 670 S HN 0.172 nan 8.310 nan 0.000 0.450 671 I N 3.806 124.379 120.570 0.005 0.000 2.361 671 I HA -0.024 4.146 4.170 0.000 0.000 0.251 671 I C 2.466 178.549 176.117 -0.057 0.000 1.133 671 I CA 1.912 63.197 61.300 -0.026 0.000 1.413 671 I CB -1.652 36.331 38.000 -0.029 0.000 1.073 671 I HN 0.795 nan 8.210 nan 0.000 0.424 672 G N 1.222 110.004 108.800 -0.031 0.000 2.509 672 G HA2 -0.171 3.789 3.960 0.000 0.000 0.218 672 G HA3 -0.171 3.789 3.960 0.000 0.000 0.218 672 G C 0.714 175.584 174.900 -0.049 0.000 1.124 672 G CA 0.009 45.077 45.100 -0.054 0.000 0.776 672 G HN 0.347 nan 8.290 nan 0.000 0.547 673 N N 1.559 120.271 118.700 0.020 0.000 2.400 673 N HA 0.455 5.195 4.740 0.000 0.000 0.267 673 N C -0.028 175.454 175.510 -0.047 0.000 1.208 673 N CA 0.146 53.263 53.050 0.112 0.000 0.951 673 N CB 1.067 39.659 38.487 0.175 0.000 1.227 673 N HN 0.280 nan 8.380 nan 0.000 0.488 674 A N 1.233 123.997 122.820 -0.092 0.000 2.340 674 A HA 0.940 5.260 4.320 0.000 0.000 0.331 674 A C -0.517 176.919 177.584 -0.247 0.000 1.140 674 A CA -0.588 51.305 52.037 -0.239 0.000 0.801 674 A CB 1.234 20.052 19.000 -0.303 0.000 1.234 674 A HN 0.611 nan 8.150 nan 0.000 0.469 675 A N 0.482 123.068 122.820 -0.391 0.000 2.582 675 A HA 0.572 4.892 4.320 0.000 0.000 0.297 675 A C -1.601 175.767 177.584 -0.359 0.000 1.059 675 A CA -0.647 51.169 52.037 -0.369 0.000 0.705 675 A CB 0.218 18.826 19.000 -0.654 0.000 1.279 675 A HN 0.792 nan 8.150 nan 0.000 0.404 676 Y N 0.796 121.024 120.300 -0.121 0.000 2.442 676 Y HA 0.416 4.966 4.550 0.000 0.000 0.330 676 Y C 0.940 176.812 175.900 -0.046 0.000 1.129 676 Y CA 0.684 58.747 58.100 -0.062 0.000 1.365 676 Y CB 1.072 39.503 38.460 -0.048 0.000 1.233 676 Y HN 0.839 nan 8.280 nan 0.000 0.529 677 V N -0.125 119.882 119.914 0.154 0.000 3.049 677 V HA 0.534 4.654 4.120 0.000 0.000 0.309 677 V C -0.864 175.346 176.094 0.193 0.000 1.148 677 V CA -1.641 60.753 62.300 0.156 0.000 0.990 677 V CB 1.983 33.876 31.823 0.117 0.000 1.039 677 V HN 0.722 nan 8.190 nan 0.000 0.430 678 N N 2.694 121.476 118.700 0.137 0.000 2.497 678 N HA 0.244 4.984 4.740 0.000 0.000 0.271 678 N C -0.319 175.233 175.510 0.070 0.000 1.142 678 N CA -0.238 52.880 53.050 0.113 0.000 0.965 678 N CB 0.368 38.904 38.487 0.081 0.000 1.077 678 N HN 0.828 nan 8.380 nan 0.000 0.462 679 N N 2.403 121.170 118.700 0.111 0.000 2.475 679 N HA 0.056 4.796 4.740 0.000 0.000 0.267 679 N C 0.612 176.089 175.510 -0.055 0.000 1.169 679 N CA 0.078 53.106 53.050 -0.036 0.000 0.947 679 N CB 0.617 39.193 38.487 0.148 0.000 1.061 679 N HN 0.496 nan 8.380 nan 0.000 0.466 680 L N 0.916 122.051 121.223 -0.148 0.000 2.217 680 L HA 0.015 4.355 4.340 0.000 0.000 0.211 680 L C 0.947 177.780 176.870 -0.062 0.000 1.107 680 L CA 0.528 55.314 54.840 -0.090 0.000 0.783 680 L CB -0.307 41.680 42.059 -0.120 0.000 0.919 680 L HN 0.368 nan 8.230 nan 0.000 0.442 681 S N -0.563 115.089 115.700 -0.079 0.000 2.669 681 S HA 0.269 4.739 4.470 0.000 0.000 0.270 681 S C 0.078 174.673 174.600 -0.009 0.000 1.225 681 S CA -0.609 57.564 58.200 -0.045 0.000 0.991 681 S CB 1.072 64.237 63.200 -0.059 0.000 0.987 681 S HN 0.081 nan 8.310 nan 0.000 0.552 682 K N 1.721 122.115 120.400 -0.010 0.000 2.227 682 K HA 0.316 4.636 4.320 0.000 0.000 0.280 682 K C -0.678 175.886 176.600 -0.060 0.000 1.041 682 K CA -0.204 56.081 56.287 -0.002 0.000 0.905 682 K CB 0.983 33.489 32.500 0.010 0.000 1.068 682 K HN 0.437 nan 8.250 nan 0.000 0.470 683 T N 4.380 118.882 114.554 -0.088 0.000 2.744 683 T HA 0.242 4.592 4.350 0.000 0.000 0.291 683 T C -0.103 174.363 174.700 -0.389 0.000 0.957 683 T CA -0.694 61.224 62.100 -0.302 0.000 1.002 683 T CB 0.367 68.970 68.868 -0.442 0.000 0.919 683 T HN 0.576 nan 8.240 nan 0.000 0.468 684 R N 2.017 122.203 120.500 -0.524 0.000 2.686 684 R HA 0.679 5.019 4.340 0.000 0.000 0.286 684 R C -1.750 174.175 176.300 -0.625 0.000 0.969 684 R CA -0.910 54.957 56.100 -0.389 0.000 0.898 684 R CB 1.280 31.500 30.300 -0.134 0.000 1.183 684 R HN 0.402 nan 8.270 nan 0.000 0.456 685 F N 2.566 122.506 119.950 -0.018 0.000 2.460 685 F HA 0.542 5.069 4.527 0.000 0.000 0.341 685 F C 0.084 175.942 175.800 0.096 0.000 1.130 685 F CA -0.816 57.204 58.000 0.033 0.000 0.962 685 F CB 1.796 40.823 39.000 0.044 0.000 1.171 685 F HN 0.541 nan 8.300 nan 0.000 0.436 686 R N 1.734 122.264 120.500 0.050 0.000 2.707 686 R HA 0.990 5.330 4.340 0.000 0.000 0.272 686 R C -0.830 175.004 176.300 -0.778 0.000 1.011 686 R CA -1.324 54.476 56.100 -0.500 0.000 0.893 686 R CB 2.312 32.402 30.300 -0.349 0.000 1.233 686 R HN 0.821 nan 8.270 nan 0.000 0.464 687 G N 0.835 108.701 108.800 -1.556 0.000 2.321 687 G HA2 0.361 4.321 3.960 0.000 0.000 0.296 687 G HA3 0.361 4.321 3.960 0.000 0.000 0.296 687 G C -1.999 172.572 174.900 -0.548 0.000 1.287 687 G CA -1.068 43.602 45.100 -0.718 0.000 0.846 687 G HN 0.381 nan 8.290 nan 0.000 0.508 688 L N 0.315 121.554 121.223 0.027 0.000 2.365 688 L HA 0.605 4.945 4.340 0.000 0.000 0.273 688 L C -0.477 176.402 176.870 0.015 0.000 1.000 688 L CA -0.687 54.164 54.840 0.019 0.000 0.819 688 L CB 2.310 44.361 42.059 -0.013 0.000 1.284 688 L HN 0.549 nan 8.230 nan 0.000 0.418 689 E N 2.736 122.855 120.200 -0.135 0.000 2.185 689 E HA 0.398 4.749 4.350 0.000 0.000 0.261 689 E C -1.758 174.678 176.600 -0.274 0.000 0.879 689 E CA -0.578 55.773 56.400 -0.082 0.000 0.756 689 E CB 1.788 31.497 29.700 0.014 0.000 1.152 689 E HN 0.319 nan 8.360 nan 0.000 0.416 690 Y N 1.841 122.225 120.300 0.140 0.000 2.352 690 Y HA 0.297 4.847 4.550 0.000 0.000 0.339 690 Y C 0.151 176.108 175.900 0.094 0.000 0.992 690 Y CA -0.881 57.282 58.100 0.104 0.000 1.100 690 Y CB 1.584 40.129 38.460 0.142 0.000 1.192 690 Y HN 0.343 nan 8.280 nan 0.000 0.458 691 Q N 3.723 123.646 119.800 0.204 0.000 2.281 691 Q HA 0.674 5.014 4.340 0.000 0.000 0.263 691 Q C -2.247 173.867 176.000 0.190 0.000 0.989 691 Q CA -0.915 54.990 55.803 0.170 0.000 0.852 691 Q CB 2.638 31.435 28.738 0.098 0.000 1.337 691 Q HN 0.851 nan 8.270 nan 0.000 0.418 692 L N 2.671 123.990 121.223 0.160 0.000 2.455 692 L HA 0.670 5.010 4.340 0.000 0.000 0.264 692 L C -2.049 174.871 176.870 0.084 0.000 0.968 692 L CA -0.515 54.390 54.840 0.109 0.000 0.827 692 L CB 2.408 44.534 42.059 0.112 0.000 1.317 692 L HN 0.810 nan 8.230 nan 0.000 0.407 693 N N 3.224 121.928 118.700 0.007 0.000 2.504 693 N HA 0.268 5.008 4.740 0.000 0.000 0.280 693 N C -2.100 173.437 175.510 0.045 0.000 1.052 693 N CA -0.236 52.826 53.050 0.020 0.000 0.887 693 N CB 1.216 39.688 38.487 -0.024 0.000 1.323 693 N HN 0.553 nan 8.380 nan 0.000 0.509 694 Y N 2.583 122.880 120.300 -0.004 0.000 2.334 694 Y HA 0.483 5.033 4.550 0.000 0.000 0.336 694 Y C -1.117 174.810 175.900 0.045 0.000 0.960 694 Y CA -0.871 57.247 58.100 0.030 0.000 1.164 694 Y CB 0.896 39.413 38.460 0.095 0.000 1.155 694 Y HN 0.389 nan 8.280 nan 0.000 0.478 695 D N 4.502 124.598 120.400 -0.506 0.000 2.391 695 D HA 0.564 5.205 4.640 0.000 0.000 0.245 695 D C -0.601 175.370 176.300 -0.548 0.000 1.069 695 D CA -0.259 53.487 54.000 -0.422 0.000 0.831 695 D CB 1.882 42.530 40.800 -0.253 0.000 1.204 695 D HN 0.671 nan 8.370 nan 0.000 0.503 696 A N 2.424 125.019 122.820 -0.375 0.000 2.606 696 A HA 0.611 4.931 4.320 0.000 0.000 0.290 696 A C 1.294 178.855 177.584 -0.039 0.000 1.174 696 A CA 0.593 52.532 52.037 -0.163 0.000 0.958 696 A CB -0.149 18.865 19.000 0.022 0.000 1.194 696 A HN 0.869 nan 8.150 nan 0.000 0.526 697 G N -0.477 108.293 108.800 -0.049 0.000 5.452 697 G HA2 -0.379 3.581 3.960 0.000 0.000 0.310 697 G HA3 -0.379 3.581 3.960 0.000 0.000 0.310 697 G C 1.275 176.203 174.900 0.047 0.000 1.392 697 G CA 0.761 45.852 45.100 -0.016 0.000 0.942 697 G HN 0.807 nan 8.290 nan 0.000 0.776 698 V N 0.627 120.569 119.914 0.047 0.000 2.759 698 V HA 0.388 4.508 4.120 0.000 0.000 0.256 698 V C 0.990 177.197 176.094 0.188 0.000 1.080 698 V CA 2.154 64.501 62.300 0.078 0.000 1.101 698 V CB -0.460 31.368 31.823 0.007 0.000 0.698 698 V HN 0.739 nan 8.190 nan 0.000 0.477 699 F N 1.048 121.011 119.950 0.021 0.000 2.574 699 F HA 0.642 5.169 4.527 0.000 0.000 0.313 699 F C -1.055 174.807 175.800 0.104 0.000 1.130 699 F CA -1.568 56.451 58.000 0.030 0.000 0.936 699 F CB 1.674 40.662 39.000 -0.021 0.000 1.219 699 F HN 0.112 nan 8.300 nan 0.000 0.445 700 Y N 3.148 122.907 120.300 -0.901 0.000 2.562 700 Y HA 0.930 5.480 4.550 0.000 0.000 0.345 700 Y C -1.684 173.777 175.900 -0.733 0.000 1.045 700 Y CA -1.385 56.287 58.100 -0.714 0.000 1.028 700 Y CB 1.387 39.640 38.460 -0.345 0.000 1.297 700 Y HN 0.841 nan 8.280 nan 0.000 0.463 701 A N 2.267 124.910 122.820 -0.295 0.000 2.422 701 A HA 0.604 4.924 4.320 0.000 0.000 0.302 701 A C -2.079 175.538 177.584 0.055 0.000 1.041 701 A CA -0.531 51.409 52.037 -0.161 0.000 0.708 701 A CB 1.661 20.623 19.000 -0.063 0.000 1.257 701 A HN 0.817 nan 8.150 nan 0.000 0.414 702 D N 0.980 121.420 120.400 0.067 0.000 2.481 702 D HA 0.658 5.298 4.640 0.000 0.000 0.244 702 D C -1.333 175.027 176.300 0.101 0.000 1.057 702 D CA -0.121 53.937 54.000 0.097 0.000 0.848 702 D CB 1.465 42.325 40.800 0.101 0.000 1.388 702 D HN 0.480 nan 8.370 nan 0.000 0.475 703 L N 2.920 124.212 121.223 0.115 0.000 2.476 703 L HA 0.604 4.944 4.340 0.000 0.000 0.269 703 L C -1.156 175.808 176.870 0.157 0.000 0.965 703 L CA -0.229 54.697 54.840 0.144 0.000 0.845 703 L CB 1.830 43.970 42.059 0.136 0.000 1.259 703 L HN 0.635 nan 8.230 nan 0.000 0.403 704 T N 0.782 115.437 114.554 0.168 0.000 2.900 704 T HA 0.649 4.999 4.350 0.000 0.000 0.295 704 T C -1.283 173.552 174.700 0.225 0.000 1.044 704 T CA -0.641 61.550 62.100 0.152 0.000 0.995 704 T CB 1.903 70.793 68.868 0.038 0.000 1.072 704 T HN 0.534 nan 8.240 nan 0.000 0.473 705 Y N 0.738 121.105 120.300 0.112 0.000 2.521 705 Y HA 0.550 5.100 4.550 0.000 0.000 0.332 705 Y C -1.030 174.994 175.900 0.207 0.000 1.121 705 Y CA -0.511 57.660 58.100 0.118 0.000 1.037 705 Y CB 2.260 40.835 38.460 0.192 0.000 1.330 705 Y HN 1.081 nan 8.280 nan 0.000 0.452 706 T N 3.346 117.722 114.554 -0.297 0.000 2.841 706 T HA 0.328 4.678 4.350 0.000 0.000 0.285 706 T C -2.095 172.589 174.700 -0.025 0.000 0.991 706 T CA -0.423 61.665 62.100 -0.019 0.000 0.966 706 T CB 0.485 69.331 68.868 -0.037 0.000 0.962 706 T HN 0.777 nan 8.240 nan 0.000 0.438 707 H N 6.070 125.258 119.070 0.197 0.000 2.638 707 H HA 0.534 5.091 4.556 0.000 0.000 0.303 707 H C -0.012 175.379 175.328 0.105 0.000 1.034 707 H CA -0.909 55.272 56.048 0.222 0.000 1.225 707 H CB 0.422 30.428 29.762 0.406 0.000 1.394 707 H HN 0.443 nan 8.280 nan 0.000 0.477 708 M N 5.354 124.804 119.600 -0.250 0.000 2.235 708 M HA 0.288 4.768 4.480 0.000 0.000 0.351 708 M C -0.443 175.660 176.300 -0.328 0.000 1.178 708 M CA -0.208 54.963 55.300 -0.215 0.000 1.143 708 M CB 0.764 33.218 32.600 -0.244 0.000 1.530 708 M HN 0.591 nan 8.290 nan 0.000 0.461 709 I N 0.878 121.340 120.570 -0.180 0.000 2.582 709 I HA 0.754 4.924 4.170 0.000 0.000 0.292 709 I C 0.287 176.346 176.117 -0.097 0.000 1.066 709 I CA -0.513 60.718 61.300 -0.114 0.000 1.053 709 I CB 2.237 40.238 38.000 0.000 0.000 1.241 709 I HN 0.831 nan 8.210 nan 0.000 0.421 710 G N 4.466 113.222 108.800 -0.073 0.000 2.629 710 G HA2 -0.067 3.893 3.960 0.000 0.000 0.686 710 G HA3 -0.067 3.893 3.960 0.000 0.000 0.686 710 G C -1.126 173.743 174.900 -0.053 0.000 1.232 710 G CA -0.970 44.095 45.100 -0.059 0.000 0.803 710 G HN 0.661 nan 8.290 nan 0.000 0.638 711 K N 1.231 121.617 120.400 -0.022 0.000 2.895 711 K HA 0.159 4.479 4.320 0.000 0.000 0.191 711 K C 0.580 177.168 176.600 -0.020 0.000 1.117 711 K CA -0.578 55.723 56.287 0.024 0.000 0.988 711 K CB 0.655 33.224 32.500 0.114 0.000 1.181 711 K HN 0.814 nan 8.250 nan 0.000 0.598 712 N N 1.461 120.109 118.700 -0.088 0.000 2.371 712 N HA 0.038 4.778 4.740 0.000 0.000 0.243 712 N C -0.470 175.001 175.510 -0.065 0.000 1.287 712 N CA -0.440 52.548 53.050 -0.103 0.000 0.911 712 N CB 0.863 39.232 38.487 -0.196 0.000 1.142 712 N HN 0.446 nan 8.380 nan 0.000 0.451 713 E N -0.409 119.770 120.200 -0.035 0.000 2.264 713 E HA 0.441 4.791 4.350 0.000 0.000 0.260 713 E C -1.616 175.033 176.600 0.081 0.000 0.961 713 E CA -0.984 55.424 56.400 0.013 0.000 0.834 713 E CB 1.496 31.199 29.700 0.006 0.000 1.230 713 E HN 0.560 nan 8.360 nan 0.000 0.412 714 F N 1.039 120.957 119.950 -0.053 0.000 2.477 714 F HA 0.490 5.017 4.527 0.000 0.000 0.335 714 F C -1.566 174.215 175.800 -0.032 0.000 1.130 714 F CA -0.875 57.104 58.000 -0.034 0.000 0.948 714 F CB 1.302 40.283 39.000 -0.031 0.000 1.154 714 F HN 0.564 nan 8.300 nan 0.000 0.439 715 c N 5.115 123.306 118.600 -0.681 0.000 2.346 715 c HA 0.736 5.306 4.570 0.000 0.000 0.326 715 c C -0.079 173.594 174.090 -0.695 0.000 1.224 715 c CA -0.559 55.439 56.329 -0.552 0.000 1.408 715 c CB 0.136 42.480 42.510 -0.277 0.000 2.089 715 c HN 0.930 nan 8.230 nan 0.000 0.456 716 S N 2.596 117.932 115.700 -0.605 0.000 2.798 716 S HA 0.493 4.963 4.470 0.000 0.000 0.312 716 S C 0.355 174.849 174.600 -0.175 0.000 1.122 716 S CA -0.512 57.465 58.200 -0.371 0.000 0.949 716 S CB 0.957 64.005 63.200 -0.254 0.000 1.235 716 S HN 0.571 nan 8.310 nan 0.000 0.552 717 N N 0.123 118.792 118.700 -0.051 0.000 2.325 717 N HA 0.102 4.843 4.740 0.000 0.000 0.182 717 N C 0.975 176.542 175.510 0.095 0.000 1.088 717 N CA 0.549 53.605 53.050 0.010 0.000 0.879 717 N CB -0.251 38.275 38.487 0.064 0.000 0.983 717 N HN 0.824 nan 8.380 nan 0.000 0.471 718 K N -0.468 119.999 120.400 0.113 0.000 6.035 718 K HA -0.290 4.030 4.320 0.000 0.000 0.451 718 K C 0.105 176.881 176.600 0.293 0.000 0.399 718 K CA 1.557 57.950 56.287 0.176 0.000 1.899 718 K CB -1.519 31.122 32.500 0.236 0.000 0.814 718 K HN 0.141 nan 8.250 nan 0.000 0.694 719 A N 1.305 124.298 122.820 0.288 0.000 3.181 719 A HA 0.329 4.649 4.320 0.000 0.000 0.293 719 A C -0.057 177.685 177.584 0.264 0.000 1.346 719 A CA -0.005 52.197 52.037 0.274 0.000 1.018 719 A CB -1.024 18.056 19.000 0.133 0.000 1.093 719 A HN 0.416 nan 8.150 nan 0.000 0.629 720 W N -0.525 120.777 121.300 0.003 0.000 2.226 720 W HA 0.242 4.902 4.660 0.000 0.000 0.352 720 W C 0.235 176.745 176.519 -0.015 0.000 1.277 720 W CA -0.166 57.181 57.345 0.003 0.000 1.305 720 W CB 0.125 29.605 29.460 0.034 0.000 1.193 720 W HN 0.284 nan 8.180 nan 0.000 0.596 721 L N 2.635 123.606 121.223 -0.420 0.000 5.198 721 L HA -0.223 4.117 4.340 0.000 0.000 0.414 721 L C 1.757 178.399 176.870 -0.380 0.000 0.922 721 L CA 2.374 56.890 54.840 -0.539 0.000 1.585 721 L CB -2.302 39.209 42.059 -0.913 0.000 1.671 721 L HN 1.649 nan 8.230 nan 0.000 0.621 722 G N -0.881 107.752 108.800 -0.279 0.000 2.614 722 G HA2 0.122 4.082 3.960 0.000 0.000 0.303 722 G HA3 0.122 4.082 3.960 0.000 0.000 0.303 722 G C 1.551 176.298 174.900 -0.256 0.000 1.270 722 G CA 1.271 46.252 45.100 -0.198 0.000 0.988 722 G HN 2.014 nan 8.290 nan 0.000 0.551 723 G N -1.711 106.962 108.800 -0.211 0.000 2.166 723 G HA2 -0.266 3.694 3.960 0.000 0.000 0.260 723 G HA3 -0.266 3.694 3.960 0.000 0.000 0.260 723 G C 0.600 175.354 174.900 -0.243 0.000 0.986 723 G CA 1.397 46.353 45.100 -0.241 0.000 0.683 723 G HN 1.022 nan 8.290 nan 0.000 0.527 724 R N -0.372 120.020 120.500 -0.181 0.000 2.570 724 R HA 0.422 4.762 4.340 0.000 0.000 0.277 724 R C 0.923 177.153 176.300 -0.117 0.000 1.039 724 R CA 0.177 56.191 56.100 -0.145 0.000 1.065 724 R CB 0.310 30.555 30.300 -0.092 0.000 0.964 724 R HN 0.419 nan 8.270 nan 0.000 0.428 725 L N 2.215 123.365 121.223 -0.120 0.000 2.313 725 L HA 0.644 4.984 4.340 0.000 0.000 0.268 725 L C 0.417 177.200 176.870 -0.145 0.000 1.010 725 L CA -0.921 53.849 54.840 -0.117 0.000 0.814 725 L CB 1.562 43.550 42.059 -0.119 0.000 1.304 725 L HN 0.446 nan 8.230 nan 0.000 0.441 726 R N 0.396 120.805 120.500 -0.153 0.000 2.561 726 R HA 0.319 4.659 4.340 0.000 0.000 0.266 726 R C -1.792 174.422 176.300 -0.144 0.000 1.091 726 R CA -0.710 55.298 56.100 -0.152 0.000 0.927 726 R CB 1.366 31.636 30.300 -0.049 0.000 1.240 726 R HN 0.366 nan 8.270 nan 0.000 0.449 727 Y N 1.821 122.108 120.300 -0.020 0.000 2.620 727 Y HA 0.164 4.714 4.550 0.000 0.000 0.330 727 Y C 1.445 177.287 175.900 -0.097 0.000 1.186 727 Y CA 1.508 59.567 58.100 -0.068 0.000 1.467 727 Y CB 0.708 39.132 38.460 -0.060 0.000 1.262 727 Y HN 0.794 nan 8.280 nan 0.000 0.550 728 G N 1.442 110.208 108.800 -0.058 0.000 2.580 728 G HA2 -0.015 3.945 3.960 0.000 0.000 0.225 728 G HA3 -0.015 3.945 3.960 0.000 0.000 0.225 728 G C -0.503 174.337 174.900 -0.100 0.000 1.521 728 G CA -0.473 44.611 45.100 -0.026 0.000 1.068 728 G HN 0.585 nan 8.290 nan 0.000 0.564 729 D N 0.580 120.975 120.400 -0.008 0.000 3.134 729 D HA 0.368 5.008 4.640 0.000 0.000 0.248 729 D C 0.768 177.014 176.300 -0.091 0.000 1.273 729 D CA 0.037 54.037 54.000 0.000 0.000 0.904 729 D CB 0.057 40.913 40.800 0.095 0.000 1.089 729 D HN 0.409 nan 8.370 nan 0.000 0.478 730 G N -0.108 108.483 108.800 -0.348 0.000 2.400 730 G HA2 0.513 4.473 3.960 0.000 0.000 0.301 730 G HA3 0.513 4.473 3.960 0.000 0.000 0.301 730 G C 0.121 174.842 174.900 -0.298 0.000 1.154 730 G CA -0.425 44.444 45.100 -0.384 0.000 0.852 730 G HN 0.215 nan 8.290 nan 0.000 0.511 731 S N 0.824 116.275 115.700 -0.416 0.000 2.745 731 S HA 0.442 4.912 4.470 0.000 0.000 0.306 731 S C 1.106 175.125 174.600 -0.967 0.000 1.137 731 S CA -1.005 56.913 58.200 -0.471 0.000 0.900 731 S CB 1.895 64.943 63.200 -0.254 0.000 1.176 731 S HN 0.529 nan 8.310 nan 0.000 0.520 732 R N 0.662 120.797 120.500 -0.607 0.000 2.211 732 R HA -0.092 4.248 4.340 0.000 0.000 0.240 732 R C 1.273 177.290 176.300 -0.471 0.000 1.144 732 R CA 1.147 56.944 56.100 -0.505 0.000 0.992 732 R CB -0.515 29.720 30.300 -0.109 0.000 0.869 732 R HN 0.670 nan 8.270 nan 0.000 0.462 733 R N -0.634 119.628 120.500 -0.396 0.000 3.160 733 R HA 0.046 4.386 4.340 0.000 0.000 0.266 733 R C 1.607 177.767 176.300 -0.232 0.000 1.167 733 R CA 0.301 56.263 56.100 -0.230 0.000 1.124 733 R CB -0.430 29.775 30.300 -0.158 0.000 1.034 733 R HN -0.052 nan 8.270 nan 0.000 0.536 734 G N -0.240 108.495 108.800 -0.108 0.000 2.479 734 G HA2 -0.248 3.712 3.960 0.000 0.000 0.220 734 G HA3 -0.248 3.712 3.960 0.000 0.000 0.220 734 G C 0.367 175.241 174.900 -0.043 0.000 1.115 734 G CA 0.435 45.504 45.100 -0.051 0.000 0.757 734 G HN 0.528 nan 8.290 nan 0.000 0.560 735 N N 0.605 119.252 118.700 -0.089 0.000 3.193 735 N HA 0.172 4.912 4.740 0.000 0.000 0.312 735 N C -1.224 174.234 175.510 -0.087 0.000 1.261 735 N CA -0.102 52.972 53.050 0.039 0.000 1.208 735 N CB -0.354 38.187 38.487 0.089 0.000 1.471 735 N HN 0.003 nan 8.380 nan 0.000 0.548 736 F N 2.140 122.119 119.950 0.049 0.000 2.293 736 F HA 0.257 4.784 4.527 0.000 0.000 0.370 736 F C 0.001 175.859 175.800 0.096 0.000 1.090 736 F CA -1.173 56.814 58.000 -0.023 0.000 1.133 736 F CB -0.206 38.741 39.000 -0.089 0.000 1.360 736 F HN 0.141 nan 8.300 nan 0.000 0.489 737 Y N 0.381 120.857 120.300 0.293 0.000 2.662 737 Y HA 0.912 5.462 4.550 0.000 0.000 0.335 737 Y C -1.549 174.498 175.900 0.246 0.000 1.066 737 Y CA -1.845 56.401 58.100 0.245 0.000 1.116 737 Y CB 1.085 39.644 38.460 0.164 0.000 1.308 737 Y HN -0.035 nan 8.280 nan 0.000 0.502 738 V N 1.239 121.369 119.914 0.361 0.000 2.841 738 V HA 0.407 4.527 4.120 0.000 0.000 0.310 738 V C -1.035 175.176 176.094 0.196 0.000 1.090 738 V CA -0.922 61.475 62.300 0.162 0.000 0.930 738 V CB 1.847 33.684 31.823 0.024 0.000 1.014 738 V HN 0.907 nan 8.190 nan 0.000 0.425 739 E N 4.282 124.560 120.200 0.130 0.000 2.256 739 E HA 0.640 4.990 4.350 0.000 0.000 0.267 739 E C -3.023 173.597 176.600 0.033 0.000 0.892 739 E CA -2.522 53.941 56.400 0.105 0.000 0.775 739 E CB 2.328 32.112 29.700 0.139 0.000 1.207 739 E HN 0.331 nan 8.360 nan 0.000 0.420 740 P HA -0.008 nan 4.420 nan 0.000 0.264 740 P C -0.921 176.373 177.300 -0.011 0.000 1.193 740 P CA 0.203 63.296 63.100 -0.011 0.000 0.763 740 P CB 0.358 32.051 31.700 -0.012 0.000 0.810 741 D N 2.835 123.218 120.400 -0.029 0.000 2.456 741 D HA 0.304 4.944 4.640 0.000 0.000 0.219 741 D C 1.041 177.331 176.300 -0.018 0.000 1.126 741 D CA -0.450 53.537 54.000 -0.022 0.000 0.890 741 D CB 0.476 41.254 40.800 -0.037 0.000 1.025 741 D HN 0.226 nan 8.370 nan 0.000 0.511 742 A N 3.503 126.320 122.820 -0.005 0.000 2.014 742 A HA 0.070 4.390 4.320 0.000 0.000 0.218 742 A C 2.062 179.656 177.584 0.017 0.000 1.163 742 A CA 1.406 53.443 52.037 0.001 0.000 0.652 742 A CB -0.251 18.752 19.000 0.004 0.000 0.808 742 A HN 0.581 nan 8.150 nan 0.000 0.449 743 A N -0.687 122.145 122.820 0.020 0.000 1.873 743 A HA -0.100 4.220 4.320 0.000 0.000 0.215 743 A C 2.463 180.084 177.584 0.061 0.000 1.186 743 A CA 2.023 54.084 52.037 0.040 0.000 0.616 743 A CB -0.939 18.074 19.000 0.021 0.000 0.823 743 A HN 0.538 nan 8.150 nan 0.000 0.442 744 S N -0.209 115.501 115.700 0.016 0.000 2.423 744 S HA -0.133 4.337 4.470 0.000 0.000 0.231 744 S C 1.807 176.454 174.600 0.077 0.000 1.014 744 S CA 1.337 59.546 58.200 0.015 0.000 0.965 744 S CB -0.563 62.612 63.200 -0.042 0.000 0.785 744 S HN 0.622 nan 8.310 nan 0.000 0.495 745 N N 1.739 120.465 118.700 0.043 0.000 2.171 745 N HA -0.011 4.729 4.740 0.000 0.000 0.184 745 N C 0.733 176.281 175.510 0.063 0.000 1.021 745 N CA 1.192 54.261 53.050 0.032 0.000 0.854 745 N CB -0.461 38.019 38.487 -0.012 0.000 0.994 745 N HN 0.414 nan 8.380 nan 0.000 0.426 746 D N -0.421 120.024 120.400 0.076 0.000 2.340 746 D HA 0.016 4.656 4.640 0.000 0.000 0.220 746 D C 0.042 176.403 176.300 0.102 0.000 1.039 746 D CA -0.141 53.898 54.000 0.065 0.000 0.866 746 D CB -0.360 40.468 40.800 0.047 0.000 0.913 746 D HN 0.171 nan 8.370 nan 0.000 0.523 747 F N 1.377 121.326 119.950 -0.002 0.000 2.518 747 F HA 0.181 4.708 4.527 0.000 0.000 0.359 747 F C 0.064 175.864 175.800 0.000 0.000 1.118 747 F CA -0.165 57.836 58.000 0.001 0.000 1.287 747 F CB 0.791 39.795 39.000 0.007 0.000 1.132 747 F HN -0.271 nan 8.300 nan 0.000 0.587 748 V N 6.033 125.458 119.914 -0.815 0.000 2.686 748 V HA 0.570 4.690 4.120 0.000 0.000 0.306 748 V C -0.822 174.839 176.094 -0.721 0.000 1.065 748 V CA 0.081 62.043 62.300 -0.563 0.000 0.894 748 V CB 2.036 33.673 31.823 -0.310 0.000 1.004 748 V HN 0.976 nan 8.190 nan 0.000 0.424 749 T N 3.418 117.715 114.554 -0.428 0.000 2.888 749 T HA 0.674 5.025 4.350 0.000 0.000 0.284 749 T C -0.527 174.074 174.700 -0.164 0.000 1.017 749 T CA -0.576 61.366 62.100 -0.264 0.000 1.022 749 T CB 1.278 70.093 68.868 -0.088 0.000 1.013 749 T HN 0.809 nan 8.240 nan 0.000 0.465 750 c N 3.889 122.431 118.600 -0.096 0.000 2.340 750 c HA 0.638 5.208 4.570 0.000 0.000 0.323 750 c C 0.559 174.672 174.090 0.039 0.000 1.260 750 c CA -0.068 56.232 56.329 -0.048 0.000 1.464 750 c CB -0.175 42.301 42.510 -0.057 0.000 2.156 750 c HN 1.170 nan 8.230 nan 0.000 0.476 751 D N 1.930 122.400 120.400 0.116 0.000 3.685 751 D HA -0.220 4.420 4.640 0.000 0.000 0.152 751 D C 1.384 177.719 176.300 0.060 0.000 0.966 751 D CA 2.391 56.473 54.000 0.137 0.000 1.085 751 D CB -1.245 39.640 40.800 0.141 0.000 0.521 751 D HN 1.543 nan 8.370 nan 0.000 0.543 752 G N 0.193 109.042 108.800 0.082 0.000 2.166 752 G HA2 0.108 4.068 3.960 0.000 0.000 0.260 752 G HA3 0.108 4.068 3.960 0.000 0.000 0.260 752 G C 1.079 175.564 174.900 -0.692 0.000 0.986 752 G CA 1.307 46.367 45.100 -0.066 0.000 0.683 752 G HN 1.821 nan 8.290 nan 0.000 0.527 753 G N -1.744 106.563 108.800 -0.821 0.000 2.149 753 G HA2 0.043 4.003 3.960 0.000 0.000 0.235 753 G HA3 0.043 4.003 3.960 0.000 0.000 0.235 753 G C 1.103 175.831 174.900 -0.287 0.000 1.018 753 G CA 1.586 46.162 45.100 -0.874 0.000 0.728 753 G HN 2.203 nan 8.290 nan 0.000 0.508 754 T N -3.568 110.905 114.554 -0.135 0.000 3.014 754 T HA 0.207 4.557 4.350 0.000 0.000 0.250 754 T C 1.791 176.466 174.700 -0.040 0.000 1.060 754 T CA 1.230 63.308 62.100 -0.038 0.000 1.040 754 T CB 0.205 69.097 68.868 0.040 0.000 0.971 754 T HN 0.395 nan 8.240 nan 0.000 0.497 755 Q N 0.530 120.254 119.800 -0.125 0.000 2.084 755 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 755 Q C 0.457 176.274 176.000 -0.305 0.000 0.978 755 Q CA 1.052 56.565 55.803 -0.484 0.000 0.844 755 Q CB -0.498 27.950 28.738 -0.483 0.000 0.898 755 Q HN 0.589 nan 8.270 nan 0.000 0.426 756 F N -0.876 118.908 119.950 -0.276 0.000 2.943 756 F HA -0.263 4.264 4.527 0.000 0.000 0.258 756 F C -0.255 175.259 175.800 -0.477 0.000 0.995 756 F CA 0.412 58.309 58.000 -0.173 0.000 0.896 756 F CB -0.867 38.077 39.000 -0.093 0.000 0.821 756 F HN 0.175 nan 8.300 nan 0.000 0.828 757 G N 0.066 108.196 108.800 -1.116 0.000 2.720 757 G HA2 0.409 4.369 3.960 0.000 0.000 0.295 757 G HA3 0.409 4.369 3.960 0.000 0.000 0.295 757 G C 0.254 174.428 174.900 -1.209 0.000 1.437 757 G CA -0.223 44.244 45.100 -1.054 0.000 0.886 757 G HN 0.570 nan 8.290 nan 0.000 0.509 758 S N -0.193 115.126 115.700 -0.635 0.000 2.440 758 S HA -0.030 4.440 4.470 0.000 0.000 0.238 758 S C 2.131 176.774 174.600 0.072 0.000 1.010 758 S CA 1.536 59.642 58.200 -0.156 0.000 0.972 758 S CB -0.029 63.183 63.200 0.020 0.000 0.774 758 S HN 1.471 nan 8.310 nan 0.000 0.501 759 A N 0.830 123.674 122.820 0.041 0.000 2.261 759 A HA 0.679 4.999 4.320 0.000 0.000 0.208 759 A C 2.068 179.687 177.584 0.058 0.000 1.223 759 A CA 0.606 52.749 52.037 0.177 0.000 0.833 759 A CB -0.903 18.281 19.000 0.307 0.000 0.830 759 A HN 0.676 nan 8.150 nan 0.000 0.483 760 A N -1.148 121.651 122.820 -0.035 0.000 2.015 760 A HA 0.238 4.558 4.320 0.000 0.000 0.219 760 A C 0.568 177.986 177.584 -0.277 0.000 1.163 760 A CA 0.898 52.836 52.037 -0.164 0.000 0.646 760 A CB -0.216 18.706 19.000 -0.130 0.000 0.806 760 A HN 0.522 nan 8.150 nan 0.000 0.448 761 Y N -2.820 117.638 120.300 0.263 0.000 2.609 761 Y HA 0.581 5.131 4.550 0.000 0.000 0.342 761 Y C -0.544 175.561 175.900 0.341 0.000 1.058 761 Y CA -1.265 57.047 58.100 0.353 0.000 1.055 761 Y CB 1.219 40.013 38.460 0.557 0.000 1.292 761 Y HN -0.041 nan 8.280 nan 0.000 0.476 762 L N 3.416 124.859 121.223 0.367 0.000 2.357 762 L HA 0.539 4.879 4.340 0.000 0.000 0.273 762 L C -2.315 174.489 176.870 -0.111 0.000 1.080 762 L CA -2.053 52.821 54.840 0.055 0.000 0.803 762 L CB 0.271 42.291 42.059 -0.064 0.000 1.174 762 L HN 0.352 nan 8.230 nan 0.000 0.443 763 P HA 0.091 nan 4.420 nan 0.000 0.266 763 P C 0.044 176.949 177.300 -0.659 0.000 1.193 763 P CA -0.067 62.441 63.100 -0.987 0.000 0.770 763 P CB 0.407 30.811 31.700 -2.160 0.000 0.836 764 G N 1.465 110.001 108.800 -0.439 0.000 2.621 764 G HA2 0.158 4.118 3.960 0.000 0.000 0.271 764 G HA3 0.158 4.118 3.960 0.000 0.000 0.271 764 G C -0.609 174.172 174.900 -0.198 0.000 1.236 764 G CA -0.418 44.555 45.100 -0.212 0.000 0.958 764 G HN 0.364 nan 8.290 nan 0.000 0.512 765 D N -0.440 119.881 120.400 -0.132 0.000 2.345 765 D HA 0.519 5.159 4.640 0.000 0.000 0.247 765 D C 0.678 176.837 176.300 -0.235 0.000 1.108 765 D CA 0.373 54.269 54.000 -0.174 0.000 0.894 765 D CB 1.063 41.827 40.800 -0.061 0.000 1.203 765 D HN 0.625 nan 8.370 nan 0.000 0.430 766 R N -0.334 119.877 120.500 -0.482 0.000 2.687 766 R HA 0.724 5.064 4.340 0.000 0.000 0.265 766 R C -0.869 174.929 176.300 -0.837 0.000 1.048 766 R CA -1.154 54.580 56.100 -0.610 0.000 0.884 766 R CB 0.802 30.896 30.300 -0.344 0.000 1.258 766 R HN 0.505 nan 8.270 nan 0.000 0.469 767 G N 0.195 108.352 108.800 -1.072 0.000 2.827 767 G HA2 0.679 4.639 3.960 0.000 0.000 0.296 767 G HA3 0.679 4.639 3.960 0.000 0.000 0.296 767 G C -1.381 173.118 174.900 -0.668 0.000 1.362 767 G CA -0.361 44.300 45.100 -0.733 0.000 0.809 767 G HN 0.974 nan 8.290 nan 0.000 0.522 768 S N -2.406 113.235 115.700 -0.098 0.000 2.618 768 S HA 0.807 5.277 4.470 0.000 0.000 0.277 768 S C -1.514 173.259 174.600 0.288 0.000 1.138 768 S CA -0.705 57.569 58.200 0.124 0.000 0.844 768 S CB 1.859 65.066 63.200 0.011 0.000 1.127 768 S HN 1.966 nan 8.310 nan 0.000 0.474 769 V N 1.699 121.757 119.914 0.240 0.000 2.697 769 V HA 0.745 4.865 4.120 0.000 0.000 0.300 769 V C -0.728 175.435 176.094 0.115 0.000 1.115 769 V CA 0.443 62.843 62.300 0.167 0.000 0.912 769 V CB 1.510 33.420 31.823 0.144 0.000 1.024 769 V HN 1.501 nan 8.190 nan 0.000 0.431 770 T N 5.360 119.967 114.554 0.089 0.000 2.856 770 T HA 0.796 5.146 4.350 0.000 0.000 0.283 770 T C -0.799 173.888 174.700 -0.022 0.000 1.008 770 T CA -0.706 61.440 62.100 0.077 0.000 0.997 770 T CB 1.632 70.565 68.868 0.108 0.000 0.992 770 T HN 0.693 nan 8.240 nan 0.000 0.454 771 L N 2.986 124.176 121.223 -0.056 0.000 2.442 771 L HA 0.615 4.955 4.340 0.000 0.000 0.261 771 L C 0.699 177.371 176.870 -0.330 0.000 1.000 771 L CA -0.860 53.866 54.840 -0.190 0.000 0.882 771 L CB 1.247 43.309 42.059 0.006 0.000 1.207 771 L HN 1.008 nan 8.230 nan 0.000 0.443 772 G N 0.873 109.171 108.800 -0.837 0.000 2.491 772 G HA2 0.777 4.737 3.960 0.000 0.000 0.327 772 G HA3 0.777 4.737 3.960 0.000 0.000 0.327 772 G C -0.591 173.959 174.900 -0.583 0.000 1.189 772 G CA -0.668 43.918 45.100 -0.857 0.000 0.956 772 G HN 0.559 nan 8.290 nan 0.000 0.491 773 G N -0.230 108.498 108.800 -0.121 0.000 2.684 773 G HA2 0.543 4.503 3.960 0.000 0.000 0.289 773 G HA3 0.543 4.503 3.960 0.000 0.000 0.289 773 G C -0.793 174.204 174.900 0.163 0.000 1.416 773 G CA -0.839 44.309 45.100 0.081 0.000 1.235 773 G HN 0.599 nan 8.290 nan 0.000 0.576 774 R N 0.718 121.333 120.500 0.192 0.000 2.428 774 R HA 0.826 5.166 4.340 0.000 0.000 0.294 774 R C 0.056 176.437 176.300 0.134 0.000 1.000 774 R CA -0.264 55.936 56.100 0.166 0.000 0.960 774 R CB 1.986 32.367 30.300 0.135 0.000 1.076 774 R HN 0.725 nan 8.270 nan 0.000 0.475 775 A N 1.406 124.335 122.820 0.181 0.000 2.535 775 A HA 0.619 4.939 4.320 0.000 0.000 0.296 775 A C -1.114 176.640 177.584 0.283 0.000 1.248 775 A CA -0.867 51.266 52.037 0.159 0.000 0.686 775 A CB 0.374 19.469 19.000 0.158 0.000 1.315 775 A HN 0.684 nan 8.150 nan 0.000 0.460 776 F N 0.431 120.424 119.950 0.072 0.000 2.417 776 F HA -0.155 4.372 4.527 0.000 0.000 0.225 776 F C 0.660 176.499 175.800 0.065 0.000 1.032 776 F CA 1.738 59.792 58.000 0.091 0.000 0.919 776 F CB -1.075 38.029 39.000 0.174 0.000 1.012 776 F HN 0.860 nan 8.300 nan 0.000 0.819 777 D N 0.399 120.873 120.400 0.122 0.000 2.800 777 D HA -0.290 4.350 4.640 0.000 0.000 0.232 777 D C 0.994 177.330 176.300 0.059 0.000 1.137 777 D CA 1.639 55.684 54.000 0.076 0.000 0.718 777 D CB -0.490 40.360 40.800 0.083 0.000 1.084 777 D HN 0.753 nan 8.370 nan 0.000 0.432 778 R N -1.725 118.813 120.500 0.064 0.000 3.951 778 R HA -0.234 4.106 4.340 0.000 0.000 0.352 778 R C -0.762 175.565 176.300 0.045 0.000 1.178 778 R CA 1.753 57.880 56.100 0.046 0.000 0.949 778 R CB -1.181 29.127 30.300 0.014 0.000 1.452 778 R HN 0.211 nan 8.270 nan 0.000 0.540 779 K N 0.503 120.946 120.400 0.072 0.000 2.895 779 K HA 0.358 4.678 4.320 0.000 0.000 0.191 779 K C -1.240 175.412 176.600 0.088 0.000 1.117 779 K CA -0.368 55.934 56.287 0.025 0.000 0.988 779 K CB 0.395 32.843 32.500 -0.087 0.000 1.181 779 K HN 0.116 nan 8.250 nan 0.000 0.598 780 L N 1.929 123.262 121.223 0.183 0.000 3.088 780 L HA 0.286 4.626 4.340 0.000 0.000 0.337 780 L C -0.916 176.073 176.870 0.198 0.000 1.293 780 L CA -0.219 54.776 54.840 0.258 0.000 0.784 780 L CB 0.748 43.028 42.059 0.369 0.000 1.215 780 L HN 0.423 nan 8.230 nan 0.000 0.581 781 D N 2.759 123.265 120.400 0.178 0.000 2.455 781 D HA 0.332 4.972 4.640 0.000 0.000 0.265 781 D C -0.076 176.336 176.300 0.185 0.000 1.284 781 D CA 0.837 54.967 54.000 0.217 0.000 0.944 781 D CB 0.722 41.658 40.800 0.228 0.000 1.121 781 D HN 0.470 nan 8.370 nan 0.000 0.525 782 A N 2.581 125.436 122.820 0.058 0.000 2.459 782 A HA 0.777 5.097 4.320 0.000 0.000 0.296 782 A C 0.018 177.342 177.584 -0.433 0.000 1.039 782 A CA 0.003 51.907 52.037 -0.222 0.000 0.698 782 A CB 1.871 20.809 19.000 -0.103 0.000 1.261 782 A HN 0.614 nan 8.150 nan 0.000 0.405 783 G N -0.827 107.349 108.800 -1.039 0.000 2.677 783 G HA2 0.705 4.665 3.960 0.000 0.000 0.283 783 G HA3 0.705 4.665 3.960 0.000 0.000 0.283 783 G C -1.546 173.014 174.900 -0.567 0.000 1.221 783 G CA 0.227 44.924 45.100 -0.671 0.000 0.851 783 G HN 2.013 nan 8.290 nan 0.000 0.504 784 V N -0.207 119.650 119.914 -0.094 0.000 2.777 784 V HA 0.762 4.882 4.120 0.000 0.000 0.306 784 V C -1.016 175.225 176.094 0.244 0.000 1.112 784 V CA -0.266 62.112 62.300 0.130 0.000 0.917 784 V CB 1.944 33.832 31.823 0.108 0.000 1.018 784 V HN 0.918 nan 8.190 nan 0.000 0.426 785 T N 5.868 120.585 114.554 0.273 0.000 2.797 785 T HA 0.607 4.957 4.350 0.000 0.000 0.279 785 T C -0.679 174.089 174.700 0.113 0.000 0.991 785 T CA -0.323 61.883 62.100 0.176 0.000 0.979 785 T CB 1.516 70.459 68.868 0.124 0.000 0.943 785 T HN 0.588 nan 8.240 nan 0.000 0.444 786 V N 4.834 124.795 119.914 0.077 0.000 2.313 786 V HA 0.382 4.502 4.120 0.000 0.000 0.278 786 V C 0.157 176.301 176.094 0.083 0.000 1.017 786 V CA -0.888 61.395 62.300 -0.027 0.000 0.823 786 V CB 0.792 32.562 31.823 -0.089 0.000 1.010 786 V HN 0.708 nan 8.190 nan 0.000 0.443 787 R N 5.331 125.833 120.500 0.003 0.000 2.210 787 R HA 0.591 4.931 4.340 0.000 0.000 0.338 787 R C -0.545 175.797 176.300 0.070 0.000 1.062 787 R CA -0.040 56.072 56.100 0.021 0.000 0.902 787 R CB 0.558 30.857 30.300 -0.001 0.000 1.050 787 R HN 0.713 nan 8.270 nan 0.000 0.461 788 F N -0.005 119.871 119.950 -0.122 0.000 2.620 788 F HA 0.927 5.454 4.527 0.000 0.000 0.320 788 F C -0.957 174.629 175.800 -0.356 0.000 1.069 788 F CA -1.476 56.383 58.000 -0.235 0.000 0.953 788 F CB 1.807 40.718 39.000 -0.147 0.000 1.322 788 F HN 0.413 nan 8.300 nan 0.000 0.479 789 A N 2.191 124.764 122.820 -0.412 0.000 2.488 789 A HA 0.668 4.988 4.320 0.000 0.000 0.295 789 A C -2.721 174.811 177.584 -0.086 0.000 1.045 789 A CA -1.506 50.294 52.037 -0.395 0.000 0.703 789 A CB 1.381 19.934 19.000 -0.746 0.000 1.271 789 A HN 0.516 nan 8.150 nan 0.000 0.400 790 P HA 0.157 nan 4.420 nan 0.000 0.218 790 P C 0.772 178.150 177.300 0.129 0.000 1.149 790 P CA 1.885 65.077 63.100 0.154 0.000 0.817 790 P CB 0.204 32.035 31.700 0.219 0.000 0.785 791 G N -1.159 107.723 108.800 0.137 0.000 3.069 791 G HA2 0.004 3.964 3.960 0.000 0.000 0.686 791 G HA3 0.004 3.964 3.960 0.000 0.000 0.686 791 G C -1.896 173.179 174.900 0.291 0.000 1.161 791 G CA -0.871 44.352 45.100 0.204 0.000 0.804 791 G HN 0.135 nan 8.290 nan 0.000 0.608 792 Y N 2.409 122.824 120.300 0.192 0.000 2.331 792 Y HA 0.715 5.265 4.550 0.000 0.000 0.326 792 Y C -0.421 175.563 175.900 0.140 0.000 1.020 792 Y CA -0.869 57.339 58.100 0.180 0.000 1.136 792 Y CB 1.528 40.125 38.460 0.229 0.000 1.157 792 Y HN 0.738 nan 8.280 nan 0.000 0.444 793 Q N 3.924 123.529 119.800 -0.324 0.000 2.372 793 Q HA 0.324 4.664 4.340 0.000 0.000 0.273 793 Q C -1.895 173.815 176.000 -0.484 0.000 1.078 793 Q CA -1.074 54.456 55.803 -0.456 0.000 0.806 793 Q CB 2.615 31.221 28.738 -0.219 0.000 1.332 793 Q HN 0.611 nan 8.270 nan 0.000 0.435 794 D N 0.213 120.296 120.400 -0.529 0.000 2.453 794 D HA 0.270 4.910 4.640 0.000 0.000 0.238 794 D C -0.356 175.799 176.300 -0.241 0.000 1.088 794 D CA -0.260 53.548 54.000 -0.321 0.000 0.854 794 D CB 1.398 42.029 40.800 -0.282 0.000 1.076 794 D HN 0.391 nan 8.370 nan 0.000 0.533 795 S N 0.832 116.435 115.700 -0.162 0.000 2.535 795 S HA -0.054 4.416 4.470 0.000 0.000 0.214 795 S C 1.739 176.266 174.600 -0.122 0.000 0.980 795 S CA 0.105 58.216 58.200 -0.147 0.000 0.907 795 S CB 0.205 63.336 63.200 -0.116 0.000 0.790 795 S HN 0.556 nan 8.310 nan 0.000 0.510 796 S N 1.439 117.081 115.700 -0.096 0.000 2.555 796 S HA 0.072 4.542 4.470 0.000 0.000 0.230 796 S C 0.666 175.192 174.600 -0.123 0.000 0.978 796 S CA -0.021 58.136 58.200 -0.073 0.000 0.934 796 S CB -0.677 62.508 63.200 -0.024 0.000 0.766 796 S HN 0.361 nan 8.310 nan 0.000 0.533 797 V N -2.059 117.725 119.914 -0.217 0.000 2.628 797 V HA 0.713 4.833 4.120 0.000 0.000 0.306 797 V C -3.103 172.724 176.094 -0.445 0.000 1.045 797 V CA -2.987 59.045 62.300 -0.447 0.000 0.905 797 V CB 0.945 32.332 31.823 -0.727 0.000 0.997 797 V HN -0.092 nan 8.190 nan 0.000 0.436 798 P HA 0.237 nan 4.420 nan 0.000 0.268 798 P C 0.697 177.892 177.300 -0.175 0.000 1.208 798 P CA 0.085 63.069 63.100 -0.193 0.000 0.777 798 P CB 0.622 32.324 31.700 0.004 0.000 0.875 799 S N 0.744 116.395 115.700 -0.082 0.000 2.561 799 S HA -0.081 4.389 4.470 0.000 0.000 0.225 799 S C 1.329 175.939 174.600 0.017 0.000 0.977 799 S CA 0.479 58.640 58.200 -0.065 0.000 0.926 799 S CB -0.787 62.362 63.200 -0.085 0.000 0.769 799 S HN 0.626 nan 8.310 nan 0.000 0.533 800 N N 0.344 119.104 118.700 0.099 0.000 2.494 800 N HA -0.085 4.655 4.740 0.000 0.000 0.182 800 N C -0.197 175.441 175.510 0.214 0.000 1.076 800 N CA 0.221 53.345 53.050 0.123 0.000 0.908 800 N CB -0.743 37.809 38.487 0.109 0.000 0.967 800 N HN 0.232 nan 8.380 nan 0.000 0.449 801 Y N 1.504 121.815 120.300 0.018 0.000 2.702 801 Y HA 0.093 4.643 4.550 0.000 0.000 0.336 801 Y C -0.949 174.988 175.900 0.061 0.000 1.235 801 Y CA -1.696 56.443 58.100 0.064 0.000 1.492 801 Y CB -0.147 38.366 38.460 0.088 0.000 1.308 801 Y HN 0.015 nan 8.280 nan 0.000 0.589 802 P HA -0.133 nan 4.420 nan 0.000 0.215 802 P C -0.747 176.547 177.300 -0.010 0.000 1.157 802 P CA 1.633 64.839 63.100 0.176 0.000 0.863 802 P CB 0.174 32.170 31.700 0.493 0.000 0.787 803 Y N -0.873 119.486 120.300 0.099 0.000 2.328 803 Y HA 0.428 4.978 4.550 0.000 0.000 0.336 803 Y C 0.343 176.376 175.900 0.221 0.000 0.960 803 Y CA -0.948 57.213 58.100 0.102 0.000 1.134 803 Y CB 1.067 39.587 38.460 0.099 0.000 1.166 803 Y HN -0.256 nan 8.280 nan 0.000 0.464 804 L N 2.533 123.792 121.223 0.061 0.000 2.319 804 L HA 0.812 5.152 4.340 0.000 0.000 0.267 804 L C -0.150 176.250 176.870 -0.784 0.000 1.011 804 L CA -1.333 53.377 54.840 -0.217 0.000 0.818 804 L CB 1.901 43.783 42.059 -0.295 0.000 1.316 804 L HN 0.644 nan 8.230 nan 0.000 0.432 805 A N 0.729 122.768 122.820 -1.301 0.000 2.880 805 A HA 0.372 4.692 4.320 0.000 0.000 0.328 805 A C -0.670 176.130 177.584 -1.307 0.000 1.440 805 A CA -0.075 50.978 52.037 -1.640 0.000 1.068 805 A CB -0.414 17.594 19.000 -1.653 0.000 1.163 805 A HN 0.597 nan 8.150 nan 0.000 0.510 806 D N 2.366 121.856 120.400 -1.518 0.000 2.441 806 D HA 0.255 4.895 4.640 0.000 0.000 0.287 806 D C -1.140 174.701 176.300 -0.765 0.000 1.198 806 D CA -0.120 53.358 54.000 -0.871 0.000 0.894 806 D CB 0.069 40.518 40.800 -0.585 0.000 1.070 806 D HN 0.518 nan 8.370 nan 0.000 0.499 807 W N 3.863 125.148 121.300 -0.025 0.000 2.319 807 W HA 0.297 4.957 4.660 0.000 0.000 0.288 807 W C -2.524 174.086 176.519 0.151 0.000 0.959 807 W CA -1.838 55.572 57.345 0.108 0.000 1.784 807 W CB 0.655 30.221 29.460 0.177 0.000 1.848 807 W HN 0.131 nan 8.180 nan 0.000 0.408 808 P HA -0.033 nan 4.420 nan 0.000 0.270 808 P C 0.373 177.861 177.300 0.315 0.000 1.227 808 P CA 0.272 63.514 63.100 0.237 0.000 0.788 808 P CB 0.837 32.652 31.700 0.191 0.000 0.926 809 K N 1.431 121.963 120.400 0.220 0.000 2.380 809 K HA 0.233 4.553 4.320 0.000 0.000 0.267 809 K C -0.755 175.997 176.600 0.253 0.000 0.990 809 K CA 0.056 56.436 56.287 0.155 0.000 0.946 809 K CB -0.080 32.490 32.500 0.118 0.000 0.937 809 K HN 0.557 nan 8.250 nan 0.000 0.491 810 Y N -2.789 117.603 120.300 0.154 0.000 2.521 810 Y HA 0.385 4.935 4.550 0.000 0.000 0.332 810 Y C -1.709 174.220 175.900 0.048 0.000 1.121 810 Y CA -1.115 57.048 58.100 0.105 0.000 1.037 810 Y CB 1.469 39.998 38.460 0.116 0.000 1.330 810 Y HN 0.558 nan 8.280 nan 0.000 0.452 811 T N 5.336 119.995 114.554 0.175 0.000 2.892 811 T HA 0.599 4.949 4.350 0.000 0.000 0.311 811 T C -0.687 173.939 174.700 -0.123 0.000 1.033 811 T CA -0.541 61.561 62.100 0.004 0.000 0.991 811 T CB 0.411 69.260 68.868 -0.033 0.000 0.981 811 T HN 0.649 nan 8.240 nan 0.000 0.457 812 L N 2.903 124.001 121.223 -0.209 0.000 2.331 812 L HA 0.695 5.035 4.340 0.000 0.000 0.275 812 L C -0.901 175.721 176.870 -0.413 0.000 1.022 812 L CA -1.060 53.646 54.840 -0.224 0.000 0.812 812 L CB 1.226 43.152 42.059 -0.221 0.000 1.257 812 L HN 0.523 nan 8.230 nan 0.000 0.435 813 F N 0.276 120.250 119.950 0.041 0.000 2.460 813 F HA 0.343 4.870 4.527 0.000 0.000 0.341 813 F C -0.502 175.331 175.800 0.055 0.000 1.130 813 F CA -0.770 57.262 58.000 0.053 0.000 0.962 813 F CB 1.570 40.596 39.000 0.043 0.000 1.171 813 F HN 0.347 nan 8.300 nan 0.000 0.436 814 D N 4.560 125.087 120.400 0.213 0.000 2.381 814 D HA 0.463 5.103 4.640 0.000 0.000 0.235 814 D C -0.343 176.095 176.300 0.231 0.000 1.068 814 D CA -0.190 53.919 54.000 0.181 0.000 0.832 814 D CB 1.590 42.468 40.800 0.130 0.000 1.101 814 D HN 0.291 nan 8.370 nan 0.000 0.515 815 L N 2.418 123.754 121.223 0.188 0.000 2.399 815 L HA 0.599 4.939 4.340 0.000 0.000 0.265 815 L C -0.626 176.382 176.870 0.229 0.000 1.089 815 L CA -1.079 53.848 54.840 0.143 0.000 0.802 815 L CB 0.607 42.704 42.059 0.063 0.000 1.180 815 L HN 0.451 nan 8.230 nan 0.000 0.454 816 Y N 0.159 120.492 120.300 0.055 0.000 2.521 816 Y HA 0.797 5.347 4.550 0.000 0.000 0.328 816 Y C -1.262 174.675 175.900 0.061 0.000 1.151 816 Y CA -1.124 57.009 58.100 0.056 0.000 1.054 816 Y CB 1.156 39.650 38.460 0.057 0.000 1.338 816 Y HN 0.621 nan 8.280 nan 0.000 0.453 817 A N 1.809 124.721 122.820 0.154 0.000 2.498 817 A HA 0.885 5.205 4.320 0.000 0.000 0.298 817 A C -1.205 176.487 177.584 0.180 0.000 1.075 817 A CA -0.426 51.669 52.037 0.096 0.000 0.714 817 A CB 1.882 20.905 19.000 0.038 0.000 1.299 817 A HN 1.294 nan 8.150 nan 0.000 0.407 818 S N -0.028 115.778 115.700 0.178 0.000 2.603 818 S HA 0.601 5.071 4.470 0.000 0.000 0.274 818 S C -2.111 172.611 174.600 0.204 0.000 1.168 818 S CA -0.276 58.032 58.200 0.181 0.000 0.963 818 S CB 0.864 64.168 63.200 0.174 0.000 1.078 818 S HN 1.217 nan 8.310 nan 0.000 0.477 819 Y N 3.561 123.887 120.300 0.043 0.000 2.386 819 Y HA 0.496 5.046 4.550 0.000 0.000 0.334 819 Y C -0.627 175.290 175.900 0.029 0.000 1.002 819 Y CA -0.632 57.479 58.100 0.019 0.000 1.068 819 Y CB 1.387 39.833 38.460 -0.024 0.000 1.203 819 Y HN 0.587 nan 8.280 nan 0.000 0.443 820 K N 6.746 126.835 120.400 -0.517 0.000 2.219 820 K HA 0.092 4.412 4.320 0.000 0.000 0.280 820 K C 0.549 176.883 176.600 -0.444 0.000 1.104 820 K CA -0.196 55.883 56.287 -0.347 0.000 0.925 820 K CB 0.967 33.318 32.500 -0.249 0.000 1.261 820 K HN 0.745 nan 8.250 nan 0.000 0.445 821 L N 2.666 123.844 121.223 -0.075 0.000 2.042 821 L HA -0.194 4.146 4.340 0.000 0.000 0.210 821 L C 1.281 178.170 176.870 0.030 0.000 1.076 821 L CA 1.875 56.777 54.840 0.103 0.000 0.749 821 L CB -0.225 41.935 42.059 0.168 0.000 0.893 821 L HN 0.772 nan 8.230 nan 0.000 0.432 822 T N -7.156 107.403 114.554 0.010 0.000 2.626 822 T HA 0.245 4.595 4.350 0.000 0.000 0.279 822 T C 0.481 175.170 174.700 -0.019 0.000 0.983 822 T CA -0.269 61.839 62.100 0.012 0.000 1.059 822 T CB 0.478 69.385 68.868 0.064 0.000 1.396 822 T HN -0.095 nan 8.240 nan 0.000 0.519 823 D N 0.226 120.621 120.400 -0.009 0.000 2.312 823 D HA 0.124 4.764 4.640 0.000 0.000 0.211 823 D C 1.678 177.951 176.300 -0.045 0.000 0.964 823 D CA 0.904 54.887 54.000 -0.029 0.000 0.877 823 D CB 0.023 40.812 40.800 -0.019 0.000 0.924 823 D HN 0.451 nan 8.370 nan 0.000 0.515 824 S N -0.632 115.045 115.700 -0.038 0.000 2.613 824 S HA 0.129 4.599 4.470 0.000 0.000 0.235 824 S C 0.580 175.163 174.600 -0.028 0.000 1.073 824 S CA -0.486 57.628 58.200 -0.143 0.000 0.899 824 S CB 1.214 64.207 63.200 -0.345 0.000 0.818 824 S HN 0.100 nan 8.310 nan 0.000 0.484 825 L N 4.015 125.308 121.223 0.115 0.000 2.283 825 L HA 0.449 4.789 4.340 0.000 0.000 0.287 825 L C -1.081 175.854 176.870 0.110 0.000 1.073 825 L CA 0.807 55.763 54.840 0.193 0.000 0.822 825 L CB 0.266 42.451 42.059 0.210 0.000 1.186 825 L HN 0.090 nan 8.230 nan 0.000 0.436 826 T N 6.644 121.270 114.554 0.120 0.000 2.864 826 T HA 0.452 4.802 4.350 0.000 0.000 0.299 826 T C -0.158 174.621 174.700 0.132 0.000 1.011 826 T CA -0.434 61.722 62.100 0.094 0.000 0.975 826 T CB 1.158 70.064 68.868 0.063 0.000 0.962 826 T HN 0.534 nan 8.240 nan 0.000 0.448 827 L N 2.202 123.509 121.223 0.140 0.000 2.329 827 L HA 0.926 5.266 4.340 0.000 0.000 0.279 827 L C -0.208 176.748 176.870 0.144 0.000 1.014 827 L CA -1.169 53.755 54.840 0.140 0.000 0.814 827 L CB 1.379 43.513 42.059 0.125 0.000 1.257 827 L HN 0.594 nan 8.230 nan 0.000 0.424 828 R N 1.713 122.295 120.500 0.136 0.000 2.808 828 R HA 0.970 5.310 4.340 0.000 0.000 0.272 828 R C -0.663 175.709 176.300 0.120 0.000 0.995 828 R CA -0.791 55.391 56.100 0.137 0.000 0.917 828 R CB 1.914 32.302 30.300 0.146 0.000 1.217 828 R HN 0.822 nan 8.270 nan 0.000 0.471 829 G N -0.268 108.604 108.800 0.120 0.000 2.733 829 G HA2 0.686 4.646 3.960 0.000 0.000 0.288 829 G HA3 0.686 4.646 3.960 0.000 0.000 0.288 829 G C -1.290 173.686 174.900 0.127 0.000 1.373 829 G CA -0.587 44.575 45.100 0.103 0.000 0.895 829 G HN 0.888 nan 8.290 nan 0.000 0.479 830 S N -2.325 113.441 115.700 0.110 0.000 2.627 830 S HA 0.652 5.122 4.470 0.000 0.000 0.268 830 S C -1.845 172.814 174.600 0.099 0.000 1.130 830 S CA -0.716 57.562 58.200 0.130 0.000 0.819 830 S CB 1.701 64.987 63.200 0.143 0.000 1.100 830 S HN 1.217 nan 8.310 nan 0.000 0.465 831 V N 2.073 122.052 119.914 0.108 0.000 2.524 831 V HA 0.417 4.537 4.120 0.000 0.000 0.297 831 V C 0.846 176.997 176.094 0.095 0.000 1.035 831 V CA -0.590 61.763 62.300 0.090 0.000 0.867 831 V CB 1.470 33.341 31.823 0.081 0.000 1.004 831 V HN 0.978 nan 8.190 nan 0.000 0.426 832 E N 2.974 123.220 120.200 0.077 0.000 1.995 832 E HA -0.169 4.181 4.350 0.000 0.000 0.207 832 E C 0.814 177.463 176.600 0.081 0.000 1.016 832 E CA 1.371 57.811 56.400 0.066 0.000 0.865 832 E CB 0.128 29.855 29.700 0.045 0.000 0.797 832 E HN 0.717 nan 8.360 nan 0.000 0.491 833 N N 1.307 120.062 118.700 0.091 0.000 2.816 833 N HA 0.022 4.762 4.740 0.000 0.000 0.236 833 N C 1.037 176.621 175.510 0.124 0.000 1.076 833 N CA -0.340 52.774 53.050 0.107 0.000 0.902 833 N CB 0.475 39.033 38.487 0.119 0.000 1.149 833 N HN 0.070 nan 8.380 nan 0.000 0.506 834 L N 2.745 124.056 121.223 0.147 0.000 2.013 834 L HA -0.146 4.194 4.340 0.000 0.000 0.212 834 L C 2.069 179.003 176.870 0.106 0.000 1.073 834 L CA 2.163 57.075 54.840 0.119 0.000 0.753 834 L CB -1.130 41.002 42.059 0.121 0.000 0.890 834 L HN 0.609 nan 8.230 nan 0.000 0.432 835 T N -2.935 111.716 114.554 0.161 0.000 3.148 835 T HA -0.053 4.297 4.350 0.000 0.000 0.253 835 T C 1.013 175.788 174.700 0.126 0.000 1.134 835 T CA 0.393 62.576 62.100 0.138 0.000 1.051 835 T CB -0.565 68.436 68.868 0.223 0.000 0.959 835 T HN 0.425 nan 8.240 nan 0.000 0.525 836 N N 1.509 120.286 118.700 0.129 0.000 2.696 836 N HA -0.203 4.537 4.740 0.000 0.000 0.256 836 N C -0.315 175.284 175.510 0.149 0.000 1.031 836 N CA 0.400 53.527 53.050 0.129 0.000 0.730 836 N CB -1.281 37.264 38.487 0.096 0.000 0.894 836 N HN 0.807 nan 8.380 nan 0.000 0.544 837 R N 0.438 121.042 120.500 0.173 0.000 2.407 837 R HA 0.709 5.049 4.340 0.000 0.000 0.303 837 R C -0.276 176.184 176.300 0.268 0.000 0.981 837 R CA -0.160 56.056 56.100 0.194 0.000 0.905 837 R CB 0.858 31.267 30.300 0.182 0.000 1.099 837 R HN 0.294 nan 8.270 nan 0.000 0.459 838 A N 4.264 127.230 122.820 0.243 0.000 2.409 838 A HA 0.384 4.704 4.320 0.000 0.000 0.267 838 A C -1.169 176.600 177.584 0.308 0.000 1.127 838 A CA -0.118 52.068 52.037 0.248 0.000 0.795 838 A CB -0.029 19.078 19.000 0.178 0.000 1.061 838 A HN 0.776 nan 8.150 nan 0.000 0.502 839 Y N -0.524 119.803 120.300 0.044 0.000 2.689 839 Y HA 0.649 5.199 4.550 0.000 0.000 0.333 839 Y C -1.458 174.415 175.900 -0.045 0.000 1.208 839 Y CA -1.689 56.397 58.100 -0.023 0.000 1.055 839 Y CB 0.823 39.144 38.460 -0.233 0.000 1.304 839 Y HN 0.430 nan 8.280 nan 0.000 0.455 840 V N 3.149 122.965 119.914 -0.163 0.000 2.482 840 V HA 0.464 4.584 4.120 0.000 0.000 0.295 840 V C -0.115 175.980 176.094 0.001 0.000 1.026 840 V CA -0.847 61.337 62.300 -0.194 0.000 0.856 840 V CB 1.145 33.017 31.823 0.082 0.000 1.001 840 V HN 1.035 nan 8.190 nan 0.000 0.424 841 V N 2.279 122.124 119.914 -0.117 0.000 2.726 841 V HA 0.097 4.217 4.120 0.000 0.000 0.304 841 V C 0.925 177.112 176.094 0.155 0.000 1.115 841 V CA 0.372 62.731 62.300 0.098 0.000 1.264 841 V CB 0.340 32.196 31.823 0.054 0.000 0.867 841 V HN 0.913 nan 8.190 nan 0.000 0.498 842 S N 3.838 119.698 115.700 0.266 0.000 2.558 842 S HA 0.132 4.602 4.470 0.000 0.000 0.291 842 S C 0.292 174.659 174.600 -0.390 0.000 1.306 842 S CA 0.779 58.952 58.200 -0.045 0.000 1.056 842 S CB -0.848 62.419 63.200 0.113 0.000 0.836 842 S HN 1.592 nan 8.310 nan 0.000 0.504 843 Y N 0.748 120.054 120.300 -1.657 0.000 4.753 843 Y HA -0.276 4.274 4.550 0.000 0.000 0.232 843 Y C 0.640 176.324 175.900 -0.360 0.000 1.029 843 Y CA 0.712 58.038 58.100 -1.290 0.000 1.996 843 Y CB -1.437 36.598 38.460 -0.708 0.000 1.602 843 Y HN 0.843 nan 8.280 nan 0.000 0.621 844 G N 1.962 110.665 108.800 -0.161 0.000 2.406 844 G HA2 0.163 4.123 3.960 0.000 0.000 0.251 844 G HA3 0.163 4.123 3.960 0.000 0.000 0.251 844 G C -0.351 174.661 174.900 0.187 0.000 1.271 844 G CA 0.090 45.220 45.100 0.050 0.000 0.859 844 G HN 0.568 nan 8.290 nan 0.000 0.540 845 E N 1.319 121.533 120.200 0.023 0.000 2.924 845 E HA -0.120 4.230 4.350 0.000 0.000 0.236 845 E C 1.682 178.296 176.600 0.023 0.000 1.028 845 E CA 0.645 57.046 56.400 0.002 0.000 0.952 845 E CB 0.234 29.904 29.700 -0.050 0.000 0.918 845 E HN 0.570 nan 8.360 nan 0.000 0.536 846 T N 2.248 116.803 114.554 0.002 0.000 2.995 846 T HA -0.162 4.188 4.350 0.000 0.000 0.269 846 T C 1.631 176.244 174.700 -0.145 0.000 1.091 846 T CA 0.345 62.387 62.100 -0.097 0.000 1.128 846 T CB 0.035 68.746 68.868 -0.262 0.000 0.891 846 T HN 0.427 nan 8.240 nan 0.000 0.492 847 L N 1.450 122.536 121.223 -0.230 0.000 2.079 847 L HA 0.237 4.577 4.340 0.000 0.000 0.210 847 L C 2.756 179.575 176.870 -0.085 0.000 1.081 847 L CA 1.699 56.388 54.840 -0.253 0.000 0.752 847 L CB -1.118 40.696 42.059 -0.409 0.000 0.896 847 L HN 0.448 nan 8.230 nan 0.000 0.433 848 A N -1.608 121.209 122.820 -0.005 0.000 1.956 848 A HA 0.034 4.354 4.320 0.000 0.000 0.212 848 A C 1.071 178.828 177.584 0.288 0.000 1.188 848 A CA 0.624 52.758 52.037 0.161 0.000 0.675 848 A CB -0.331 18.695 19.000 0.044 0.000 0.845 848 A HN 0.539 nan 8.150 nan 0.000 0.455 849 N N 0.603 119.380 118.700 0.128 0.000 2.671 849 N HA -0.137 4.603 4.740 0.000 0.000 0.261 849 N C -0.172 175.473 175.510 0.225 0.000 1.053 849 N CA 1.007 54.146 53.050 0.148 0.000 0.732 849 N CB -1.502 37.056 38.487 0.118 0.000 0.887 849 N HN 0.628 nan 8.380 nan 0.000 0.546 850 T N -0.586 113.985 114.554 0.029 0.000 2.727 850 T HA 0.541 4.891 4.350 0.000 0.000 0.298 850 T C 0.642 175.282 174.700 -0.100 0.000 0.942 850 T CA -1.024 60.998 62.100 -0.131 0.000 0.997 850 T CB 0.764 69.465 68.868 -0.278 0.000 0.917 850 T HN 0.195 nan 8.240 nan 0.000 0.487 851 L N 3.571 124.760 121.223 -0.057 0.000 2.483 851 L HA 0.460 4.800 4.340 0.000 0.000 0.275 851 L C 1.471 178.248 176.870 -0.156 0.000 1.220 851 L CA 0.610 55.374 54.840 -0.127 0.000 0.833 851 L CB -0.132 41.926 42.059 -0.002 0.000 1.102 851 L HN 0.954 nan 8.230 nan 0.000 0.490 852 G N 1.317 109.792 108.800 -0.542 0.000 2.621 852 G HA2 0.352 4.312 3.960 0.000 0.000 0.271 852 G HA3 0.352 4.312 3.960 0.000 0.000 0.271 852 G C -0.122 174.775 174.900 -0.004 0.000 1.236 852 G CA -0.730 44.106 45.100 -0.438 0.000 0.958 852 G HN 0.548 nan 8.290 nan 0.000 0.512 853 R N -0.897 119.545 120.500 -0.097 0.000 2.594 853 R HA 0.397 4.737 4.340 0.000 0.000 0.272 853 R C 1.075 177.472 176.300 0.162 0.000 1.074 853 R CA 0.386 56.437 56.100 -0.082 0.000 1.105 853 R CB 0.819 30.939 30.300 -0.300 0.000 1.008 853 R HN 0.581 nan 8.270 nan 0.000 0.472 854 G N 0.896 109.829 108.800 0.221 0.000 2.494 854 G HA2 0.053 4.013 3.960 0.000 0.000 0.270 854 G HA3 0.053 4.013 3.960 0.000 0.000 0.270 854 G C -0.651 174.339 174.900 0.150 0.000 1.423 854 G CA -0.667 44.557 45.100 0.206 0.000 1.055 854 G HN 0.548 nan 8.290 nan 0.000 0.536 855 R N 0.052 120.628 120.500 0.127 0.000 2.561 855 R HA 0.088 4.428 4.340 0.000 0.000 0.347 855 R C -0.814 175.542 176.300 0.094 0.000 0.916 855 R CA 0.546 56.704 56.100 0.098 0.000 1.063 855 R CB -0.698 29.647 30.300 0.075 0.000 0.916 855 R HN 0.276 nan 8.270 nan 0.000 0.410 856 T N 4.704 119.307 114.554 0.083 0.000 2.833 856 T HA 0.238 4.588 4.350 0.000 0.000 0.297 856 T C -0.387 174.351 174.700 0.064 0.000 1.015 856 T CA -0.632 61.512 62.100 0.073 0.000 0.963 856 T CB 1.479 70.380 68.868 0.054 0.000 0.955 856 T HN 0.255 nan 8.240 nan 0.000 0.449 857 V N 4.893 124.845 119.914 0.062 0.000 2.607 857 V HA 0.599 4.719 4.120 0.000 0.000 0.289 857 V C 0.009 176.138 176.094 0.057 0.000 1.053 857 V CA -0.546 61.789 62.300 0.058 0.000 0.996 857 V CB 0.998 32.852 31.823 0.052 0.000 0.995 857 V HN 0.983 nan 8.190 nan 0.000 0.476 858 Q N 2.643 122.479 119.800 0.060 0.000 2.403 858 Q HA 0.715 5.055 4.340 0.000 0.000 0.267 858 Q C -0.709 175.331 176.000 0.067 0.000 0.991 858 Q CA -0.790 55.048 55.803 0.059 0.000 0.906 858 Q CB 2.031 30.800 28.738 0.051 0.000 1.422 858 Q HN 0.814 nan 8.270 nan 0.000 0.400 859 G N 0.048 108.886 108.800 0.064 0.000 2.798 859 G HA2 0.943 4.903 3.960 0.000 0.000 0.286 859 G HA3 0.943 4.903 3.960 0.000 0.000 0.286 859 G C -0.949 173.986 174.900 0.058 0.000 1.389 859 G CA -0.511 44.632 45.100 0.071 0.000 0.894 859 G HN 0.921 nan 8.290 nan 0.000 0.488 860 G N -2.236 106.602 108.800 0.063 0.000 2.550 860 G HA2 0.607 4.567 3.960 0.000 0.000 0.293 860 G HA3 0.607 4.567 3.960 0.000 0.000 0.293 860 G C -2.023 172.898 174.900 0.035 0.000 1.402 860 G CA -0.291 44.809 45.100 0.000 0.000 0.784 860 G HN 1.155 nan 8.290 nan 0.000 0.482 861 V N 0.175 120.076 119.914 -0.021 0.000 2.656 861 V HA 0.720 4.840 4.120 0.000 0.000 0.307 861 V C -0.430 175.741 176.094 0.129 0.000 1.051 861 V CA -0.696 61.646 62.300 0.070 0.000 0.893 861 V CB 1.763 33.624 31.823 0.063 0.000 0.999 861 V HN 0.897 nan 8.190 nan 0.000 0.426 862 E N 2.951 123.282 120.200 0.219 0.000 2.234 862 E HA 0.489 4.839 4.350 0.000 0.000 0.266 862 E C -2.219 174.549 176.600 0.280 0.000 0.877 862 E CA -0.677 55.890 56.400 0.278 0.000 0.758 862 E CB 2.196 32.060 29.700 0.274 0.000 1.170 862 E HN 0.680 nan 8.360 nan 0.000 0.415 863 Y N 4.658 125.060 120.300 0.170 0.000 2.363 863 Y HA 0.413 4.963 4.550 0.000 0.000 0.325 863 Y C -0.903 175.161 175.900 0.275 0.000 0.984 863 Y CA -0.674 57.538 58.100 0.187 0.000 1.248 863 Y CB 0.805 39.360 38.460 0.160 0.000 1.116 863 Y HN 0.487 nan 8.280 nan 0.000 0.470 864 R N 5.375 125.764 120.500 -0.185 0.000 2.500 864 R HA 0.657 4.997 4.340 0.000 0.000 0.277 864 R C -1.300 174.873 176.300 -0.211 0.000 1.026 864 R CA -0.498 55.521 56.100 -0.134 0.000 1.058 864 R CB 1.261 31.520 30.300 -0.069 0.000 1.078 864 R HN 0.661 nan 8.270 nan 0.000 0.509 865 F N 0.000 119.836 119.950 -0.190 0.000 2.286 865 F HA 0.000 4.527 4.527 0.000 0.000 0.279 865 F CA 0.000 57.916 58.000 -0.140 0.000 1.383 865 F CB 0.000 38.939 39.000 -0.101 0.000 1.145 865 F HN 0.000 nan 8.300 nan 0.000 0.574