REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ddr_1_B DATA FIRST_RESID 113 DATA SEQUENCE NDWVYDEPRS VSVISREQMD NRPARHAADI LEQTTGAYSS VSQQDPALSV DATA SEQUENCE NIRGIQDYGR VNMNIDGMRQ NFQKSGHGQR NGTMYIDSEL LSGVTIDKGT DATA SEQUENCE TGGMGSAGTL GGIATFNTVS ASDFLAPGKE LGGKLHASTG DNGTHFIGSG DATA SEQUENCE ILALGNETGD ILLAASERHL GDYWPGNKGD IGNIRINNDT GNYDRYAESI DATA SEQUENCE KNNKIPDTHY RMHSRLAKVG WNLPANQRLQ LSYLQTQTAS PIAGTLTNLG DATA SEQUENCE TRPPYELGWK RTGYTDVMAR NAAFDYSLAP EDVDWLDFQA KLYYVDTQDD DATA SEQUENCE SDTYSTSSLL DNGYATRTRL RTYGAQAQNT SRFSLAPGHD FRANYGLEFY DATA SEQUENCE YDKATSDSSR QGMEGVTPAG NRSVASLFAN LTYDYDGWLT LEGGLRYDRY DATA SEQUENCE RLRGQTGLSY PDLAKDGQRY TIDNPcKALR LTGcSTTTRE DWDVDRDQGK DATA SEQUENCE LSPTLAVAVR PGVEWLELYT TYGKSWRPPA ITETLTNGSA HSSSTQYPNP DATA SEQUENCE FLQPERSRAW EVGFNVQQPD LWFEGDRLVA KVAYFDTKVD NYINLAIDRN DATA SEQUENCE KPGLVQPSGG NAAYVNNLSK TRFRGLEYQL NYDAGVFYAD LTYTHMIGKN DATA SEQUENCE EFcSNKAWLG GRLRYGDGSR RGNFYVEPDA ASNDFVTcDG GTQFGSAAYL DATA SEQUENCE PGDRGSVTLG GRAFDRKLDA GVTVRFAPGY QDSSVPSNYP YLADWPKYTL DATA SEQUENCE FDLYASYKLT DSLTLRGSVE NLTNRAYVVS YGETLANTLG RGRTVQGGVE DATA SEQUENCE YRF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 113 N HA 0.000 nan 4.740 nan 0.000 0.220 113 N C 0.000 175.580 175.510 0.117 0.000 1.280 113 N CA 0.000 53.113 53.050 0.105 0.000 0.885 113 N CB 0.000 38.514 38.487 0.045 0.000 1.341 114 D N 1.169 121.628 120.400 0.098 0.000 2.938 114 D HA 0.215 4.855 4.640 0.000 0.000 0.369 114 D C 1.067 177.368 176.300 0.002 0.000 1.301 114 D CA -0.633 53.377 54.000 0.016 0.000 0.805 114 D CB -1.129 39.747 40.800 0.127 0.000 1.161 114 D HN 0.623 nan 8.370 nan 0.000 0.474 115 W N -0.251 121.048 121.300 -0.001 0.000 2.468 115 W HA -0.096 4.564 4.660 0.000 0.000 0.262 115 W C 0.953 177.438 176.519 -0.057 0.000 1.241 115 W CA -0.069 57.260 57.345 -0.027 0.000 1.232 115 W CB -1.071 28.352 29.460 -0.061 0.000 1.124 115 W HN 0.142 nan 8.180 nan 0.000 0.597 116 V N 1.835 121.157 119.914 -0.986 0.000 2.469 116 V HA -0.317 3.803 4.120 0.000 0.000 0.251 116 V C 1.858 177.575 176.094 -0.629 0.000 1.064 116 V CA 1.767 63.382 62.300 -1.141 0.000 1.066 116 V CB -0.753 30.255 31.823 -1.358 0.000 0.667 116 V HN 0.147 nan 8.190 nan 0.000 0.461 117 Y N -0.669 119.450 120.300 -0.301 0.000 2.578 117 Y HA 0.062 4.612 4.550 0.000 0.000 0.297 117 Y C 1.800 177.630 175.900 -0.117 0.000 1.176 117 Y CA 1.003 58.992 58.100 -0.185 0.000 1.315 117 Y CB -0.096 38.275 38.460 -0.149 0.000 1.031 117 Y HN 0.347 nan 8.280 nan 0.000 0.524 118 D N -0.347 120.058 120.400 0.009 0.000 2.431 118 D HA 0.042 4.682 4.640 0.000 0.000 0.213 118 D C -0.396 175.894 176.300 -0.017 0.000 1.130 118 D CA 0.184 54.202 54.000 0.029 0.000 0.834 118 D CB 0.313 41.156 40.800 0.072 0.000 0.985 118 D HN 0.056 nan 8.370 nan 0.000 0.504 119 E N 0.193 120.333 120.200 -0.100 0.000 2.171 119 E HA 0.369 4.719 4.350 0.000 0.000 0.271 119 E C -2.423 173.976 176.600 -0.335 0.000 0.916 119 E CA -2.630 53.684 56.400 -0.144 0.000 0.774 119 E CB 1.842 31.482 29.700 -0.100 0.000 1.128 119 E HN -0.117 nan 8.360 nan 0.000 0.403 120 P HA 0.137 nan 4.420 nan 0.000 0.230 120 P C -1.264 175.533 177.300 -0.839 0.000 1.791 120 P CA 0.051 62.764 63.100 -0.645 0.000 1.020 120 P CB -0.429 31.150 31.700 -0.203 0.000 1.977 121 R N -2.230 117.626 120.500 -1.073 0.000 3.429 121 R HA 0.254 4.594 4.340 0.000 0.000 0.277 121 R C -1.595 174.518 176.300 -0.312 0.000 0.978 121 R CA -0.741 55.083 56.100 -0.460 0.000 0.891 121 R CB -0.577 29.583 30.300 -0.234 0.000 1.299 121 R HN -0.233 nan 8.270 nan 0.000 0.541 122 S N 1.111 116.732 115.700 -0.132 0.000 2.494 122 S HA 0.355 4.825 4.470 0.000 0.000 0.312 122 S C -0.419 174.043 174.600 -0.231 0.000 1.121 122 S CA -0.342 57.761 58.200 -0.160 0.000 1.068 122 S CB 0.320 63.452 63.200 -0.114 0.000 1.141 122 S HN 0.395 nan 8.310 nan 0.000 0.527 123 V N 3.261 122.991 119.914 -0.307 0.000 3.102 123 V HA 0.970 5.090 4.120 0.000 0.000 0.312 123 V C -0.628 175.200 176.094 -0.443 0.000 1.135 123 V CA -0.337 61.762 62.300 -0.335 0.000 1.022 123 V CB 2.541 34.184 31.823 -0.300 0.000 1.056 123 V HN 0.639 nan 8.190 nan 0.000 0.436 124 S N 1.801 117.254 115.700 -0.412 0.000 2.567 124 S HA 0.736 5.206 4.470 0.000 0.000 0.270 124 S C -1.489 172.911 174.600 -0.333 0.000 1.152 124 S CA 0.121 58.076 58.200 -0.409 0.000 0.835 124 S CB 1.567 64.581 63.200 -0.309 0.000 1.115 124 S HN 2.202 nan 8.310 nan 0.000 0.459 125 V N 2.109 121.845 119.914 -0.297 0.000 2.876 125 V HA 0.709 4.829 4.120 0.000 0.000 0.312 125 V C -1.018 174.979 176.094 -0.163 0.000 1.085 125 V CA -0.954 61.226 62.300 -0.199 0.000 0.945 125 V CB 1.800 33.550 31.823 -0.122 0.000 1.017 125 V HN 0.839 nan 8.190 nan 0.000 0.428 126 I N 4.699 125.176 120.570 -0.155 0.000 2.308 126 I HA 0.293 4.463 4.170 0.000 0.000 0.293 126 I C 1.019 177.075 176.117 -0.100 0.000 1.078 126 I CA 0.256 61.480 61.300 -0.127 0.000 1.292 126 I CB 0.801 38.719 38.000 -0.138 0.000 1.423 126 I HN 0.980 nan 8.210 nan 0.000 0.493 127 S N 5.842 121.492 115.700 -0.084 0.000 2.573 127 S HA 0.052 4.522 4.470 0.000 0.000 0.277 127 S C 1.230 175.783 174.600 -0.080 0.000 1.346 127 S CA -0.272 57.883 58.200 -0.075 0.000 1.034 127 S CB 1.391 64.549 63.200 -0.070 0.000 0.879 127 S HN 0.700 nan 8.310 nan 0.000 0.528 128 R N 1.719 122.170 120.500 -0.081 0.000 2.120 128 R HA -0.081 4.259 4.340 0.000 0.000 0.234 128 R C 2.017 178.259 176.300 -0.097 0.000 1.123 128 R CA 2.202 58.250 56.100 -0.086 0.000 0.975 128 R CB -0.561 29.683 30.300 -0.092 0.000 0.866 128 R HN 0.917 nan 8.270 nan 0.000 0.446 129 E N -0.223 119.916 120.200 -0.102 0.000 2.106 129 E HA -0.257 4.093 4.350 0.000 0.000 0.192 129 E C 1.911 178.430 176.600 -0.135 0.000 0.984 129 E CA 1.227 57.556 56.400 -0.118 0.000 0.806 129 E CB -0.168 29.461 29.700 -0.118 0.000 0.750 129 E HN 0.507 nan 8.360 nan 0.000 0.458 130 Q N 0.788 120.520 119.800 -0.112 0.000 2.084 130 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 130 Q C 2.091 178.036 176.000 -0.091 0.000 0.978 130 Q CA 1.401 57.141 55.803 -0.106 0.000 0.844 130 Q CB -0.007 28.689 28.738 -0.071 0.000 0.898 130 Q HN 0.286 nan 8.270 nan 0.000 0.426 131 M N 0.240 119.793 119.600 -0.078 0.000 2.549 131 M HA -0.100 4.380 4.480 0.000 0.000 0.260 131 M C 0.567 176.823 176.300 -0.074 0.000 1.076 131 M CA 0.644 55.907 55.300 -0.062 0.000 1.090 131 M CB 0.153 32.721 32.600 -0.054 0.000 1.418 131 M HN 0.112 nan 8.290 nan 0.000 0.486 132 D N 0.095 120.436 120.400 -0.098 0.000 2.262 132 D HA -0.008 4.632 4.640 0.000 0.000 0.212 132 D C 1.661 177.916 176.300 -0.075 0.000 0.964 132 D CA 0.790 54.729 54.000 -0.102 0.000 0.875 132 D CB -0.084 40.647 40.800 -0.116 0.000 0.996 132 D HN 0.259 nan 8.370 nan 0.000 0.497 133 N N 0.426 119.049 118.700 -0.128 0.000 2.290 133 N HA -0.032 4.708 4.740 0.000 0.000 0.179 133 N C 0.647 176.157 175.510 0.001 0.000 1.016 133 N CA 0.402 53.368 53.050 -0.141 0.000 0.871 133 N CB 0.359 38.501 38.487 -0.575 0.000 0.987 133 N HN 0.040 nan 8.380 nan 0.000 0.431 134 R N 1.314 121.807 120.500 -0.010 0.000 2.664 134 R HA 0.287 4.627 4.340 0.000 0.000 0.281 134 R C -2.603 173.711 176.300 0.023 0.000 1.383 134 R CA -1.630 54.495 56.100 0.042 0.000 1.563 134 R CB 0.756 31.084 30.300 0.048 0.000 1.131 134 R HN -0.047 nan 8.270 nan 0.000 0.599 135 P HA 0.011 nan 4.420 nan 0.000 0.265 135 P C -0.617 176.698 177.300 0.024 0.000 1.193 135 P CA 0.091 63.205 63.100 0.023 0.000 0.765 135 P CB 1.119 32.846 31.700 0.044 0.000 0.823 136 A N 3.605 126.437 122.820 0.019 0.000 2.259 136 A HA 0.444 4.765 4.320 0.000 0.000 0.278 136 A C 1.199 178.802 177.584 0.032 0.000 1.107 136 A CA -0.129 51.926 52.037 0.031 0.000 0.828 136 A CB 0.337 19.361 19.000 0.039 0.000 1.111 136 A HN 0.715 nan 8.150 nan 0.000 0.498 137 R N -1.165 119.369 120.500 0.057 0.000 2.507 137 R HA 0.197 4.537 4.340 0.000 0.000 0.230 137 R C 0.160 176.590 176.300 0.216 0.000 0.897 137 R CA 0.073 56.218 56.100 0.076 0.000 1.006 137 R CB 0.179 30.492 30.300 0.021 0.000 1.341 137 R HN 0.695 nan 8.270 nan 0.000 0.604 138 H N 0.061 119.176 119.070 0.074 0.000 2.538 138 H HA 0.461 5.017 4.556 0.000 0.000 0.353 138 H C 0.400 175.731 175.328 0.005 0.000 1.109 138 H CA 0.154 56.231 56.048 0.049 0.000 1.192 138 H CB 2.470 32.218 29.762 -0.023 0.000 1.555 138 H HN 0.126 nan 8.280 nan 0.000 0.518 139 A N 4.502 127.200 122.820 -0.205 0.000 1.896 139 A HA -0.307 4.014 4.320 0.000 0.000 0.220 139 A C 2.365 180.028 177.584 0.131 0.000 1.206 139 A CA 2.669 54.672 52.037 -0.058 0.000 0.647 139 A CB -1.197 17.675 19.000 -0.212 0.000 0.828 139 A HN 0.826 nan 8.150 nan 0.000 0.455 140 A N -0.211 122.823 122.820 0.356 0.000 2.032 140 A HA -0.233 4.088 4.320 0.000 0.000 0.221 140 A C 1.572 179.213 177.584 0.096 0.000 1.165 140 A CA 2.054 54.205 52.037 0.190 0.000 0.645 140 A CB -0.731 18.327 19.000 0.097 0.000 0.807 140 A HN 0.571 nan 8.150 nan 0.000 0.453 141 D N 0.325 120.793 120.400 0.114 0.000 2.178 141 D HA -0.175 4.466 4.640 0.000 0.000 0.201 141 D C 1.808 178.125 176.300 0.028 0.000 0.980 141 D CA 1.392 55.426 54.000 0.056 0.000 0.842 141 D CB -0.608 40.229 40.800 0.063 0.000 0.948 141 D HN 0.793 nan 8.370 nan 0.000 0.472 142 I N -1.673 118.917 120.570 0.033 0.000 2.850 142 I HA -0.153 4.017 4.170 0.000 0.000 0.266 142 I C 1.150 177.248 176.117 -0.032 0.000 1.257 142 I CA 0.830 62.133 61.300 0.005 0.000 1.465 142 I CB -0.037 37.976 38.000 0.021 0.000 1.091 142 I HN -0.139 nan 8.210 nan 0.000 0.467 143 L N 1.186 122.388 121.223 -0.036 0.000 2.558 143 L HA 0.115 4.455 4.340 0.000 0.000 0.225 143 L C 2.205 178.990 176.870 -0.141 0.000 1.128 143 L CA 1.124 55.909 54.840 -0.092 0.000 0.868 143 L CB -0.906 41.104 42.059 -0.081 0.000 1.006 143 L HN 0.286 nan 8.230 nan 0.000 0.454 144 E N -0.637 119.503 120.200 -0.100 0.000 2.338 144 E HA -0.147 4.203 4.350 0.000 0.000 0.197 144 E C 0.916 177.431 176.600 -0.142 0.000 1.007 144 E CA 0.540 56.870 56.400 -0.118 0.000 0.849 144 E CB 0.128 29.800 29.700 -0.046 0.000 0.774 144 E HN 0.579 nan 8.360 nan 0.000 0.506 145 Q N 0.189 119.919 119.800 -0.116 0.000 2.186 145 Q HA 0.091 4.431 4.340 0.000 0.000 0.241 145 Q C -0.765 175.160 176.000 -0.124 0.000 0.849 145 Q CA 0.045 55.789 55.803 -0.099 0.000 1.053 145 Q CB 1.241 29.953 28.738 -0.044 0.000 1.146 145 Q HN 0.003 nan 8.270 nan 0.000 0.475 146 T N 0.011 114.455 114.554 -0.183 0.000 2.840 146 T HA 0.262 4.612 4.350 0.000 0.000 0.287 146 T C 0.175 174.723 174.700 -0.253 0.000 0.991 146 T CA -0.859 61.121 62.100 -0.199 0.000 0.964 146 T CB 1.440 70.186 68.868 -0.203 0.000 0.954 146 T HN 0.160 nan 8.240 nan 0.000 0.438 147 T N 0.182 114.614 114.554 -0.205 0.000 2.928 147 T HA 0.456 4.806 4.350 0.000 0.000 0.305 147 T C 1.593 176.155 174.700 -0.229 0.000 1.035 147 T CA 0.323 62.303 62.100 -0.201 0.000 1.145 147 T CB 0.430 69.234 68.868 -0.106 0.000 0.963 147 T HN 1.579 nan 8.240 nan 0.000 0.545 148 G N 1.687 110.352 108.800 -0.225 0.000 2.225 148 G HA2 -0.014 3.946 3.960 0.000 0.000 0.254 148 G HA3 -0.014 3.946 3.960 0.000 0.000 0.254 148 G C 0.251 175.038 174.900 -0.188 0.000 0.988 148 G CA -0.092 44.903 45.100 -0.175 0.000 0.625 148 G HN 1.580 nan 8.290 nan 0.000 0.527 149 A N -0.279 122.319 122.820 -0.369 0.000 2.290 149 A HA 0.878 5.198 4.320 0.000 0.000 0.310 149 A C -0.554 176.689 177.584 -0.569 0.000 1.202 149 A CA -0.210 51.628 52.037 -0.330 0.000 0.837 149 A CB 0.809 19.642 19.000 -0.277 0.000 1.139 149 A HN 0.856 nan 8.150 nan 0.000 0.509 150 Y N -0.133 120.066 120.300 -0.168 0.000 2.670 150 Y HA 0.636 5.186 4.550 0.000 0.000 0.334 150 Y C 0.192 176.058 175.900 -0.056 0.000 1.185 150 Y CA -0.468 57.544 58.100 -0.147 0.000 1.053 150 Y CB 2.227 40.506 38.460 -0.301 0.000 1.298 150 Y HN 0.660 nan 8.280 nan 0.000 0.459 151 S N 0.144 115.972 115.700 0.214 0.000 2.619 151 S HA 0.370 4.840 4.470 0.000 0.000 0.280 151 S C -1.059 173.675 174.600 0.223 0.000 1.150 151 S CA -0.592 57.708 58.200 0.166 0.000 0.978 151 S CB 0.972 64.209 63.200 0.062 0.000 1.041 151 S HN 0.550 nan 8.310 nan 0.000 0.485 152 S N 3.436 119.271 115.700 0.225 0.000 4.051 152 S HA 0.157 4.627 4.470 0.000 0.000 0.215 152 S C -0.008 174.596 174.600 0.007 0.000 1.289 152 S CA -0.070 58.175 58.200 0.076 0.000 0.907 152 S CB -0.706 62.527 63.200 0.056 0.000 1.603 152 S HN 0.613 nan 8.310 nan 0.000 0.453 153 V N 3.003 122.903 119.914 -0.024 0.000 2.539 153 V HA 0.712 4.832 4.120 0.000 0.000 0.292 153 V C -0.094 175.918 176.094 -0.137 0.000 1.045 153 V CA -0.377 61.854 62.300 -0.116 0.000 0.945 153 V CB 2.069 33.768 31.823 -0.205 0.000 0.993 153 V HN 0.477 nan 8.190 nan 0.000 0.464 154 S N 4.690 120.286 115.700 -0.173 0.000 2.605 154 S HA 0.374 4.844 4.470 0.000 0.000 0.308 154 S C 0.383 174.853 174.600 -0.217 0.000 1.113 154 S CA -0.674 57.426 58.200 -0.165 0.000 1.049 154 S CB 1.843 64.973 63.200 -0.117 0.000 1.001 154 S HN 0.807 nan 8.310 nan 0.000 0.480 155 Q N 2.971 122.645 119.800 -0.210 0.000 2.561 155 Q HA -0.060 4.280 4.340 0.000 0.000 0.217 155 Q C 1.101 177.049 176.000 -0.087 0.000 0.980 155 Q CA 1.242 56.962 55.803 -0.137 0.000 0.927 155 Q CB -0.053 28.683 28.738 -0.005 0.000 0.980 155 Q HN 0.800 nan 8.270 nan 0.000 0.525 156 Q N -0.576 119.125 119.800 -0.166 0.000 2.384 156 Q HA 0.045 4.385 4.340 0.000 0.000 0.207 156 Q C -0.082 175.826 176.000 -0.153 0.000 0.904 156 Q CA 0.047 55.739 55.803 -0.185 0.000 0.933 156 Q CB 0.711 29.285 28.738 -0.273 0.000 1.077 156 Q HN 0.060 nan 8.270 nan 0.000 0.522 157 D N 0.637 120.968 120.400 -0.114 0.000 2.414 157 D HA 0.165 4.805 4.640 0.000 0.000 0.232 157 D C -2.098 174.166 176.300 -0.060 0.000 1.070 157 D CA -2.367 51.575 54.000 -0.096 0.000 0.839 157 D CB 1.767 42.531 40.800 -0.060 0.000 1.079 157 D HN -0.184 nan 8.370 nan 0.000 0.521 158 P HA 0.061 nan 4.420 nan 0.000 0.234 158 P C -0.027 176.967 177.300 -0.510 0.000 1.167 158 P CA 0.238 62.967 63.100 -0.619 0.000 0.763 158 P CB 0.100 31.201 31.700 -0.998 0.000 0.835 159 A N 0.096 122.727 122.820 -0.314 0.000 2.492 159 A HA 0.245 4.565 4.320 0.000 0.000 0.236 159 A C -0.131 177.234 177.584 -0.364 0.000 1.078 159 A CA 0.183 51.833 52.037 -0.645 0.000 0.773 159 A CB -0.449 18.272 19.000 -0.466 0.000 1.023 159 A HN 0.179 nan 8.150 nan 0.000 0.504 160 L N 1.725 122.682 121.223 -0.444 0.000 2.349 160 L HA 0.603 4.943 4.340 0.000 0.000 0.278 160 L C 0.058 176.825 176.870 -0.172 0.000 0.996 160 L CA 0.145 54.857 54.840 -0.213 0.000 0.825 160 L CB 1.611 43.511 42.059 -0.265 0.000 1.243 160 L HN 0.662 nan 8.230 nan 0.000 0.412 161 S N 4.490 120.144 115.700 -0.076 0.000 2.454 161 S HA 0.756 5.226 4.470 0.000 0.000 0.306 161 S C -0.920 173.676 174.600 -0.006 0.000 1.100 161 S CA -0.561 57.606 58.200 -0.055 0.000 1.087 161 S CB 1.265 64.442 63.200 -0.039 0.000 1.019 161 S HN 0.448 nan 8.310 nan 0.000 0.480 162 V N 6.050 125.960 119.914 -0.005 0.000 2.370 162 V HA 0.436 4.556 4.120 0.000 0.000 0.279 162 V C 0.171 176.262 176.094 -0.005 0.000 1.029 162 V CA -0.890 61.417 62.300 0.013 0.000 0.870 162 V CB 1.214 33.056 31.823 0.032 0.000 0.984 162 V HN 0.898 nan 8.190 nan 0.000 0.451 163 N N 5.561 124.267 118.700 0.011 0.000 2.424 163 N HA 0.456 5.196 4.740 0.000 0.000 0.271 163 N C -1.039 174.440 175.510 -0.051 0.000 0.985 163 N CA -0.426 52.616 53.050 -0.013 0.000 0.921 163 N CB 1.554 40.052 38.487 0.019 0.000 1.149 163 N HN 0.599 nan 8.380 nan 0.000 0.492 164 I N 4.253 124.755 120.570 -0.113 0.000 2.371 164 I HA 0.289 4.459 4.170 0.000 0.000 0.282 164 I C 0.626 176.617 176.117 -0.209 0.000 1.031 164 I CA -0.455 60.748 61.300 -0.161 0.000 1.180 164 I CB 0.601 38.480 38.000 -0.201 0.000 1.336 164 I HN 0.584 nan 8.210 nan 0.000 0.467 165 R N 3.943 124.360 120.500 -0.137 0.000 3.774 165 R HA -0.184 4.156 4.340 0.000 0.000 0.320 165 R C 0.962 177.247 176.300 -0.025 0.000 1.175 165 R CA 0.509 56.540 56.100 -0.116 0.000 0.849 165 R CB -1.914 28.192 30.300 -0.324 0.000 1.365 165 R HN 1.109 nan 8.270 nan 0.000 0.502 166 G N -0.480 108.239 108.800 -0.135 0.000 2.213 166 G HA2 -0.276 3.684 3.960 0.000 0.000 0.226 166 G HA3 -0.276 3.684 3.960 0.000 0.000 0.226 166 G C 0.260 175.199 174.900 0.066 0.000 0.992 166 G CA 0.086 45.190 45.100 0.007 0.000 0.632 166 G HN 0.285 nan 8.290 nan 0.000 0.511 167 I N 1.207 121.608 120.570 -0.283 0.000 2.396 167 I HA 0.455 4.625 4.170 0.000 0.000 0.292 167 I C 1.170 177.233 176.117 -0.090 0.000 0.999 167 I CA 0.577 61.686 61.300 -0.317 0.000 1.310 167 I CB 1.616 39.268 38.000 -0.580 0.000 1.404 167 I HN 0.496 nan 8.210 nan 0.000 0.496 168 Q N 2.615 122.427 119.800 0.020 0.000 1.892 168 Q HA 0.212 4.552 4.340 0.000 0.000 0.200 168 Q C -0.900 175.085 176.000 -0.026 0.000 0.726 168 Q CA -0.359 55.451 55.803 0.011 0.000 0.853 168 Q CB 0.833 29.621 28.738 0.083 0.000 1.211 168 Q HN 0.487 nan 8.270 nan 0.000 0.420 169 D N -0.070 120.312 120.400 -0.029 0.000 2.374 169 D HA 0.291 4.931 4.640 0.000 0.000 0.239 169 D C -0.829 175.431 176.300 -0.067 0.000 0.991 169 D CA -0.513 53.427 54.000 -0.100 0.000 0.960 169 D CB 0.701 41.460 40.800 -0.068 0.000 1.284 169 D HN 0.120 nan 8.370 nan 0.000 0.512 170 Y N 0.701 120.920 120.300 -0.134 0.000 3.108 170 Y HA -0.164 4.386 4.550 0.000 0.000 0.208 170 Y C 1.421 177.237 175.900 -0.140 0.000 1.245 170 Y CA 1.011 59.015 58.100 -0.159 0.000 1.171 170 Y CB -1.710 36.617 38.460 -0.221 0.000 1.331 170 Y HN 0.771 nan 8.280 nan 0.000 0.534 171 G N -0.931 107.852 108.800 -0.028 0.000 2.168 171 G HA2 -0.411 3.549 3.960 0.000 0.000 0.263 171 G HA3 -0.411 3.549 3.960 0.000 0.000 0.263 171 G C 1.314 176.181 174.900 -0.055 0.000 0.977 171 G CA 0.497 45.574 45.100 -0.038 0.000 0.659 171 G HN 0.547 nan 8.290 nan 0.000 0.533 172 R N -0.848 119.614 120.500 -0.064 0.000 2.096 172 R HA 0.077 4.417 4.340 0.000 0.000 0.235 172 R C 0.917 177.161 176.300 -0.093 0.000 1.127 172 R CA 1.422 57.472 56.100 -0.084 0.000 0.968 172 R CB 0.014 30.264 30.300 -0.084 0.000 0.861 172 R HN 0.360 nan 8.270 nan 0.000 0.440 173 V N 2.661 122.521 119.914 -0.090 0.000 2.328 173 V HA 0.054 4.174 4.120 0.000 0.000 0.278 173 V C -0.300 175.746 176.094 -0.080 0.000 1.021 173 V CA -0.870 61.374 62.300 -0.093 0.000 0.838 173 V CB 1.234 33.003 31.823 -0.091 0.000 0.999 173 V HN 0.168 nan 8.190 nan 0.000 0.447 174 N N 6.340 124.989 118.700 -0.085 0.000 2.410 174 N HA 0.098 4.839 4.740 0.000 0.000 0.281 174 N C -0.191 175.283 175.510 -0.059 0.000 1.241 174 N CA 0.329 53.326 53.050 -0.088 0.000 0.998 174 N CB 0.069 38.494 38.487 -0.103 0.000 1.376 174 N HN 0.600 nan 8.380 nan 0.000 0.490 175 M N 2.876 122.452 119.600 -0.040 0.000 2.162 175 M HA 0.168 4.648 4.480 0.000 0.000 0.356 175 M C 0.068 176.359 176.300 -0.015 0.000 1.303 175 M CA -0.164 55.149 55.300 0.021 0.000 1.116 175 M CB 0.377 32.974 32.600 -0.004 0.000 1.632 175 M HN 0.557 nan 8.290 nan 0.000 0.469 176 N N 2.377 121.105 118.700 0.047 0.000 2.484 176 N HA 0.676 5.416 4.740 0.000 0.000 0.269 176 N C -1.703 173.830 175.510 0.038 0.000 1.237 176 N CA -0.945 52.087 53.050 -0.029 0.000 0.838 176 N CB 1.666 40.091 38.487 -0.103 0.000 1.593 176 N HN 0.573 nan 8.380 nan 0.000 0.485 177 I N 0.961 121.496 120.570 -0.059 0.000 2.355 177 I HA 0.285 4.455 4.170 0.000 0.000 0.288 177 I C -0.475 175.579 176.117 -0.104 0.000 0.999 177 I CA -0.539 60.740 61.300 -0.035 0.000 1.163 177 I CB 1.190 39.141 38.000 -0.082 0.000 1.316 177 I HN 0.669 nan 8.210 nan 0.000 0.454 178 D N 5.320 125.674 120.400 -0.077 0.000 2.837 178 D HA -0.205 4.435 4.640 0.000 0.000 0.230 178 D C 1.147 177.344 176.300 -0.171 0.000 1.152 178 D CA 1.620 55.555 54.000 -0.109 0.000 0.736 178 D CB -1.076 39.667 40.800 -0.095 0.000 1.084 178 D HN 1.134 nan 8.370 nan 0.000 0.429 179 G N -1.280 107.409 108.800 -0.187 0.000 2.225 179 G HA2 -0.360 3.600 3.960 0.000 0.000 0.254 179 G HA3 -0.360 3.600 3.960 0.000 0.000 0.254 179 G C 0.377 175.009 174.900 -0.447 0.000 0.988 179 G CA 0.380 45.336 45.100 -0.240 0.000 0.625 179 G HN 0.422 nan 8.290 nan 0.000 0.527 180 M N 1.727 120.977 119.600 -0.583 0.000 2.143 180 M HA 0.377 4.857 4.480 0.000 0.000 0.348 180 M C 0.781 176.850 176.300 -0.384 0.000 1.375 180 M CA -0.100 54.619 55.300 -0.968 0.000 1.124 180 M CB 0.658 32.839 32.600 -0.698 0.000 1.669 180 M HN 0.102 nan 8.290 nan 0.000 0.469 181 R N 2.642 123.025 120.500 -0.195 0.000 2.421 181 R HA 0.065 4.405 4.340 0.000 0.000 0.305 181 R C -0.360 175.910 176.300 -0.050 0.000 1.039 181 R CA -0.162 55.872 56.100 -0.110 0.000 1.003 181 R CB 0.407 30.589 30.300 -0.196 0.000 0.959 181 R HN 0.485 nan 8.270 nan 0.000 0.427 182 Q N 2.627 122.381 119.800 -0.077 0.000 2.361 182 Q HA 0.116 4.456 4.340 0.000 0.000 0.250 182 Q C -0.052 175.929 176.000 -0.031 0.000 1.023 182 Q CA 0.020 55.790 55.803 -0.055 0.000 0.915 182 Q CB 0.959 29.639 28.738 -0.097 0.000 1.238 182 Q HN 0.460 nan 8.270 nan 0.000 0.451 183 N N 1.483 120.193 118.700 0.017 0.000 2.177 183 N HA 0.052 4.792 4.740 0.000 0.000 0.218 183 N C -0.369 175.168 175.510 0.044 0.000 1.182 183 N CA -0.149 52.914 53.050 0.022 0.000 0.882 183 N CB 0.453 38.968 38.487 0.047 0.000 1.052 183 N HN 0.398 nan 8.380 nan 0.000 0.519 184 F N 2.423 122.337 119.950 -0.061 0.000 2.572 184 F HA 0.160 4.687 4.527 0.000 0.000 0.370 184 F C 0.502 176.256 175.800 -0.077 0.000 1.103 184 F CA 0.354 58.326 58.000 -0.047 0.000 1.286 184 F CB 0.673 39.659 39.000 -0.023 0.000 1.105 184 F HN -0.125 nan 8.300 nan 0.000 0.583 185 Q N 6.527 125.775 119.800 -0.921 0.000 2.359 185 Q HA 0.319 4.659 4.340 0.000 0.000 0.274 185 Q C -1.849 173.610 176.000 -0.902 0.000 1.074 185 Q CA -0.921 54.454 55.803 -0.712 0.000 0.810 185 Q CB 2.221 30.709 28.738 -0.416 0.000 1.342 185 Q HN 0.857 nan 8.270 nan 0.000 0.427 186 K N 2.358 122.447 120.400 -0.518 0.000 2.652 186 K HA 0.302 4.622 4.320 0.000 0.000 0.249 186 K C -1.132 175.401 176.600 -0.112 0.000 0.986 186 K CA -0.266 55.849 56.287 -0.288 0.000 0.867 186 K CB 1.503 33.936 32.500 -0.112 0.000 1.201 186 K HN 0.651 nan 8.250 nan 0.000 0.450 187 S N 1.559 117.224 115.700 -0.058 0.000 2.558 187 S HA 0.289 4.759 4.470 0.000 0.000 0.293 187 S C 0.359 174.952 174.600 -0.011 0.000 1.292 187 S CA 0.728 58.933 58.200 0.008 0.000 1.063 187 S CB 0.808 64.033 63.200 0.042 0.000 0.831 187 S HN 0.840 nan 8.310 nan 0.000 0.499 188 G N 1.587 110.383 108.800 -0.006 0.000 2.894 188 G HA2 0.289 4.249 3.960 0.000 0.000 0.164 188 G HA3 0.289 4.249 3.960 0.000 0.000 0.164 188 G C -0.635 174.217 174.900 -0.080 0.000 1.180 188 G CA -0.621 44.429 45.100 -0.083 0.000 0.997 188 G HN 0.690 nan 8.290 nan 0.000 0.572 189 H N 0.276 119.416 119.070 0.116 0.000 2.566 189 H HA 0.369 4.925 4.556 0.000 0.000 0.280 189 H C 1.842 177.179 175.328 0.014 0.000 1.042 189 H CA 0.930 57.062 56.048 0.141 0.000 1.168 189 H CB 0.298 30.083 29.762 0.037 0.000 1.340 189 H HN 1.045 nan 8.280 nan 0.000 0.597 190 G N 0.560 109.448 108.800 0.147 0.000 2.184 190 G HA2 -0.439 3.521 3.960 0.000 0.000 0.264 190 G HA3 -0.439 3.521 3.960 0.000 0.000 0.264 190 G C 1.144 176.092 174.900 0.080 0.000 0.975 190 G CA 0.783 45.939 45.100 0.094 0.000 0.642 190 G HN 0.428 nan 8.290 nan 0.000 0.536 191 Q N -0.004 119.883 119.800 0.146 0.000 2.045 191 Q HA -0.047 4.293 4.340 0.000 0.000 0.206 191 Q C 1.695 177.732 176.000 0.062 0.000 0.991 191 Q CA 2.028 57.924 55.803 0.155 0.000 0.851 191 Q CB -0.055 28.726 28.738 0.072 0.000 0.911 191 Q HN 0.867 nan 8.270 nan 0.000 0.418 192 R N 0.212 120.720 120.500 0.013 0.000 2.539 192 R HA 0.366 4.706 4.340 0.000 0.000 0.295 192 R C -1.450 174.779 176.300 -0.118 0.000 1.138 192 R CA -0.482 55.593 56.100 -0.041 0.000 0.936 192 R CB 0.584 30.863 30.300 -0.035 0.000 1.182 192 R HN -0.100 nan 8.270 nan 0.000 0.459 193 N N 2.220 120.791 118.700 -0.215 0.000 2.521 193 N HA 0.312 5.052 4.740 0.000 0.000 0.236 193 N C -0.340 174.799 175.510 -0.617 0.000 1.067 193 N CA 0.361 53.130 53.050 -0.468 0.000 0.939 193 N CB 1.562 39.615 38.487 -0.723 0.000 1.201 193 N HN 0.966 nan 8.380 nan 0.000 0.511 194 G N 0.781 109.336 108.800 -0.410 0.000 3.071 194 G HA2 -0.021 3.939 3.960 0.000 0.000 0.620 194 G HA3 -0.021 3.939 3.960 0.000 0.000 0.620 194 G C -0.509 174.289 174.900 -0.170 0.000 1.204 194 G CA -0.715 44.204 45.100 -0.302 0.000 1.200 194 G HN 0.529 nan 8.290 nan 0.000 0.530 195 T N -0.591 113.912 114.554 -0.086 0.000 2.865 195 T HA 0.907 5.257 4.350 0.000 0.000 0.294 195 T C 0.099 174.730 174.700 -0.115 0.000 1.119 195 T CA -0.323 61.709 62.100 -0.114 0.000 1.007 195 T CB 2.483 71.269 68.868 -0.136 0.000 1.225 195 T HN 1.821 nan 8.240 nan 0.000 0.515 196 M N -0.096 119.303 119.600 -0.335 0.000 2.683 196 M HA 0.744 5.224 4.480 0.000 0.000 0.274 196 M C -2.154 173.774 176.300 -0.620 0.000 1.272 196 M CA -1.270 53.827 55.300 -0.338 0.000 0.833 196 M CB 1.964 34.390 32.600 -0.290 0.000 1.708 196 M HN 0.654 nan 8.290 nan 0.000 0.463 197 Y N 0.778 120.910 120.300 -0.279 0.000 2.361 197 Y HA 0.816 5.366 4.550 0.000 0.000 0.337 197 Y C -1.064 174.662 175.900 -0.291 0.000 0.965 197 Y CA -0.743 57.186 58.100 -0.285 0.000 1.091 197 Y CB 2.136 40.440 38.460 -0.260 0.000 1.182 197 Y HN 0.682 nan 8.280 nan 0.000 0.450 198 I N 1.753 122.215 120.570 -0.179 0.000 2.752 198 I HA 0.285 4.455 4.170 0.000 0.000 0.295 198 I C -0.250 175.792 176.117 -0.125 0.000 1.219 198 I CA -0.309 60.870 61.300 -0.201 0.000 1.030 198 I CB 2.071 39.837 38.000 -0.390 0.000 1.259 198 I HN 0.651 nan 8.210 nan 0.000 0.423 199 D N 2.443 122.794 120.400 -0.081 0.000 2.367 199 D HA 0.017 4.657 4.640 0.000 0.000 0.207 199 D C 1.448 177.728 176.300 -0.033 0.000 1.034 199 D CA 1.479 55.449 54.000 -0.050 0.000 0.861 199 D CB 0.698 41.469 40.800 -0.050 0.000 0.943 199 D HN 0.678 nan 8.370 nan 0.000 0.515 200 S N -0.184 115.506 115.700 -0.015 0.000 2.156 200 S HA -0.343 4.127 4.470 0.000 0.000 0.234 200 S C 1.329 175.924 174.600 -0.010 0.000 1.141 200 S CA 1.929 60.134 58.200 0.008 0.000 1.592 200 S CB -1.550 61.654 63.200 0.006 0.000 2.054 200 S HN 0.238 nan 8.310 nan 0.000 0.586 201 E N 0.897 121.084 120.200 -0.020 0.000 2.274 201 E HA 0.232 4.582 4.350 0.000 0.000 0.194 201 E C 1.311 177.907 176.600 -0.008 0.000 0.996 201 E CA 1.352 57.738 56.400 -0.022 0.000 0.840 201 E CB -0.119 29.570 29.700 -0.018 0.000 0.772 201 E HN 0.829 nan 8.360 nan 0.000 0.491 202 L N 0.349 121.571 121.223 -0.002 0.000 3.110 202 L HA 0.323 4.663 4.340 0.000 0.000 0.266 202 L C -0.339 176.542 176.870 0.018 0.000 1.257 202 L CA -0.277 54.568 54.840 0.009 0.000 1.038 202 L CB 0.332 42.389 42.059 -0.002 0.000 1.395 202 L HN -0.086 nan 8.230 nan 0.000 0.566 203 L N -0.177 121.058 121.223 0.019 0.000 2.295 203 L HA 0.267 4.607 4.340 0.000 0.000 0.285 203 L C 1.533 178.405 176.870 0.003 0.000 1.035 203 L CA -0.162 54.694 54.840 0.025 0.000 0.806 203 L CB 2.003 44.093 42.059 0.051 0.000 1.214 203 L HN 0.154 nan 8.230 nan 0.000 0.426 204 S N 1.735 117.431 115.700 -0.006 0.000 2.406 204 S HA 0.182 4.652 4.470 0.000 0.000 0.228 204 S C 0.714 175.283 174.600 -0.051 0.000 1.020 204 S CA 0.530 58.709 58.200 -0.036 0.000 0.965 204 S CB 0.088 63.261 63.200 -0.044 0.000 0.798 204 S HN 0.956 nan 8.310 nan 0.000 0.488 205 G N -0.833 107.939 108.800 -0.047 0.000 2.321 205 G HA2 0.413 4.373 3.960 0.000 0.000 0.298 205 G HA3 0.413 4.373 3.960 0.000 0.000 0.298 205 G C -1.875 172.957 174.900 -0.114 0.000 1.385 205 G CA -0.331 44.727 45.100 -0.071 0.000 0.856 205 G HN 0.660 nan 8.290 nan 0.000 0.584 206 V N 0.425 120.231 119.914 -0.180 0.000 2.588 206 V HA 0.801 4.921 4.120 0.000 0.000 0.304 206 V C 0.258 176.189 176.094 -0.271 0.000 1.042 206 V CA -0.160 61.934 62.300 -0.342 0.000 0.877 206 V CB 1.691 33.173 31.823 -0.567 0.000 0.996 206 V HN 1.407 nan 8.190 nan 0.000 0.425 207 T N 2.771 117.171 114.554 -0.257 0.000 2.770 207 T HA 0.705 5.055 4.350 0.000 0.000 0.283 207 T C -0.614 173.950 174.700 -0.226 0.000 0.988 207 T CA -0.395 61.604 62.100 -0.169 0.000 0.957 207 T CB 0.805 69.673 68.868 0.000 0.000 0.930 207 T HN 0.445 nan 8.240 nan 0.000 0.443 208 I N 4.001 124.433 120.570 -0.231 0.000 2.361 208 I HA 0.213 4.383 4.170 0.000 0.000 0.282 208 I C 0.105 176.100 176.117 -0.204 0.000 1.075 208 I CA -0.649 60.514 61.300 -0.228 0.000 1.205 208 I CB 0.687 38.543 38.000 -0.240 0.000 1.406 208 I HN 0.669 nan 8.210 nan 0.000 0.481 209 D N 7.364 127.662 120.400 -0.170 0.000 2.383 209 D HA 0.111 4.752 4.640 0.000 0.000 0.245 209 D C 0.014 176.209 176.300 -0.174 0.000 1.263 209 D CA 0.054 53.960 54.000 -0.157 0.000 0.936 209 D CB 0.538 41.269 40.800 -0.115 0.000 1.053 209 D HN 0.340 nan 8.370 nan 0.000 0.507 210 K N 1.398 121.676 120.400 -0.203 0.000 2.126 210 K HA 0.612 4.933 4.320 0.000 0.000 0.257 210 K C 0.817 177.291 176.600 -0.210 0.000 1.007 210 K CA -0.491 55.657 56.287 -0.231 0.000 0.928 210 K CB 1.176 33.505 32.500 -0.285 0.000 1.013 210 K HN 0.549 nan 8.250 nan 0.000 0.473 211 G N 0.257 108.919 108.800 -0.230 0.000 2.548 211 G HA2 -0.205 3.755 3.960 0.000 0.000 0.208 211 G HA3 -0.205 3.755 3.960 0.000 0.000 0.208 211 G C -0.653 174.159 174.900 -0.146 0.000 1.308 211 G CA -0.372 44.621 45.100 -0.177 0.000 0.924 211 G HN 0.780 nan 8.290 nan 0.000 0.540 212 T N -1.589 112.894 114.554 -0.118 0.000 2.824 212 T HA 0.856 5.206 4.350 0.000 0.000 0.280 212 T C 0.327 174.960 174.700 -0.112 0.000 0.995 212 T CA 0.944 62.975 62.100 -0.116 0.000 1.009 212 T CB 1.625 70.424 68.868 -0.116 0.000 0.955 212 T HN 2.143 nan 8.240 nan 0.000 0.452 213 T N 0.519 115.010 114.554 -0.105 0.000 2.887 213 T HA 0.852 5.202 4.350 0.000 0.000 0.292 213 T C 0.267 174.906 174.700 -0.101 0.000 1.087 213 T CA -0.725 61.312 62.100 -0.104 0.000 1.009 213 T CB 1.569 70.369 68.868 -0.113 0.000 1.203 213 T HN 1.021 nan 8.240 nan 0.000 0.518 214 G N -1.572 107.159 108.800 -0.115 0.000 2.735 214 G HA2 0.745 4.705 3.960 0.000 0.000 0.301 214 G HA3 0.745 4.705 3.960 0.000 0.000 0.301 214 G C 0.418 175.154 174.900 -0.274 0.000 1.279 214 G CA -0.312 44.710 45.100 -0.131 0.000 1.019 214 G HN 1.700 nan 8.290 nan 0.000 0.497 215 G N -0.921 107.583 108.800 -0.493 0.000 2.804 215 G HA2 0.123 4.083 3.960 0.000 0.000 0.230 215 G HA3 0.123 4.083 3.960 0.000 0.000 0.230 215 G C 0.322 174.621 174.900 -1.001 0.000 1.386 215 G CA 0.254 44.593 45.100 -1.269 0.000 0.875 215 G HN 1.458 nan 8.290 nan 0.000 0.557 216 M N 1.335 120.313 119.600 -1.036 0.000 2.286 216 M HA 0.396 4.876 4.480 0.000 0.000 0.365 216 M C 1.605 177.791 176.300 -0.191 0.000 1.443 216 M CA 2.526 57.640 55.300 -0.310 0.000 0.951 216 M CB -0.302 32.261 32.600 -0.062 0.000 1.961 216 M HN 2.706 nan 8.290 nan 0.000 0.468 217 G N 2.354 111.102 108.800 -0.086 0.000 2.176 217 G HA2 -0.218 3.742 3.960 0.000 0.000 0.232 217 G HA3 -0.218 3.742 3.960 0.000 0.000 0.232 217 G C 0.786 175.637 174.900 -0.083 0.000 0.986 217 G CA 0.348 45.397 45.100 -0.085 0.000 0.643 217 G HN 0.700 nan 8.290 nan 0.000 0.522 218 S N -0.096 115.559 115.700 -0.074 0.000 2.492 218 S HA 0.471 4.942 4.470 0.000 0.000 0.218 218 S C 2.614 177.216 174.600 0.003 0.000 1.016 218 S CA 1.296 59.459 58.200 -0.061 0.000 0.916 218 S CB 0.027 63.171 63.200 -0.092 0.000 0.791 218 S HN 1.280 nan 8.310 nan 0.000 0.513 219 A N 1.843 124.703 122.820 0.067 0.000 1.848 219 A HA -0.046 4.274 4.320 0.000 0.000 0.217 219 A C 1.900 179.557 177.584 0.121 0.000 1.220 219 A CA 1.792 53.913 52.037 0.141 0.000 0.645 219 A CB -1.401 17.747 19.000 0.247 0.000 0.842 219 A HN 0.502 nan 8.150 nan 0.000 0.451 220 G N -0.705 108.167 108.800 0.119 0.000 3.452 220 G HA2 0.422 4.382 3.960 0.000 0.000 0.258 220 G HA3 0.422 4.382 3.960 0.000 0.000 0.258 220 G C -0.021 174.866 174.900 -0.021 0.000 1.305 220 G CA 0.504 45.635 45.100 0.052 0.000 1.514 220 G HN 0.357 nan 8.290 nan 0.000 0.593 221 T N 0.088 114.630 114.554 -0.019 0.000 2.863 221 T HA 0.471 4.821 4.350 0.000 0.000 0.285 221 T C 0.160 174.825 174.700 -0.059 0.000 1.009 221 T CA -0.380 61.689 62.100 -0.051 0.000 0.989 221 T CB 2.038 70.873 68.868 -0.055 0.000 1.004 221 T HN -0.052 nan 8.240 nan 0.000 0.455 222 L N 1.968 123.141 121.223 -0.084 0.000 2.758 222 L HA 0.450 4.790 4.340 0.000 0.000 0.234 222 L C 2.124 178.911 176.870 -0.139 0.000 1.049 222 L CA 0.964 55.751 54.840 -0.088 0.000 0.908 222 L CB -0.443 41.576 42.059 -0.066 0.000 1.362 222 L HN 0.792 nan 8.230 nan 0.000 0.499 223 G N -1.355 107.342 108.800 -0.172 0.000 2.944 223 G HA2 0.521 4.481 3.960 0.000 0.000 0.220 223 G HA3 0.521 4.481 3.960 0.000 0.000 0.220 223 G C 0.581 175.359 174.900 -0.203 0.000 1.100 223 G CA 0.561 45.524 45.100 -0.229 0.000 0.780 223 G HN 0.583 nan 8.290 nan 0.000 0.539 224 G N -0.447 108.256 108.800 -0.161 0.000 2.340 224 G HA2 0.231 4.191 3.960 0.000 0.000 0.282 224 G HA3 0.231 4.191 3.960 0.000 0.000 0.282 224 G C -1.725 173.097 174.900 -0.130 0.000 1.312 224 G CA -0.825 44.184 45.100 -0.153 0.000 0.942 224 G HN 0.404 nan 8.290 nan 0.000 0.495 225 I N 0.523 121.014 120.570 -0.132 0.000 2.466 225 I HA 0.634 4.804 4.170 0.000 0.000 0.289 225 I C 0.215 176.255 176.117 -0.129 0.000 1.026 225 I CA -1.001 60.228 61.300 -0.118 0.000 1.078 225 I CB 2.142 40.073 38.000 -0.114 0.000 1.249 225 I HN 0.915 nan 8.210 nan 0.000 0.429 226 A N 4.341 127.097 122.820 -0.106 0.000 2.399 226 A HA 0.628 4.948 4.320 0.000 0.000 0.327 226 A C -0.160 177.341 177.584 -0.138 0.000 1.367 226 A CA -0.428 51.518 52.037 -0.152 0.000 0.842 226 A CB 0.279 19.228 19.000 -0.085 0.000 1.142 226 A HN 0.656 nan 8.150 nan 0.000 0.495 227 T N 2.399 116.823 114.554 -0.216 0.000 2.771 227 T HA 0.497 4.847 4.350 0.000 0.000 0.291 227 T C -0.659 173.874 174.700 -0.277 0.000 0.954 227 T CA 0.336 62.349 62.100 -0.146 0.000 1.045 227 T CB 0.033 68.827 68.868 -0.125 0.000 0.917 227 T HN 0.324 nan 8.240 nan 0.000 0.484 228 F N 3.283 123.172 119.950 -0.102 0.000 2.388 228 F HA 0.372 4.899 4.527 0.000 0.000 0.358 228 F C 0.792 176.538 175.800 -0.091 0.000 1.122 228 F CA -1.015 56.929 58.000 -0.092 0.000 1.056 228 F CB 0.971 39.913 39.000 -0.096 0.000 1.155 228 F HN 0.383 nan 8.300 nan 0.000 0.461 229 N N 2.065 120.782 118.700 0.029 0.000 2.425 229 N HA 0.235 4.975 4.740 0.000 0.000 0.268 229 N C -0.383 175.132 175.510 0.008 0.000 0.991 229 N CA -0.287 52.758 53.050 -0.008 0.000 0.931 229 N CB 1.746 40.202 38.487 -0.051 0.000 1.130 229 N HN 0.537 nan 8.380 nan 0.000 0.493 230 T N -1.669 112.885 114.554 0.001 0.000 2.889 230 T HA 0.255 4.605 4.350 0.000 0.000 0.291 230 T C 0.829 175.537 174.700 0.013 0.000 0.995 230 T CA -0.736 61.368 62.100 0.007 0.000 1.092 230 T CB 0.948 69.812 68.868 -0.005 0.000 0.954 230 T HN 0.134 nan 8.240 nan 0.000 0.506 231 V N 3.291 123.228 119.914 0.039 0.000 2.877 231 V HA 0.009 4.129 4.120 0.000 0.000 0.294 231 V C 0.728 176.878 176.094 0.092 0.000 1.280 231 V CA 0.859 63.218 62.300 0.097 0.000 1.372 231 V CB 0.155 32.061 31.823 0.138 0.000 0.867 231 V HN 1.127 nan 8.190 nan 0.000 0.513 232 S N 2.967 118.743 115.700 0.126 0.000 2.634 232 S HA 0.647 5.117 4.470 0.000 0.000 0.296 232 S C 0.983 175.677 174.600 0.157 0.000 1.104 232 S CA -0.089 58.162 58.200 0.083 0.000 0.920 232 S CB 1.884 65.094 63.200 0.015 0.000 1.111 232 S HN 0.968 nan 8.310 nan 0.000 0.493 233 A N 1.363 124.232 122.820 0.081 0.000 2.024 233 A HA -0.090 4.230 4.320 0.000 0.000 0.220 233 A C 2.071 179.721 177.584 0.111 0.000 1.164 233 A CA 2.037 54.127 52.037 0.088 0.000 0.643 233 A CB -0.935 18.070 19.000 0.008 0.000 0.806 233 A HN 0.890 nan 8.150 nan 0.000 0.451 234 S N -0.223 115.503 115.700 0.044 0.000 2.489 234 S HA -0.081 4.389 4.470 0.000 0.000 0.228 234 S C 0.836 175.391 174.600 -0.076 0.000 0.995 234 S CA 0.992 59.184 58.200 -0.014 0.000 0.934 234 S CB -0.293 62.880 63.200 -0.045 0.000 0.771 234 S HN 0.502 nan 8.310 nan 0.000 0.522 235 D N 0.411 120.738 120.400 -0.122 0.000 2.363 235 D HA 0.149 4.789 4.640 0.000 0.000 0.220 235 D C 0.371 176.206 176.300 -0.776 0.000 0.994 235 D CA 0.607 54.318 54.000 -0.481 0.000 0.890 235 D CB -0.123 40.263 40.800 -0.689 0.000 0.906 235 D HN 0.579 nan 8.370 nan 0.000 0.530 236 F N -0.679 119.203 119.950 -0.112 0.000 2.880 236 F HA 0.264 4.792 4.527 0.000 0.000 0.346 236 F C 0.758 176.492 175.800 -0.111 0.000 1.054 236 F CA -0.252 57.663 58.000 -0.143 0.000 1.151 236 F CB 0.868 39.755 39.000 -0.189 0.000 1.066 236 F HN -0.249 nan 8.300 nan 0.000 0.566 237 L N 0.085 121.347 121.223 0.064 0.000 2.313 237 L HA 0.944 5.284 4.340 0.000 0.000 0.268 237 L C -0.280 176.584 176.870 -0.011 0.000 1.010 237 L CA -1.062 53.794 54.840 0.028 0.000 0.814 237 L CB 1.845 43.921 42.059 0.029 0.000 1.304 237 L HN -0.057 nan 8.230 nan 0.000 0.441 238 A N 0.732 123.547 122.820 -0.008 0.000 2.599 238 A HA 0.649 4.969 4.320 0.000 0.000 0.290 238 A C -2.467 175.111 177.584 -0.010 0.000 1.101 238 A CA -0.970 51.056 52.037 -0.018 0.000 0.674 238 A CB 1.028 20.013 19.000 -0.024 0.000 1.277 238 A HN 0.467 nan 8.150 nan 0.000 0.419 239 P HA -0.213 nan 4.420 nan 0.000 0.218 239 P C 1.699 178.998 177.300 -0.001 0.000 1.165 239 P CA 2.819 65.915 63.100 -0.008 0.000 0.922 239 P CB 0.028 31.722 31.700 -0.010 0.000 0.794 240 G N -0.714 108.085 108.800 -0.001 0.000 2.422 240 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 240 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 240 G C 0.736 175.643 174.900 0.012 0.000 1.146 240 G CA 0.338 45.441 45.100 0.005 0.000 0.769 240 G HN 0.278 nan 8.290 nan 0.000 0.547 241 K N 0.741 121.149 120.400 0.013 0.000 2.227 241 K HA 0.280 4.600 4.320 0.000 0.000 0.280 241 K C 0.274 176.890 176.600 0.026 0.000 1.041 241 K CA -0.160 56.142 56.287 0.025 0.000 0.905 241 K CB 0.887 33.405 32.500 0.029 0.000 1.068 241 K HN 0.162 nan 8.250 nan 0.000 0.470 242 E N 3.266 123.486 120.200 0.034 0.000 2.511 242 E HA 0.097 4.447 4.350 0.000 0.000 0.209 242 E C -0.399 176.225 176.600 0.041 0.000 0.986 242 E CA -0.049 56.368 56.400 0.029 0.000 0.974 242 E CB 0.687 30.401 29.700 0.023 0.000 1.030 242 E HN 0.389 nan 8.360 nan 0.000 0.490 243 L N 0.141 121.405 121.223 0.068 0.000 2.464 243 L HA 0.666 5.006 4.340 0.000 0.000 0.266 243 L C -0.980 175.982 176.870 0.152 0.000 0.965 243 L CA -0.492 54.411 54.840 0.105 0.000 0.833 243 L CB 1.827 43.960 42.059 0.122 0.000 1.296 243 L HN 0.025 nan 8.230 nan 0.000 0.405 244 G N 1.851 110.715 108.800 0.107 0.000 2.684 244 G HA2 0.807 4.767 3.960 0.000 0.000 0.290 244 G HA3 0.807 4.767 3.960 0.000 0.000 0.290 244 G C -1.133 173.503 174.900 -0.441 0.000 1.425 244 G CA -0.222 44.848 45.100 -0.052 0.000 0.822 244 G HN 1.034 nan 8.290 nan 0.000 0.482 245 G N -0.990 107.123 108.800 -1.144 0.000 2.320 245 G HA2 0.576 4.536 3.960 0.000 0.000 0.296 245 G HA3 0.576 4.536 3.960 0.000 0.000 0.296 245 G C -1.877 172.327 174.900 -1.160 0.000 1.306 245 G CA -0.443 43.880 45.100 -1.296 0.000 0.836 245 G HN 0.747 nan 8.290 nan 0.000 0.517 246 K N 0.630 120.693 120.400 -0.562 0.000 2.670 246 K HA 0.343 4.663 4.320 0.000 0.000 0.274 246 K C -1.186 175.464 176.600 0.083 0.000 1.068 246 K CA -0.566 55.654 56.287 -0.113 0.000 0.967 246 K CB 0.820 33.368 32.500 0.080 0.000 1.297 246 K HN 0.470 nan 8.250 nan 0.000 0.477 247 L N 4.240 125.622 121.223 0.265 0.000 2.312 247 L HA 0.475 4.815 4.340 0.000 0.000 0.281 247 L C 0.041 177.084 176.870 0.288 0.000 1.070 247 L CA -0.748 54.251 54.840 0.264 0.000 0.805 247 L CB 1.146 43.379 42.059 0.291 0.000 1.174 247 L HN 0.567 nan 8.230 nan 0.000 0.434 248 H N 2.645 121.793 119.070 0.130 0.000 2.771 248 H HA 0.752 5.308 4.556 0.000 0.000 0.361 248 H C -1.858 173.534 175.328 0.107 0.000 1.108 248 H CA -0.539 55.573 56.048 0.108 0.000 1.201 248 H CB 2.313 32.114 29.762 0.064 0.000 1.681 248 H HN 0.756 nan 8.280 nan 0.000 0.534 249 A N 2.915 125.417 122.820 -0.530 0.000 2.549 249 A HA 0.622 4.942 4.320 0.000 0.000 0.297 249 A C -1.100 176.243 177.584 -0.402 0.000 1.061 249 A CA 0.012 51.867 52.037 -0.303 0.000 0.690 249 A CB 1.731 20.797 19.000 0.110 0.000 1.287 249 A HN 0.917 nan 8.150 nan 0.000 0.402 250 S N -0.059 115.538 115.700 -0.171 0.000 2.636 250 S HA 0.892 5.363 4.470 0.000 0.000 0.266 250 S C -0.662 173.995 174.600 0.095 0.000 1.147 250 S CA 0.203 58.375 58.200 -0.046 0.000 0.815 250 S CB 1.410 64.574 63.200 -0.059 0.000 1.119 250 S HN 2.221 nan 8.310 nan 0.000 0.470 251 T N -1.039 113.575 114.554 0.100 0.000 2.718 251 T HA 0.791 5.141 4.350 0.000 0.000 0.306 251 T C -0.474 174.282 174.700 0.093 0.000 1.485 251 T CA 0.133 62.311 62.100 0.129 0.000 0.997 251 T CB 0.924 69.888 68.868 0.160 0.000 1.504 251 T HN 1.989 nan 8.240 nan 0.000 0.497 252 G N 0.788 109.642 108.800 0.090 0.000 2.663 252 G HA2 0.591 4.551 3.960 0.000 0.000 0.299 252 G HA3 0.591 4.551 3.960 0.000 0.000 0.299 252 G C -1.374 173.573 174.900 0.078 0.000 1.372 252 G CA -0.222 44.923 45.100 0.074 0.000 0.781 252 G HN 0.875 nan 8.290 nan 0.000 0.491 253 D N -1.350 119.097 120.400 0.079 0.000 2.469 253 D HA 0.282 4.923 4.640 0.000 0.000 0.278 253 D C 0.674 177.031 176.300 0.095 0.000 1.231 253 D CA -0.705 53.352 54.000 0.095 0.000 1.075 253 D CB -0.007 40.850 40.800 0.095 0.000 1.121 253 D HN 0.440 nan 8.370 nan 0.000 0.571 254 N N -1.183 117.608 118.700 0.152 0.000 2.714 254 N HA -0.204 4.536 4.740 0.000 0.000 0.252 254 N C 0.937 176.509 175.510 0.103 0.000 1.014 254 N CA 1.881 55.056 53.050 0.208 0.000 0.735 254 N CB -1.306 37.315 38.487 0.222 0.000 0.924 254 N HN 1.036 nan 8.380 nan 0.000 0.540 255 G N -2.484 106.299 108.800 -0.028 0.000 2.234 255 G HA2 -0.273 3.687 3.960 0.000 0.000 0.235 255 G HA3 -0.273 3.687 3.960 0.000 0.000 0.235 255 G C 0.299 174.931 174.900 -0.447 0.000 0.997 255 G CA 0.406 45.347 45.100 -0.264 0.000 0.623 255 G HN 0.733 nan 8.290 nan 0.000 0.514 256 T N 2.221 116.661 114.554 -0.190 0.000 4.219 256 T HA 0.350 4.700 4.350 0.000 0.000 0.263 256 T C 1.365 176.058 174.700 -0.011 0.000 1.217 256 T CA 0.118 62.161 62.100 -0.094 0.000 1.145 256 T CB -0.006 68.858 68.868 -0.007 0.000 1.298 256 T HN 0.390 nan 8.240 nan 0.000 0.999 257 H N 1.207 120.341 119.070 0.107 0.000 2.357 257 H HA 0.196 4.752 4.556 0.000 0.000 0.301 257 H C 0.254 175.724 175.328 0.237 0.000 1.082 257 H CA 0.613 56.743 56.048 0.136 0.000 1.342 257 H CB 0.163 29.999 29.762 0.123 0.000 1.389 257 H HN 0.615 nan 8.280 nan 0.000 0.511 258 F N -0.439 119.602 119.950 0.152 0.000 2.660 258 F HA 0.351 4.878 4.527 0.000 0.000 0.320 258 F C -2.031 173.824 175.800 0.092 0.000 1.099 258 F CA -0.725 57.334 58.000 0.098 0.000 1.061 258 F CB 1.181 40.227 39.000 0.077 0.000 1.300 258 F HN -0.242 nan 8.300 nan 0.000 0.479 259 I N 5.910 126.115 120.570 -0.608 0.000 2.497 259 I HA 0.680 4.850 4.170 0.000 0.000 0.284 259 I C -0.306 175.378 176.117 -0.722 0.000 1.060 259 I CA -0.587 60.351 61.300 -0.603 0.000 1.071 259 I CB 1.748 39.631 38.000 -0.195 0.000 1.216 259 I HN 0.745 nan 8.210 nan 0.000 0.442 260 G N 3.296 111.588 108.800 -0.845 0.000 2.690 260 G HA2 0.820 4.780 3.960 0.000 0.000 0.291 260 G HA3 0.820 4.780 3.960 0.000 0.000 0.291 260 G C -1.375 173.477 174.900 -0.080 0.000 1.403 260 G CA -0.583 44.297 45.100 -0.367 0.000 0.864 260 G HN 0.572 nan 8.290 nan 0.000 0.480 261 S N -1.478 114.270 115.700 0.080 0.000 2.570 261 S HA 0.838 5.308 4.470 0.000 0.000 0.270 261 S C -0.486 174.178 174.600 0.107 0.000 1.149 261 S CA -0.387 57.865 58.200 0.085 0.000 0.837 261 S CB 1.892 65.133 63.200 0.068 0.000 1.124 261 S HN 1.760 nan 8.310 nan 0.000 0.465 262 G N 0.775 109.620 108.800 0.075 0.000 2.626 262 G HA2 0.665 4.625 3.960 0.000 0.000 0.304 262 G HA3 0.665 4.625 3.960 0.000 0.000 0.304 262 G C -1.013 173.877 174.900 -0.017 0.000 1.385 262 G CA -0.751 44.385 45.100 0.059 0.000 0.957 262 G HN 0.745 nan 8.290 nan 0.000 0.504 263 I N 2.054 122.561 120.570 -0.106 0.000 2.441 263 I HA 0.514 4.684 4.170 0.000 0.000 0.295 263 I C -0.543 175.375 176.117 -0.332 0.000 0.994 263 I CA -0.872 60.261 61.300 -0.279 0.000 1.144 263 I CB 2.304 39.995 38.000 -0.515 0.000 1.314 263 I HN 0.143 nan 8.210 nan 0.000 0.445 264 L N 5.448 126.503 121.223 -0.280 0.000 2.439 264 L HA 0.759 5.099 4.340 0.000 0.000 0.270 264 L C -1.036 175.722 176.870 -0.187 0.000 0.972 264 L CA -0.384 54.347 54.840 -0.182 0.000 0.836 264 L CB 1.736 43.776 42.059 -0.031 0.000 1.255 264 L HN 0.757 nan 8.230 nan 0.000 0.404 265 A N 5.152 127.865 122.820 -0.178 0.000 2.319 265 A HA 0.769 5.089 4.320 0.000 0.000 0.310 265 A C -1.551 176.016 177.584 -0.027 0.000 1.152 265 A CA -0.414 51.561 52.037 -0.105 0.000 0.783 265 A CB 1.444 20.389 19.000 -0.092 0.000 1.184 265 A HN 0.475 nan 8.150 nan 0.000 0.474 266 L N 1.273 122.480 121.223 -0.026 0.000 2.322 266 L HA 0.978 5.318 4.340 0.000 0.000 0.269 266 L C 0.561 177.415 176.870 -0.027 0.000 1.012 266 L CA 0.175 55.008 54.840 -0.012 0.000 0.815 266 L CB 1.866 43.916 42.059 -0.014 0.000 1.295 266 L HN 1.298 nan 8.230 nan 0.000 0.438 267 G N 0.968 109.756 108.800 -0.019 0.000 2.322 267 G HA2 0.282 4.242 3.960 0.000 0.000 0.289 267 G HA3 0.282 4.242 3.960 0.000 0.000 0.289 267 G C -1.149 173.742 174.900 -0.015 0.000 1.687 267 G CA -0.327 44.754 45.100 -0.031 0.000 0.944 267 G HN 0.799 nan 8.290 nan 0.000 0.718 268 N N -0.172 118.517 118.700 -0.018 0.000 2.835 268 N HA 0.430 5.170 4.740 0.000 0.000 0.293 268 N C 0.867 176.373 175.510 -0.005 0.000 1.345 268 N CA 0.353 53.399 53.050 -0.005 0.000 0.760 268 N CB 0.523 39.011 38.487 0.001 0.000 1.130 268 N HN 0.528 nan 8.380 nan 0.000 0.441 269 E N -1.713 118.489 120.200 0.003 0.000 2.526 269 E HA 0.102 4.452 4.350 0.000 0.000 0.208 269 E C 0.131 176.741 176.600 0.018 0.000 0.997 269 E CA 0.456 56.860 56.400 0.007 0.000 0.961 269 E CB 0.371 30.076 29.700 0.009 0.000 1.030 269 E HN 0.730 nan 8.360 nan 0.000 0.483 270 T N -2.352 112.215 114.554 0.021 0.000 3.044 270 T HA 0.452 4.802 4.350 0.000 0.000 0.260 270 T C 0.666 175.389 174.700 0.038 0.000 1.019 270 T CA 0.158 62.286 62.100 0.048 0.000 0.921 270 T CB 1.022 69.928 68.868 0.063 0.000 1.053 270 T HN 0.151 nan 8.240 nan 0.000 0.533 271 G N 0.934 109.721 108.800 -0.021 0.000 2.325 271 G HA2 0.504 4.464 3.960 0.000 0.000 0.295 271 G HA3 0.504 4.464 3.960 0.000 0.000 0.295 271 G C -2.437 172.390 174.900 -0.120 0.000 1.274 271 G CA -0.231 44.804 45.100 -0.109 0.000 0.857 271 G HN 0.696 nan 8.290 nan 0.000 0.499 272 D N -2.215 118.069 120.400 -0.194 0.000 2.842 272 D HA 0.460 5.100 4.640 0.000 0.000 0.248 272 D C -1.279 174.911 176.300 -0.183 0.000 1.140 272 D CA -0.409 53.505 54.000 -0.143 0.000 0.728 272 D CB 0.901 41.649 40.800 -0.086 0.000 1.595 272 D HN 1.184 nan 8.370 nan 0.000 0.450 273 I N 0.504 120.995 120.570 -0.131 0.000 2.608 273 I HA 0.772 4.942 4.170 0.000 0.000 0.295 273 I C -2.159 173.913 176.117 -0.075 0.000 1.049 273 I CA -0.996 60.235 61.300 -0.115 0.000 1.063 273 I CB 1.837 39.772 38.000 -0.109 0.000 1.248 273 I HN 0.565 nan 8.210 nan 0.000 0.424 274 L N 7.999 129.185 121.223 -0.061 0.000 2.349 274 L HA 0.643 4.983 4.340 0.000 0.000 0.278 274 L C -1.832 175.011 176.870 -0.046 0.000 0.996 274 L CA -0.524 54.279 54.840 -0.063 0.000 0.825 274 L CB 1.217 43.246 42.059 -0.051 0.000 1.243 274 L HN 0.649 nan 8.230 nan 0.000 0.412 275 L N 5.140 126.329 121.223 -0.056 0.000 2.329 275 L HA 0.969 5.309 4.340 0.000 0.000 0.279 275 L C -0.265 176.575 176.870 -0.049 0.000 1.014 275 L CA -0.620 54.203 54.840 -0.029 0.000 0.814 275 L CB 1.748 43.800 42.059 -0.012 0.000 1.257 275 L HN 0.861 nan 8.230 nan 0.000 0.424 276 A N 2.558 125.366 122.820 -0.020 0.000 2.604 276 A HA 0.932 5.252 4.320 0.000 0.000 0.295 276 A C -1.599 175.993 177.584 0.013 0.000 1.067 276 A CA -0.262 51.760 52.037 -0.025 0.000 0.683 276 A CB 1.955 20.922 19.000 -0.055 0.000 1.281 276 A HN 0.806 nan 8.150 nan 0.000 0.407 277 A N 0.433 123.267 122.820 0.024 0.000 2.549 277 A HA 0.933 5.253 4.320 0.000 0.000 0.297 277 A C -0.364 177.250 177.584 0.050 0.000 1.061 277 A CA 0.178 52.244 52.037 0.048 0.000 0.690 277 A CB 1.372 20.414 19.000 0.069 0.000 1.287 277 A HN 2.378 nan 8.150 nan 0.000 0.402 278 S N 0.792 116.521 115.700 0.048 0.000 2.570 278 S HA 0.873 5.343 4.470 0.000 0.000 0.286 278 S C -1.254 173.367 174.600 0.034 0.000 1.099 278 S CA -0.689 57.525 58.200 0.024 0.000 0.913 278 S CB 2.069 65.261 63.200 -0.012 0.000 1.085 278 S HN 0.614 nan 8.310 nan 0.000 0.480 279 E N 0.867 121.063 120.200 -0.006 0.000 2.246 279 E HA 0.424 4.774 4.350 0.000 0.000 0.266 279 E C -1.218 175.277 176.600 -0.174 0.000 0.880 279 E CA -0.401 56.009 56.400 0.017 0.000 0.762 279 E CB 2.520 32.428 29.700 0.348 0.000 1.180 279 E HN 0.697 nan 8.360 nan 0.000 0.416 280 R N 2.553 122.840 120.500 -0.356 0.000 2.476 280 R HA 0.361 4.701 4.340 0.000 0.000 0.305 280 R C -1.101 174.826 176.300 -0.622 0.000 0.965 280 R CA -0.405 55.459 56.100 -0.393 0.000 0.867 280 R CB 0.802 30.886 30.300 -0.360 0.000 1.176 280 R HN 0.488 nan 8.270 nan 0.000 0.447 281 H N 6.352 125.334 119.070 -0.148 0.000 2.970 281 H HA 0.297 4.853 4.556 0.000 0.000 0.315 281 H C -0.819 174.496 175.328 -0.022 0.000 0.992 281 H CA -0.513 55.509 56.048 -0.043 0.000 1.363 281 H CB 1.329 31.174 29.762 0.139 0.000 1.532 281 H HN 0.339 nan 8.280 nan 0.000 0.514 282 L N 1.720 122.901 121.223 -0.070 0.000 2.342 282 L HA 0.653 4.993 4.340 0.000 0.000 0.271 282 L C 0.882 177.801 176.870 0.082 0.000 1.008 282 L CA -0.939 53.854 54.840 -0.079 0.000 0.818 282 L CB 2.284 44.222 42.059 -0.202 0.000 1.296 282 L HN 0.552 nan 8.230 nan 0.000 0.427 283 G N -0.183 108.595 108.800 -0.036 0.000 2.820 283 G HA2 0.408 4.368 3.960 0.000 0.000 0.291 283 G HA3 0.408 4.368 3.960 0.000 0.000 0.291 283 G C -1.154 173.806 174.900 0.100 0.000 1.323 283 G CA -0.539 44.617 45.100 0.093 0.000 1.055 283 G HN 0.476 nan 8.290 nan 0.000 0.520 284 D N -0.045 120.391 120.400 0.061 0.000 2.414 284 D HA 0.339 4.979 4.640 0.000 0.000 0.242 284 D C -0.412 175.828 176.300 -0.101 0.000 1.129 284 D CA 0.709 54.686 54.000 -0.038 0.000 0.885 284 D CB 0.976 41.701 40.800 -0.126 0.000 1.198 284 D HN 0.376 nan 8.370 nan 0.000 0.437 285 Y N -1.491 118.715 120.300 -0.157 0.000 2.509 285 Y HA 0.617 5.167 4.550 0.000 0.000 0.341 285 Y C -0.866 174.937 175.900 -0.162 0.000 1.038 285 Y CA -1.647 56.381 58.100 -0.120 0.000 1.089 285 Y CB 0.558 39.008 38.460 -0.016 0.000 1.241 285 Y HN 0.256 nan 8.280 nan 0.000 0.468 286 W N 3.604 125.020 121.300 0.193 0.000 2.261 286 W HA 0.532 5.192 4.660 0.000 0.000 0.323 286 W C -2.297 174.382 176.519 0.266 0.000 1.243 286 W CA -1.441 55.984 57.345 0.133 0.000 1.210 286 W CB 0.672 30.199 29.460 0.111 0.000 1.149 286 W HN 0.388 nan 8.180 nan 0.000 0.562 287 P HA 0.277 nan 4.420 nan 0.000 0.284 287 P C 0.172 177.651 177.300 0.299 0.000 1.292 287 P CA -0.550 62.757 63.100 0.346 0.000 0.800 287 P CB 0.511 32.339 31.700 0.213 0.000 1.188 288 G N 0.031 108.987 108.800 0.260 0.000 2.559 288 G HA2 -0.031 3.929 3.960 0.000 0.000 0.235 288 G HA3 -0.031 3.929 3.960 0.000 0.000 0.235 288 G C 0.537 175.550 174.900 0.189 0.000 1.266 288 G CA 0.123 45.361 45.100 0.230 0.000 0.847 288 G HN 0.544 nan 8.290 nan 0.000 0.583 289 N N -1.130 117.662 118.700 0.154 0.000 2.257 289 N HA 0.058 4.798 4.740 0.000 0.000 0.200 289 N C -0.066 175.510 175.510 0.110 0.000 1.163 289 N CA 0.278 53.401 53.050 0.122 0.000 0.891 289 N CB 0.393 38.932 38.487 0.087 0.000 1.067 289 N HN 0.309 nan 8.380 nan 0.000 0.497 290 K N 0.303 120.776 120.400 0.120 0.000 2.259 290 K HA 0.724 5.044 4.320 0.000 0.000 0.252 290 K C 0.231 176.910 176.600 0.132 0.000 0.936 290 K CA -0.600 55.755 56.287 0.112 0.000 0.810 290 K CB 1.447 34.008 32.500 0.102 0.000 1.143 290 K HN 0.170 nan 8.250 nan 0.000 0.427 291 G N 1.966 110.841 108.800 0.124 0.000 2.462 291 G HA2 -0.091 3.869 3.960 0.000 0.000 0.685 291 G HA3 -0.091 3.869 3.960 0.000 0.000 0.685 291 G C -1.714 173.272 174.900 0.142 0.000 1.295 291 G CA -0.913 44.270 45.100 0.138 0.000 0.941 291 G HN 0.447 nan 8.290 nan 0.000 0.554 292 D N -0.369 120.122 120.400 0.152 0.000 2.268 292 D HA 0.798 5.438 4.640 0.000 0.000 0.249 292 D C 1.170 177.579 176.300 0.181 0.000 1.008 292 D CA 0.414 54.513 54.000 0.164 0.000 0.939 292 D CB 1.826 42.713 40.800 0.144 0.000 1.170 292 D HN 0.914 nan 8.370 nan 0.000 0.468 293 I N -3.826 116.862 120.570 0.196 0.000 3.850 293 I HA 0.631 4.801 4.170 0.000 0.000 0.272 293 I C 0.373 176.594 176.117 0.173 0.000 1.109 293 I CA -1.425 59.981 61.300 0.177 0.000 1.282 293 I CB 0.649 38.731 38.000 0.137 0.000 1.337 293 I HN 0.306 nan 8.210 nan 0.000 0.438 294 G N 1.741 110.613 108.800 0.121 0.000 2.113 294 G HA2 -0.121 3.839 3.960 0.000 0.000 0.263 294 G HA3 -0.121 3.839 3.960 0.000 0.000 0.263 294 G C -0.001 175.006 174.900 0.179 0.000 0.954 294 G CA 0.665 45.809 45.100 0.074 0.000 0.996 294 G HN 0.772 nan 8.290 nan 0.000 0.381 295 N N 1.944 120.702 118.700 0.097 0.000 2.454 295 N HA 0.000 4.740 4.740 0.000 0.000 0.177 295 N C 1.933 177.454 175.510 0.018 0.000 1.049 295 N CA 0.131 53.223 53.050 0.070 0.000 0.887 295 N CB 0.134 38.597 38.487 -0.040 0.000 1.095 295 N HN 0.370 nan 8.380 nan 0.000 0.446 296 I N 0.220 120.760 120.570 -0.049 0.000 2.494 296 I HA 0.116 4.286 4.170 0.000 0.000 0.250 296 I C 2.208 178.280 176.117 -0.075 0.000 1.112 296 I CA 0.680 61.928 61.300 -0.088 0.000 1.438 296 I CB -1.062 36.840 38.000 -0.165 0.000 1.111 296 I HN 0.133 nan 8.210 nan 0.000 0.431 297 R N 1.737 122.181 120.500 -0.094 0.000 2.062 297 R HA 0.127 4.467 4.340 0.000 0.000 0.226 297 R C 0.786 177.047 176.300 -0.065 0.000 1.125 297 R CA 1.190 57.226 56.100 -0.107 0.000 0.966 297 R CB -0.531 29.677 30.300 -0.154 0.000 0.861 297 R HN 0.180 nan 8.270 nan 0.000 0.433 298 I N 2.268 122.832 120.570 -0.011 0.000 2.365 298 I HA 0.241 4.411 4.170 0.000 0.000 0.291 298 I C -0.055 176.223 176.117 0.268 0.000 1.004 298 I CA -0.336 60.978 61.300 0.023 0.000 1.311 298 I CB 0.948 38.900 38.000 -0.079 0.000 1.401 298 I HN 0.525 nan 8.210 nan 0.000 0.491 299 N N 4.065 122.948 118.700 0.306 0.000 3.274 299 N HA 0.001 4.741 4.740 0.000 0.000 0.370 299 N C -0.034 175.610 175.510 0.222 0.000 1.316 299 N CA -0.597 52.667 53.050 0.357 0.000 0.854 299 N CB 0.193 38.761 38.487 0.136 0.000 2.158 299 N HN 0.408 nan 8.380 nan 0.000 0.399 300 N N -0.021 118.741 118.700 0.103 0.000 2.848 300 N HA -0.240 4.500 4.740 0.000 0.000 0.236 300 N C -0.731 174.817 175.510 0.063 0.000 0.951 300 N CA 2.318 55.402 53.050 0.057 0.000 1.021 300 N CB -1.474 37.037 38.487 0.041 0.000 1.090 300 N HN 0.798 nan 8.380 nan 0.000 0.611 301 D N -3.058 117.402 120.400 0.100 0.000 3.059 301 D HA -0.209 4.431 4.640 0.000 0.000 0.222 301 D C 0.226 176.542 176.300 0.028 0.000 1.185 301 D CA 1.617 55.644 54.000 0.045 0.000 0.904 301 D CB -1.801 39.014 40.800 0.024 0.000 1.122 301 D HN 0.717 nan 8.370 nan 0.000 0.410 302 T N -3.049 111.546 114.554 0.069 0.000 4.096 302 T HA 0.403 4.753 4.350 0.000 0.000 0.241 302 T C 1.392 176.168 174.700 0.125 0.000 0.869 302 T CA 0.535 62.682 62.100 0.078 0.000 0.909 302 T CB 0.014 68.928 68.868 0.075 0.000 1.260 302 T HN 0.643 nan 8.240 nan 0.000 0.692 303 G N 0.581 109.412 108.800 0.053 0.000 3.302 303 G HA2 -0.046 3.914 3.960 0.000 0.000 0.216 303 G HA3 -0.046 3.914 3.960 0.000 0.000 0.216 303 G C -0.171 174.539 174.900 -0.316 0.000 1.008 303 G CA -0.267 44.843 45.100 0.017 0.000 0.852 303 G HN 0.700 nan 8.290 nan 0.000 0.485 304 N N -1.642 116.875 118.700 -0.305 0.000 4.035 304 N HA -0.133 4.607 4.740 0.000 0.000 0.258 304 N C 0.119 175.411 175.510 -0.363 0.000 2.100 304 N CA 0.701 53.582 53.050 -0.281 0.000 2.541 304 N CB -1.291 37.067 38.487 -0.215 0.000 0.512 304 N HN 0.421 nan 8.380 nan 0.000 0.523 305 Y N 2.812 123.010 120.300 -0.171 0.000 2.030 305 Y HA -0.259 4.291 4.550 0.000 0.000 0.274 305 Y C 1.819 177.693 175.900 -0.044 0.000 1.153 305 Y CA 2.460 60.535 58.100 -0.040 0.000 1.115 305 Y CB -0.053 38.407 38.460 0.000 0.000 0.969 305 Y HN 0.605 nan 8.280 nan 0.000 0.488 306 D N -0.042 120.483 120.400 0.207 0.000 2.149 306 D HA -0.257 4.383 4.640 0.000 0.000 0.194 306 D C 2.303 178.577 176.300 -0.043 0.000 1.001 306 D CA 1.811 55.881 54.000 0.117 0.000 0.849 306 D CB -0.446 40.429 40.800 0.125 0.000 0.939 306 D HN 0.426 nan 8.370 nan 0.000 0.449 307 R N -0.579 119.857 120.500 -0.106 0.000 2.066 307 R HA -0.167 4.173 4.340 0.000 0.000 0.232 307 R C 2.305 178.579 176.300 -0.044 0.000 1.131 307 R CA 1.021 57.059 56.100 -0.102 0.000 0.955 307 R CB -0.224 29.978 30.300 -0.164 0.000 0.851 307 R HN 0.139 nan 8.270 nan 0.000 0.432 308 Y N 0.506 120.732 120.300 -0.123 0.000 2.014 308 Y HA -0.219 4.331 4.550 0.000 0.000 0.270 308 Y C 2.503 178.272 175.900 -0.218 0.000 1.145 308 Y CA 0.929 58.926 58.100 -0.171 0.000 1.106 308 Y CB -1.301 37.031 38.460 -0.213 0.000 0.968 308 Y HN 0.220 nan 8.280 nan 0.000 0.484 309 A N 0.154 122.856 122.820 -0.197 0.000 1.870 309 A HA -0.322 3.998 4.320 0.000 0.000 0.219 309 A C 2.309 179.847 177.584 -0.077 0.000 1.224 309 A CA 2.331 54.212 52.037 -0.261 0.000 0.650 309 A CB -1.067 17.606 19.000 -0.546 0.000 0.836 309 A HN 0.500 nan 8.150 nan 0.000 0.454 310 E N -0.103 120.072 120.200 -0.043 0.000 2.114 310 E HA -0.227 4.123 4.350 0.000 0.000 0.199 310 E C 2.297 178.923 176.600 0.044 0.000 1.008 310 E CA 1.649 58.060 56.400 0.019 0.000 0.810 310 E CB -0.329 29.386 29.700 0.025 0.000 0.739 310 E HN 0.548 nan 8.360 nan 0.000 0.456 311 S N -0.192 115.533 115.700 0.042 0.000 2.368 311 S HA -0.072 4.398 4.470 0.000 0.000 0.224 311 S C 2.192 176.837 174.600 0.075 0.000 1.029 311 S CA 0.878 59.118 58.200 0.065 0.000 0.988 311 S CB -0.205 63.038 63.200 0.071 0.000 0.838 311 S HN 0.321 nan 8.310 nan 0.000 0.462 312 I N 1.048 121.645 120.570 0.046 0.000 2.226 312 I HA -0.163 4.007 4.170 0.000 0.000 0.245 312 I C 2.191 178.382 176.117 0.124 0.000 1.100 312 I CA 1.266 62.611 61.300 0.075 0.000 1.374 312 I CB -0.149 37.865 38.000 0.022 0.000 1.057 312 I HN 0.273 nan 8.210 nan 0.000 0.413 313 K N 0.379 120.842 120.400 0.106 0.000 2.442 313 K HA -0.078 4.242 4.320 0.000 0.000 0.198 313 K C 0.658 177.364 176.600 0.177 0.000 1.044 313 K CA 0.706 57.073 56.287 0.133 0.000 0.948 313 K CB -0.086 32.479 32.500 0.108 0.000 0.762 313 K HN 0.318 nan 8.250 nan 0.000 0.472 314 N N 1.006 119.817 118.700 0.186 0.000 2.416 314 N HA 0.117 4.857 4.740 0.000 0.000 0.267 314 N C -1.071 174.671 175.510 0.386 0.000 1.294 314 N CA 0.036 53.233 53.050 0.245 0.000 0.891 314 N CB 0.581 39.159 38.487 0.152 0.000 1.238 314 N HN 0.107 nan 8.380 nan 0.000 0.508 315 N N 0.596 119.505 118.700 0.349 0.000 2.405 315 N HA 0.165 4.905 4.740 0.000 0.000 0.274 315 N C -0.683 174.751 175.510 -0.127 0.000 1.170 315 N CA -0.458 52.709 53.050 0.195 0.000 0.848 315 N CB 2.236 40.787 38.487 0.107 0.000 1.629 315 N HN -0.085 nan 8.380 nan 0.000 0.481 316 K N 1.167 121.160 120.400 -0.679 0.000 2.524 316 K HA 0.102 4.422 4.320 0.000 0.000 0.279 316 K C 0.351 176.691 176.600 -0.434 0.000 0.993 316 K CA 0.150 55.985 56.287 -0.754 0.000 1.030 316 K CB 0.630 32.606 32.500 -0.874 0.000 0.891 316 K HN 0.386 nan 8.250 nan 0.000 0.488 317 I N 5.846 126.076 120.570 -0.566 0.000 2.494 317 I HA -0.022 4.148 4.170 0.000 0.000 0.289 317 I C -1.454 174.368 176.117 -0.492 0.000 1.106 317 I CA -1.930 59.016 61.300 -0.590 0.000 1.369 317 I CB 0.014 37.493 38.000 -0.868 0.000 1.410 317 I HN 0.375 nan 8.210 nan 0.000 0.523 318 P HA -0.225 nan 4.420 nan 0.000 0.214 318 P C 0.272 177.500 177.300 -0.121 0.000 1.099 318 P CA 1.768 64.783 63.100 -0.142 0.000 0.976 318 P CB 0.222 31.911 31.700 -0.018 0.000 0.774 319 D N -2.617 117.669 120.400 -0.190 0.000 2.943 319 D HA 0.112 4.752 4.640 0.000 0.000 0.347 319 D C 0.679 176.854 176.300 -0.207 0.000 1.305 319 D CA 0.234 54.154 54.000 -0.134 0.000 0.870 319 D CB -0.249 40.481 40.800 -0.117 0.000 1.081 319 D HN 0.212 nan 8.370 nan 0.000 0.492 320 T N -3.350 111.126 114.554 -0.131 0.000 3.081 320 T HA -0.058 4.292 4.350 0.000 0.000 0.255 320 T C 1.164 175.946 174.700 0.136 0.000 1.113 320 T CA 0.032 62.118 62.100 -0.024 0.000 1.082 320 T CB -0.163 68.706 68.868 0.000 0.000 0.939 320 T HN 0.341 nan 8.240 nan 0.000 0.506 321 H N 1.071 120.197 119.070 0.093 0.000 2.732 321 H HA 0.425 4.981 4.556 0.000 0.000 0.351 321 H C -0.506 174.954 175.328 0.220 0.000 1.090 321 H CA -0.546 55.584 56.048 0.137 0.000 1.431 321 H CB 0.242 30.064 29.762 0.100 0.000 1.447 321 H HN 0.515 nan 8.280 nan 0.000 0.582 322 Y N 0.510 120.842 120.300 0.052 0.000 2.705 322 Y HA 0.564 5.114 4.550 0.000 0.000 0.332 322 Y C -1.359 174.532 175.900 -0.015 0.000 1.221 322 Y CA -1.593 56.486 58.100 -0.036 0.000 1.059 322 Y CB 1.293 39.683 38.460 -0.116 0.000 1.298 322 Y HN 0.877 nan 8.280 nan 0.000 0.459 323 R N 2.454 122.937 120.500 -0.028 0.000 2.628 323 R HA 0.831 5.171 4.340 0.000 0.000 0.288 323 R C -1.511 174.617 176.300 -0.286 0.000 0.980 323 R CA -0.976 54.928 56.100 -0.327 0.000 0.891 323 R CB 2.433 32.608 30.300 -0.208 0.000 1.188 323 R HN 1.028 nan 8.270 nan 0.000 0.450 324 M N 1.211 120.503 119.600 -0.513 0.000 2.378 324 M HA 0.472 4.952 4.480 0.000 0.000 0.289 324 M C -1.713 174.274 176.300 -0.521 0.000 1.136 324 M CA -0.800 54.281 55.300 -0.366 0.000 0.917 324 M CB 2.728 35.296 32.600 -0.054 0.000 1.669 324 M HN 0.657 nan 8.290 nan 0.000 0.461 325 H N 1.710 120.738 119.070 -0.069 0.000 2.685 325 H HA 0.474 5.030 4.556 0.000 0.000 0.307 325 H C -0.972 174.338 175.328 -0.030 0.000 1.017 325 H CA -0.737 55.289 56.048 -0.036 0.000 1.237 325 H CB 1.442 31.204 29.762 0.001 0.000 1.409 325 H HN 0.760 nan 8.280 nan 0.000 0.488 326 S N 3.437 119.169 115.700 0.053 0.000 2.585 326 S HA 0.487 4.957 4.470 0.000 0.000 0.277 326 S C 0.346 174.971 174.600 0.042 0.000 1.241 326 S CA -0.849 57.364 58.200 0.020 0.000 1.041 326 S CB 1.163 64.353 63.200 -0.018 0.000 0.987 326 S HN 0.485 nan 8.310 nan 0.000 0.512 327 R N 1.649 122.166 120.500 0.028 0.000 2.533 327 R HA 0.492 4.832 4.340 0.000 0.000 0.288 327 R C -1.789 174.537 176.300 0.043 0.000 1.039 327 R CA -0.739 55.395 56.100 0.058 0.000 0.909 327 R CB 1.574 31.937 30.300 0.106 0.000 1.195 327 R HN 0.442 nan 8.270 nan 0.000 0.438 328 L N 1.576 122.828 121.223 0.049 0.000 2.386 328 L HA 0.858 5.198 4.340 0.000 0.000 0.271 328 L C -1.326 175.589 176.870 0.074 0.000 0.993 328 L CA -0.599 54.264 54.840 0.039 0.000 0.819 328 L CB 2.094 44.155 42.059 0.004 0.000 1.294 328 L HN 0.811 nan 8.230 nan 0.000 0.414 329 A N 4.493 127.379 122.820 0.111 0.000 2.437 329 A HA 0.785 5.105 4.320 0.000 0.000 0.293 329 A C -1.246 176.392 177.584 0.090 0.000 1.038 329 A CA -0.669 51.428 52.037 0.099 0.000 0.708 329 A CB 1.103 20.181 19.000 0.130 0.000 1.251 329 A HN 0.627 nan 8.150 nan 0.000 0.409 330 K N 1.301 121.724 120.400 0.037 0.000 2.443 330 K HA 0.659 4.980 4.320 0.000 0.000 0.252 330 K C -1.476 175.104 176.600 -0.032 0.000 0.933 330 K CA -0.650 55.651 56.287 0.023 0.000 0.792 330 K CB 2.739 35.244 32.500 0.009 0.000 1.185 330 K HN 0.382 nan 8.250 nan 0.000 0.425 331 V N 1.788 121.673 119.914 -0.048 0.000 2.483 331 V HA 0.588 4.708 4.120 0.000 0.000 0.297 331 V C -0.100 175.820 176.094 -0.289 0.000 1.027 331 V CA -0.768 61.401 62.300 -0.219 0.000 0.855 331 V CB 1.833 33.502 31.823 -0.256 0.000 0.995 331 V HN 0.928 nan 8.190 nan 0.000 0.424 332 G N 3.843 112.417 108.800 -0.377 0.000 2.495 332 G HA2 0.641 4.601 3.960 0.000 0.000 0.318 332 G HA3 0.641 4.601 3.960 0.000 0.000 0.318 332 G C -1.310 173.406 174.900 -0.306 0.000 1.257 332 G CA -0.487 44.497 45.100 -0.193 0.000 0.962 332 G HN 0.547 nan 8.290 nan 0.000 0.483 333 W N 1.699 123.026 121.300 0.045 0.000 2.475 333 W HA 0.330 4.990 4.660 0.000 0.000 0.317 333 W C -0.562 175.982 176.519 0.040 0.000 1.046 333 W CA -0.913 56.461 57.345 0.049 0.000 1.215 333 W CB 1.975 31.476 29.460 0.069 0.000 1.335 333 W HN 0.301 nan 8.180 nan 0.000 0.471 334 N N 2.838 121.661 118.700 0.204 0.000 2.438 334 N HA 0.493 5.233 4.740 0.000 0.000 0.282 334 N C -0.791 174.807 175.510 0.146 0.000 1.037 334 N CA -0.389 52.741 53.050 0.134 0.000 0.942 334 N CB 1.849 40.376 38.487 0.067 0.000 1.136 334 N HN 0.099 nan 8.380 nan 0.000 0.481 335 L N 2.646 123.941 121.223 0.121 0.000 2.350 335 L HA 0.595 4.935 4.340 0.000 0.000 0.260 335 L C -2.041 174.872 176.870 0.073 0.000 1.015 335 L CA -2.049 52.857 54.840 0.111 0.000 0.821 335 L CB 1.490 43.631 42.059 0.136 0.000 1.370 335 L HN 0.340 nan 8.230 nan 0.000 0.416 336 P HA 0.190 nan 4.420 nan 0.000 0.271 336 P C -0.174 177.147 177.300 0.034 0.000 1.228 336 P CA 0.839 63.964 63.100 0.041 0.000 0.797 336 P CB 0.208 31.932 31.700 0.040 0.000 0.914 337 A N 0.629 123.459 122.820 0.017 0.000 6.048 337 A HA -0.276 4.044 4.320 0.000 0.000 0.289 337 A C 0.650 178.230 177.584 -0.007 0.000 1.956 337 A CA 1.326 53.362 52.037 -0.001 0.000 0.733 337 A CB -1.908 17.090 19.000 -0.004 0.000 1.204 337 A HN 0.631 nan 8.150 nan 0.000 0.387 338 N N 0.966 119.648 118.700 -0.028 0.000 3.301 338 N HA 0.369 5.109 4.740 0.000 0.000 0.289 338 N C -0.599 174.881 175.510 -0.051 0.000 1.343 338 N CA 0.265 53.292 53.050 -0.039 0.000 1.136 338 N CB -0.158 38.295 38.487 -0.058 0.000 1.402 338 N HN 0.495 nan 8.380 nan 0.000 0.516 339 Q N 0.800 120.593 119.800 -0.013 0.000 2.282 339 Q HA 0.443 4.783 4.340 0.000 0.000 0.260 339 Q C -0.627 175.389 176.000 0.028 0.000 0.964 339 Q CA -0.657 55.142 55.803 -0.006 0.000 0.880 339 Q CB 2.497 31.297 28.738 0.103 0.000 1.286 339 Q HN 0.250 nan 8.270 nan 0.000 0.445 340 R N 2.818 123.312 120.500 -0.009 0.000 2.514 340 R HA 0.440 4.780 4.340 0.000 0.000 0.296 340 R C -1.588 174.793 176.300 0.135 0.000 1.012 340 R CA -0.375 55.763 56.100 0.064 0.000 0.897 340 R CB 0.984 31.282 30.300 -0.004 0.000 1.184 340 R HN 0.565 nan 8.270 nan 0.000 0.440 341 L N 3.571 124.946 121.223 0.254 0.000 2.309 341 L HA 0.515 4.855 4.340 0.000 0.000 0.282 341 L C -0.329 176.709 176.870 0.280 0.000 1.036 341 L CA -0.647 54.329 54.840 0.226 0.000 0.806 341 L CB 1.805 44.037 42.059 0.288 0.000 1.220 341 L HN 0.598 nan 8.230 nan 0.000 0.429 342 Q N 3.160 123.020 119.800 0.100 0.000 2.285 342 Q HA 0.530 4.870 4.340 0.000 0.000 0.269 342 Q C -1.750 174.360 176.000 0.184 0.000 1.030 342 Q CA -0.578 55.315 55.803 0.149 0.000 0.788 342 Q CB 2.457 31.217 28.738 0.037 0.000 1.266 342 Q HN 0.588 nan 8.270 nan 0.000 0.438 343 L N 2.487 123.886 121.223 0.293 0.000 2.282 343 L HA 0.591 4.931 4.340 0.000 0.000 0.288 343 L C -0.725 176.266 176.870 0.201 0.000 1.033 343 L CA -0.476 54.547 54.840 0.305 0.000 0.807 343 L CB 1.858 44.149 42.059 0.387 0.000 1.209 343 L HN 0.607 nan 8.230 nan 0.000 0.423 344 S N 2.561 118.384 115.700 0.205 0.000 2.532 344 S HA 0.556 5.026 4.470 0.000 0.000 0.299 344 S C -1.346 173.394 174.600 0.233 0.000 1.105 344 S CA -0.652 57.647 58.200 0.163 0.000 1.018 344 S CB 1.757 65.016 63.200 0.098 0.000 1.021 344 S HN 0.450 nan 8.310 nan 0.000 0.483 345 Y N 2.976 123.318 120.300 0.069 0.000 2.386 345 Y HA 0.691 5.241 4.550 0.000 0.000 0.334 345 Y C -1.801 174.122 175.900 0.038 0.000 1.002 345 Y CA -1.142 56.998 58.100 0.066 0.000 1.068 345 Y CB 1.056 39.560 38.460 0.073 0.000 1.203 345 Y HN 0.639 nan 8.280 nan 0.000 0.443 346 L N 6.870 127.743 121.223 -0.584 0.000 2.376 346 L HA 0.536 4.876 4.340 0.000 0.000 0.275 346 L C -1.422 175.049 176.870 -0.665 0.000 0.987 346 L CA -0.390 54.173 54.840 -0.462 0.000 0.828 346 L CB 1.869 43.789 42.059 -0.232 0.000 1.249 346 L HN 0.760 nan 8.230 nan 0.000 0.409 347 Q N 3.225 122.747 119.800 -0.463 0.000 2.330 347 Q HA 0.626 4.966 4.340 0.000 0.000 0.269 347 Q C -1.515 174.409 176.000 -0.126 0.000 1.022 347 Q CA -0.508 55.125 55.803 -0.283 0.000 0.796 347 Q CB 1.929 30.615 28.738 -0.086 0.000 1.271 347 Q HN 0.700 nan 8.270 nan 0.000 0.450 348 T N 2.599 117.079 114.554 -0.122 0.000 2.906 348 T HA 0.255 4.605 4.350 0.000 0.000 0.302 348 T C -1.376 173.264 174.700 -0.101 0.000 1.002 348 T CA -0.495 61.555 62.100 -0.084 0.000 0.988 348 T CB 1.451 70.266 68.868 -0.089 0.000 0.972 348 T HN 0.739 nan 8.240 nan 0.000 0.447 349 Q N 3.981 123.759 119.800 -0.037 0.000 2.325 349 Q HA 0.555 4.895 4.340 0.000 0.000 0.262 349 Q C -1.061 174.923 176.000 -0.028 0.000 0.968 349 Q CA -0.500 55.276 55.803 -0.046 0.000 0.877 349 Q CB 1.111 29.867 28.738 0.030 0.000 1.253 349 Q HN 0.695 nan 8.270 nan 0.000 0.448 350 T N 2.105 116.547 114.554 -0.186 0.000 2.856 350 T HA 0.823 5.173 4.350 0.000 0.000 0.283 350 T C -1.198 173.421 174.700 -0.135 0.000 1.008 350 T CA -0.600 61.401 62.100 -0.164 0.000 0.997 350 T CB 1.650 70.335 68.868 -0.305 0.000 0.992 350 T HN 0.670 nan 8.240 nan 0.000 0.454 351 A N 1.717 124.522 122.820 -0.024 0.000 2.449 351 A HA 0.909 5.229 4.320 0.000 0.000 0.302 351 A C -0.483 177.047 177.584 -0.090 0.000 1.048 351 A CA -0.784 51.243 52.037 -0.017 0.000 0.708 351 A CB 1.881 20.988 19.000 0.178 0.000 1.274 351 A HN 0.834 nan 8.150 nan 0.000 0.410 352 S N 1.568 117.003 115.700 -0.441 0.000 2.565 352 S HA 0.772 5.242 4.470 0.000 0.000 0.274 352 S C -3.349 170.566 174.600 -1.141 0.000 1.144 352 S CA -0.863 56.986 58.200 -0.585 0.000 0.849 352 S CB 1.765 64.781 63.200 -0.306 0.000 1.103 352 S HN 0.382 nan 8.310 nan 0.000 0.455 353 P HA 0.481 nan 4.420 nan 0.000 0.274 353 P C -0.967 176.141 177.300 -0.318 0.000 1.237 353 P CA -0.371 62.440 63.100 -0.482 0.000 0.793 353 P CB 0.284 31.922 31.700 -0.104 0.000 0.977 354 I N 0.677 121.134 120.570 -0.188 0.000 2.377 354 I HA 0.569 4.740 4.170 0.000 0.000 0.293 354 I C 0.452 176.540 176.117 -0.047 0.000 0.987 354 I CA -0.892 60.332 61.300 -0.127 0.000 1.185 354 I CB 1.571 39.500 38.000 -0.119 0.000 1.341 354 I HN 0.272 nan 8.210 nan 0.000 0.455 355 A N 4.242 127.038 122.820 -0.040 0.000 2.282 355 A HA 0.828 5.148 4.320 0.000 0.000 0.319 355 A C 0.364 177.999 177.584 0.084 0.000 1.121 355 A CA -0.304 51.746 52.037 0.022 0.000 0.836 355 A CB 0.869 19.838 19.000 -0.052 0.000 1.146 355 A HN 0.821 nan 8.150 nan 0.000 0.494 356 G N -0.453 108.431 108.800 0.139 0.000 2.535 356 G HA2 0.479 4.439 3.960 0.000 0.000 0.282 356 G HA3 0.479 4.439 3.960 0.000 0.000 0.282 356 G C 0.493 175.488 174.900 0.159 0.000 1.350 356 G CA 0.346 45.521 45.100 0.124 0.000 1.039 356 G HN 1.173 nan 8.290 nan 0.000 0.509 357 T N -1.986 112.584 114.554 0.025 0.000 2.701 357 T HA 0.317 4.667 4.350 0.000 0.000 0.303 357 T C 0.346 174.982 174.700 -0.106 0.000 1.030 357 T CA -0.607 61.472 62.100 -0.036 0.000 1.010 357 T CB 0.828 69.591 68.868 -0.176 0.000 1.007 357 T HN 0.391 nan 8.240 nan 0.000 0.532 358 L N 1.300 122.379 121.223 -0.240 0.000 2.410 358 L HA 0.534 4.874 4.340 0.000 0.000 0.273 358 L C 0.405 176.983 176.870 -0.488 0.000 1.144 358 L CA 1.091 55.532 54.840 -0.666 0.000 0.863 358 L CB 0.128 41.845 42.059 -0.570 0.000 1.140 358 L HN 1.122 nan 8.230 nan 0.000 0.463 359 T N 3.536 117.766 114.554 -0.541 0.000 2.661 359 T HA 0.384 4.734 4.350 0.000 0.000 0.305 359 T C -1.443 173.004 174.700 -0.422 0.000 1.441 359 T CA -0.843 61.018 62.100 -0.398 0.000 0.999 359 T CB 0.845 69.548 68.868 -0.274 0.000 1.650 359 T HN 0.773 nan 8.240 nan 0.000 0.489 360 N N 2.418 120.887 118.700 -0.384 0.000 2.479 360 N HA 0.309 5.049 4.740 0.000 0.000 0.285 360 N C 0.623 176.006 175.510 -0.212 0.000 1.075 360 N CA -0.581 52.237 53.050 -0.386 0.000 0.967 360 N CB 1.466 39.556 38.487 -0.663 0.000 1.137 360 N HN 0.565 nan 8.380 nan 0.000 0.472 361 L N 0.359 121.524 121.223 -0.097 0.000 2.556 361 L HA 0.239 4.579 4.340 0.000 0.000 0.226 361 L C 1.538 178.450 176.870 0.070 0.000 1.089 361 L CA -0.061 54.768 54.840 -0.019 0.000 0.864 361 L CB -0.106 41.941 42.059 -0.020 0.000 1.067 361 L HN 0.624 nan 8.230 nan 0.000 0.477 362 G N -0.331 108.590 108.800 0.203 0.000 2.509 362 G HA2 0.347 4.307 3.960 0.000 0.000 0.269 362 G HA3 0.347 4.307 3.960 0.000 0.000 0.269 362 G C 0.545 175.614 174.900 0.282 0.000 1.416 362 G CA 0.390 45.633 45.100 0.238 0.000 1.052 362 G HN 0.005 nan 8.290 nan 0.000 0.542 363 T N -1.009 113.668 114.554 0.206 0.000 3.115 363 T HA 0.268 4.618 4.350 0.000 0.000 0.256 363 T C 0.829 175.601 174.700 0.119 0.000 0.970 363 T CA -0.006 62.220 62.100 0.209 0.000 1.010 363 T CB 0.415 69.336 68.868 0.088 0.000 1.151 363 T HN 0.265 nan 8.240 nan 0.000 0.479 364 R N 1.671 122.102 120.500 -0.115 0.000 2.599 364 R HA 0.505 4.845 4.340 0.000 0.000 0.295 364 R C -2.942 173.048 176.300 -0.516 0.000 0.963 364 R CA -2.034 53.894 56.100 -0.287 0.000 0.883 364 R CB 1.405 31.626 30.300 -0.131 0.000 1.171 364 R HN 0.096 nan 8.270 nan 0.000 0.450 365 P HA 0.001 nan 4.420 nan 0.000 0.269 365 P C -2.352 174.793 177.300 -0.257 0.000 1.205 365 P CA -0.647 62.121 63.100 -0.554 0.000 0.780 365 P CB -0.074 31.419 31.700 -0.345 0.000 0.858 366 P HA 0.165 nan 4.420 nan 0.000 0.276 366 P C -0.581 176.673 177.300 -0.077 0.000 1.243 366 P CA 0.016 63.048 63.100 -0.112 0.000 0.768 366 P CB 0.110 31.788 31.700 -0.036 0.000 0.856 367 Y N 1.054 121.408 120.300 0.091 0.000 2.223 367 Y HA 0.325 4.875 4.550 0.000 0.000 0.352 367 Y C 1.242 177.210 175.900 0.114 0.000 1.293 367 Y CA 0.448 58.598 58.100 0.084 0.000 1.601 367 Y CB 0.394 38.903 38.460 0.081 0.000 1.407 367 Y HN 0.323 nan 8.280 nan 0.000 0.639 368 E N 0.237 120.573 120.200 0.228 0.000 2.292 368 E HA 0.401 4.751 4.350 0.000 0.000 0.272 368 E C -2.091 174.443 176.600 -0.111 0.000 0.881 368 E CA -0.811 55.650 56.400 0.102 0.000 0.754 368 E CB 1.427 31.169 29.700 0.069 0.000 1.201 368 E HN 0.394 nan 8.360 nan 0.000 0.425 369 L N 3.524 124.594 121.223 -0.254 0.000 2.257 369 L HA 0.794 5.134 4.340 0.000 0.000 0.290 369 L C 0.364 176.983 176.870 -0.417 0.000 1.044 369 L CA 0.594 55.137 54.840 -0.494 0.000 0.810 369 L CB 0.787 42.387 42.059 -0.764 0.000 1.193 369 L HN 0.649 nan 8.230 nan 0.000 0.425 370 G N 3.204 111.710 108.800 -0.491 0.000 2.827 370 G HA2 0.362 4.322 3.960 0.000 0.000 0.202 370 G HA3 0.362 4.322 3.960 0.000 0.000 0.202 370 G C -1.812 172.690 174.900 -0.664 0.000 1.185 370 G CA -0.431 44.376 45.100 -0.488 0.000 0.920 370 G HN 0.339 nan 8.290 nan 0.000 0.550 371 W N 1.055 122.301 121.300 -0.089 0.000 2.998 371 W HA 0.529 5.189 4.660 0.000 0.000 0.335 371 W C -0.561 175.930 176.519 -0.047 0.000 1.110 371 W CA -0.661 56.637 57.345 -0.078 0.000 1.230 371 W CB 2.275 31.685 29.460 -0.083 0.000 1.405 371 W HN 0.325 nan 8.180 nan 0.000 0.493 372 K N 1.330 121.831 120.400 0.168 0.000 2.106 372 K HA 0.524 4.844 4.320 0.000 0.000 0.246 372 K C -0.078 176.611 176.600 0.148 0.000 0.987 372 K CA -1.076 55.286 56.287 0.125 0.000 0.904 372 K CB 2.123 34.669 32.500 0.076 0.000 1.071 372 K HN 0.279 nan 8.250 nan 0.000 0.453 373 R N 1.261 121.850 120.500 0.149 0.000 2.239 373 R HA 0.062 4.402 4.340 0.000 0.000 0.332 373 R C 0.631 177.060 176.300 0.214 0.000 0.988 373 R CA -0.102 56.103 56.100 0.176 0.000 0.859 373 R CB 0.626 31.064 30.300 0.229 0.000 1.148 373 R HN 0.863 nan 8.270 nan 0.000 0.482 374 T N 0.393 115.020 114.554 0.120 0.000 3.023 374 T HA 0.245 4.595 4.350 0.000 0.000 0.266 374 T C 0.826 175.463 174.700 -0.104 0.000 1.093 374 T CA 0.697 62.842 62.100 0.075 0.000 1.129 374 T CB 0.247 69.148 68.868 0.055 0.000 0.899 374 T HN 0.666 nan 8.240 nan 0.000 0.491 375 G N -0.711 107.921 108.800 -0.280 0.000 2.335 375 G HA2 0.428 4.388 3.960 0.000 0.000 0.291 375 G HA3 0.428 4.388 3.960 0.000 0.000 0.291 375 G C -2.348 172.289 174.900 -0.437 0.000 1.261 375 G CA -0.914 43.652 45.100 -0.890 0.000 0.871 375 G HN 0.246 nan 8.290 nan 0.000 0.491 376 Y N -0.212 119.786 120.300 -0.504 0.000 2.504 376 Y HA 0.678 5.228 4.550 0.000 0.000 0.344 376 Y C -0.473 175.337 175.900 -0.151 0.000 1.023 376 Y CA -0.404 57.572 58.100 -0.206 0.000 1.020 376 Y CB 2.694 41.110 38.460 -0.074 0.000 1.282 376 Y HN 0.609 nan 8.280 nan 0.000 0.454 377 T N 4.726 119.101 114.554 -0.298 0.000 2.824 377 T HA 0.243 4.593 4.350 0.000 0.000 0.282 377 T C -1.814 172.810 174.700 -0.126 0.000 0.993 377 T CA -0.604 61.400 62.100 -0.160 0.000 0.967 377 T CB 0.883 69.650 68.868 -0.168 0.000 0.960 377 T HN 0.487 nan 8.240 nan 0.000 0.441 378 D N 2.815 123.189 120.400 -0.045 0.000 2.492 378 D HA 0.477 5.117 4.640 0.000 0.000 0.248 378 D C -1.123 175.083 176.300 -0.156 0.000 1.101 378 D CA -0.355 53.612 54.000 -0.054 0.000 0.840 378 D CB 1.682 42.510 40.800 0.045 0.000 1.209 378 D HN 0.216 nan 8.370 nan 0.000 0.524 379 V N 4.658 124.397 119.914 -0.291 0.000 2.487 379 V HA 0.417 4.537 4.120 0.000 0.000 0.298 379 V C 0.180 176.055 176.094 -0.364 0.000 1.028 379 V CA -0.743 61.296 62.300 -0.435 0.000 0.860 379 V CB 1.793 33.088 31.823 -0.879 0.000 0.991 379 V HN 0.568 nan 8.190 nan 0.000 0.427 380 M N 3.980 123.419 119.600 -0.268 0.000 2.205 380 M HA 0.654 5.134 4.480 0.000 0.000 0.344 380 M C -0.179 175.986 176.300 -0.225 0.000 1.085 380 M CA -0.329 54.854 55.300 -0.194 0.000 1.001 380 M CB 1.506 34.048 32.600 -0.098 0.000 1.626 380 M HN 0.775 nan 8.290 nan 0.000 0.442 381 A N 6.015 128.708 122.820 -0.212 0.000 2.285 381 A HA 0.710 5.030 4.320 0.000 0.000 0.310 381 A C -0.481 176.998 177.584 -0.176 0.000 1.266 381 A CA -0.716 51.199 52.037 -0.202 0.000 0.832 381 A CB 0.880 19.764 19.000 -0.194 0.000 1.163 381 A HN 0.857 nan 8.150 nan 0.000 0.499 382 R N 2.431 122.832 120.500 -0.165 0.000 2.514 382 R HA 0.493 4.833 4.340 0.000 0.000 0.301 382 R C -1.083 175.090 176.300 -0.210 0.000 0.962 382 R CA -0.667 55.328 56.100 -0.176 0.000 0.882 382 R CB 1.722 32.025 30.300 0.006 0.000 1.143 382 R HN 0.769 nan 8.270 nan 0.000 0.452 383 N N 0.930 119.460 118.700 -0.284 0.000 2.295 383 N HA 0.509 5.249 4.740 0.000 0.000 0.293 383 N C -1.534 173.955 175.510 -0.036 0.000 1.040 383 N CA -0.505 52.451 53.050 -0.157 0.000 0.840 383 N CB 2.474 40.860 38.487 -0.168 0.000 1.468 383 N HN 0.588 nan 8.380 nan 0.000 0.478 384 A N 0.984 123.908 122.820 0.174 0.000 2.398 384 A HA 0.862 5.182 4.320 0.000 0.000 0.301 384 A C -1.287 176.489 177.584 0.320 0.000 1.041 384 A CA -0.578 51.653 52.037 0.323 0.000 0.711 384 A CB 1.456 20.727 19.000 0.451 0.000 1.240 384 A HN 0.681 nan 8.150 nan 0.000 0.420 385 A N 1.284 124.281 122.820 0.294 0.000 2.486 385 A HA 0.778 5.098 4.320 0.000 0.000 0.300 385 A C -1.506 176.282 177.584 0.338 0.000 1.048 385 A CA -0.422 51.799 52.037 0.306 0.000 0.696 385 A CB 1.071 20.188 19.000 0.194 0.000 1.278 385 A HN 1.764 nan 8.150 nan 0.000 0.405 386 F N 2.387 122.458 119.950 0.201 0.000 2.445 386 F HA 0.529 5.056 4.527 0.000 0.000 0.348 386 F C -0.974 174.934 175.800 0.180 0.000 1.125 386 F CA -0.527 57.582 58.000 0.182 0.000 0.983 386 F CB 1.178 40.272 39.000 0.156 0.000 1.198 386 F HN 0.531 nan 8.300 nan 0.000 0.436 387 D N 4.915 125.090 120.400 -0.376 0.000 2.198 387 D HA 0.234 4.874 4.640 0.000 0.000 0.247 387 D C -1.750 174.288 176.300 -0.435 0.000 1.010 387 D CA 0.000 53.815 54.000 -0.309 0.000 0.880 387 D CB 2.337 43.058 40.800 -0.131 0.000 1.209 387 D HN 0.611 nan 8.370 nan 0.000 0.451 388 Y N 0.788 120.861 120.300 -0.378 0.000 2.433 388 Y HA 0.330 4.880 4.550 0.000 0.000 0.337 388 Y C -1.265 174.554 175.900 -0.134 0.000 1.026 388 Y CA -0.727 57.228 58.100 -0.240 0.000 1.037 388 Y CB 1.432 39.803 38.460 -0.148 0.000 1.245 388 Y HN 0.300 nan 8.280 nan 0.000 0.443 389 S N 5.855 121.135 115.700 -0.699 0.000 2.548 389 S HA 0.792 5.262 4.470 0.000 0.000 0.286 389 S C -1.947 172.237 174.600 -0.693 0.000 1.098 389 S CA -0.837 57.011 58.200 -0.587 0.000 0.930 389 S CB 2.221 65.235 63.200 -0.310 0.000 1.070 389 S HN 0.894 nan 8.310 nan 0.000 0.480 390 L N 1.721 122.715 121.223 -0.381 0.000 2.518 390 L HA 0.797 5.137 4.340 0.000 0.000 0.262 390 L C -0.641 176.166 176.870 -0.104 0.000 0.982 390 L CA -0.198 54.519 54.840 -0.204 0.000 0.873 390 L CB 1.243 43.270 42.059 -0.053 0.000 1.198 390 L HN 1.050 nan 8.230 nan 0.000 0.427 391 A N 5.586 128.337 122.820 -0.116 0.000 3.204 391 A HA 0.718 5.038 4.320 0.000 0.000 0.327 391 A C -2.652 174.866 177.584 -0.110 0.000 0.998 391 A CA -1.191 50.779 52.037 -0.112 0.000 0.891 391 A CB -0.331 18.605 19.000 -0.107 0.000 1.061 391 A HN 0.511 nan 8.150 nan 0.000 0.478 392 P HA 0.143 nan 4.420 nan 0.000 0.263 392 P C -0.000 177.231 177.300 -0.114 0.000 1.195 392 P CA 0.326 63.359 63.100 -0.112 0.000 0.762 392 P CB 0.339 31.956 31.700 -0.139 0.000 0.799 393 E N 2.727 122.881 120.200 -0.077 0.000 2.465 393 E HA -0.019 4.331 4.350 0.000 0.000 0.260 393 E C -0.103 176.458 176.600 -0.065 0.000 0.980 393 E CA -0.131 56.230 56.400 -0.064 0.000 0.927 393 E CB -0.177 29.497 29.700 -0.043 0.000 0.934 393 E HN 0.339 nan 8.360 nan 0.000 0.459 394 D N 0.812 121.175 120.400 -0.061 0.000 2.704 394 D HA -0.141 4.499 4.640 0.000 0.000 0.186 394 D C -0.702 175.553 176.300 -0.075 0.000 0.957 394 D CA 1.121 55.094 54.000 -0.045 0.000 1.011 394 D CB -1.041 39.745 40.800 -0.023 0.000 1.064 394 D HN 0.340 nan 8.370 nan 0.000 0.453 395 V N 2.302 122.118 119.914 -0.164 0.000 2.334 395 V HA 0.206 4.326 4.120 0.000 0.000 0.267 395 V C 1.057 176.940 176.094 -0.352 0.000 1.040 395 V CA -0.257 61.842 62.300 -0.336 0.000 0.866 395 V CB 1.627 33.109 31.823 -0.569 0.000 1.019 395 V HN -0.059 nan 8.190 nan 0.000 0.468 396 D N 3.927 124.205 120.400 -0.203 0.000 2.213 396 D HA -0.075 4.565 4.640 0.000 0.000 0.205 396 D C 1.843 178.156 176.300 0.022 0.000 0.961 396 D CA 0.848 54.829 54.000 -0.031 0.000 0.853 396 D CB 0.146 41.017 40.800 0.120 0.000 0.967 396 D HN 0.861 nan 8.370 nan 0.000 0.496 397 W N 0.775 122.119 121.300 0.072 0.000 3.077 397 W HA 0.230 4.890 4.660 0.000 0.000 0.245 397 W C -0.190 176.372 176.519 0.071 0.000 1.316 397 W CA -0.318 57.068 57.345 0.068 0.000 1.537 397 W CB -0.280 29.191 29.460 0.019 0.000 1.131 397 W HN -0.151 nan 8.180 nan 0.000 0.695 398 L N 3.043 124.038 121.223 -0.380 0.000 2.454 398 L HA 0.391 4.731 4.340 0.000 0.000 0.258 398 L C -1.712 175.057 176.870 -0.170 0.000 1.025 398 L CA -0.586 54.051 54.840 -0.338 0.000 0.901 398 L CB 0.925 42.504 42.059 -0.800 0.000 1.210 398 L HN -0.120 nan 8.230 nan 0.000 0.457 399 D N 4.123 124.499 120.400 -0.040 0.000 2.400 399 D HA 0.200 4.840 4.640 0.000 0.000 0.272 399 D C -1.465 174.846 176.300 0.018 0.000 1.220 399 D CA -0.113 53.865 54.000 -0.036 0.000 0.897 399 D CB 0.310 41.080 40.800 -0.049 0.000 1.134 399 D HN 0.227 nan 8.370 nan 0.000 0.507 400 F N 2.708 122.586 119.950 -0.118 0.000 2.422 400 F HA 0.522 5.050 4.527 0.000 0.000 0.333 400 F C -0.580 175.147 175.800 -0.122 0.000 1.095 400 F CA -0.298 57.650 58.000 -0.087 0.000 1.038 400 F CB 1.107 40.090 39.000 -0.029 0.000 1.156 400 F HN 0.246 nan 8.300 nan 0.000 0.483 401 Q N 4.614 123.862 119.800 -0.921 0.000 2.418 401 Q HA 0.873 5.213 4.340 0.000 0.000 0.282 401 Q C -2.092 173.416 176.000 -0.819 0.000 1.044 401 Q CA -1.444 53.919 55.803 -0.732 0.000 0.813 401 Q CB 2.187 30.709 28.738 -0.362 0.000 1.428 401 Q HN 0.884 nan 8.270 nan 0.000 0.402 402 A N 1.185 123.756 122.820 -0.415 0.000 2.587 402 A HA 0.855 5.175 4.320 0.000 0.000 0.293 402 A C -1.685 175.910 177.584 0.018 0.000 1.087 402 A CA -0.743 51.206 52.037 -0.146 0.000 0.692 402 A CB 2.360 21.399 19.000 0.064 0.000 1.291 402 A HN 0.659 nan 8.150 nan 0.000 0.407 403 K N 0.555 121.037 120.400 0.137 0.000 2.525 403 K HA 0.670 4.990 4.320 0.000 0.000 0.254 403 K C -2.241 174.571 176.600 0.353 0.000 0.934 403 K CA -0.519 55.901 56.287 0.222 0.000 0.802 403 K CB 1.522 34.137 32.500 0.192 0.000 1.295 403 K HN 0.467 nan 8.250 nan 0.000 0.433 404 L N 5.161 126.637 121.223 0.422 0.000 2.349 404 L HA 0.544 4.884 4.340 0.000 0.000 0.278 404 L C -1.303 175.829 176.870 0.436 0.000 0.996 404 L CA -0.440 54.631 54.840 0.385 0.000 0.825 404 L CB 1.107 43.370 42.059 0.339 0.000 1.243 404 L HN 0.651 nan 8.230 nan 0.000 0.412 405 Y N 2.247 122.695 120.300 0.248 0.000 2.588 405 Y HA 0.726 5.276 4.550 0.000 0.000 0.343 405 Y C -1.701 174.353 175.900 0.256 0.000 1.065 405 Y CA -1.608 56.626 58.100 0.224 0.000 1.038 405 Y CB 1.636 40.183 38.460 0.144 0.000 1.297 405 Y HN 0.511 nan 8.280 nan 0.000 0.467 406 Y N 2.112 122.516 120.300 0.174 0.000 2.354 406 Y HA 0.711 5.261 4.550 0.000 0.000 0.330 406 Y C -2.074 173.853 175.900 0.044 0.000 1.011 406 Y CA -1.050 57.044 58.100 -0.010 0.000 1.099 406 Y CB 1.809 40.260 38.460 -0.014 0.000 1.179 406 Y HN 0.690 nan 8.280 nan 0.000 0.442 407 V N 5.338 124.908 119.914 -0.574 0.000 2.448 407 V HA 0.343 4.463 4.120 0.000 0.000 0.295 407 V C -1.155 174.531 176.094 -0.680 0.000 1.025 407 V CA -0.628 61.395 62.300 -0.461 0.000 0.859 407 V CB 1.614 33.362 31.823 -0.126 0.000 0.988 407 V HN 0.770 nan 8.190 nan 0.000 0.431 408 D N 2.948 123.024 120.400 -0.540 0.000 2.378 408 D HA 0.275 4.915 4.640 0.000 0.000 0.265 408 D C -0.266 175.925 176.300 -0.181 0.000 1.229 408 D CA -0.106 53.673 54.000 -0.368 0.000 0.914 408 D CB 1.403 42.014 40.800 -0.315 0.000 1.140 408 D HN 0.619 nan 8.370 nan 0.000 0.516 409 T N 1.853 116.326 114.554 -0.135 0.000 2.767 409 T HA 0.485 4.835 4.350 0.000 0.000 0.284 409 T C -0.724 173.873 174.700 -0.171 0.000 0.973 409 T CA -0.573 61.409 62.100 -0.197 0.000 0.996 409 T CB 1.147 69.849 68.868 -0.276 0.000 0.927 409 T HN 0.367 nan 8.240 nan 0.000 0.456 410 Q N 3.885 123.554 119.800 -0.217 0.000 2.304 410 Q HA 0.370 4.710 4.340 0.000 0.000 0.270 410 Q C -1.788 174.118 176.000 -0.157 0.000 1.035 410 Q CA -0.806 54.939 55.803 -0.096 0.000 0.781 410 Q CB 1.677 30.403 28.738 -0.020 0.000 1.261 410 Q HN 0.665 nan 8.270 nan 0.000 0.444 411 D N 3.139 123.518 120.400 -0.036 0.000 2.303 411 D HA 0.247 4.887 4.640 0.000 0.000 0.236 411 D C -1.238 175.078 176.300 0.027 0.000 1.068 411 D CA -0.133 53.853 54.000 -0.025 0.000 0.830 411 D CB 1.234 42.122 40.800 0.147 0.000 1.109 411 D HN 0.519 nan 8.370 nan 0.000 0.496 412 D N 2.629 123.023 120.400 -0.009 0.000 2.441 412 D HA 0.220 4.860 4.640 0.000 0.000 0.231 412 D C -0.729 175.574 176.300 0.006 0.000 1.073 412 D CA -0.289 53.719 54.000 0.012 0.000 0.850 412 D CB 1.361 42.168 40.800 0.012 0.000 1.062 412 D HN 0.094 nan 8.370 nan 0.000 0.524 413 S N 1.632 117.332 115.700 -0.001 0.000 2.552 413 S HA 0.292 4.762 4.470 0.000 0.000 0.314 413 S C -0.718 173.827 174.600 -0.091 0.000 1.099 413 S CA -0.876 57.300 58.200 -0.040 0.000 1.070 413 S CB 1.597 64.769 63.200 -0.047 0.000 0.998 413 S HN 0.264 nan 8.310 nan 0.000 0.474 414 D N 2.015 122.346 120.400 -0.116 0.000 2.225 414 D HA 0.383 5.023 4.640 0.000 0.000 0.248 414 D C -0.489 175.566 176.300 -0.407 0.000 1.096 414 D CA 0.074 53.954 54.000 -0.200 0.000 0.863 414 D CB 0.966 41.716 40.800 -0.085 0.000 1.156 414 D HN 0.226 nan 8.370 nan 0.000 0.450 415 T N 2.358 116.598 114.554 -0.524 0.000 2.821 415 T HA 0.216 4.566 4.350 0.000 0.000 0.307 415 T C -0.242 174.269 174.700 -0.314 0.000 1.034 415 T CA -0.505 61.252 62.100 -0.573 0.000 0.953 415 T CB -0.173 68.134 68.868 -0.935 0.000 0.968 415 T HN 0.197 nan 8.240 nan 0.000 0.462 416 Y N 2.021 122.271 120.300 -0.083 0.000 2.578 416 Y HA 0.165 4.715 4.550 0.000 0.000 0.339 416 Y C 1.611 177.526 175.900 0.025 0.000 1.231 416 Y CA -0.955 57.135 58.100 -0.016 0.000 1.461 416 Y CB 0.457 38.926 38.460 0.015 0.000 1.323 416 Y HN 0.590 nan 8.280 nan 0.000 0.590 417 S N -0.026 115.806 115.700 0.221 0.000 2.549 417 S HA -0.029 4.441 4.470 0.000 0.000 0.283 417 S C 1.176 175.857 174.600 0.136 0.000 1.320 417 S CA -0.221 58.080 58.200 0.169 0.000 1.058 417 S CB 1.273 64.553 63.200 0.134 0.000 0.882 417 S HN 0.885 nan 8.310 nan 0.000 0.498 418 T N -0.065 114.562 114.554 0.123 0.000 2.867 418 T HA 0.025 4.375 4.350 0.000 0.000 0.268 418 T C 0.863 175.602 174.700 0.064 0.000 1.057 418 T CA 0.769 62.922 62.100 0.089 0.000 1.136 418 T CB -0.712 68.198 68.868 0.070 0.000 0.874 418 T HN 1.030 nan 8.240 nan 0.000 0.466 419 S N 0.701 116.437 115.700 0.061 0.000 2.482 419 S HA 0.524 4.994 4.470 0.000 0.000 0.303 419 S C 0.993 175.617 174.600 0.041 0.000 1.091 419 S CA -0.169 58.057 58.200 0.045 0.000 1.057 419 S CB 2.017 65.240 63.200 0.038 0.000 1.031 419 S HN 0.378 nan 8.310 nan 0.000 0.485 420 S N 2.753 118.471 115.700 0.030 0.000 2.555 420 S HA 0.059 4.529 4.470 0.000 0.000 0.230 420 S C 1.136 175.749 174.600 0.021 0.000 0.978 420 S CA 0.229 58.442 58.200 0.022 0.000 0.934 420 S CB -0.758 62.450 63.200 0.014 0.000 0.766 420 S HN 0.721 nan 8.310 nan 0.000 0.533 421 L N 0.199 121.437 121.223 0.025 0.000 2.607 421 L HA 0.380 4.720 4.340 0.000 0.000 0.228 421 L C 0.581 177.468 176.870 0.028 0.000 1.123 421 L CA -0.013 54.841 54.840 0.023 0.000 0.890 421 L CB 0.069 42.141 42.059 0.022 0.000 1.103 421 L HN 0.289 nan 8.230 nan 0.000 0.468 422 L N -0.560 120.684 121.223 0.036 0.000 2.267 422 L HA 0.348 4.688 4.340 0.000 0.000 0.264 422 L C -0.311 176.589 176.870 0.050 0.000 1.021 422 L CA 0.105 54.971 54.840 0.043 0.000 0.861 422 L CB 1.599 43.688 42.059 0.050 0.000 1.443 422 L HN -0.117 nan 8.230 nan 0.000 0.475 423 D N -0.810 119.626 120.400 0.059 0.000 2.673 423 D HA 0.017 4.657 4.640 0.000 0.000 0.278 423 D C 0.523 176.880 176.300 0.094 0.000 1.393 423 D CA -0.086 53.955 54.000 0.068 0.000 0.805 423 D CB 0.107 40.940 40.800 0.055 0.000 1.110 423 D HN 0.487 nan 8.370 nan 0.000 0.476 424 N N -0.153 118.611 118.700 0.107 0.000 2.416 424 N HA 0.084 4.824 4.740 0.000 0.000 0.215 424 N C 0.618 176.271 175.510 0.239 0.000 1.208 424 N CA -0.265 52.868 53.050 0.138 0.000 0.834 424 N CB -0.193 38.362 38.487 0.114 0.000 1.072 424 N HN 0.091 nan 8.380 nan 0.000 0.472 425 G N 0.020 108.953 108.800 0.221 0.000 2.507 425 G HA2 0.461 4.422 3.960 0.000 0.000 0.271 425 G HA3 0.461 4.422 3.960 0.000 0.000 0.271 425 G C -1.072 174.024 174.900 0.326 0.000 1.189 425 G CA -0.584 44.666 45.100 0.250 0.000 0.859 425 G HN 0.475 nan 8.290 nan 0.000 0.542 426 Y N -2.144 118.200 120.300 0.074 0.000 2.592 426 Y HA 0.710 5.260 4.550 0.000 0.000 0.334 426 Y C -0.315 175.613 175.900 0.047 0.000 1.136 426 Y CA -1.665 56.468 58.100 0.056 0.000 1.042 426 Y CB 1.011 39.498 38.460 0.045 0.000 1.325 426 Y HN 0.785 nan 8.280 nan 0.000 0.457 427 A N 1.574 124.456 122.820 0.103 0.000 2.305 427 A HA 0.696 5.016 4.320 0.000 0.000 0.322 427 A C -0.496 177.157 177.584 0.115 0.000 1.187 427 A CA -0.253 51.801 52.037 0.029 0.000 0.825 427 A CB 1.046 20.075 19.000 0.048 0.000 1.164 427 A HN 0.985 nan 8.150 nan 0.000 0.498 428 T N 1.942 116.536 114.554 0.066 0.000 2.890 428 T HA 0.472 4.822 4.350 0.000 0.000 0.295 428 T C -0.511 174.235 174.700 0.076 0.000 0.993 428 T CA -0.665 61.504 62.100 0.115 0.000 0.979 428 T CB 0.456 69.436 68.868 0.186 0.000 0.967 428 T HN 0.804 nan 8.240 nan 0.000 0.441 429 R N 3.326 123.874 120.500 0.079 0.000 2.297 429 R HA 0.598 4.938 4.340 0.000 0.000 0.308 429 R C -0.816 175.540 176.300 0.094 0.000 1.029 429 R CA -0.322 55.825 56.100 0.077 0.000 0.929 429 R CB 1.134 31.475 30.300 0.068 0.000 1.046 429 R HN 0.696 nan 8.270 nan 0.000 0.461 430 T N 3.812 118.441 114.554 0.124 0.000 2.928 430 T HA 0.416 4.766 4.350 0.000 0.000 0.296 430 T C -1.294 173.560 174.700 0.256 0.000 1.000 430 T CA -0.813 61.377 62.100 0.150 0.000 0.989 430 T CB 0.910 69.853 68.868 0.125 0.000 1.005 430 T HN 0.763 nan 8.240 nan 0.000 0.442 431 R N 4.043 124.672 120.500 0.215 0.000 2.604 431 R HA 0.718 5.058 4.340 0.000 0.000 0.281 431 R C -2.148 174.282 176.300 0.218 0.000 1.020 431 R CA -0.891 55.355 56.100 0.244 0.000 0.899 431 R CB 1.667 32.055 30.300 0.146 0.000 1.205 431 R HN 0.554 nan 8.270 nan 0.000 0.450 432 L N 3.828 125.220 121.223 0.281 0.000 2.376 432 L HA 0.564 4.904 4.340 0.000 0.000 0.275 432 L C -1.053 175.880 176.870 0.104 0.000 0.987 432 L CA -0.303 54.651 54.840 0.191 0.000 0.828 432 L CB 1.651 43.837 42.059 0.213 0.000 1.249 432 L HN 0.631 nan 8.230 nan 0.000 0.409 433 R N 2.433 122.983 120.500 0.083 0.000 2.532 433 R HA 0.802 5.143 4.340 0.000 0.000 0.295 433 R C -0.921 175.369 176.300 -0.016 0.000 0.968 433 R CA -0.613 55.465 56.100 -0.035 0.000 0.916 433 R CB 1.867 32.205 30.300 0.064 0.000 1.124 433 R HN 0.619 nan 8.270 nan 0.000 0.463 434 T N 2.593 117.034 114.554 -0.189 0.000 2.841 434 T HA 0.345 4.695 4.350 0.000 0.000 0.285 434 T C -1.228 173.363 174.700 -0.181 0.000 0.991 434 T CA -0.629 61.452 62.100 -0.031 0.000 0.966 434 T CB 0.636 69.538 68.868 0.057 0.000 0.962 434 T HN 0.313 nan 8.240 nan 0.000 0.438 435 Y N 1.367 121.783 120.300 0.193 0.000 2.369 435 Y HA 0.612 5.162 4.550 0.000 0.000 0.337 435 Y C 0.833 176.732 175.900 -0.002 0.000 0.961 435 Y CA -0.744 57.438 58.100 0.137 0.000 1.186 435 Y CB 1.501 40.087 38.460 0.210 0.000 1.139 435 Y HN 0.859 nan 8.280 nan 0.000 0.494 436 G N 1.242 109.835 108.800 -0.345 0.000 2.482 436 G HA2 0.782 4.742 3.960 0.000 0.000 0.317 436 G HA3 0.782 4.742 3.960 0.000 0.000 0.317 436 G C -1.531 173.257 174.900 -0.186 0.000 1.241 436 G CA -1.007 43.754 45.100 -0.566 0.000 0.967 436 G HN 0.764 nan 8.290 nan 0.000 0.482 437 A N 1.651 124.599 122.820 0.213 0.000 2.459 437 A HA 0.792 5.112 4.320 0.000 0.000 0.296 437 A C -0.586 177.208 177.584 0.349 0.000 1.039 437 A CA -0.698 51.514 52.037 0.292 0.000 0.698 437 A CB 1.573 20.727 19.000 0.257 0.000 1.261 437 A HN 0.969 nan 8.150 nan 0.000 0.405 438 Q N 0.774 120.763 119.800 0.316 0.000 2.421 438 Q HA 0.855 5.195 4.340 0.000 0.000 0.280 438 Q C -0.905 175.203 176.000 0.180 0.000 1.085 438 Q CA -1.000 54.964 55.803 0.268 0.000 0.807 438 Q CB 2.567 31.464 28.738 0.265 0.000 1.405 438 Q HN 1.707 nan 8.270 nan 0.000 0.419 439 A N 2.060 124.972 122.820 0.152 0.000 2.579 439 A HA 0.390 4.710 4.320 0.000 0.000 0.288 439 A C -1.155 176.458 177.584 0.049 0.000 1.079 439 A CA -0.673 51.398 52.037 0.057 0.000 0.889 439 A CB 1.138 20.263 19.000 0.208 0.000 1.439 439 A HN 0.758 nan 8.150 nan 0.000 0.399 440 Q N 1.015 120.774 119.800 -0.068 0.000 2.378 440 Q HA 0.821 5.161 4.340 0.000 0.000 0.276 440 Q C -0.750 175.194 176.000 -0.092 0.000 1.083 440 Q CA -1.098 54.698 55.803 -0.013 0.000 0.856 440 Q CB 1.917 30.757 28.738 0.169 0.000 1.383 440 Q HN 0.496 nan 8.270 nan 0.000 0.458 441 N N 0.140 118.733 118.700 -0.178 0.000 2.425 441 N HA 0.242 4.982 4.740 0.000 0.000 0.289 441 N C -1.814 173.465 175.510 -0.385 0.000 1.074 441 N CA -0.294 52.647 53.050 -0.182 0.000 0.905 441 N CB 2.451 40.915 38.487 -0.038 0.000 1.586 441 N HN 0.781 nan 8.380 nan 0.000 0.490 442 T N 0.316 114.788 114.554 -0.136 0.000 2.867 442 T HA 0.685 5.035 4.350 0.000 0.000 0.282 442 T C -0.616 174.127 174.700 0.072 0.000 1.000 442 T CA -0.477 61.599 62.100 -0.040 0.000 1.042 442 T CB 0.922 69.795 68.868 0.008 0.000 0.973 442 T HN 0.256 nan 8.240 nan 0.000 0.465 443 S N 2.563 118.386 115.700 0.206 0.000 2.664 443 S HA 0.409 4.879 4.470 0.000 0.000 0.262 443 S C -0.107 174.736 174.600 0.405 0.000 1.229 443 S CA -0.828 57.558 58.200 0.310 0.000 1.151 443 S CB 0.513 63.946 63.200 0.388 0.000 1.054 443 S HN 0.687 nan 8.310 nan 0.000 0.483 444 R N 2.175 122.870 120.500 0.325 0.000 2.490 444 R HA 0.663 5.003 4.340 0.000 0.000 0.280 444 R C -0.442 176.159 176.300 0.502 0.000 1.077 444 R CA -0.105 56.204 56.100 0.350 0.000 1.065 444 R CB 0.488 30.901 30.300 0.189 0.000 1.003 444 R HN 0.670 nan 8.270 nan 0.000 0.470 445 F N -2.098 117.972 119.950 0.200 0.000 2.746 445 F HA 0.470 4.997 4.527 0.000 0.000 0.311 445 F C -1.535 174.417 175.800 0.253 0.000 1.135 445 F CA -1.038 57.076 58.000 0.190 0.000 0.954 445 F CB 1.274 40.366 39.000 0.152 0.000 1.276 445 F HN 0.294 nan 8.300 nan 0.000 0.440 446 S N 2.026 117.825 115.700 0.165 0.000 2.568 446 S HA 0.688 5.158 4.470 0.000 0.000 0.302 446 S C -0.453 174.254 174.600 0.178 0.000 1.082 446 S CA -0.597 57.676 58.200 0.121 0.000 1.009 446 S CB 1.999 65.275 63.200 0.127 0.000 1.069 446 S HN 0.682 nan 8.310 nan 0.000 0.500 447 L N 1.333 122.682 121.223 0.211 0.000 2.858 447 L HA 0.665 5.006 4.340 0.000 0.000 0.251 447 L C 0.365 177.340 176.870 0.175 0.000 1.149 447 L CA 0.453 55.412 54.840 0.199 0.000 0.955 447 L CB -0.032 42.147 42.059 0.199 0.000 1.289 447 L HN 0.879 nan 8.230 nan 0.000 0.542 448 A N -2.079 120.820 122.820 0.132 0.000 2.550 448 A HA 0.530 4.850 4.320 0.000 0.000 0.295 448 A C -2.226 175.335 177.584 -0.038 0.000 1.001 448 A CA -0.562 51.482 52.037 0.012 0.000 0.660 448 A CB -0.184 18.763 19.000 -0.090 0.000 1.308 448 A HN -0.112 nan 8.150 nan 0.000 0.426 449 P HA -0.097 nan 4.420 nan 0.000 0.219 449 P C 1.079 178.352 177.300 -0.045 0.000 1.145 449 P CA 2.426 65.504 63.100 -0.037 0.000 0.813 449 P CB 0.266 31.942 31.700 -0.040 0.000 0.771 450 G N -3.457 105.285 108.800 -0.096 0.000 4.008 450 G HA2 0.053 4.013 3.960 0.000 0.000 0.278 450 G HA3 0.053 4.013 3.960 0.000 0.000 0.278 450 G C -0.461 174.519 174.900 0.134 0.000 1.021 450 G CA -0.129 44.947 45.100 -0.040 0.000 0.833 450 G HN 0.320 nan 8.290 nan 0.000 0.454 451 H N 1.710 120.850 119.070 0.116 0.000 2.724 451 H HA 0.305 4.861 4.556 0.000 0.000 0.278 451 H C -0.955 174.406 175.328 0.054 0.000 1.159 451 H CA -0.893 55.255 56.048 0.167 0.000 1.254 451 H CB 1.099 30.995 29.762 0.224 0.000 1.412 451 H HN 0.052 nan 8.280 nan 0.000 0.488 452 D N 3.222 123.672 120.400 0.083 0.000 2.193 452 D HA 0.203 4.843 4.640 0.000 0.000 0.244 452 D C -0.454 175.706 176.300 -0.232 0.000 1.064 452 D CA -0.151 53.835 54.000 -0.023 0.000 0.845 452 D CB 1.219 42.017 40.800 -0.003 0.000 1.148 452 D HN 0.273 nan 8.370 nan 0.000 0.464 453 F N 0.755 120.549 119.950 -0.260 0.000 2.532 453 F HA 0.454 4.981 4.527 0.000 0.000 0.321 453 F C 0.634 176.382 175.800 -0.086 0.000 1.089 453 F CA -0.968 56.858 58.000 -0.288 0.000 0.926 453 F CB 1.922 40.410 39.000 -0.852 0.000 1.168 453 F HN -0.056 nan 8.300 nan 0.000 0.459 454 R N 1.905 122.549 120.500 0.240 0.000 2.439 454 R HA 0.838 5.178 4.340 0.000 0.000 0.310 454 R C -1.499 175.003 176.300 0.336 0.000 0.955 454 R CA -0.664 55.598 56.100 0.270 0.000 0.853 454 R CB 1.413 31.809 30.300 0.159 0.000 1.171 454 R HN 0.809 nan 8.270 nan 0.000 0.449 455 A N 3.705 126.769 122.820 0.407 0.000 2.303 455 A HA 0.412 4.732 4.320 0.000 0.000 0.320 455 A C -1.100 176.696 177.584 0.354 0.000 1.192 455 A CA -0.739 51.549 52.037 0.419 0.000 0.821 455 A CB 1.184 20.478 19.000 0.491 0.000 1.188 455 A HN 0.741 nan 8.150 nan 0.000 0.492 456 N N 1.482 120.386 118.700 0.339 0.000 2.461 456 N HA 0.615 5.355 4.740 0.000 0.000 0.284 456 N C -1.380 174.380 175.510 0.418 0.000 1.049 456 N CA -0.400 52.793 53.050 0.238 0.000 0.889 456 N CB 0.795 39.401 38.487 0.198 0.000 1.365 456 N HN 0.564 nan 8.380 nan 0.000 0.499 457 Y N 0.875 121.319 120.300 0.241 0.000 2.581 457 Y HA 0.966 5.516 4.550 0.000 0.000 0.345 457 Y C 0.322 176.003 175.900 -0.365 0.000 1.036 457 Y CA -1.031 57.036 58.100 -0.054 0.000 1.042 457 Y CB 1.370 39.806 38.460 -0.040 0.000 1.289 457 Y HN 0.598 nan 8.280 nan 0.000 0.471 458 G N 0.630 108.879 108.800 -0.919 0.000 2.336 458 G HA2 0.510 4.470 3.960 0.000 0.000 0.286 458 G HA3 0.510 4.470 3.960 0.000 0.000 0.286 458 G C -2.494 171.994 174.900 -0.687 0.000 1.269 458 G CA -0.473 44.221 45.100 -0.676 0.000 0.873 458 G HN 1.352 nan 8.290 nan 0.000 0.494 459 L N -2.567 118.561 121.223 -0.158 0.000 2.513 459 L HA 0.945 5.285 4.340 0.000 0.000 0.261 459 L C -0.889 176.140 176.870 0.266 0.000 0.945 459 L CA -0.804 54.082 54.840 0.076 0.000 0.848 459 L CB 2.271 44.386 42.059 0.094 0.000 1.334 459 L HN 0.798 nan 8.230 nan 0.000 0.407 460 E N 2.001 122.413 120.200 0.354 0.000 2.227 460 E HA 0.707 5.057 4.350 0.000 0.000 0.268 460 E C -2.086 174.783 176.600 0.448 0.000 0.907 460 E CA -0.803 55.830 56.400 0.389 0.000 0.786 460 E CB 2.155 32.082 29.700 0.379 0.000 1.191 460 E HN 0.673 nan 8.360 nan 0.000 0.411 461 F N 4.764 124.889 119.950 0.293 0.000 2.588 461 F HA 0.415 4.942 4.527 0.000 0.000 0.318 461 F C -1.970 174.039 175.800 0.349 0.000 1.155 461 F CA -0.539 57.620 58.000 0.264 0.000 0.967 461 F CB 1.083 40.189 39.000 0.177 0.000 1.236 461 F HN 0.452 nan 8.300 nan 0.000 0.455 462 Y N 4.346 124.354 120.300 -0.486 0.000 2.477 462 Y HA 0.654 5.204 4.550 0.000 0.000 0.347 462 Y C -2.253 173.353 175.900 -0.490 0.000 0.981 462 Y CA -2.324 55.581 58.100 -0.324 0.000 1.033 462 Y CB 0.917 39.343 38.460 -0.057 0.000 1.245 462 Y HN 0.612 nan 8.280 nan 0.000 0.455 463 Y N 3.260 123.456 120.300 -0.172 0.000 2.338 463 Y HA 0.472 5.022 4.550 0.000 0.000 0.328 463 Y C -1.138 174.848 175.900 0.145 0.000 0.965 463 Y CA -0.995 57.063 58.100 -0.069 0.000 1.208 463 Y CB 0.897 39.443 38.460 0.144 0.000 1.132 463 Y HN 0.755 nan 8.280 nan 0.000 0.469 464 D N 5.381 125.716 120.400 -0.109 0.000 2.308 464 D HA 0.190 4.830 4.640 0.000 0.000 0.251 464 D C -0.804 175.438 176.300 -0.097 0.000 1.127 464 D CA -0.078 53.919 54.000 -0.005 0.000 0.876 464 D CB 1.503 42.291 40.800 -0.021 0.000 1.176 464 D HN 0.503 nan 8.370 nan 0.000 0.446 465 K N 1.094 121.576 120.400 0.136 0.000 2.535 465 K HA 0.600 4.920 4.320 0.000 0.000 0.253 465 K C -1.266 175.413 176.600 0.133 0.000 0.953 465 K CA -0.702 55.691 56.287 0.177 0.000 0.863 465 K CB 1.174 33.946 32.500 0.452 0.000 1.111 465 K HN 0.366 nan 8.250 nan 0.000 0.431 466 A N 2.811 125.672 122.820 0.068 0.000 2.310 466 A HA 0.662 4.982 4.320 0.000 0.000 0.299 466 A C -0.630 176.997 177.584 0.072 0.000 1.147 466 A CA -0.369 51.700 52.037 0.054 0.000 0.818 466 A CB 0.705 19.709 19.000 0.006 0.000 1.096 466 A HN 0.770 nan 8.150 nan 0.000 0.495 467 T N -0.934 113.666 114.554 0.077 0.000 2.956 467 T HA 0.702 5.052 4.350 0.000 0.000 0.312 467 T C -0.651 174.093 174.700 0.073 0.000 1.151 467 T CA -0.627 61.521 62.100 0.080 0.000 1.024 467 T CB 1.551 70.479 68.868 0.101 0.000 1.140 467 T HN 0.957 nan 8.240 nan 0.000 0.473 468 S N 1.163 116.901 115.700 0.063 0.000 2.562 468 S HA 0.607 5.077 4.470 0.000 0.000 0.274 468 S C -2.116 172.518 174.600 0.057 0.000 1.160 468 S CA -0.741 57.495 58.200 0.061 0.000 0.933 468 S CB 1.078 64.307 63.200 0.048 0.000 1.100 468 S HN 1.110 nan 8.310 nan 0.000 0.468 469 D N 1.336 121.773 120.400 0.062 0.000 2.490 469 D HA 0.808 5.448 4.640 0.000 0.000 0.232 469 D C -0.516 175.826 176.300 0.070 0.000 1.053 469 D CA -0.555 53.480 54.000 0.059 0.000 0.914 469 D CB 1.939 42.773 40.800 0.056 0.000 1.431 469 D HN 0.389 nan 8.370 nan 0.000 0.483 470 S N -0.699 115.042 115.700 0.069 0.000 2.671 470 S HA 0.528 4.998 4.470 0.000 0.000 0.277 470 S C -0.165 174.489 174.600 0.089 0.000 1.165 470 S CA -0.137 58.123 58.200 0.099 0.000 0.822 470 S CB 1.158 64.423 63.200 0.108 0.000 1.150 470 S HN 0.749 nan 8.310 nan 0.000 0.479 471 S N 0.734 116.513 115.700 0.132 0.000 2.540 471 S HA 0.397 4.867 4.470 0.000 0.000 0.218 471 S C 0.480 175.113 174.600 0.055 0.000 0.977 471 S CA -0.404 57.858 58.200 0.104 0.000 0.918 471 S CB -0.096 63.185 63.200 0.134 0.000 0.806 471 S HN 0.567 nan 8.310 nan 0.000 0.496 472 R N 1.334 121.819 120.500 -0.025 0.000 2.457 472 R HA 0.346 4.686 4.340 0.000 0.000 0.284 472 R C 1.057 177.292 176.300 -0.108 0.000 1.024 472 R CA -0.644 55.344 56.100 -0.186 0.000 1.025 472 R CB 0.539 30.508 30.300 -0.552 0.000 1.063 472 R HN 0.194 nan 8.270 nan 0.000 0.493 473 Q N 0.942 120.683 119.800 -0.097 0.000 1.978 473 Q HA -0.194 4.146 4.340 0.000 0.000 0.211 473 Q C 1.547 177.513 176.000 -0.056 0.000 1.013 473 Q CA 2.509 58.276 55.803 -0.059 0.000 0.869 473 Q CB -0.413 28.292 28.738 -0.055 0.000 0.953 473 Q HN 0.911 nan 8.270 nan 0.000 0.415 474 G N -1.031 107.722 108.800 -0.080 0.000 3.233 474 G HA2 0.062 4.022 3.960 0.000 0.000 0.234 474 G HA3 0.062 4.022 3.960 0.000 0.000 0.234 474 G C 1.203 176.064 174.900 -0.066 0.000 1.137 474 G CA -0.224 44.836 45.100 -0.067 0.000 0.763 474 G HN 0.081 nan 8.290 nan 0.000 0.549 475 M N 0.728 120.285 119.600 -0.072 0.000 2.229 475 M HA -0.025 4.455 4.480 0.000 0.000 0.264 475 M C 2.193 178.494 176.300 0.002 0.000 1.063 475 M CA 0.994 56.271 55.300 -0.038 0.000 1.114 475 M CB -0.596 31.994 32.600 -0.015 0.000 1.387 475 M HN 0.357 nan 8.290 nan 0.000 0.420 476 E N -0.409 119.796 120.200 0.008 0.000 2.208 476 E HA -0.194 4.156 4.350 0.000 0.000 0.202 476 E C 1.674 178.283 176.600 0.016 0.000 1.014 476 E CA 1.442 57.855 56.400 0.022 0.000 0.819 476 E CB -0.443 29.270 29.700 0.021 0.000 0.735 476 E HN 0.631 nan 8.360 nan 0.000 0.469 477 G N -0.439 108.362 108.800 0.001 0.000 3.324 477 G HA2 0.116 4.076 3.960 0.000 0.000 0.251 477 G HA3 0.116 4.076 3.960 0.000 0.000 0.251 477 G C 1.275 176.169 174.900 -0.009 0.000 1.072 477 G CA -0.269 44.832 45.100 0.001 0.000 0.787 477 G HN 0.074 nan 8.290 nan 0.000 0.537 478 V N 1.207 121.111 119.914 -0.017 0.000 2.490 478 V HA -0.164 3.956 4.120 0.000 0.000 0.250 478 V C 2.998 179.095 176.094 0.004 0.000 1.061 478 V CA 2.512 64.799 62.300 -0.022 0.000 1.064 478 V CB -0.573 31.236 31.823 -0.023 0.000 0.670 478 V HN 0.392 nan 8.190 nan 0.000 0.461 479 T N -0.148 114.408 114.554 0.003 0.000 2.770 479 T HA 0.019 4.369 4.350 0.000 0.000 0.258 479 T C -0.806 173.889 174.700 -0.009 0.000 1.039 479 T CA 1.413 63.509 62.100 -0.006 0.000 1.143 479 T CB -0.693 68.162 68.868 -0.022 0.000 0.866 479 T HN 0.493 nan 8.240 nan 0.000 0.428 480 P HA 0.609 nan 4.420 nan 0.000 0.231 480 P C -1.385 175.917 177.300 0.004 0.000 1.164 480 P CA 0.004 63.104 63.100 -0.000 0.000 0.760 480 P CB 0.778 32.480 31.700 0.003 0.000 1.586 481 A N -1.248 121.576 122.820 0.006 0.000 2.512 481 A HA 0.693 5.013 4.320 0.000 0.000 0.294 481 A C -0.473 177.118 177.584 0.011 0.000 1.054 481 A CA 0.131 52.178 52.037 0.017 0.000 0.756 481 A CB 0.613 19.632 19.000 0.032 0.000 1.293 481 A HN 0.625 nan 8.150 nan 0.000 0.395 482 G N 1.199 110.002 108.800 0.005 0.000 2.393 482 G HA2 0.639 4.599 3.960 0.000 0.000 0.264 482 G HA3 0.639 4.599 3.960 0.000 0.000 0.264 482 G C -1.484 173.397 174.900 -0.032 0.000 1.221 482 G CA 0.096 45.191 45.100 -0.008 0.000 0.912 482 G HN 1.968 nan 8.290 nan 0.000 0.483 483 N N -1.119 117.524 118.700 -0.094 0.000 2.331 483 N HA 0.684 5.424 4.740 0.000 0.000 0.280 483 N C -1.016 174.306 175.510 -0.313 0.000 1.155 483 N CA -0.866 52.039 53.050 -0.242 0.000 0.822 483 N CB 2.502 40.828 38.487 -0.269 0.000 1.619 483 N HN 0.700 nan 8.380 nan 0.000 0.476 484 R N 0.608 120.846 120.500 -0.436 0.000 2.548 484 R HA 0.607 4.947 4.340 0.000 0.000 0.280 484 R C -1.781 174.245 176.300 -0.457 0.000 1.061 484 R CA -0.549 55.347 56.100 -0.339 0.000 0.915 484 R CB 1.415 31.601 30.300 -0.190 0.000 1.210 484 R HN 0.907 nan 8.270 nan 0.000 0.442 485 S N 2.237 117.704 115.700 -0.388 0.000 2.672 485 S HA 0.391 4.861 4.470 0.000 0.000 0.291 485 S C -0.942 173.400 174.600 -0.430 0.000 1.145 485 S CA -0.758 57.148 58.200 -0.490 0.000 1.013 485 S CB 1.891 64.944 63.200 -0.245 0.000 1.017 485 S HN 0.367 nan 8.310 nan 0.000 0.487 486 V N 2.523 122.011 119.914 -0.710 0.000 2.547 486 V HA 0.916 5.036 4.120 0.000 0.000 0.299 486 V C -0.193 175.742 176.094 -0.265 0.000 1.040 486 V CA -0.443 61.635 62.300 -0.371 0.000 0.913 486 V CB 1.359 33.038 31.823 -0.240 0.000 0.992 486 V HN 1.419 nan 8.190 nan 0.000 0.449 487 A N 4.682 127.533 122.820 0.053 0.000 2.311 487 A HA 0.800 5.120 4.320 0.000 0.000 0.306 487 A C -0.204 177.518 177.584 0.229 0.000 1.189 487 A CA -0.407 51.787 52.037 0.260 0.000 0.791 487 A CB 1.361 20.598 19.000 0.394 0.000 1.172 487 A HN 0.884 nan 8.150 nan 0.000 0.481 488 S N 0.937 116.802 115.700 0.275 0.000 2.509 488 S HA 0.688 5.158 4.470 0.000 0.000 0.297 488 S C -0.946 173.831 174.600 0.294 0.000 1.118 488 S CA -0.330 58.039 58.200 0.280 0.000 1.074 488 S CB 1.109 64.499 63.200 0.316 0.000 1.038 488 S HN 0.672 nan 8.310 nan 0.000 0.498 489 L N 5.056 126.453 121.223 0.290 0.000 2.406 489 L HA 0.658 4.998 4.340 0.000 0.000 0.270 489 L C -1.297 175.705 176.870 0.219 0.000 0.982 489 L CA -0.416 54.540 54.840 0.192 0.000 0.843 489 L CB 0.621 42.791 42.059 0.184 0.000 1.225 489 L HN 0.637 nan 8.230 nan 0.000 0.412 490 F N 3.462 123.511 119.950 0.165 0.000 2.593 490 F HA 0.996 5.523 4.527 0.000 0.000 0.320 490 F C -0.675 175.226 175.800 0.168 0.000 1.060 490 F CA -1.142 56.945 58.000 0.145 0.000 0.940 490 F CB 1.856 40.930 39.000 0.122 0.000 1.268 490 F HN 0.507 nan 8.300 nan 0.000 0.475 491 A N 2.756 125.831 122.820 0.425 0.000 2.497 491 A HA 0.619 4.939 4.320 0.000 0.000 0.280 491 A C -1.903 175.880 177.584 0.332 0.000 1.065 491 A CA -0.732 51.512 52.037 0.346 0.000 0.781 491 A CB 0.476 19.578 19.000 0.170 0.000 1.289 491 A HN 0.712 nan 8.150 nan 0.000 0.415 492 N N 1.320 120.243 118.700 0.373 0.000 2.392 492 N HA 0.547 5.287 4.740 0.000 0.000 0.283 492 N C -1.320 174.341 175.510 0.251 0.000 1.003 492 N CA -0.378 52.827 53.050 0.260 0.000 0.892 492 N CB 2.011 40.620 38.487 0.203 0.000 1.193 492 N HN 0.512 nan 8.380 nan 0.000 0.487 493 L N 2.264 123.617 121.223 0.216 0.000 2.337 493 L HA 0.443 4.783 4.340 0.000 0.000 0.269 493 L C -0.264 176.734 176.870 0.214 0.000 1.018 493 L CA -0.191 54.797 54.840 0.247 0.000 0.876 493 L CB 0.505 42.716 42.059 0.254 0.000 1.236 493 L HN 0.431 nan 8.230 nan 0.000 0.436 494 T N 3.788 118.459 114.554 0.195 0.000 2.904 494 T HA 0.366 4.716 4.350 0.000 0.000 0.290 494 T C -1.374 173.419 174.700 0.155 0.000 1.018 494 T CA 0.213 62.396 62.100 0.138 0.000 1.075 494 T CB 0.773 69.694 68.868 0.089 0.000 0.986 494 T HN 0.378 nan 8.240 nan 0.000 0.523 495 Y N 1.623 121.844 120.300 -0.132 0.000 2.358 495 Y HA 0.450 5.000 4.550 0.000 0.000 0.324 495 Y C -1.744 173.964 175.900 -0.320 0.000 1.123 495 Y CA -1.754 56.121 58.100 -0.374 0.000 1.067 495 Y CB 1.145 39.321 38.460 -0.475 0.000 1.230 495 Y HN 0.567 nan 8.280 nan 0.000 0.429 496 D N 3.811 124.015 120.400 -0.327 0.000 2.272 496 D HA 0.418 5.058 4.640 0.000 0.000 0.247 496 D C -1.808 174.208 176.300 -0.473 0.000 0.990 496 D CA 0.096 53.840 54.000 -0.428 0.000 0.931 496 D CB 1.676 42.361 40.800 -0.192 0.000 1.195 496 D HN 0.520 nan 8.370 nan 0.000 0.477 497 Y N 0.880 120.815 120.300 -0.609 0.000 2.361 497 Y HA 0.192 4.742 4.550 0.000 0.000 0.328 497 Y C -0.686 174.950 175.900 -0.441 0.000 1.044 497 Y CA -0.773 57.033 58.100 -0.491 0.000 1.085 497 Y CB 1.169 39.200 38.460 -0.716 0.000 1.194 497 Y HN 0.316 nan 8.280 nan 0.000 0.438 498 D N 3.747 123.741 120.400 -0.677 0.000 3.018 498 D HA -0.234 4.406 4.640 0.000 0.000 0.224 498 D C 1.282 177.504 176.300 -0.130 0.000 1.185 498 D CA 2.182 55.913 54.000 -0.448 0.000 0.858 498 D CB -1.307 39.175 40.800 -0.529 0.000 1.112 498 D HN 1.349 nan 8.370 nan 0.000 0.415 499 G N -1.065 107.643 108.800 -0.154 0.000 2.168 499 G HA2 -0.342 3.618 3.960 0.000 0.000 0.263 499 G HA3 -0.342 3.618 3.960 0.000 0.000 0.263 499 G C 0.699 175.647 174.900 0.081 0.000 0.977 499 G CA 0.916 45.999 45.100 -0.029 0.000 0.659 499 G HN 0.620 nan 8.290 nan 0.000 0.533 500 W N -1.970 119.299 121.300 -0.053 0.000 2.942 500 W HA 0.648 5.308 4.660 0.000 0.000 0.260 500 W C 0.129 176.659 176.519 0.018 0.000 1.101 500 W CA 0.058 57.401 57.345 -0.004 0.000 1.436 500 W CB -0.067 29.397 29.460 0.007 0.000 0.883 500 W HN 0.338 nan 8.180 nan 0.000 0.646 501 L N 3.127 123.977 121.223 -0.621 0.000 2.322 501 L HA 0.687 5.027 4.340 0.000 0.000 0.279 501 L C -0.784 175.845 176.870 -0.402 0.000 1.036 501 L CA 0.156 54.644 54.840 -0.588 0.000 0.807 501 L CB 1.956 43.399 42.059 -1.027 0.000 1.226 501 L HN -0.047 nan 8.230 nan 0.000 0.433 502 T N 5.776 120.172 114.554 -0.263 0.000 3.050 502 T HA 0.504 4.854 4.350 0.000 0.000 0.310 502 T C -1.032 173.571 174.700 -0.162 0.000 0.978 502 T CA -0.355 61.611 62.100 -0.223 0.000 1.013 502 T CB 0.878 69.686 68.868 -0.100 0.000 1.000 502 T HN 0.251 nan 8.240 nan 0.000 0.447 503 L N 2.809 123.907 121.223 -0.209 0.000 2.307 503 L HA 0.600 4.940 4.340 0.000 0.000 0.284 503 L C 0.223 177.113 176.870 0.033 0.000 1.023 503 L CA -0.454 54.354 54.840 -0.054 0.000 0.810 503 L CB 1.333 43.387 42.059 -0.008 0.000 1.231 503 L HN 0.681 nan 8.230 nan 0.000 0.423 504 E N 1.441 121.676 120.200 0.059 0.000 2.255 504 E HA 0.641 4.991 4.350 0.000 0.000 0.256 504 E C -0.715 175.938 176.600 0.089 0.000 0.887 504 E CA -0.429 56.016 56.400 0.075 0.000 0.782 504 E CB 1.504 31.233 29.700 0.049 0.000 1.214 504 E HN 0.753 nan 8.360 nan 0.000 0.417 505 G N 1.717 110.583 108.800 0.110 0.000 2.473 505 G HA2 0.828 4.788 3.960 0.000 0.000 0.321 505 G HA3 0.828 4.788 3.960 0.000 0.000 0.321 505 G C -0.526 174.440 174.900 0.110 0.000 1.200 505 G CA -0.338 44.825 45.100 0.106 0.000 0.963 505 G HN 0.596 nan 8.290 nan 0.000 0.483 506 G N -1.105 107.754 108.800 0.097 0.000 2.466 506 G HA2 0.707 4.667 3.960 0.000 0.000 0.291 506 G HA3 0.707 4.667 3.960 0.000 0.000 0.291 506 G C -1.769 173.189 174.900 0.097 0.000 1.460 506 G CA -0.068 45.098 45.100 0.110 0.000 0.791 506 G HN 1.778 nan 8.290 nan 0.000 0.505 507 L N -2.600 118.700 121.223 0.128 0.000 2.789 507 L HA 0.887 5.227 4.340 0.000 0.000 0.258 507 L C -0.979 175.997 176.870 0.177 0.000 0.966 507 L CA -1.135 53.774 54.840 0.116 0.000 0.916 507 L CB 1.771 43.888 42.059 0.095 0.000 1.475 507 L HN 0.835 nan 8.230 nan 0.000 0.418 508 R N 0.907 121.499 120.500 0.154 0.000 2.750 508 R HA 0.641 4.981 4.340 0.000 0.000 0.281 508 R C -2.020 174.392 176.300 0.186 0.000 0.972 508 R CA -0.800 55.423 56.100 0.206 0.000 0.912 508 R CB 2.016 32.419 30.300 0.172 0.000 1.187 508 R HN 0.903 nan 8.270 nan 0.000 0.464 509 Y N 3.022 123.369 120.300 0.077 0.000 2.364 509 Y HA 0.377 4.927 4.550 0.000 0.000 0.340 509 Y C -1.226 174.705 175.900 0.051 0.000 0.975 509 Y CA -0.493 57.616 58.100 0.015 0.000 1.089 509 Y CB 1.531 39.994 38.460 0.005 0.000 1.192 509 Y HN 0.564 nan 8.280 nan 0.000 0.454 510 D N 5.686 125.699 120.400 -0.646 0.000 2.419 510 D HA 0.420 5.060 4.640 0.000 0.000 0.234 510 D C -1.243 174.711 176.300 -0.576 0.000 1.014 510 D CA -0.856 52.931 54.000 -0.357 0.000 0.919 510 D CB 2.528 43.342 40.800 0.024 0.000 1.366 510 D HN 0.585 nan 8.370 nan 0.000 0.490 511 R N 1.719 122.150 120.500 -0.116 0.000 2.549 511 R HA 0.183 4.523 4.340 0.000 0.000 0.291 511 R C -1.589 174.826 176.300 0.192 0.000 1.164 511 R CA -0.637 55.484 56.100 0.036 0.000 0.973 511 R CB 1.014 31.341 30.300 0.045 0.000 1.210 511 R HN 0.624 nan 8.270 nan 0.000 0.422 512 Y N 1.731 122.087 120.300 0.093 0.000 2.403 512 Y HA 0.662 5.212 4.550 0.000 0.000 0.323 512 Y C -0.880 175.015 175.900 -0.009 0.000 1.226 512 Y CA -1.094 57.001 58.100 -0.008 0.000 1.235 512 Y CB 1.393 39.821 38.460 -0.054 0.000 1.248 512 Y HN 0.574 nan 8.280 nan 0.000 0.489 513 R N 4.129 124.437 120.500 -0.320 0.000 2.518 513 R HA 0.417 4.757 4.340 0.000 0.000 0.296 513 R C -2.451 173.660 176.300 -0.316 0.000 1.080 513 R CA -0.821 55.030 56.100 -0.414 0.000 0.922 513 R CB 1.243 31.441 30.300 -0.170 0.000 1.184 513 R HN 0.820 nan 8.270 nan 0.000 0.445 514 L N 4.299 125.298 121.223 -0.372 0.000 2.282 514 L HA 0.578 4.918 4.340 0.000 0.000 0.288 514 L C -0.804 175.976 176.870 -0.151 0.000 1.033 514 L CA -0.161 54.566 54.840 -0.189 0.000 0.807 514 L CB 1.168 43.177 42.059 -0.084 0.000 1.209 514 L HN 0.659 nan 8.230 nan 0.000 0.423 515 R N 3.195 123.628 120.500 -0.110 0.000 2.628 515 R HA 0.853 5.193 4.340 0.000 0.000 0.288 515 R C -0.837 175.439 176.300 -0.039 0.000 0.980 515 R CA -0.741 55.322 56.100 -0.062 0.000 0.891 515 R CB 2.231 32.513 30.300 -0.029 0.000 1.188 515 R HN 0.906 nan 8.270 nan 0.000 0.450 516 G N 1.561 110.352 108.800 -0.016 0.000 2.355 516 G HA2 0.164 4.124 3.960 0.000 0.000 0.296 516 G HA3 0.164 4.124 3.960 0.000 0.000 0.296 516 G C -1.901 173.016 174.900 0.028 0.000 1.507 516 G CA -0.823 44.279 45.100 0.004 0.000 0.823 516 G HN 0.324 nan 8.290 nan 0.000 0.569 517 Q N -0.491 119.335 119.800 0.043 0.000 2.222 517 Q HA 0.839 5.179 4.340 0.000 0.000 0.252 517 Q C 0.035 176.088 176.000 0.088 0.000 0.926 517 Q CA -0.255 55.590 55.803 0.070 0.000 0.899 517 Q CB 2.117 30.891 28.738 0.059 0.000 1.250 517 Q HN 0.731 nan 8.270 nan 0.000 0.441 518 T N -0.321 114.318 114.554 0.142 0.000 2.786 518 T HA 0.794 5.144 4.350 0.000 0.000 0.316 518 T C -1.542 173.317 174.700 0.267 0.000 1.503 518 T CA -0.120 62.086 62.100 0.176 0.000 1.019 518 T CB 1.257 70.221 68.868 0.160 0.000 1.415 518 T HN 0.719 nan 8.240 nan 0.000 0.496 519 G N 1.075 110.031 108.800 0.260 0.000 2.677 519 G HA2 0.674 4.634 3.960 0.000 0.000 0.291 519 G HA3 0.674 4.634 3.960 0.000 0.000 0.291 519 G C -2.447 172.627 174.900 0.289 0.000 1.435 519 G CA -0.537 44.719 45.100 0.259 0.000 0.826 519 G HN 0.803 nan 8.290 nan 0.000 0.491 520 L N 0.098 121.492 121.223 0.284 0.000 2.482 520 L HA 0.813 5.153 4.340 0.000 0.000 0.263 520 L C -0.468 176.550 176.870 0.247 0.000 0.957 520 L CA -0.501 54.552 54.840 0.355 0.000 0.836 520 L CB 2.350 44.699 42.059 0.484 0.000 1.324 520 L HN 0.533 nan 8.230 nan 0.000 0.406 521 S N 3.054 118.903 115.700 0.248 0.000 2.482 521 S HA 0.817 5.287 4.470 0.000 0.000 0.303 521 S C -1.428 173.283 174.600 0.184 0.000 1.091 521 S CA -0.368 57.903 58.200 0.118 0.000 1.057 521 S CB 1.265 64.504 63.200 0.063 0.000 1.031 521 S HN 0.528 nan 8.310 nan 0.000 0.485 522 Y N 0.144 120.464 120.300 0.034 0.000 2.609 522 Y HA 0.785 5.335 4.550 0.000 0.000 0.342 522 Y C -3.391 172.503 175.900 -0.010 0.000 1.058 522 Y CA -3.319 54.781 58.100 0.000 0.000 1.055 522 Y CB 0.190 38.626 38.460 -0.039 0.000 1.292 522 Y HN 0.328 nan 8.280 nan 0.000 0.476 523 P HA 0.239 nan 4.420 nan 0.000 0.276 523 P C -1.181 176.184 177.300 0.108 0.000 1.230 523 P CA 0.392 63.538 63.100 0.078 0.000 0.776 523 P CB 0.892 32.636 31.700 0.073 0.000 0.888 524 D N 1.606 122.018 120.400 0.019 0.000 2.859 524 D HA 0.301 4.941 4.640 0.000 0.000 0.223 524 D C -1.189 175.127 176.300 0.027 0.000 1.218 524 D CA -0.458 53.557 54.000 0.025 0.000 0.850 524 D CB 1.481 42.244 40.800 -0.062 0.000 1.656 524 D HN 0.129 nan 8.370 nan 0.000 0.484 525 L N 2.385 123.644 121.223 0.061 0.000 2.302 525 L HA 0.716 5.056 4.340 0.000 0.000 0.285 525 L C 0.028 176.939 176.870 0.069 0.000 1.090 525 L CA -0.075 54.862 54.840 0.161 0.000 0.866 525 L CB 0.194 42.400 42.059 0.245 0.000 1.244 525 L HN 0.496 nan 8.230 nan 0.000 0.435 526 A N 3.847 126.611 122.820 -0.094 0.000 2.540 526 A HA 0.567 4.887 4.320 0.000 0.000 0.291 526 A C -0.852 176.453 177.584 -0.466 0.000 1.083 526 A CA -0.615 51.118 52.037 -0.506 0.000 0.650 526 A CB 2.021 20.853 19.000 -0.280 0.000 1.292 526 A HN 0.512 nan 8.150 nan 0.000 0.435 527 K N -0.786 119.307 120.400 -0.511 0.000 4.675 527 K HA 0.258 4.578 4.320 0.000 0.000 0.244 527 K C -0.888 175.626 176.600 -0.143 0.000 1.075 527 K CA -0.208 55.947 56.287 -0.220 0.000 1.964 527 K CB 0.350 32.767 32.500 -0.140 0.000 2.954 527 K HN 0.666 nan 8.250 nan 0.000 0.670 528 D N 1.403 121.738 120.400 -0.108 0.000 2.671 528 D HA 0.130 4.770 4.640 0.000 0.000 0.228 528 D C 0.185 176.430 176.300 -0.092 0.000 1.102 528 D CA 0.594 54.547 54.000 -0.077 0.000 1.044 528 D CB -0.168 40.604 40.800 -0.047 0.000 1.113 528 D HN 0.806 nan 8.370 nan 0.000 0.480 529 G N 1.629 110.362 108.800 -0.112 0.000 2.187 529 G HA2 -0.297 3.663 3.960 0.000 0.000 0.261 529 G HA3 -0.297 3.663 3.960 0.000 0.000 0.261 529 G C 0.344 175.174 174.900 -0.117 0.000 1.000 529 G CA 0.032 45.065 45.100 -0.111 0.000 0.718 529 G HN 0.401 nan 8.290 nan 0.000 0.519 530 Q N -0.431 119.275 119.800 -0.157 0.000 2.333 530 Q HA 0.389 4.729 4.340 0.000 0.000 0.265 530 Q C 0.300 176.137 176.000 -0.271 0.000 0.989 530 Q CA -0.701 55.002 55.803 -0.168 0.000 0.842 530 Q CB 1.514 30.166 28.738 -0.143 0.000 1.262 530 Q HN 0.539 nan 8.270 nan 0.000 0.451 531 R N 2.718 123.112 120.500 -0.178 0.000 2.308 531 R HA 0.178 4.518 4.340 0.000 0.000 0.305 531 R C -0.873 175.370 176.300 -0.096 0.000 1.053 531 R CA -0.331 55.671 56.100 -0.163 0.000 0.957 531 R CB 0.441 30.713 30.300 -0.046 0.000 1.022 531 R HN 0.390 nan 8.270 nan 0.000 0.461 532 Y N 3.454 123.793 120.300 0.065 0.000 2.730 532 Y HA 0.063 4.613 4.550 0.000 0.000 0.357 532 Y C 1.030 177.014 175.900 0.140 0.000 1.167 532 Y CA 0.305 58.467 58.100 0.103 0.000 1.579 532 Y CB 0.212 38.750 38.460 0.131 0.000 1.262 532 Y HN 0.544 nan 8.280 nan 0.000 0.510 533 T N 0.842 115.545 114.554 0.249 0.000 2.883 533 T HA 0.295 4.645 4.350 0.000 0.000 0.284 533 T C 1.222 175.955 174.700 0.054 0.000 1.041 533 T CA -0.702 61.509 62.100 0.184 0.000 1.007 533 T CB 0.958 69.882 68.868 0.092 0.000 1.220 533 T HN 0.452 nan 8.240 nan 0.000 0.552 534 I N 1.362 121.813 120.570 -0.198 0.000 2.285 534 I HA -0.210 3.960 4.170 0.000 0.000 0.253 534 I C 1.310 177.277 176.117 -0.250 0.000 1.104 534 I CA 2.474 63.428 61.300 -0.576 0.000 1.372 534 I CB -0.047 37.606 38.000 -0.577 0.000 1.057 534 I HN 0.802 nan 8.210 nan 0.000 0.431 535 D N -1.615 118.721 120.400 -0.107 0.000 2.368 535 D HA 0.082 4.722 4.640 0.000 0.000 0.218 535 D C 0.197 176.501 176.300 0.007 0.000 1.112 535 D CA 0.018 53.987 54.000 -0.051 0.000 0.834 535 D CB -0.500 40.275 40.800 -0.041 0.000 0.953 535 D HN 0.376 nan 8.370 nan 0.000 0.505 536 N N 0.432 119.162 118.700 0.051 0.000 2.785 536 N HA 0.219 4.959 4.740 0.000 0.000 0.224 536 N C -3.124 172.530 175.510 0.240 0.000 1.448 536 N CA -1.041 52.084 53.050 0.125 0.000 0.748 536 N CB 1.132 39.688 38.487 0.115 0.000 1.385 536 N HN -0.181 nan 8.380 nan 0.000 0.538 537 P HA 0.180 nan 4.420 nan 0.000 0.276 537 P C 0.965 178.250 177.300 -0.023 0.000 1.244 537 P CA -0.566 62.627 63.100 0.154 0.000 0.801 537 P CB 1.295 33.066 31.700 0.119 0.000 1.006 538 c N 1.374 119.766 118.600 -0.347 0.000 2.442 538 c HA -0.132 4.438 4.570 0.000 0.000 0.279 538 c C 1.493 175.398 174.090 -0.308 0.000 1.237 538 c CA 1.709 57.499 56.329 -0.897 0.000 1.722 538 c CB -1.593 40.383 42.510 -0.890 0.000 2.056 538 c HN 0.681 nan 8.230 nan 0.000 0.469 539 K N -1.297 119.040 120.400 -0.106 0.000 3.534 539 K HA -0.088 4.232 4.320 0.000 0.000 0.264 539 K C 0.192 176.794 176.600 0.004 0.000 1.227 539 K CA 1.063 57.333 56.287 -0.029 0.000 0.971 539 K CB -2.108 30.380 32.500 -0.021 0.000 1.352 539 K HN 0.723 nan 8.250 nan 0.000 0.524 540 A N 0.357 123.182 122.820 0.008 0.000 2.366 540 A HA 0.411 4.731 4.320 0.000 0.000 0.250 540 A C 1.425 179.078 177.584 0.115 0.000 1.099 540 A CA 0.467 52.527 52.037 0.038 0.000 0.794 540 A CB 0.113 19.107 19.000 -0.010 0.000 1.056 540 A HN 0.201 nan 8.150 nan 0.000 0.499 541 L N -0.738 120.536 121.223 0.085 0.000 2.168 541 L HA 0.222 4.562 4.340 0.000 0.000 0.203 541 L C 1.156 178.128 176.870 0.169 0.000 1.078 541 L CA 1.438 56.342 54.840 0.108 0.000 0.780 541 L CB -0.443 41.647 42.059 0.052 0.000 0.939 541 L HN 0.739 nan 8.230 nan 0.000 0.451 542 R N -1.590 118.951 120.500 0.069 0.000 2.691 542 R HA 0.352 4.692 4.340 0.000 0.000 0.259 542 R C 1.017 177.175 176.300 -0.237 0.000 1.048 542 R CA -0.510 55.582 56.100 -0.014 0.000 1.086 542 R CB 0.521 30.801 30.300 -0.034 0.000 1.166 542 R HN -0.013 nan 8.270 nan 0.000 0.526 543 L N 0.560 121.519 121.223 -0.440 0.000 2.217 543 L HA -0.128 4.212 4.340 0.000 0.000 0.211 543 L C 1.806 178.522 176.870 -0.257 0.000 1.107 543 L CA 1.545 56.030 54.840 -0.592 0.000 0.783 543 L CB -0.445 41.269 42.059 -0.576 0.000 0.919 543 L HN 0.916 nan 8.230 nan 0.000 0.442 544 T N -3.391 111.072 114.554 -0.152 0.000 2.803 544 T HA -0.136 4.214 4.350 0.000 0.000 0.269 544 T C 1.605 176.276 174.700 -0.048 0.000 1.052 544 T CA 1.099 63.155 62.100 -0.074 0.000 1.136 544 T CB -0.689 68.151 68.868 -0.046 0.000 0.864 544 T HN 0.408 nan 8.240 nan 0.000 0.467 545 G N -1.037 107.727 108.800 -0.059 0.000 3.262 545 G HA2 0.231 4.191 3.960 0.000 0.000 0.228 545 G HA3 0.231 4.191 3.960 0.000 0.000 0.228 545 G C 0.985 175.876 174.900 -0.016 0.000 1.197 545 G CA 0.076 45.162 45.100 -0.023 0.000 0.819 545 G HN 0.570 nan 8.290 nan 0.000 0.531 546 c N 0.156 118.733 118.600 -0.038 0.000 3.757 546 c HA 0.383 4.953 4.570 0.000 0.000 0.358 546 c C 1.540 175.725 174.090 0.158 0.000 1.484 546 c CA 0.231 56.566 56.329 0.010 0.000 1.862 546 c CB -0.485 41.914 42.510 -0.185 0.000 2.654 546 c HN 0.465 nan 8.230 nan 0.000 0.699 547 S N 0.114 115.856 115.700 0.069 0.000 2.730 547 S HA 0.872 5.342 4.470 0.000 0.000 0.284 547 S C -0.405 174.222 174.600 0.045 0.000 1.153 547 S CA -0.086 58.153 58.200 0.065 0.000 0.995 547 S CB 1.602 64.820 63.200 0.029 0.000 1.058 547 S HN 0.361 nan 8.310 nan 0.000 0.552 548 T N -0.212 114.350 114.554 0.014 0.000 2.686 548 T HA 0.418 4.768 4.350 0.000 0.000 0.308 548 T C -1.304 173.365 174.700 -0.051 0.000 1.667 548 T CA -0.722 61.365 62.100 -0.021 0.000 0.987 548 T CB 1.300 70.143 68.868 -0.042 0.000 1.652 548 T HN 0.662 nan 8.240 nan 0.000 0.496 549 T N 2.033 116.542 114.554 -0.075 0.000 2.797 549 T HA 0.642 4.992 4.350 0.000 0.000 0.279 549 T C -0.604 173.977 174.700 -0.198 0.000 0.991 549 T CA -0.267 61.762 62.100 -0.119 0.000 0.979 549 T CB 1.155 69.980 68.868 -0.072 0.000 0.943 549 T HN 0.563 nan 8.240 nan 0.000 0.444 550 T N 3.708 118.040 114.554 -0.369 0.000 2.771 550 T HA 0.506 4.856 4.350 0.000 0.000 0.281 550 T C -0.154 174.269 174.700 -0.462 0.000 0.982 550 T CA -0.693 61.123 62.100 -0.473 0.000 0.978 550 T CB 0.969 69.419 68.868 -0.696 0.000 0.930 550 T HN 0.340 nan 8.240 nan 0.000 0.447 551 R N 2.443 122.791 120.500 -0.253 0.000 2.346 551 R HA 0.468 4.808 4.340 0.000 0.000 0.311 551 R C -0.643 175.578 176.300 -0.132 0.000 0.983 551 R CA -0.575 55.439 56.100 -0.143 0.000 0.880 551 R CB 0.766 31.017 30.300 -0.081 0.000 1.100 551 R HN 0.641 nan 8.270 nan 0.000 0.453 552 E N 2.309 122.464 120.200 -0.076 0.000 2.158 552 E HA 0.266 4.616 4.350 0.000 0.000 0.271 552 E C -1.237 175.209 176.600 -0.256 0.000 0.911 552 E CA -0.638 55.636 56.400 -0.210 0.000 0.767 552 E CB 1.066 30.657 29.700 -0.180 0.000 1.120 552 E HN 0.545 nan 8.360 nan 0.000 0.405 553 D N 4.825 125.007 120.400 -0.362 0.000 2.471 553 D HA 0.168 4.808 4.640 0.000 0.000 0.245 553 D C -1.206 174.931 176.300 -0.271 0.000 1.116 553 D CA -0.351 53.524 54.000 -0.208 0.000 0.853 553 D CB 0.546 41.294 40.800 -0.087 0.000 1.123 553 D HN 0.334 nan 8.370 nan 0.000 0.540 554 W N 1.113 122.456 121.300 0.071 0.000 2.351 554 W HA 0.252 4.912 4.660 0.000 0.000 0.311 554 W C 0.608 177.139 176.519 0.020 0.000 1.168 554 W CA -0.769 56.608 57.345 0.053 0.000 1.200 554 W CB 0.771 30.265 29.460 0.056 0.000 1.221 554 W HN 0.149 nan 8.180 nan 0.000 0.519 555 D N 2.812 123.336 120.400 0.207 0.000 2.500 555 D HA 0.204 4.844 4.640 0.000 0.000 0.219 555 D C -0.593 175.763 176.300 0.092 0.000 1.137 555 D CA -0.221 53.849 54.000 0.118 0.000 0.946 555 D CB 0.549 41.391 40.800 0.070 0.000 1.022 555 D HN 0.023 nan 8.370 nan 0.000 0.518 556 V N 3.249 123.204 119.914 0.068 0.000 2.572 556 V HA 0.228 4.348 4.120 0.000 0.000 0.291 556 V C 0.519 176.593 176.094 -0.034 0.000 1.039 556 V CA 0.116 62.411 62.300 -0.009 0.000 1.055 556 V CB 1.312 33.105 31.823 -0.051 0.000 0.969 556 V HN 0.466 nan 8.190 nan 0.000 0.482 557 D N 4.079 124.441 120.400 -0.062 0.000 2.881 557 D HA 0.168 4.808 4.640 0.000 0.000 0.238 557 D C -0.287 175.947 176.300 -0.109 0.000 1.368 557 D CA -0.533 53.422 54.000 -0.075 0.000 0.871 557 D CB 0.599 41.378 40.800 -0.035 0.000 1.516 557 D HN 0.725 nan 8.370 nan 0.000 0.544 558 R N 0.647 121.041 120.500 -0.176 0.000 2.778 558 R HA 0.814 5.154 4.340 0.000 0.000 0.277 558 R C -1.288 174.733 176.300 -0.465 0.000 0.977 558 R CA -0.837 55.135 56.100 -0.213 0.000 0.950 558 R CB 1.516 31.746 30.300 -0.117 0.000 1.165 558 R HN 0.044 nan 8.270 nan 0.000 0.474 559 D N 0.617 120.814 120.400 -0.339 0.000 2.891 559 D HA 0.202 4.842 4.640 0.000 0.000 0.224 559 D C -0.953 175.330 176.300 -0.028 0.000 1.321 559 D CA -0.713 53.058 54.000 -0.382 0.000 0.929 559 D CB 1.824 42.501 40.800 -0.205 0.000 1.551 559 D HN 0.516 nan 8.370 nan 0.000 0.574 560 Q N 0.839 120.781 119.800 0.238 0.000 2.445 560 Q HA 0.783 5.123 4.340 0.000 0.000 0.281 560 Q C -0.664 175.470 176.000 0.222 0.000 1.101 560 Q CA -1.609 54.392 55.803 0.331 0.000 0.833 560 Q CB 2.754 31.816 28.738 0.540 0.000 1.416 560 Q HN 0.642 nan 8.270 nan 0.000 0.451 561 G N 0.939 109.736 108.800 -0.006 0.000 2.566 561 G HA2 0.552 4.512 3.960 0.000 0.000 0.311 561 G HA3 0.552 4.512 3.960 0.000 0.000 0.311 561 G C -1.472 173.073 174.900 -0.591 0.000 1.322 561 G CA -0.343 44.537 45.100 -0.367 0.000 0.969 561 G HN 0.389 nan 8.290 nan 0.000 0.490 562 K N 1.008 120.720 120.400 -1.148 0.000 2.395 562 K HA 0.779 5.099 4.320 0.000 0.000 0.247 562 K C -1.624 174.640 176.600 -0.561 0.000 0.973 562 K CA -0.873 54.813 56.287 -1.001 0.000 0.828 562 K CB 2.208 33.521 32.500 -1.978 0.000 1.272 562 K HN 0.385 nan 8.250 nan 0.000 0.439 563 L N 1.911 122.984 121.223 -0.250 0.000 2.356 563 L HA 0.586 4.926 4.340 0.000 0.000 0.277 563 L C -1.630 175.206 176.870 -0.055 0.000 0.996 563 L CA 0.133 54.951 54.840 -0.036 0.000 0.822 563 L CB 1.858 43.963 42.059 0.076 0.000 1.256 563 L HN 0.702 nan 8.230 nan 0.000 0.413 564 S N 6.025 121.716 115.700 -0.016 0.000 2.659 564 S HA 0.705 5.175 4.470 0.000 0.000 0.312 564 S C -2.747 171.850 174.600 -0.005 0.000 1.114 564 S CA -1.050 57.140 58.200 -0.018 0.000 1.063 564 S CB 1.506 64.703 63.200 -0.005 0.000 0.996 564 S HN 0.470 nan 8.310 nan 0.000 0.478 565 P HA 0.548 nan 4.420 nan 0.000 0.282 565 P C -0.647 176.602 177.300 -0.085 0.000 1.259 565 P CA -0.504 62.585 63.100 -0.018 0.000 0.826 565 P CB 0.903 32.611 31.700 0.013 0.000 1.064 566 T N -0.639 113.889 114.554 -0.043 0.000 2.900 566 T HA 0.793 5.143 4.350 0.000 0.000 0.295 566 T C -0.959 173.739 174.700 -0.004 0.000 1.044 566 T CA -0.659 61.398 62.100 -0.072 0.000 0.995 566 T CB 0.851 69.687 68.868 -0.053 0.000 1.072 566 T HN 0.107 nan 8.240 nan 0.000 0.473 567 L N 0.703 121.928 121.223 0.004 0.000 2.465 567 L HA 0.946 5.286 4.340 0.000 0.000 0.257 567 L C -0.924 175.992 176.870 0.076 0.000 0.988 567 L CA -0.545 54.335 54.840 0.066 0.000 0.827 567 L CB 2.171 44.301 42.059 0.119 0.000 1.397 567 L HN 1.304 nan 8.230 nan 0.000 0.410 568 A N 1.445 124.320 122.820 0.092 0.000 2.604 568 A HA 0.889 5.209 4.320 0.000 0.000 0.295 568 A C -2.028 175.620 177.584 0.108 0.000 1.067 568 A CA -0.565 51.538 52.037 0.111 0.000 0.683 568 A CB 1.816 20.865 19.000 0.082 0.000 1.281 568 A HN 0.409 nan 8.150 nan 0.000 0.407 569 V N 0.117 120.116 119.914 0.142 0.000 2.808 569 V HA 0.864 4.984 4.120 0.000 0.000 0.308 569 V C 0.020 176.211 176.094 0.161 0.000 1.099 569 V CA 0.030 62.401 62.300 0.119 0.000 0.920 569 V CB 1.624 33.521 31.823 0.124 0.000 1.014 569 V HN 1.926 nan 8.190 nan 0.000 0.425 570 A N 3.647 126.537 122.820 0.118 0.000 2.515 570 A HA 1.004 5.324 4.320 0.000 0.000 0.298 570 A C -1.076 176.594 177.584 0.143 0.000 1.059 570 A CA -0.638 51.500 52.037 0.168 0.000 0.698 570 A CB 2.281 21.374 19.000 0.155 0.000 1.289 570 A HN 1.730 nan 8.150 nan 0.000 0.404 571 V N -0.314 119.724 119.914 0.208 0.000 2.777 571 V HA 0.613 4.733 4.120 0.000 0.000 0.306 571 V C -0.580 175.677 176.094 0.271 0.000 1.112 571 V CA -1.234 61.236 62.300 0.285 0.000 0.917 571 V CB 1.688 33.739 31.823 0.380 0.000 1.018 571 V HN 0.860 nan 8.190 nan 0.000 0.426 572 R N 4.039 124.716 120.500 0.296 0.000 2.404 572 R HA 0.238 4.578 4.340 0.000 0.000 0.315 572 R C -2.002 174.409 176.300 0.186 0.000 1.032 572 R CA -1.290 54.947 56.100 0.228 0.000 0.992 572 R CB 0.902 31.339 30.300 0.229 0.000 0.959 572 R HN 0.557 nan 8.270 nan 0.000 0.428 573 P HA -0.102 nan 4.420 nan 0.000 0.212 573 P C 0.988 178.231 177.300 -0.095 0.000 1.180 573 P CA 1.430 64.550 63.100 0.032 0.000 0.906 573 P CB 0.352 32.071 31.700 0.032 0.000 0.782 574 G N -2.131 106.625 108.800 -0.073 0.000 2.512 574 G HA2 0.190 4.150 3.960 0.000 0.000 0.193 574 G HA3 0.190 4.150 3.960 0.000 0.000 0.193 574 G C -0.134 174.724 174.900 -0.070 0.000 1.278 574 G CA 0.277 45.297 45.100 -0.135 0.000 0.722 574 G HN 0.339 nan 8.290 nan 0.000 0.925 575 V N 0.694 120.611 119.914 0.005 0.000 2.850 575 V HA 0.472 4.592 4.120 0.000 0.000 0.315 575 V C 0.746 176.914 176.094 0.122 0.000 1.064 575 V CA -0.471 61.864 62.300 0.058 0.000 0.979 575 V CB 1.960 33.826 31.823 0.071 0.000 1.039 575 V HN 0.396 nan 8.190 nan 0.000 0.452 576 E N 4.003 124.280 120.200 0.127 0.000 2.482 576 E HA -0.118 4.232 4.350 0.000 0.000 0.196 576 E C 1.410 178.103 176.600 0.154 0.000 1.047 576 E CA 0.742 57.216 56.400 0.124 0.000 0.869 576 E CB 0.046 29.799 29.700 0.089 0.000 0.836 576 E HN 0.902 nan 8.360 nan 0.000 0.520 577 W N 1.579 122.875 121.300 -0.006 0.000 2.331 577 W HA -0.130 4.530 4.660 0.000 0.000 0.291 577 W C -0.071 176.452 176.519 0.008 0.000 1.214 577 W CA 0.983 58.319 57.345 -0.016 0.000 1.228 577 W CB 0.100 29.537 29.460 -0.039 0.000 1.135 577 W HN 0.045 nan 8.180 nan 0.000 0.537 578 L N 0.630 121.938 121.223 0.143 0.000 2.466 578 L HA 0.352 4.692 4.340 0.000 0.000 0.258 578 L C -1.086 175.871 176.870 0.146 0.000 0.973 578 L CA -0.570 54.328 54.840 0.097 0.000 0.826 578 L CB 2.107 44.304 42.059 0.230 0.000 1.372 578 L HN -0.072 nan 8.230 nan 0.000 0.409 579 E N 3.897 124.205 120.200 0.180 0.000 2.241 579 E HA 0.524 4.874 4.350 0.000 0.000 0.263 579 E C -1.810 174.976 176.600 0.311 0.000 0.882 579 E CA -0.567 55.968 56.400 0.224 0.000 0.769 579 E CB 1.329 31.147 29.700 0.198 0.000 1.185 579 E HN 0.611 nan 8.360 nan 0.000 0.415 580 L N 5.245 126.629 121.223 0.268 0.000 2.309 580 L HA 0.546 4.886 4.340 0.000 0.000 0.282 580 L C -0.582 176.461 176.870 0.288 0.000 1.036 580 L CA -0.957 54.034 54.840 0.251 0.000 0.806 580 L CB 0.526 42.683 42.059 0.164 0.000 1.220 580 L HN 0.576 nan 8.230 nan 0.000 0.429 581 Y N 0.206 120.598 120.300 0.152 0.000 2.615 581 Y HA 0.806 5.356 4.550 0.000 0.000 0.341 581 Y C -0.889 175.092 175.900 0.136 0.000 1.089 581 Y CA -0.994 57.180 58.100 0.122 0.000 1.049 581 Y CB 2.150 40.663 38.460 0.090 0.000 1.296 581 Y HN 0.350 nan 8.280 nan 0.000 0.470 582 T N 1.709 116.452 114.554 0.316 0.000 3.295 582 T HA 0.509 4.859 4.350 0.000 0.000 0.331 582 T C -1.457 173.432 174.700 0.316 0.000 1.142 582 T CA -0.692 61.569 62.100 0.269 0.000 1.078 582 T CB 1.282 70.291 68.868 0.236 0.000 1.150 582 T HN 0.967 nan 8.240 nan 0.000 0.465 583 T N 1.266 116.009 114.554 0.315 0.000 2.848 583 T HA 0.716 5.066 4.350 0.000 0.000 0.285 583 T C -1.125 173.666 174.700 0.152 0.000 0.995 583 T CA -0.824 61.402 62.100 0.209 0.000 0.970 583 T CB 1.452 70.410 68.868 0.151 0.000 0.976 583 T HN 0.559 nan 8.240 nan 0.000 0.441 584 Y N 1.547 121.752 120.300 -0.159 0.000 2.509 584 Y HA 0.749 5.299 4.550 0.000 0.000 0.341 584 Y C -0.110 175.607 175.900 -0.305 0.000 1.038 584 Y CA -0.220 57.591 58.100 -0.482 0.000 1.089 584 Y CB 1.949 39.805 38.460 -1.008 0.000 1.241 584 Y HN 1.237 nan 8.280 nan 0.000 0.468 585 G N 4.409 112.464 108.800 -1.241 0.000 2.633 585 G HA2 0.335 4.295 3.960 0.000 0.000 0.299 585 G HA3 0.335 4.295 3.960 0.000 0.000 0.299 585 G C -2.183 172.252 174.900 -0.775 0.000 1.501 585 G CA -1.183 43.390 45.100 -0.879 0.000 0.887 585 G HN 0.606 nan 8.290 nan 0.000 0.561 586 K N 0.140 120.231 120.400 -0.515 0.000 2.106 586 K HA 0.855 5.176 4.320 0.000 0.000 0.246 586 K C -0.037 176.493 176.600 -0.117 0.000 0.987 586 K CA -0.672 55.460 56.287 -0.257 0.000 0.904 586 K CB 2.004 34.420 32.500 -0.141 0.000 1.071 586 K HN 0.469 nan 8.250 nan 0.000 0.453 587 S N -0.390 115.299 115.700 -0.018 0.000 2.843 587 S HA 0.643 5.113 4.470 0.000 0.000 0.301 587 S C -2.239 172.483 174.600 0.203 0.000 1.206 587 S CA -0.680 57.557 58.200 0.063 0.000 0.875 587 S CB 0.856 64.065 63.200 0.015 0.000 1.248 587 S HN 0.607 nan 8.310 nan 0.000 0.555 588 W N 1.677 122.937 121.300 -0.066 0.000 4.199 588 W HA 0.489 5.149 4.660 0.000 0.000 0.288 588 W C -1.627 174.830 176.519 -0.105 0.000 1.244 588 W CA -0.209 57.089 57.345 -0.078 0.000 1.309 588 W CB 0.741 30.152 29.460 -0.081 0.000 1.199 588 W HN 0.699 nan 8.180 nan 0.000 0.485 589 R N 6.988 127.135 120.500 -0.590 0.000 2.473 589 R HA 0.543 4.883 4.340 0.000 0.000 0.303 589 R C -2.648 173.057 176.300 -0.993 0.000 1.002 589 R CA -1.590 54.116 56.100 -0.658 0.000 0.884 589 R CB 1.988 32.072 30.300 -0.361 0.000 1.173 589 R HN 0.093 nan 8.270 nan 0.000 0.464 590 P HA 0.194 nan 4.420 nan 0.000 0.273 590 P C -2.634 174.189 177.300 -0.796 0.000 1.250 590 P CA -1.302 61.000 63.100 -1.329 0.000 0.793 590 P CB 0.164 30.727 31.700 -1.895 0.000 1.011 591 P HA 0.145 nan 4.420 nan 0.000 0.271 591 P C -0.500 176.565 177.300 -0.391 0.000 1.216 591 P CA 0.077 62.909 63.100 -0.448 0.000 0.776 591 P CB 0.233 31.744 31.700 -0.316 0.000 0.881 592 A N 2.611 125.132 122.820 -0.499 0.000 2.386 592 A HA 0.095 4.415 4.320 0.000 0.000 0.246 592 A C 1.389 178.771 177.584 -0.335 0.000 1.089 592 A CA -0.043 51.723 52.037 -0.453 0.000 0.790 592 A CB -0.538 17.964 19.000 -0.830 0.000 1.042 592 A HN 0.503 nan 8.150 nan 0.000 0.497 593 I N 0.815 121.255 120.570 -0.216 0.000 2.118 593 I HA -0.237 3.933 4.170 0.000 0.000 0.241 593 I C 2.584 178.588 176.117 -0.188 0.000 1.070 593 I CA 2.444 63.648 61.300 -0.160 0.000 1.327 593 I CB -0.723 37.214 38.000 -0.105 0.000 1.034 593 I HN 0.755 nan 8.210 nan 0.000 0.405 594 T N 0.576 114.999 114.554 -0.218 0.000 2.701 594 T HA -0.170 4.180 4.350 0.000 0.000 0.263 594 T C 1.604 176.091 174.700 -0.354 0.000 1.040 594 T CA 1.604 63.584 62.100 -0.199 0.000 1.147 594 T CB -0.423 68.407 68.868 -0.063 0.000 0.865 594 T HN 0.586 nan 8.240 nan 0.000 0.426 595 E N 0.551 120.303 120.200 -0.747 0.000 2.515 595 E HA -0.059 4.291 4.350 0.000 0.000 0.201 595 E C 1.384 177.790 176.600 -0.324 0.000 1.071 595 E CA 0.853 56.729 56.400 -0.875 0.000 0.880 595 E CB -0.316 28.634 29.700 -1.250 0.000 0.828 595 E HN 0.348 nan 8.360 nan 0.000 0.540 596 T N 0.561 114.965 114.554 -0.250 0.000 3.018 596 T HA 0.211 4.561 4.350 0.000 0.000 0.246 596 T C 1.479 176.137 174.700 -0.071 0.000 1.026 596 T CA 0.108 62.120 62.100 -0.148 0.000 1.081 596 T CB 0.254 69.024 68.868 -0.163 0.000 0.970 596 T HN 0.113 nan 8.240 nan 0.000 0.475 597 L N 0.707 121.897 121.223 -0.055 0.000 2.858 597 L HA 0.284 4.624 4.340 0.000 0.000 0.251 597 L C 1.022 177.912 176.870 0.034 0.000 1.149 597 L CA -0.119 54.722 54.840 0.001 0.000 0.955 597 L CB 0.198 42.251 42.059 -0.009 0.000 1.289 597 L HN 0.090 nan 8.230 nan 0.000 0.542 598 T N 2.458 117.034 114.554 0.036 0.000 2.908 598 T HA 0.060 4.410 4.350 0.000 0.000 0.301 598 T C 0.110 174.830 174.700 0.034 0.000 1.019 598 T CA 0.398 62.528 62.100 0.050 0.000 1.152 598 T CB -0.240 68.699 68.868 0.120 0.000 0.966 598 T HN 0.646 nan 8.240 nan 0.000 0.540 599 N N 2.848 121.542 118.700 -0.011 0.000 2.793 599 N HA 0.567 5.307 4.740 0.000 0.000 0.251 599 N C -0.418 175.029 175.510 -0.104 0.000 1.308 599 N CA -0.783 52.233 53.050 -0.057 0.000 0.781 599 N CB 1.057 39.560 38.487 0.026 0.000 1.439 599 N HN 0.841 nan 8.380 nan 0.000 0.562 600 G N 0.195 108.882 108.800 -0.189 0.000 2.341 600 G HA2 0.634 4.594 3.960 0.000 0.000 0.299 600 G HA3 0.634 4.594 3.960 0.000 0.000 0.299 600 G C -1.863 172.901 174.900 -0.227 0.000 1.274 600 G CA -0.365 44.629 45.100 -0.178 0.000 0.853 600 G HN 1.099 nan 8.290 nan 0.000 0.493 601 S N -1.926 113.656 115.700 -0.197 0.000 2.550 601 S HA 0.703 5.173 4.470 0.000 0.000 0.270 601 S C 0.483 174.944 174.600 -0.231 0.000 1.145 601 S CA 0.413 58.468 58.200 -0.242 0.000 0.852 601 S CB 1.526 64.579 63.200 -0.244 0.000 1.119 601 S HN 2.113 nan 8.310 nan 0.000 0.465 602 A N 0.607 123.248 122.820 -0.299 0.000 2.169 602 A HA 0.469 4.789 4.320 0.000 0.000 0.212 602 A C 0.484 178.025 177.584 -0.071 0.000 1.153 602 A CA 1.298 53.247 52.037 -0.147 0.000 0.756 602 A CB -0.801 18.206 19.000 0.012 0.000 0.813 602 A HN 1.426 nan 8.150 nan 0.000 0.471 603 H N -3.331 115.721 119.070 -0.029 0.000 3.081 603 H HA 0.465 5.021 4.556 0.000 0.000 0.322 603 H C -0.350 174.974 175.328 -0.006 0.000 1.266 603 H CA -0.786 55.256 56.048 -0.011 0.000 1.279 603 H CB -0.256 29.526 29.762 0.034 0.000 1.954 603 H HN 0.125 nan 8.280 nan 0.000 0.530 604 S N 1.430 117.217 115.700 0.144 0.000 2.566 604 S HA 0.299 4.769 4.470 0.000 0.000 0.280 604 S C 1.106 175.843 174.600 0.229 0.000 1.343 604 S CA 0.813 59.081 58.200 0.114 0.000 1.036 604 S CB 0.956 64.207 63.200 0.085 0.000 0.866 604 S HN 1.856 nan 8.310 nan 0.000 0.526 605 S N 1.012 116.803 115.700 0.152 0.000 1.325 605 S HA -0.165 4.305 4.470 0.000 0.000 0.251 605 S C -0.038 174.639 174.600 0.128 0.000 0.686 605 S CA 0.588 58.888 58.200 0.167 0.000 1.070 605 S CB -1.910 61.432 63.200 0.237 0.000 1.140 605 S HN 1.846 nan 8.310 nan 0.000 0.492 606 S N 0.403 116.141 115.700 0.064 0.000 2.548 606 S HA 0.720 5.190 4.470 0.000 0.000 0.276 606 S C -1.209 173.306 174.600 -0.142 0.000 1.129 606 S CA 0.421 58.601 58.200 -0.033 0.000 0.931 606 S CB 2.079 65.266 63.200 -0.022 0.000 1.068 606 S HN 0.536 nan 8.310 nan 0.000 0.480 607 T N 4.111 118.616 114.554 -0.081 0.000 2.921 607 T HA 0.409 4.759 4.350 0.000 0.000 0.297 607 T C -1.150 173.412 174.700 -0.231 0.000 1.013 607 T CA -0.595 61.390 62.100 -0.192 0.000 0.990 607 T CB 1.636 70.387 68.868 -0.194 0.000 1.023 607 T HN 0.639 nan 8.240 nan 0.000 0.447 608 Q N 1.972 121.576 119.800 -0.326 0.000 2.235 608 Q HA 0.517 4.857 4.340 0.000 0.000 0.250 608 Q C -1.239 174.531 176.000 -0.384 0.000 0.909 608 Q CA -0.476 55.176 55.803 -0.251 0.000 0.910 608 Q CB 1.417 30.056 28.738 -0.165 0.000 1.223 608 Q HN 0.617 nan 8.270 nan 0.000 0.432 609 Y N 0.818 121.067 120.300 -0.085 0.000 2.536 609 Y HA 0.394 4.944 4.550 0.000 0.000 0.347 609 Y C -2.181 173.730 175.900 0.018 0.000 1.000 609 Y CA -2.608 55.516 58.100 0.039 0.000 1.051 609 Y CB 1.583 40.159 38.460 0.194 0.000 1.259 609 Y HN 0.532 nan 8.280 nan 0.000 0.468 610 P HA 0.137 nan 4.420 nan 0.000 0.276 610 P C -0.880 176.626 177.300 0.343 0.000 1.244 610 P CA -0.327 62.926 63.100 0.255 0.000 0.801 610 P CB 0.649 32.501 31.700 0.252 0.000 1.006 611 N N 1.665 120.473 118.700 0.180 0.000 2.690 611 N HA 0.271 5.011 4.740 0.000 0.000 0.255 611 N C -2.469 173.038 175.510 -0.005 0.000 1.195 611 N CA -2.249 50.929 53.050 0.214 0.000 0.790 611 N CB 0.639 39.261 38.487 0.224 0.000 1.216 611 N HN 0.045 nan 8.380 nan 0.000 0.528 612 P HA 0.227 nan 4.420 nan 0.000 0.253 612 P C -0.428 176.304 177.300 -0.947 0.000 1.281 612 P CA 0.534 63.253 63.100 -0.635 0.000 0.792 612 P CB -0.281 30.780 31.700 -1.065 0.000 1.193 613 F N -2.609 117.251 119.950 -0.151 0.000 2.936 613 F HA 0.223 4.750 4.527 0.000 0.000 0.334 613 F C 0.677 176.448 175.800 -0.049 0.000 1.170 613 F CA -0.598 57.340 58.000 -0.103 0.000 1.104 613 F CB -0.044 38.876 39.000 -0.133 0.000 1.216 613 F HN -0.294 nan 8.300 nan 0.000 0.518 614 L N 2.287 123.544 121.223 0.058 0.000 2.640 614 L HA -0.096 4.244 4.340 0.000 0.000 0.280 614 L C 0.652 177.514 176.870 -0.014 0.000 1.229 614 L CA 0.808 55.653 54.840 0.008 0.000 0.919 614 L CB 0.271 42.285 42.059 -0.075 0.000 1.168 614 L HN 0.299 nan 8.230 nan 0.000 0.496 615 Q N 5.277 125.076 119.800 -0.001 0.000 2.235 615 Q HA 0.339 4.679 4.340 0.000 0.000 0.250 615 Q C -2.225 173.721 176.000 -0.089 0.000 0.909 615 Q CA -1.829 53.970 55.803 -0.006 0.000 0.910 615 Q CB 1.595 30.354 28.738 0.034 0.000 1.223 615 Q HN 0.309 nan 8.270 nan 0.000 0.432 616 P HA 0.052 nan 4.420 nan 0.000 0.278 616 P C -1.275 175.881 177.300 -0.241 0.000 1.238 616 P CA -0.196 62.701 63.100 -0.340 0.000 0.794 616 P CB 0.602 31.978 31.700 -0.540 0.000 0.955 617 E N 1.687 121.702 120.200 -0.309 0.000 2.373 617 E HA 0.272 4.622 4.350 0.000 0.000 0.267 617 E C 0.025 176.575 176.600 -0.084 0.000 1.032 617 E CA -0.276 56.038 56.400 -0.143 0.000 0.889 617 E CB 0.865 30.485 29.700 -0.133 0.000 0.984 617 E HN 0.326 nan 8.360 nan 0.000 0.425 618 R N 1.441 121.984 120.500 0.073 0.000 2.575 618 R HA 0.261 4.601 4.340 0.000 0.000 0.293 618 R C -1.009 175.367 176.300 0.126 0.000 0.983 618 R CA -0.315 55.882 56.100 0.161 0.000 0.887 618 R CB 1.418 31.850 30.300 0.220 0.000 1.184 618 R HN 0.726 nan 8.270 nan 0.000 0.445 619 S N 3.191 118.953 115.700 0.104 0.000 2.704 619 S HA 0.638 5.108 4.470 0.000 0.000 0.305 619 S C -0.702 173.920 174.600 0.037 0.000 1.107 619 S CA -0.959 57.289 58.200 0.080 0.000 0.993 619 S CB 1.895 65.128 63.200 0.055 0.000 1.110 619 S HN 0.745 nan 8.310 nan 0.000 0.534 620 R N 0.214 120.736 120.500 0.038 0.000 2.549 620 R HA 0.612 4.952 4.340 0.000 0.000 0.291 620 R C -1.819 174.492 176.300 0.018 0.000 1.164 620 R CA -0.556 55.544 56.100 -0.001 0.000 0.973 620 R CB 0.984 31.367 30.300 0.138 0.000 1.210 620 R HN 0.946 nan 8.270 nan 0.000 0.422 621 A N 4.336 127.075 122.820 -0.135 0.000 2.343 621 A HA 0.635 4.955 4.320 0.000 0.000 0.308 621 A C -1.793 175.762 177.584 -0.048 0.000 1.092 621 A CA -0.669 51.356 52.037 -0.021 0.000 0.751 621 A CB 0.660 19.643 19.000 -0.027 0.000 1.203 621 A HN 0.697 nan 8.150 nan 0.000 0.452 622 W N 0.812 122.198 121.300 0.144 0.000 2.551 622 W HA 0.640 5.300 4.660 0.000 0.000 0.330 622 W C 0.435 177.007 176.519 0.088 0.000 1.063 622 W CA -0.071 57.374 57.345 0.167 0.000 1.222 622 W CB 1.500 31.055 29.460 0.157 0.000 1.349 622 W HN 0.751 nan 8.180 nan 0.000 0.536 623 E N 1.197 121.616 120.200 0.365 0.000 2.317 623 E HA 0.673 5.023 4.350 0.000 0.000 0.270 623 E C -1.838 174.889 176.600 0.212 0.000 0.885 623 E CA -0.780 55.770 56.400 0.249 0.000 0.760 623 E CB 2.515 32.354 29.700 0.231 0.000 1.227 623 E HN 0.238 nan 8.360 nan 0.000 0.434 624 V N 2.303 122.275 119.914 0.096 0.000 2.668 624 V HA 0.812 4.932 4.120 0.000 0.000 0.304 624 V C -0.115 175.832 176.094 -0.245 0.000 1.071 624 V CA -0.011 62.257 62.300 -0.054 0.000 0.894 624 V CB 1.714 33.582 31.823 0.074 0.000 1.008 624 V HN 0.815 nan 8.190 nan 0.000 0.425 625 G N 3.813 112.202 108.800 -0.686 0.000 2.488 625 G HA2 0.775 4.735 3.960 0.000 0.000 0.301 625 G HA3 0.775 4.735 3.960 0.000 0.000 0.301 625 G C -1.693 172.822 174.900 -0.642 0.000 1.339 625 G CA -0.405 44.283 45.100 -0.686 0.000 0.803 625 G HN 1.090 nan 8.290 nan 0.000 0.482 626 F N -0.605 119.265 119.950 -0.133 0.000 2.631 626 F HA 0.749 5.276 4.527 0.000 0.000 0.308 626 F C -0.660 175.275 175.800 0.225 0.000 1.097 626 F CA -1.368 56.694 58.000 0.102 0.000 0.952 626 F CB 1.721 40.752 39.000 0.051 0.000 1.307 626 F HN 0.654 nan 8.300 nan 0.000 0.450 627 N N 0.833 119.812 118.700 0.465 0.000 2.328 627 N HA 0.709 5.449 4.740 0.000 0.000 0.299 627 N C -2.031 173.615 175.510 0.228 0.000 1.179 627 N CA -0.989 52.248 53.050 0.311 0.000 0.793 627 N CB 2.940 41.560 38.487 0.222 0.000 1.366 627 N HN 0.505 nan 8.380 nan 0.000 0.493 628 V N 0.774 120.739 119.914 0.084 0.000 2.407 628 V HA 0.275 4.395 4.120 0.000 0.000 0.291 628 V C -0.648 175.287 176.094 -0.265 0.000 1.018 628 V CA -0.565 61.623 62.300 -0.187 0.000 0.842 628 V CB 1.167 32.816 31.823 -0.289 0.000 0.996 628 V HN 0.684 nan 8.190 nan 0.000 0.426 629 Q N 3.472 123.109 119.800 -0.272 0.000 2.454 629 Q HA 0.472 4.812 4.340 0.000 0.000 0.255 629 Q C -0.844 175.002 176.000 -0.257 0.000 1.034 629 Q CA -0.412 55.250 55.803 -0.236 0.000 0.736 629 Q CB 1.909 30.580 28.738 -0.113 0.000 1.210 629 Q HN 0.680 nan 8.270 nan 0.000 0.500 630 Q N 3.380 122.992 119.800 -0.313 0.000 2.401 630 Q HA 0.381 4.721 4.340 0.000 0.000 0.260 630 Q C -2.671 173.250 176.000 -0.132 0.000 1.034 630 Q CA -2.103 53.562 55.803 -0.230 0.000 0.737 630 Q CB 1.312 29.817 28.738 -0.389 0.000 1.227 630 Q HN 0.218 nan 8.270 nan 0.000 0.488 631 P HA 0.142 nan 4.420 nan 0.000 0.272 631 P C -1.042 176.251 177.300 -0.013 0.000 1.223 631 P CA 0.045 63.119 63.100 -0.044 0.000 0.784 631 P CB 0.525 32.210 31.700 -0.025 0.000 0.923 632 D N -0.021 120.380 120.400 0.002 0.000 3.278 632 D HA -0.167 4.473 4.640 0.000 0.000 0.233 632 D C 0.275 176.588 176.300 0.022 0.000 1.149 632 D CA 0.502 54.526 54.000 0.040 0.000 0.957 632 D CB -0.851 39.980 40.800 0.051 0.000 0.913 632 D HN 0.236 nan 8.370 nan 0.000 0.409 633 L N -0.529 120.678 121.223 -0.027 0.000 2.327 633 L HA 0.228 4.568 4.340 0.000 0.000 0.192 633 L C 2.022 178.790 176.870 -0.170 0.000 1.158 633 L CA 0.958 55.650 54.840 -0.247 0.000 0.813 633 L CB -0.102 41.630 42.059 -0.545 0.000 1.021 633 L HN 0.402 nan 8.230 nan 0.000 0.481 634 W N -1.559 119.774 121.300 0.055 0.000 2.674 634 W HA 0.133 4.793 4.660 0.000 0.000 0.298 634 W C 0.541 177.293 176.519 0.389 0.000 1.115 634 W CA -0.893 56.506 57.345 0.090 0.000 1.532 634 W CB -0.096 29.256 29.460 -0.180 0.000 1.142 634 W HN -0.105 nan 8.180 nan 0.000 0.528 635 F N 1.156 121.340 119.950 0.389 0.000 2.410 635 F HA 0.285 4.812 4.527 0.000 0.000 0.324 635 F C 0.448 176.338 175.800 0.151 0.000 1.093 635 F CA -2.435 55.707 58.000 0.236 0.000 1.028 635 F CB -0.501 38.626 39.000 0.212 0.000 1.309 635 F HN -0.221 nan 8.300 nan 0.000 0.499 636 E N -0.149 120.238 120.200 0.311 0.000 2.259 636 E HA 0.422 4.772 4.350 0.000 0.000 0.281 636 E C 0.633 177.305 176.600 0.120 0.000 1.027 636 E CA 0.442 56.942 56.400 0.168 0.000 0.838 636 E CB 0.677 30.447 29.700 0.117 0.000 1.066 636 E HN 0.814 nan 8.360 nan 0.000 0.401 637 G N 4.115 112.955 108.800 0.067 0.000 2.176 637 G HA2 -0.245 3.715 3.960 0.000 0.000 0.253 637 G HA3 -0.245 3.715 3.960 0.000 0.000 0.253 637 G C -0.133 174.752 174.900 -0.025 0.000 0.979 637 G CA 0.322 45.433 45.100 0.019 0.000 0.641 637 G HN 0.753 nan 8.290 nan 0.000 0.530 638 D N -0.670 119.719 120.400 -0.018 0.000 2.383 638 D HA 0.642 5.282 4.640 0.000 0.000 0.248 638 D C 0.369 176.597 176.300 -0.120 0.000 1.170 638 D CA -0.671 53.251 54.000 -0.129 0.000 0.977 638 D CB 0.627 41.356 40.800 -0.117 0.000 1.120 638 D HN 0.292 nan 8.370 nan 0.000 0.481 639 R N -0.162 120.213 120.500 -0.207 0.000 2.539 639 R HA 0.341 4.681 4.340 0.000 0.000 0.295 639 R C -1.240 174.990 176.300 -0.117 0.000 1.138 639 R CA -0.864 55.145 56.100 -0.153 0.000 0.936 639 R CB 1.131 31.328 30.300 -0.171 0.000 1.182 639 R HN 0.417 nan 8.270 nan 0.000 0.459 640 L N 3.629 124.828 121.223 -0.039 0.000 2.350 640 L HA 0.638 4.978 4.340 0.000 0.000 0.275 640 L C -0.997 175.725 176.870 -0.248 0.000 1.099 640 L CA -0.141 54.667 54.840 -0.055 0.000 0.808 640 L CB 1.650 43.621 42.059 -0.147 0.000 1.149 640 L HN 0.381 nan 8.230 nan 0.000 0.442 641 V N 4.501 124.230 119.914 -0.307 0.000 2.969 641 V HA 0.955 5.075 4.120 0.000 0.000 0.304 641 V C -1.153 174.652 176.094 -0.481 0.000 1.192 641 V CA 0.281 62.248 62.300 -0.554 0.000 0.962 641 V CB 1.916 33.197 31.823 -0.904 0.000 1.045 641 V HN 1.223 nan 8.190 nan 0.000 0.428 642 A N 5.028 127.653 122.820 -0.325 0.000 2.608 642 A HA 0.896 5.216 4.320 0.000 0.000 0.292 642 A C -1.426 176.311 177.584 0.256 0.000 1.066 642 A CA -0.719 51.349 52.037 0.052 0.000 0.676 642 A CB 2.178 21.213 19.000 0.059 0.000 1.277 642 A HN 0.767 nan 8.150 nan 0.000 0.413 643 K N 0.873 121.388 120.400 0.193 0.000 2.553 643 K HA 0.631 4.951 4.320 0.000 0.000 0.250 643 K C -2.003 174.506 176.600 -0.152 0.000 0.953 643 K CA -0.390 55.909 56.287 0.020 0.000 0.800 643 K CB 2.192 34.679 32.500 -0.021 0.000 1.243 643 K HN 0.570 nan 8.250 nan 0.000 0.435 644 V N 2.558 122.190 119.914 -0.470 0.000 2.531 644 V HA 0.784 4.904 4.120 0.000 0.000 0.301 644 V C -0.753 175.063 176.094 -0.463 0.000 1.034 644 V CA -0.750 61.227 62.300 -0.538 0.000 0.865 644 V CB 1.423 32.804 31.823 -0.736 0.000 0.995 644 V HN 0.894 nan 8.190 nan 0.000 0.424 645 A N 4.128 126.790 122.820 -0.264 0.000 2.454 645 A HA 0.859 5.179 4.320 0.000 0.000 0.302 645 A C -1.796 175.802 177.584 0.023 0.000 1.079 645 A CA -0.633 51.346 52.037 -0.097 0.000 0.731 645 A CB 1.693 20.718 19.000 0.043 0.000 1.299 645 A HN 0.957 nan 8.150 nan 0.000 0.413 646 Y N 1.855 122.122 120.300 -0.055 0.000 2.350 646 Y HA 0.644 5.194 4.550 0.000 0.000 0.338 646 Y C -1.166 174.778 175.900 0.074 0.000 0.961 646 Y CA -1.128 56.939 58.100 -0.054 0.000 1.100 646 Y CB 1.175 39.570 38.460 -0.108 0.000 1.179 646 Y HN 0.727 nan 8.280 nan 0.000 0.454 647 F N 2.946 122.541 119.950 -0.590 0.000 2.546 647 F HA 0.620 5.147 4.527 0.000 0.000 0.320 647 F C -1.348 174.094 175.800 -0.596 0.000 1.076 647 F CA -1.399 56.339 58.000 -0.437 0.000 0.928 647 F CB 1.723 40.609 39.000 -0.189 0.000 1.189 647 F HN 0.391 nan 8.300 nan 0.000 0.465 648 D N 1.726 122.015 120.400 -0.186 0.000 2.405 648 D HA 0.242 4.882 4.640 0.000 0.000 0.264 648 D C -1.218 175.178 176.300 0.161 0.000 1.240 648 D CA -0.061 53.888 54.000 -0.085 0.000 0.893 648 D CB 1.046 41.808 40.800 -0.064 0.000 1.198 648 D HN 0.628 nan 8.370 nan 0.000 0.514 649 T N 2.771 117.465 114.554 0.234 0.000 2.794 649 T HA 0.228 4.578 4.350 0.000 0.000 0.296 649 T C -0.042 174.808 174.700 0.250 0.000 0.949 649 T CA -0.258 61.976 62.100 0.223 0.000 1.101 649 T CB 0.882 69.866 68.868 0.194 0.000 0.905 649 T HN 0.226 nan 8.240 nan 0.000 0.516 650 K N 3.767 124.287 120.400 0.199 0.000 2.483 650 K HA 0.550 4.870 4.320 0.000 0.000 0.256 650 K C -1.190 175.512 176.600 0.171 0.000 0.961 650 K CA -0.620 55.771 56.287 0.173 0.000 0.873 650 K CB 0.800 33.392 32.500 0.152 0.000 1.107 650 K HN 0.358 nan 8.250 nan 0.000 0.432 651 V N 2.535 122.566 119.914 0.195 0.000 2.732 651 V HA 0.440 4.560 4.120 0.000 0.000 0.310 651 V C -0.623 175.573 176.094 0.171 0.000 1.053 651 V CA -0.815 61.609 62.300 0.207 0.000 0.957 651 V CB 1.724 33.747 31.823 0.332 0.000 1.018 651 V HN 0.969 nan 8.190 nan 0.000 0.452 652 D N 0.812 121.310 120.400 0.162 0.000 2.601 652 D HA 0.483 5.123 4.640 0.000 0.000 0.230 652 D C -0.271 176.115 176.300 0.144 0.000 1.106 652 D CA -0.871 53.214 54.000 0.141 0.000 0.873 652 D CB 1.219 42.081 40.800 0.103 0.000 1.515 652 D HN 0.394 nan 8.370 nan 0.000 0.468 653 N N -1.239 117.546 118.700 0.141 0.000 2.952 653 N HA -0.218 4.522 4.740 0.000 0.000 0.245 653 N C -1.056 174.542 175.510 0.147 0.000 1.029 653 N CA 0.125 53.245 53.050 0.116 0.000 0.870 653 N CB -2.482 36.039 38.487 0.057 0.000 1.121 653 N HN 0.620 nan 8.380 nan 0.000 0.559 654 Y N 1.722 122.070 120.300 0.080 0.000 2.815 654 Y HA 0.020 4.571 4.550 0.000 0.000 0.346 654 Y C 1.320 177.272 175.900 0.088 0.000 1.267 654 Y CA -0.430 57.720 58.100 0.084 0.000 1.604 654 Y CB 0.149 38.684 38.460 0.125 0.000 1.218 654 Y HN 0.203 nan 8.280 nan 0.000 0.527 655 I N 4.321 124.786 120.570 -0.175 0.000 2.648 655 I HA 0.204 4.375 4.170 0.000 0.000 0.284 655 I C -0.699 175.379 176.117 -0.066 0.000 1.153 655 I CA -0.368 60.878 61.300 -0.090 0.000 1.426 655 I CB 0.546 38.434 38.000 -0.187 0.000 1.381 655 I HN 0.523 nan 8.210 nan 0.000 0.571 656 N N 4.945 123.652 118.700 0.012 0.000 2.264 656 N HA 0.329 5.069 4.740 0.000 0.000 0.288 656 N C -1.476 173.983 175.510 -0.086 0.000 1.094 656 N CA -0.774 52.199 53.050 -0.129 0.000 0.817 656 N CB 2.409 40.508 38.487 -0.648 0.000 1.604 656 N HN 0.606 nan 8.380 nan 0.000 0.473 657 L N 2.272 123.389 121.223 -0.177 0.000 2.500 657 L HA 0.359 4.699 4.340 0.000 0.000 0.272 657 L C -0.204 176.496 176.870 -0.284 0.000 1.149 657 L CA 0.160 54.675 54.840 -0.541 0.000 0.897 657 L CB -0.227 41.451 42.059 -0.636 0.000 1.178 657 L HN 0.633 nan 8.230 nan 0.000 0.473 658 A N 6.715 129.385 122.820 -0.250 0.000 2.337 658 A HA 0.705 5.025 4.320 0.000 0.000 0.329 658 A C -0.043 177.427 177.584 -0.190 0.000 1.146 658 A CA -0.770 51.205 52.037 -0.104 0.000 0.800 658 A CB 0.692 19.776 19.000 0.139 0.000 1.220 658 A HN 0.851 nan 8.150 nan 0.000 0.472 659 I N -1.355 119.120 120.570 -0.159 0.000 3.783 659 I HA 0.575 4.745 4.170 0.000 0.000 0.272 659 I C 0.372 176.452 176.117 -0.061 0.000 1.329 659 I CA -0.300 60.890 61.300 -0.183 0.000 0.887 659 I CB 0.220 38.064 38.000 -0.261 0.000 1.596 659 I HN 0.678 nan 8.210 nan 0.000 0.712 660 D N 1.138 121.520 120.400 -0.031 0.000 2.720 660 D HA -0.172 4.468 4.640 0.000 0.000 0.229 660 D C -0.631 175.702 176.300 0.056 0.000 1.198 660 D CA 0.688 54.706 54.000 0.029 0.000 0.639 660 D CB -0.256 40.578 40.800 0.057 0.000 1.003 660 D HN 0.434 nan 8.370 nan 0.000 0.411 661 R N 1.230 121.757 120.500 0.045 0.000 2.668 661 R HA 0.490 4.830 4.340 0.000 0.000 0.279 661 R C 0.383 176.794 176.300 0.185 0.000 0.976 661 R CA -0.662 55.514 56.100 0.126 0.000 0.978 661 R CB 1.098 31.386 30.300 -0.020 0.000 1.133 661 R HN 0.441 nan 8.270 nan 0.000 0.484 662 N N 1.282 120.130 118.700 0.247 0.000 2.354 662 N HA 0.259 4.999 4.740 0.000 0.000 0.287 662 N C -0.793 174.741 175.510 0.039 0.000 1.016 662 N CA -0.763 52.362 53.050 0.124 0.000 0.871 662 N CB 2.169 40.687 38.487 0.051 0.000 1.299 662 N HN 0.233 nan 8.380 nan 0.000 0.482 663 K N 1.242 121.613 120.400 -0.049 0.000 2.234 663 K HA 0.171 4.491 4.320 0.000 0.000 0.251 663 K C -2.256 174.137 176.600 -0.345 0.000 1.011 663 K CA -0.993 55.144 56.287 -0.251 0.000 0.889 663 K CB -0.230 32.151 32.500 -0.198 0.000 1.011 663 K HN 0.349 nan 8.250 nan 0.000 0.505 664 P HA -0.068 nan 4.420 nan 0.000 0.271 664 P C 0.331 177.280 177.300 -0.585 0.000 1.233 664 P CA 0.771 63.455 63.100 -0.693 0.000 0.795 664 P CB 0.294 31.311 31.700 -1.137 0.000 0.936 665 G N -1.070 107.467 108.800 -0.438 0.000 2.512 665 G HA2 -0.170 3.790 3.960 0.000 0.000 0.210 665 G HA3 -0.170 3.790 3.960 0.000 0.000 0.210 665 G C -0.862 173.993 174.900 -0.074 0.000 1.295 665 G CA -0.679 44.377 45.100 -0.074 0.000 0.934 665 G HN 0.555 nan 8.290 nan 0.000 0.554 666 L N 0.027 121.233 121.223 -0.029 0.000 2.473 666 L HA 0.366 4.706 4.340 0.000 0.000 0.268 666 L C 1.359 178.192 176.870 -0.063 0.000 1.215 666 L CA -0.701 54.076 54.840 -0.104 0.000 0.823 666 L CB 0.567 42.576 42.059 -0.083 0.000 1.099 666 L HN 0.446 nan 8.230 nan 0.000 0.483 667 V N 2.268 122.141 119.914 -0.069 0.000 2.420 667 V HA -0.046 4.074 4.120 0.000 0.000 0.274 667 V C 0.324 176.424 176.094 0.009 0.000 1.003 667 V CA 0.483 62.768 62.300 -0.025 0.000 1.092 667 V CB 0.189 32.006 31.823 -0.010 0.000 1.002 667 V HN 0.736 nan 8.190 nan 0.000 0.473 668 Q N 6.752 126.559 119.800 0.011 0.000 2.771 668 Q HA 0.386 4.726 4.340 0.000 0.000 0.247 668 Q C -2.558 173.460 176.000 0.030 0.000 0.986 668 Q CA -1.558 54.262 55.803 0.028 0.000 0.713 668 Q CB 1.511 30.272 28.738 0.037 0.000 1.241 668 Q HN 0.553 nan 8.270 nan 0.000 0.488 669 P HA 0.077 nan 4.420 nan 0.000 0.266 669 P C -1.061 176.265 177.300 0.044 0.000 1.195 669 P CA -0.017 63.104 63.100 0.035 0.000 0.768 669 P CB 1.076 32.795 31.700 0.032 0.000 0.838 670 S N 0.846 116.576 115.700 0.050 0.000 2.325 670 S HA 0.381 4.851 4.470 0.000 0.000 0.228 670 S C 1.113 175.745 174.600 0.053 0.000 0.942 670 S CA -0.146 58.088 58.200 0.056 0.000 1.070 670 S CB -0.224 63.018 63.200 0.069 0.000 1.232 670 S HN 0.573 nan 8.310 nan 0.000 0.405 671 G N 2.237 111.066 108.800 0.047 0.000 2.470 671 G HA2 -0.035 3.925 3.960 0.000 0.000 0.220 671 G HA3 -0.035 3.925 3.960 0.000 0.000 0.220 671 G C 1.281 176.188 174.900 0.010 0.000 1.121 671 G CA 0.843 45.965 45.100 0.036 0.000 0.766 671 G HN 0.869 nan 8.290 nan 0.000 0.553 672 G N 0.047 108.862 108.800 0.026 0.000 2.744 672 G HA2 -0.047 3.914 3.960 0.000 0.000 0.211 672 G HA3 -0.047 3.914 3.960 0.000 0.000 0.211 672 G C 0.552 175.461 174.900 0.014 0.000 1.143 672 G CA -0.412 44.693 45.100 0.008 0.000 0.788 672 G HN 0.289 nan 8.290 nan 0.000 0.534 673 N N 1.572 120.305 118.700 0.055 0.000 2.406 673 N HA 0.450 5.191 4.740 0.000 0.000 0.274 673 N C -0.066 175.439 175.510 -0.008 0.000 1.249 673 N CA 0.213 53.331 53.050 0.112 0.000 0.951 673 N CB 1.022 39.552 38.487 0.072 0.000 1.241 673 N HN 0.274 nan 8.380 nan 0.000 0.485 674 A N 1.338 124.144 122.820 -0.023 0.000 2.350 674 A HA 0.927 5.247 4.320 0.000 0.000 0.324 674 A C -0.643 176.763 177.584 -0.296 0.000 1.118 674 A CA -0.584 51.321 52.037 -0.220 0.000 0.783 674 A CB 1.275 20.087 19.000 -0.314 0.000 1.236 674 A HN 0.599 nan 8.150 nan 0.000 0.457 675 A N 0.700 123.216 122.820 -0.507 0.000 2.604 675 A HA 0.639 4.959 4.320 0.000 0.000 0.295 675 A C -1.643 175.644 177.584 -0.494 0.000 1.067 675 A CA -0.548 51.111 52.037 -0.629 0.000 0.683 675 A CB 0.520 18.668 19.000 -1.421 0.000 1.281 675 A HN 0.767 nan 8.150 nan 0.000 0.407 676 Y N 0.640 120.781 120.300 -0.266 0.000 2.335 676 Y HA 0.449 4.999 4.550 0.000 0.000 0.331 676 Y C 0.833 176.664 175.900 -0.114 0.000 1.094 676 Y CA 0.535 58.536 58.100 -0.165 0.000 1.253 676 Y CB 1.451 39.813 38.460 -0.164 0.000 1.203 676 Y HN 0.814 nan 8.280 nan 0.000 0.508 677 V N 0.036 120.022 119.914 0.120 0.000 3.114 677 V HA 0.535 4.655 4.120 0.000 0.000 0.308 677 V C -1.005 175.208 176.094 0.199 0.000 1.168 677 V CA -1.508 60.882 62.300 0.150 0.000 1.015 677 V CB 2.060 33.977 31.823 0.157 0.000 1.050 677 V HN 0.757 nan 8.190 nan 0.000 0.433 678 N N 2.842 121.632 118.700 0.150 0.000 2.488 678 N HA 0.267 5.007 4.740 0.000 0.000 0.274 678 N C -0.369 175.245 175.510 0.172 0.000 1.111 678 N CA -0.414 52.722 53.050 0.142 0.000 0.974 678 N CB 0.510 39.045 38.487 0.080 0.000 1.089 678 N HN 0.834 nan 8.380 nan 0.000 0.465 679 N N 2.238 121.103 118.700 0.274 0.000 2.492 679 N HA 0.009 4.749 4.740 0.000 0.000 0.260 679 N C 0.352 175.890 175.510 0.047 0.000 1.215 679 N CA 0.223 53.386 53.050 0.187 0.000 0.923 679 N CB 0.651 39.364 38.487 0.377 0.000 1.092 679 N HN 0.485 nan 8.380 nan 0.000 0.448 680 L N 0.722 121.907 121.223 -0.064 0.000 2.592 680 L HA 0.170 4.510 4.340 0.000 0.000 0.227 680 L C 0.603 177.458 176.870 -0.025 0.000 1.127 680 L CA 0.129 54.941 54.840 -0.048 0.000 0.884 680 L CB -0.085 41.917 42.059 -0.096 0.000 1.065 680 L HN 0.318 nan 8.230 nan 0.000 0.457 681 S N -0.668 115.024 115.700 -0.013 0.000 2.690 681 S HA 0.401 4.871 4.470 0.000 0.000 0.291 681 S C -0.088 174.529 174.600 0.029 0.000 1.138 681 S CA -0.839 57.360 58.200 -0.002 0.000 1.013 681 S CB 1.365 64.555 63.200 -0.017 0.000 1.053 681 S HN -0.030 nan 8.310 nan 0.000 0.539 682 K N 2.434 122.844 120.400 0.017 0.000 2.322 682 K HA 0.271 4.591 4.320 0.000 0.000 0.283 682 K C -0.255 176.327 176.600 -0.030 0.000 1.042 682 K CA 0.037 56.336 56.287 0.020 0.000 0.958 682 K CB 0.227 32.740 32.500 0.022 0.000 0.984 682 K HN 0.518 nan 8.250 nan 0.000 0.473 683 T N 3.800 118.324 114.554 -0.050 0.000 2.799 683 T HA 0.411 4.761 4.350 0.000 0.000 0.286 683 T C 0.314 174.843 174.700 -0.285 0.000 0.973 683 T CA -0.802 61.153 62.100 -0.242 0.000 1.035 683 T CB 0.933 69.584 68.868 -0.361 0.000 0.932 683 T HN 0.537 nan 8.240 nan 0.000 0.469 684 R N 2.287 122.499 120.500 -0.481 0.000 2.533 684 R HA 0.497 4.837 4.340 0.000 0.000 0.288 684 R C -1.966 174.053 176.300 -0.468 0.000 1.039 684 R CA -0.789 55.125 56.100 -0.310 0.000 0.909 684 R CB 0.942 31.187 30.300 -0.091 0.000 1.195 684 R HN 0.481 nan 8.270 nan 0.000 0.438 685 F N 4.104 124.047 119.950 -0.012 0.000 2.411 685 F HA 0.561 5.088 4.527 0.000 0.000 0.352 685 F C 0.384 176.245 175.800 0.101 0.000 1.123 685 F CA -0.777 57.255 58.000 0.053 0.000 1.044 685 F CB 1.558 40.602 39.000 0.073 0.000 1.135 685 F HN 0.539 nan 8.300 nan 0.000 0.461 686 R N 1.814 122.358 120.500 0.074 0.000 2.680 686 R HA 0.958 5.298 4.340 0.000 0.000 0.269 686 R C -0.932 174.957 176.300 -0.686 0.000 1.026 686 R CA -1.110 54.695 56.100 -0.491 0.000 0.889 686 R CB 2.130 32.252 30.300 -0.295 0.000 1.241 686 R HN 0.833 nan 8.270 nan 0.000 0.463 687 G N 0.962 108.917 108.800 -1.408 0.000 2.335 687 G HA2 0.367 4.327 3.960 0.000 0.000 0.291 687 G HA3 0.367 4.327 3.960 0.000 0.000 0.291 687 G C -2.056 172.652 174.900 -0.320 0.000 1.261 687 G CA -0.989 43.800 45.100 -0.520 0.000 0.871 687 G HN 0.412 nan 8.290 nan 0.000 0.491 688 L N 0.459 121.745 121.223 0.106 0.000 2.410 688 L HA 0.554 4.894 4.340 0.000 0.000 0.270 688 L C -0.688 176.186 176.870 0.007 0.000 0.983 688 L CA -0.616 54.248 54.840 0.040 0.000 0.822 688 L CB 2.462 44.475 42.059 -0.076 0.000 1.285 688 L HN 0.579 nan 8.230 nan 0.000 0.409 689 E N 2.600 122.722 120.200 -0.131 0.000 2.171 689 E HA 0.447 4.797 4.350 0.000 0.000 0.271 689 E C -1.767 174.613 176.600 -0.367 0.000 0.916 689 E CA -0.626 55.698 56.400 -0.126 0.000 0.774 689 E CB 1.939 31.617 29.700 -0.036 0.000 1.128 689 E HN 0.299 nan 8.360 nan 0.000 0.403 690 Y N 1.804 122.181 120.300 0.129 0.000 2.341 690 Y HA 0.261 4.811 4.550 0.000 0.000 0.338 690 Y C -0.078 175.875 175.900 0.088 0.000 0.965 690 Y CA -0.894 57.265 58.100 0.099 0.000 1.108 690 Y CB 1.502 40.047 38.460 0.142 0.000 1.180 690 Y HN 0.302 nan 8.280 nan 0.000 0.458 691 Q N 4.420 124.332 119.800 0.188 0.000 2.271 691 Q HA 0.737 5.077 4.340 0.000 0.000 0.268 691 Q C -1.830 174.283 176.000 0.187 0.000 1.021 691 Q CA -1.008 54.889 55.803 0.157 0.000 0.802 691 Q CB 3.243 32.025 28.738 0.074 0.000 1.282 691 Q HN 0.821 nan 8.270 nan 0.000 0.431 692 L N 2.494 123.814 121.223 0.162 0.000 2.543 692 L HA 0.578 4.919 4.340 0.000 0.000 0.265 692 L C -2.205 174.713 176.870 0.080 0.000 0.945 692 L CA -0.407 54.497 54.840 0.106 0.000 0.869 692 L CB 2.455 44.578 42.059 0.106 0.000 1.294 692 L HN 0.834 nan 8.230 nan 0.000 0.405 693 N N 2.824 121.525 118.700 0.002 0.000 2.399 693 N HA 0.385 5.125 4.740 0.000 0.000 0.284 693 N C -2.030 173.491 175.510 0.020 0.000 1.025 693 N CA -0.360 52.701 53.050 0.019 0.000 0.885 693 N CB 1.373 39.851 38.487 -0.015 0.000 1.339 693 N HN 0.508 nan 8.380 nan 0.000 0.487 694 Y N 2.634 122.904 120.300 -0.051 0.000 2.328 694 Y HA 0.445 4.995 4.550 0.000 0.000 0.337 694 Y C -1.223 174.634 175.900 -0.072 0.000 0.966 694 Y CA -1.032 57.011 58.100 -0.095 0.000 1.136 694 Y CB 1.175 39.588 38.460 -0.079 0.000 1.170 694 Y HN 0.489 nan 8.280 nan 0.000 0.470 695 D N 5.416 125.403 120.400 -0.689 0.000 2.464 695 D HA 0.516 5.156 4.640 0.000 0.000 0.243 695 D C -0.935 174.828 176.300 -0.894 0.000 1.104 695 D CA -0.118 53.497 54.000 -0.641 0.000 0.883 695 D CB 0.695 41.275 40.800 -0.368 0.000 1.050 695 D HN 0.728 nan 8.370 nan 0.000 0.524 696 A N 1.920 124.076 122.820 -1.108 0.000 2.279 696 A HA 0.617 4.937 4.320 0.000 0.000 0.303 696 A C 1.534 178.898 177.584 -0.366 0.000 1.108 696 A CA -0.005 51.617 52.037 -0.692 0.000 0.830 696 A CB 0.973 19.510 19.000 -0.773 0.000 1.106 696 A HN 0.545 nan 8.150 nan 0.000 0.493 697 G N -0.317 108.397 108.800 -0.143 0.000 2.459 697 G HA2 -0.141 3.819 3.960 0.000 0.000 0.217 697 G HA3 -0.141 3.819 3.960 0.000 0.000 0.217 697 G C 1.080 176.004 174.900 0.039 0.000 1.183 697 G CA 1.680 46.749 45.100 -0.051 0.000 0.776 697 G HN 0.919 nan 8.290 nan 0.000 0.552 698 V N -0.609 119.396 119.914 0.152 0.000 2.951 698 V HA 0.321 4.441 4.120 0.000 0.000 0.255 698 V C 0.703 177.048 176.094 0.418 0.000 1.088 698 V CA 0.968 63.434 62.300 0.278 0.000 1.109 698 V CB -1.247 30.780 31.823 0.339 0.000 0.724 698 V HN 0.415 nan 8.190 nan 0.000 0.471 699 F N -0.205 119.874 119.950 0.215 0.000 2.645 699 F HA 0.788 5.315 4.527 0.000 0.000 0.310 699 F C -1.013 174.963 175.800 0.294 0.000 1.102 699 F CA -2.287 55.866 58.000 0.255 0.000 0.952 699 F CB 1.247 40.347 39.000 0.166 0.000 1.326 699 F HN 0.082 nan 8.300 nan 0.000 0.456 700 Y N -0.065 120.277 120.300 0.071 0.000 2.638 700 Y HA 0.951 5.501 4.550 0.000 0.000 0.335 700 Y C -1.570 174.415 175.900 0.141 0.000 1.155 700 Y CA -1.705 56.361 58.100 -0.058 0.000 1.046 700 Y CB 1.578 39.969 38.460 -0.115 0.000 1.303 700 Y HN 1.102 nan 8.280 nan 0.000 0.460 701 A N 1.708 124.628 122.820 0.167 0.000 2.455 701 A HA 0.566 4.886 4.320 0.000 0.000 0.300 701 A C -2.145 175.529 177.584 0.151 0.000 1.040 701 A CA -0.522 51.590 52.037 0.125 0.000 0.697 701 A CB 1.734 20.849 19.000 0.191 0.000 1.265 701 A HN 0.837 nan 8.150 nan 0.000 0.407 702 D N 0.706 121.181 120.400 0.125 0.000 2.252 702 D HA 0.725 5.365 4.640 0.000 0.000 0.245 702 D C -1.173 175.206 176.300 0.131 0.000 1.009 702 D CA -0.120 53.959 54.000 0.131 0.000 0.870 702 D CB 1.377 42.255 40.800 0.130 0.000 1.251 702 D HN 0.440 nan 8.370 nan 0.000 0.460 703 L N 2.237 123.541 121.223 0.135 0.000 2.505 703 L HA 0.551 4.891 4.340 0.000 0.000 0.266 703 L C -1.206 175.765 176.870 0.167 0.000 0.954 703 L CA -0.226 54.710 54.840 0.159 0.000 0.852 703 L CB 2.021 44.170 42.059 0.149 0.000 1.282 703 L HN 0.650 nan 8.230 nan 0.000 0.403 704 T N 0.479 115.142 114.554 0.181 0.000 2.916 704 T HA 0.624 4.974 4.350 0.000 0.000 0.298 704 T C -1.294 173.542 174.700 0.226 0.000 1.031 704 T CA -0.710 61.484 62.100 0.157 0.000 0.993 704 T CB 1.753 70.645 68.868 0.040 0.000 1.045 704 T HN 0.468 nan 8.240 nan 0.000 0.454 705 Y N 0.930 121.308 120.300 0.130 0.000 2.442 705 Y HA 0.509 5.059 4.550 0.000 0.000 0.330 705 Y C -1.102 174.918 175.900 0.201 0.000 1.100 705 Y CA -0.484 57.697 58.100 0.137 0.000 1.034 705 Y CB 2.177 40.776 38.460 0.231 0.000 1.285 705 Y HN 0.949 nan 8.280 nan 0.000 0.440 706 T N 5.273 119.623 114.554 -0.340 0.000 2.779 706 T HA 0.211 4.561 4.350 0.000 0.000 0.280 706 T C -1.320 173.337 174.700 -0.072 0.000 0.987 706 T CA -0.493 61.559 62.100 -0.079 0.000 0.966 706 T CB 0.669 69.485 68.868 -0.086 0.000 0.933 706 T HN 0.563 nan 8.240 nan 0.000 0.442 707 H N 4.634 123.813 119.070 0.183 0.000 2.718 707 H HA 0.326 4.882 4.556 0.000 0.000 0.295 707 H C -0.754 174.647 175.328 0.122 0.000 1.051 707 H CA -0.898 55.289 56.048 0.233 0.000 1.260 707 H CB 0.532 30.539 29.762 0.408 0.000 1.403 707 H HN 0.383 nan 8.280 nan 0.000 0.488 708 M N 5.545 125.107 119.600 -0.063 0.000 2.211 708 M HA 0.274 4.754 4.480 0.000 0.000 0.356 708 M C 0.048 176.315 176.300 -0.055 0.000 1.216 708 M CA -0.297 54.986 55.300 -0.028 0.000 1.134 708 M CB 0.809 33.327 32.600 -0.136 0.000 1.564 708 M HN 0.513 nan 8.290 nan 0.000 0.463 709 I N 1.583 122.162 120.570 0.015 0.000 2.465 709 I HA 0.663 4.833 4.170 0.000 0.000 0.291 709 I C 0.480 176.585 176.117 -0.020 0.000 1.014 709 I CA -0.363 60.959 61.300 0.038 0.000 1.093 709 I CB 1.928 39.989 38.000 0.101 0.000 1.267 709 I HN 0.836 nan 8.210 nan 0.000 0.431 710 G N 5.127 113.916 108.800 -0.019 0.000 2.690 710 G HA2 -0.125 3.835 3.960 0.000 0.000 0.686 710 G HA3 -0.125 3.835 3.960 0.000 0.000 0.686 710 G C -1.216 173.668 174.900 -0.026 0.000 1.277 710 G CA -0.824 44.263 45.100 -0.021 0.000 0.799 710 G HN 0.598 nan 8.290 nan 0.000 0.613 711 K N 0.160 120.563 120.400 0.005 0.000 2.295 711 K HA 0.668 4.988 4.320 0.000 0.000 0.239 711 K C 0.280 176.864 176.600 -0.028 0.000 0.991 711 K CA -0.515 55.795 56.287 0.037 0.000 0.845 711 K CB 1.703 34.270 32.500 0.112 0.000 1.197 711 K HN 0.939 nan 8.250 nan 0.000 0.441 712 N N -0.350 118.318 118.700 -0.054 0.000 2.591 712 N HA 0.192 4.932 4.740 0.000 0.000 0.263 712 N C -1.690 173.778 175.510 -0.070 0.000 1.308 712 N CA -0.967 52.033 53.050 -0.085 0.000 0.837 712 N CB 2.051 40.441 38.487 -0.162 0.000 1.548 712 N HN 0.490 nan 8.380 nan 0.000 0.493 713 E N 0.282 120.456 120.200 -0.042 0.000 2.212 713 E HA 0.398 4.748 4.350 0.000 0.000 0.270 713 E C -1.573 175.063 176.600 0.061 0.000 0.956 713 E CA -0.812 55.583 56.400 -0.009 0.000 0.825 713 E CB 1.846 31.535 29.700 -0.018 0.000 1.167 713 E HN 0.442 nan 8.360 nan 0.000 0.400 714 F N 2.162 122.054 119.950 -0.097 0.000 2.415 714 F HA 0.456 4.983 4.527 0.000 0.000 0.348 714 F C -1.319 174.440 175.800 -0.067 0.000 1.119 714 F CA -1.264 56.692 58.000 -0.073 0.000 1.069 714 F CB 1.105 40.056 39.000 -0.081 0.000 1.124 714 F HN 0.558 nan 8.300 nan 0.000 0.472 715 c N 5.311 123.515 118.600 -0.660 0.000 2.381 715 c HA 0.730 5.300 4.570 0.000 0.000 0.328 715 c C -0.252 173.424 174.090 -0.690 0.000 1.190 715 c CA -0.511 55.469 56.329 -0.581 0.000 1.369 715 c CB 0.038 42.380 42.510 -0.281 0.000 2.029 715 c HN 0.953 nan 8.230 nan 0.000 0.448 716 S N 2.579 117.875 115.700 -0.673 0.000 2.851 716 S HA 0.538 5.008 4.470 0.000 0.000 0.317 716 S C 0.023 174.474 174.600 -0.249 0.000 1.144 716 S CA -0.488 57.447 58.200 -0.441 0.000 0.862 716 S CB 1.191 64.121 63.200 -0.449 0.000 1.259 716 S HN 0.499 nan 8.310 nan 0.000 0.564 717 N N -0.279 118.360 118.700 -0.103 0.000 2.250 717 N HA 0.263 5.003 4.740 0.000 0.000 0.190 717 N C 0.773 176.304 175.510 0.034 0.000 1.116 717 N CA 0.373 53.393 53.050 -0.051 0.000 0.881 717 N CB -0.070 38.421 38.487 0.007 0.000 1.006 717 N HN 0.773 nan 8.380 nan 0.000 0.491 718 K N -1.053 119.408 120.400 0.102 0.000 6.035 718 K HA -0.294 4.026 4.320 0.000 0.000 0.451 718 K C 0.105 176.889 176.600 0.307 0.000 0.399 718 K CA 1.462 57.869 56.287 0.200 0.000 1.899 718 K CB -1.516 31.110 32.500 0.211 0.000 0.814 718 K HN 0.173 nan 8.250 nan 0.000 0.694 719 A N 1.801 124.724 122.820 0.172 0.000 3.163 719 A HA 0.199 4.519 4.320 0.000 0.000 0.283 719 A C 0.165 177.695 177.584 -0.089 0.000 1.412 719 A CA -0.120 51.913 52.037 -0.008 0.000 1.053 719 A CB -0.645 18.326 19.000 -0.048 0.000 1.082 719 A HN 0.396 nan 8.150 nan 0.000 0.639 720 W N -0.553 120.719 121.300 -0.046 0.000 2.456 720 W HA 0.110 4.770 4.660 0.000 0.000 0.343 720 W C 0.373 176.851 176.519 -0.069 0.000 1.211 720 W CA 0.229 57.547 57.345 -0.045 0.000 1.353 720 W CB -0.403 29.048 29.460 -0.014 0.000 1.189 720 W HN 0.406 nan 8.180 nan 0.000 0.587 721 L N 1.218 122.215 121.223 -0.376 0.000 5.134 721 L HA -0.343 3.997 4.340 0.000 0.000 0.407 721 L C 1.611 178.190 176.870 -0.484 0.000 0.869 721 L CA 1.686 56.163 54.840 -0.605 0.000 1.827 721 L CB -1.979 39.410 42.059 -1.116 0.000 1.501 721 L HN 1.277 nan 8.230 nan 0.000 0.610 722 G N -0.702 107.855 108.800 -0.404 0.000 2.582 722 G HA2 -0.035 3.925 3.960 0.000 0.000 0.288 722 G HA3 -0.035 3.925 3.960 0.000 0.000 0.288 722 G C 0.941 175.646 174.900 -0.325 0.000 1.247 722 G CA 0.718 45.644 45.100 -0.290 0.000 0.972 722 G HN 1.934 nan 8.290 nan 0.000 0.557 723 G N -1.446 107.205 108.800 -0.248 0.000 2.323 723 G HA2 -0.157 3.803 3.960 0.000 0.000 0.292 723 G HA3 -0.157 3.803 3.960 0.000 0.000 0.292 723 G C 0.398 175.135 174.900 -0.272 0.000 1.040 723 G CA 1.273 46.222 45.100 -0.252 0.000 0.942 723 G HN 0.885 nan 8.290 nan 0.000 0.506 724 R N -0.618 119.759 120.500 -0.204 0.000 2.308 724 R HA 0.519 4.859 4.340 0.000 0.000 0.305 724 R C 0.753 176.972 176.300 -0.134 0.000 1.053 724 R CA -0.412 55.581 56.100 -0.179 0.000 0.957 724 R CB 0.885 31.103 30.300 -0.138 0.000 1.022 724 R HN 0.354 nan 8.270 nan 0.000 0.461 725 L N 2.622 123.763 121.223 -0.137 0.000 2.334 725 L HA 0.582 4.922 4.340 0.000 0.000 0.275 725 L C 0.534 177.307 176.870 -0.163 0.000 1.036 725 L CA -0.662 54.104 54.840 -0.123 0.000 0.807 725 L CB 1.258 43.248 42.059 -0.114 0.000 1.231 725 L HN 0.343 nan 8.230 nan 0.000 0.438 726 R N 0.978 121.392 120.500 -0.143 0.000 2.673 726 R HA 0.402 4.742 4.340 0.000 0.000 0.281 726 R C -1.519 174.703 176.300 -0.130 0.000 0.991 726 R CA -0.787 55.222 56.100 -0.151 0.000 0.896 726 R CB 1.613 31.883 30.300 -0.049 0.000 1.201 726 R HN 0.362 nan 8.270 nan 0.000 0.457 727 Y N 1.252 121.544 120.300 -0.013 0.000 2.526 727 Y HA 0.182 4.732 4.550 0.000 0.000 0.330 727 Y C 1.361 177.196 175.900 -0.109 0.000 1.156 727 Y CA 0.814 58.872 58.100 -0.070 0.000 1.419 727 Y CB 0.613 39.030 38.460 -0.071 0.000 1.250 727 Y HN 0.719 nan 8.280 nan 0.000 0.540 728 G N 1.379 110.139 108.800 -0.067 0.000 2.516 728 G HA2 0.074 4.034 3.960 0.000 0.000 0.276 728 G HA3 0.074 4.034 3.960 0.000 0.000 0.276 728 G C -0.779 174.014 174.900 -0.179 0.000 1.390 728 G CA -0.848 44.239 45.100 -0.021 0.000 1.050 728 G HN 0.603 nan 8.290 nan 0.000 0.519 729 D N 0.479 120.877 120.400 -0.005 0.000 2.545 729 D HA 0.421 5.061 4.640 0.000 0.000 0.227 729 D C 0.575 176.828 176.300 -0.079 0.000 1.150 729 D CA 0.283 54.273 54.000 -0.017 0.000 1.046 729 D CB 0.284 41.121 40.800 0.061 0.000 1.098 729 D HN 0.510 nan 8.370 nan 0.000 0.502 730 G N -0.360 108.270 108.800 -0.283 0.000 2.519 730 G HA2 0.575 4.535 3.960 0.000 0.000 0.307 730 G HA3 0.575 4.535 3.960 0.000 0.000 0.307 730 G C -0.369 174.337 174.900 -0.323 0.000 1.266 730 G CA -0.708 44.190 45.100 -0.337 0.000 0.970 730 G HN 0.263 nan 8.290 nan 0.000 0.481 731 S N 0.204 115.676 115.700 -0.381 0.000 2.759 731 S HA 0.454 4.924 4.470 0.000 0.000 0.310 731 S C 1.104 175.134 174.600 -0.949 0.000 1.123 731 S CA -0.875 57.041 58.200 -0.473 0.000 0.959 731 S CB 2.069 65.112 63.200 -0.263 0.000 1.172 731 S HN 0.539 nan 8.310 nan 0.000 0.539 732 R N 0.405 120.477 120.500 -0.714 0.000 2.200 732 R HA -0.098 4.242 4.340 0.000 0.000 0.234 732 R C 2.277 178.299 176.300 -0.463 0.000 1.127 732 R CA 1.498 57.196 56.100 -0.670 0.000 0.989 732 R CB -0.372 29.819 30.300 -0.183 0.000 0.869 732 R HN 0.731 nan 8.270 nan 0.000 0.459 733 R N -0.707 119.583 120.500 -0.351 0.000 1.583 733 R HA 0.000 4.340 4.340 0.000 0.000 0.125 733 R C 1.912 178.147 176.300 -0.107 0.000 0.977 733 R CA 1.274 57.280 56.100 -0.157 0.000 1.738 733 R CB -0.912 29.324 30.300 -0.108 0.000 0.679 733 R HN 0.071 nan 8.270 nan 0.000 0.652 734 G N -0.116 108.638 108.800 -0.077 0.000 2.510 734 G HA2 -0.108 3.852 3.960 0.000 0.000 0.212 734 G HA3 -0.108 3.852 3.960 0.000 0.000 0.212 734 G C 0.469 175.364 174.900 -0.008 0.000 1.151 734 G CA -0.212 44.873 45.100 -0.025 0.000 0.817 734 G HN 0.437 nan 8.290 nan 0.000 0.534 735 N N 1.070 119.744 118.700 -0.044 0.000 2.938 735 N HA 0.103 4.843 4.740 0.000 0.000 0.286 735 N C -1.004 174.479 175.510 -0.044 0.000 1.316 735 N CA -0.057 53.035 53.050 0.070 0.000 1.063 735 N CB -0.518 38.025 38.487 0.094 0.000 1.388 735 N HN 0.070 nan 8.380 nan 0.000 0.545 736 F N 1.605 121.578 119.950 0.039 0.000 2.413 736 F HA 0.239 4.766 4.527 0.000 0.000 0.359 736 F C 0.211 176.094 175.800 0.139 0.000 1.122 736 F CA -0.985 57.011 58.000 -0.007 0.000 1.160 736 F CB -0.136 38.829 39.000 -0.057 0.000 1.146 736 F HN 0.102 nan 8.300 nan 0.000 0.514 737 Y N 1.725 122.219 120.300 0.324 0.000 2.571 737 Y HA 0.764 5.314 4.550 0.000 0.000 0.341 737 Y C -1.522 174.532 175.900 0.257 0.000 1.076 737 Y CA -2.012 56.241 58.100 0.256 0.000 1.029 737 Y CB 0.713 39.269 38.460 0.161 0.000 1.308 737 Y HN 0.266 nan 8.280 nan 0.000 0.461 738 V N -0.096 120.034 119.914 0.360 0.000 2.732 738 V HA 0.830 4.950 4.120 0.000 0.000 0.310 738 V C -0.625 175.609 176.094 0.234 0.000 1.053 738 V CA -0.860 61.547 62.300 0.180 0.000 0.957 738 V CB 1.465 33.297 31.823 0.015 0.000 1.018 738 V HN 1.030 nan 8.190 nan 0.000 0.452 739 E N 2.200 122.487 120.200 0.146 0.000 2.369 739 E HA 0.683 5.033 4.350 0.000 0.000 0.270 739 E C -3.168 173.452 176.600 0.033 0.000 0.909 739 E CA -2.589 53.877 56.400 0.111 0.000 0.775 739 E CB 2.240 32.029 29.700 0.148 0.000 1.270 739 E HN 0.432 nan 8.360 nan 0.000 0.445 740 P HA 0.074 nan 4.420 nan 0.000 0.271 740 P C -1.040 176.249 177.300 -0.018 0.000 1.216 740 P CA 0.027 63.117 63.100 -0.017 0.000 0.771 740 P CB 0.430 32.119 31.700 -0.018 0.000 0.864 741 D N 2.568 122.945 120.400 -0.040 0.000 2.485 741 D HA 0.306 4.946 4.640 0.000 0.000 0.229 741 D C 1.069 177.348 176.300 -0.034 0.000 1.101 741 D CA -0.479 53.500 54.000 -0.036 0.000 0.906 741 D CB 0.346 41.114 40.800 -0.053 0.000 1.019 741 D HN 0.210 nan 8.370 nan 0.000 0.516 742 A N 3.365 126.173 122.820 -0.020 0.000 1.933 742 A HA -0.021 4.299 4.320 0.000 0.000 0.218 742 A C 2.140 179.724 177.584 0.001 0.000 1.175 742 A CA 1.638 53.666 52.037 -0.014 0.000 0.628 742 A CB -0.413 18.582 19.000 -0.007 0.000 0.814 742 A HN 0.574 nan 8.150 nan 0.000 0.444 743 A N -0.704 122.118 122.820 0.003 0.000 1.883 743 A HA -0.148 4.172 4.320 0.000 0.000 0.217 743 A C 2.490 180.098 177.584 0.041 0.000 1.186 743 A CA 2.225 54.274 52.037 0.020 0.000 0.624 743 A CB -1.006 17.992 19.000 -0.003 0.000 0.822 743 A HN 0.571 nan 8.150 nan 0.000 0.444 744 S N -0.241 115.456 115.700 -0.005 0.000 2.399 744 S HA -0.156 4.314 4.470 0.000 0.000 0.231 744 S C 1.902 176.535 174.600 0.054 0.000 1.022 744 S CA 1.456 59.655 58.200 -0.001 0.000 0.983 744 S CB -0.565 62.601 63.200 -0.056 0.000 0.803 744 S HN 0.647 nan 8.310 nan 0.000 0.480 745 N N 1.717 120.423 118.700 0.011 0.000 2.135 745 N HA -0.032 4.708 4.740 0.000 0.000 0.186 745 N C 0.868 176.392 175.510 0.023 0.000 1.027 745 N CA 1.354 54.396 53.050 -0.012 0.000 0.849 745 N CB -0.605 37.853 38.487 -0.048 0.000 1.002 745 N HN 0.423 nan 8.380 nan 0.000 0.425 746 D N -0.272 120.155 120.400 0.045 0.000 2.349 746 D HA -0.011 4.629 4.640 0.000 0.000 0.224 746 D C 0.064 176.412 176.300 0.080 0.000 1.029 746 D CA -0.053 53.972 54.000 0.042 0.000 0.879 746 D CB -0.434 40.387 40.800 0.034 0.000 0.906 746 D HN 0.205 nan 8.370 nan 0.000 0.528 747 F N 1.265 121.196 119.950 -0.031 0.000 2.495 747 F HA 0.199 4.726 4.527 0.000 0.000 0.365 747 F C -0.167 175.617 175.800 -0.027 0.000 1.090 747 F CA -0.231 57.755 58.000 -0.025 0.000 1.235 747 F CB 0.624 39.612 39.000 -0.020 0.000 1.119 747 F HN -0.357 nan 8.300 nan 0.000 0.562 748 V N 5.258 124.670 119.914 -0.836 0.000 2.531 748 V HA 0.361 4.481 4.120 0.000 0.000 0.301 748 V C -0.154 175.445 176.094 -0.824 0.000 1.034 748 V CA -0.535 61.376 62.300 -0.649 0.000 0.865 748 V CB 2.056 33.674 31.823 -0.342 0.000 0.995 748 V HN 0.892 nan 8.190 nan 0.000 0.424 749 T N 1.299 115.507 114.554 -0.576 0.000 2.925 749 T HA 0.628 4.978 4.350 0.000 0.000 0.285 749 T C -0.639 173.901 174.700 -0.266 0.000 1.021 749 T CA -0.584 61.290 62.100 -0.376 0.000 1.042 749 T CB 1.582 70.331 68.868 -0.198 0.000 1.037 749 T HN 0.607 nan 8.240 nan 0.000 0.481 750 c N 3.556 122.053 118.600 -0.171 0.000 2.381 750 c HA 0.628 5.199 4.570 0.000 0.000 0.328 750 c C 0.368 174.418 174.090 -0.068 0.000 1.190 750 c CA 0.008 56.252 56.329 -0.143 0.000 1.369 750 c CB -0.292 42.147 42.510 -0.119 0.000 2.029 750 c HN 1.185 nan 8.230 nan 0.000 0.448 751 D N 1.900 122.276 120.400 -0.041 0.000 3.798 751 D HA -0.195 4.445 4.640 0.000 0.000 0.150 751 D C 1.225 177.489 176.300 -0.060 0.000 0.953 751 D CA 2.405 56.391 54.000 -0.024 0.000 1.089 751 D CB -1.181 39.597 40.800 -0.038 0.000 0.535 751 D HN 1.593 nan 8.370 nan 0.000 0.563 752 G N 0.550 109.296 108.800 -0.089 0.000 2.390 752 G HA2 0.148 4.108 3.960 0.000 0.000 0.299 752 G HA3 0.148 4.108 3.960 0.000 0.000 0.299 752 G C 1.062 175.770 174.900 -0.320 0.000 1.002 752 G CA 1.457 46.527 45.100 -0.051 0.000 0.979 752 G HN 1.788 nan 8.290 nan 0.000 0.513 753 G N -1.470 106.882 108.800 -0.747 0.000 2.249 753 G HA2 -0.066 3.894 3.960 0.000 0.000 0.273 753 G HA3 -0.066 3.894 3.960 0.000 0.000 0.273 753 G C 1.182 176.010 174.900 -0.119 0.000 1.036 753 G CA 1.564 46.259 45.100 -0.675 0.000 0.824 753 G HN 2.185 nan 8.290 nan 0.000 0.504 754 T N -3.413 111.125 114.554 -0.027 0.000 3.100 754 T HA 0.201 4.551 4.350 0.000 0.000 0.253 754 T C 1.758 176.522 174.700 0.107 0.000 1.118 754 T CA 1.265 63.413 62.100 0.081 0.000 1.058 754 T CB 0.283 69.223 68.868 0.119 0.000 0.953 754 T HN 0.507 nan 8.240 nan 0.000 0.515 755 Q N 0.782 120.593 119.800 0.018 0.000 1.942 755 Q HA 0.025 4.365 4.340 0.000 0.000 0.203 755 Q C 0.198 176.081 176.000 -0.196 0.000 0.987 755 Q CA 1.218 56.878 55.803 -0.238 0.000 0.844 755 Q CB -0.257 28.285 28.738 -0.325 0.000 0.911 755 Q HN 0.498 nan 8.270 nan 0.000 0.423 756 F N -1.257 118.477 119.950 -0.359 0.000 2.781 756 F HA -0.140 4.387 4.527 0.000 0.000 0.350 756 F C -0.379 175.048 175.800 -0.622 0.000 1.048 756 F CA 0.386 58.188 58.000 -0.329 0.000 1.134 756 F CB -0.957 37.989 39.000 -0.091 0.000 1.440 756 F HN 0.317 nan 8.300 nan 0.000 0.799 757 G N 0.226 108.194 108.800 -1.388 0.000 2.387 757 G HA2 0.379 4.339 3.960 0.000 0.000 0.294 757 G HA3 0.379 4.339 3.960 0.000 0.000 0.294 757 G C 0.098 174.461 174.900 -0.894 0.000 1.509 757 G CA -0.145 44.408 45.100 -0.912 0.000 0.806 757 G HN 0.231 nan 8.290 nan 0.000 0.546 758 S N 0.002 115.507 115.700 -0.325 0.000 2.447 758 S HA -0.007 4.463 4.470 0.000 0.000 0.233 758 S C 2.544 177.192 174.600 0.080 0.000 1.006 758 S CA 1.517 59.686 58.200 -0.052 0.000 0.957 758 S CB -0.074 63.185 63.200 0.098 0.000 0.773 758 S HN 1.274 nan 8.310 nan 0.000 0.507 759 A N 1.320 124.170 122.820 0.049 0.000 2.225 759 A HA 0.245 4.565 4.320 0.000 0.000 0.215 759 A C 2.196 179.766 177.584 -0.024 0.000 1.164 759 A CA 1.133 53.246 52.037 0.128 0.000 0.710 759 A CB -0.741 18.408 19.000 0.249 0.000 0.780 759 A HN 0.487 nan 8.150 nan 0.000 0.473 760 A N -1.441 121.287 122.820 -0.154 0.000 1.978 760 A HA 0.090 4.410 4.320 0.000 0.000 0.220 760 A C 0.722 178.055 177.584 -0.418 0.000 1.170 760 A CA 1.001 52.840 52.037 -0.331 0.000 0.636 760 A CB -0.319 18.459 19.000 -0.371 0.000 0.810 760 A HN 0.553 nan 8.150 nan 0.000 0.448 761 Y N -2.688 117.722 120.300 0.184 0.000 2.545 761 Y HA 0.556 5.106 4.550 0.000 0.000 0.348 761 Y C -0.372 175.756 175.900 0.380 0.000 1.002 761 Y CA -1.337 56.957 58.100 0.323 0.000 1.039 761 Y CB 1.243 39.989 38.460 0.477 0.000 1.271 761 Y HN -0.017 nan 8.280 nan 0.000 0.467 762 L N 3.791 125.299 121.223 0.476 0.000 2.375 762 L HA 0.487 4.827 4.340 0.000 0.000 0.271 762 L C -2.250 174.709 176.870 0.147 0.000 1.107 762 L CA -2.619 52.340 54.840 0.198 0.000 0.806 762 L CB 0.099 42.165 42.059 0.011 0.000 1.146 762 L HN 0.379 nan 8.230 nan 0.000 0.447 763 P HA 0.137 nan 4.420 nan 0.000 0.268 763 P C -0.064 176.969 177.300 -0.445 0.000 1.208 763 P CA -0.180 62.482 63.100 -0.731 0.000 0.777 763 P CB 0.433 30.972 31.700 -1.935 0.000 0.875 764 G N 0.889 109.520 108.800 -0.282 0.000 2.621 764 G HA2 0.163 4.123 3.960 0.000 0.000 0.271 764 G HA3 0.163 4.123 3.960 0.000 0.000 0.271 764 G C -0.595 174.204 174.900 -0.168 0.000 1.236 764 G CA -0.352 44.671 45.100 -0.128 0.000 0.958 764 G HN 0.353 nan 8.290 nan 0.000 0.512 765 D N -0.506 119.805 120.400 -0.148 0.000 2.341 765 D HA 0.503 5.143 4.640 0.000 0.000 0.245 765 D C 0.720 176.852 176.300 -0.282 0.000 1.106 765 D CA 0.405 54.271 54.000 -0.222 0.000 0.905 765 D CB 1.011 41.705 40.800 -0.177 0.000 1.202 765 D HN 0.607 nan 8.370 nan 0.000 0.426 766 R N -0.163 120.023 120.500 -0.524 0.000 2.664 766 R HA 0.762 5.102 4.340 0.000 0.000 0.266 766 R C -0.831 174.942 176.300 -0.878 0.000 1.046 766 R CA -1.097 54.614 56.100 -0.648 0.000 0.885 766 R CB 1.086 31.178 30.300 -0.347 0.000 1.254 766 R HN 0.507 nan 8.270 nan 0.000 0.465 767 G N 0.087 108.261 108.800 -1.044 0.000 2.682 767 G HA2 0.589 4.549 3.960 0.000 0.000 0.303 767 G HA3 0.589 4.549 3.960 0.000 0.000 0.303 767 G C -1.531 172.990 174.900 -0.631 0.000 1.341 767 G CA -0.337 44.342 45.100 -0.701 0.000 0.784 767 G HN 0.983 nan 8.290 nan 0.000 0.497 768 S N -2.041 113.622 115.700 -0.062 0.000 2.569 768 S HA 0.798 5.268 4.470 0.000 0.000 0.280 768 S C -1.595 173.208 174.600 0.338 0.000 1.111 768 S CA -0.822 57.485 58.200 0.179 0.000 0.887 768 S CB 2.014 65.249 63.200 0.057 0.000 1.095 768 S HN 1.561 nan 8.310 nan 0.000 0.476 769 V N 2.139 122.238 119.914 0.307 0.000 2.638 769 V HA 0.870 4.990 4.120 0.000 0.000 0.306 769 V C -0.624 175.553 176.094 0.139 0.000 1.052 769 V CA 0.345 62.760 62.300 0.192 0.000 0.885 769 V CB 2.032 33.932 31.823 0.127 0.000 0.999 769 V HN 1.411 nan 8.190 nan 0.000 0.424 770 T N 5.152 119.774 114.554 0.114 0.000 2.900 770 T HA 0.728 5.078 4.350 0.000 0.000 0.295 770 T C -1.284 173.428 174.700 0.019 0.000 1.044 770 T CA -0.651 61.504 62.100 0.091 0.000 0.995 770 T CB 1.616 70.568 68.868 0.140 0.000 1.072 770 T HN 0.531 nan 8.240 nan 0.000 0.473 771 L N 2.916 124.116 121.223 -0.038 0.000 2.377 771 L HA 0.670 5.010 4.340 0.000 0.000 0.270 771 L C 0.630 177.356 176.870 -0.240 0.000 0.991 771 L CA -0.876 53.903 54.840 -0.103 0.000 0.851 771 L CB 1.539 43.581 42.059 -0.028 0.000 1.218 771 L HN 1.023 nan 8.230 nan 0.000 0.420 772 G N 1.211 109.663 108.800 -0.580 0.000 2.441 772 G HA2 0.710 4.670 3.960 0.000 0.000 0.334 772 G HA3 0.710 4.670 3.960 0.000 0.000 0.334 772 G C -0.591 174.238 174.900 -0.118 0.000 1.161 772 G CA -0.645 44.039 45.100 -0.692 0.000 0.935 772 G HN 0.604 nan 8.290 nan 0.000 0.488 773 G N 0.538 109.460 108.800 0.203 0.000 2.704 773 G HA2 0.542 4.502 3.960 0.000 0.000 0.280 773 G HA3 0.542 4.502 3.960 0.000 0.000 0.280 773 G C -0.337 174.756 174.900 0.323 0.000 1.499 773 G CA -0.737 44.544 45.100 0.303 0.000 1.146 773 G HN 0.605 nan 8.290 nan 0.000 0.558 774 R N 0.531 121.231 120.500 0.333 0.000 2.549 774 R HA 0.861 5.201 4.340 0.000 0.000 0.267 774 R C 0.016 176.463 176.300 0.245 0.000 1.045 774 R CA -0.196 56.053 56.100 0.248 0.000 1.115 774 R CB 1.777 32.176 30.300 0.166 0.000 1.121 774 R HN 0.724 nan 8.270 nan 0.000 0.543 775 A N 0.255 123.233 122.820 0.265 0.000 2.536 775 A HA 0.471 4.791 4.320 0.000 0.000 0.293 775 A C -1.096 176.772 177.584 0.473 0.000 1.119 775 A CA -0.878 51.384 52.037 0.375 0.000 0.654 775 A CB 0.362 19.701 19.000 0.565 0.000 1.291 775 A HN 0.765 nan 8.150 nan 0.000 0.439 776 F N 0.430 120.432 119.950 0.087 0.000 2.943 776 F HA -0.208 4.319 4.527 0.000 0.000 0.258 776 F C 0.298 176.126 175.800 0.048 0.000 0.995 776 F CA 1.381 59.434 58.000 0.087 0.000 0.896 776 F CB -1.239 37.851 39.000 0.150 0.000 0.821 776 F HN 0.709 nan 8.300 nan 0.000 0.828 777 D N -0.099 120.389 120.400 0.146 0.000 2.800 777 D HA -0.239 4.401 4.640 0.000 0.000 0.232 777 D C 0.712 177.050 176.300 0.064 0.000 1.137 777 D CA 1.390 55.441 54.000 0.085 0.000 0.718 777 D CB -0.782 40.062 40.800 0.073 0.000 1.084 777 D HN 0.728 nan 8.370 nan 0.000 0.432 778 R N -1.724 118.826 120.500 0.084 0.000 3.516 778 R HA -0.284 4.056 4.340 0.000 0.000 0.271 778 R C 1.206 177.496 176.300 -0.015 0.000 1.098 778 R CA 1.508 57.633 56.100 0.041 0.000 0.732 778 R CB -0.871 29.431 30.300 0.003 0.000 1.152 778 R HN 0.392 nan 8.270 nan 0.000 0.455 779 K N -0.362 120.020 120.400 -0.031 0.000 2.308 779 K HA 0.093 4.413 4.320 0.000 0.000 0.197 779 K C 0.465 176.865 176.600 -0.334 0.000 1.049 779 K CA 0.427 56.564 56.287 -0.251 0.000 0.991 779 K CB 0.380 32.660 32.500 -0.367 0.000 0.836 779 K HN 0.095 nan 8.250 nan 0.000 0.500 780 L N 1.654 122.827 121.223 -0.083 0.000 2.319 780 L HA 0.365 4.705 4.340 0.000 0.000 0.281 780 L C -1.604 175.333 176.870 0.112 0.000 1.005 780 L CA -0.453 54.406 54.840 0.031 0.000 0.828 780 L CB 1.435 43.527 42.059 0.054 0.000 1.227 780 L HN -0.174 nan 8.230 nan 0.000 0.415 781 D N 4.350 124.828 120.400 0.130 0.000 2.391 781 D HA 0.816 5.456 4.640 0.000 0.000 0.245 781 D C -1.200 175.271 176.300 0.287 0.000 1.069 781 D CA 0.062 54.192 54.000 0.217 0.000 0.831 781 D CB 2.057 42.968 40.800 0.186 0.000 1.204 781 D HN 0.831 nan 8.370 nan 0.000 0.503 782 A N 1.704 124.703 122.820 0.298 0.000 2.594 782 A HA 0.960 5.280 4.320 0.000 0.000 0.291 782 A C -0.279 177.286 177.584 -0.032 0.000 1.105 782 A CA -0.072 52.071 52.037 0.178 0.000 0.694 782 A CB 1.778 20.825 19.000 0.079 0.000 1.291 782 A HN 0.832 nan 8.150 nan 0.000 0.410 783 G N -1.554 106.915 108.800 -0.552 0.000 2.320 783 G HA2 0.587 4.547 3.960 0.000 0.000 0.297 783 G HA3 0.587 4.547 3.960 0.000 0.000 0.297 783 G C -1.806 172.522 174.900 -0.953 0.000 1.344 783 G CA 0.197 44.913 45.100 -0.640 0.000 0.851 783 G HN 1.947 nan 8.290 nan 0.000 0.567 784 V N -0.417 119.233 119.914 -0.441 0.000 2.628 784 V HA 0.879 4.999 4.120 0.000 0.000 0.306 784 V C -0.181 175.907 176.094 -0.010 0.000 1.045 784 V CA -0.189 61.987 62.300 -0.206 0.000 0.905 784 V CB 2.048 33.844 31.823 -0.045 0.000 0.997 784 V HN 1.039 nan 8.190 nan 0.000 0.436 785 T N 5.314 119.936 114.554 0.113 0.000 2.829 785 T HA 0.584 4.934 4.350 0.000 0.000 0.280 785 T C -0.807 173.972 174.700 0.132 0.000 0.999 785 T CA -0.298 61.901 62.100 0.164 0.000 0.983 785 T CB 1.499 70.497 68.868 0.216 0.000 0.968 785 T HN 0.544 nan 8.240 nan 0.000 0.446 786 V N 4.523 124.502 119.914 0.109 0.000 2.326 786 V HA 0.414 4.534 4.120 0.000 0.000 0.281 786 V C 0.127 176.285 176.094 0.106 0.000 1.015 786 V CA -0.963 61.344 62.300 0.013 0.000 0.823 786 V CB 0.816 32.618 31.823 -0.035 0.000 1.009 786 V HN 0.703 nan 8.190 nan 0.000 0.436 787 R N 4.933 125.449 120.500 0.028 0.000 2.265 787 R HA 0.679 5.019 4.340 0.000 0.000 0.314 787 R C -0.539 175.798 176.300 0.062 0.000 1.053 787 R CA -0.025 56.099 56.100 0.041 0.000 0.931 787 R CB 0.750 31.061 30.300 0.019 0.000 1.024 787 R HN 0.737 nan 8.270 nan 0.000 0.457 788 F N -0.363 119.471 119.950 -0.193 0.000 2.643 788 F HA 0.910 5.437 4.527 0.000 0.000 0.314 788 F C -1.274 174.253 175.800 -0.455 0.000 1.096 788 F CA -1.418 56.369 58.000 -0.355 0.000 0.953 788 F CB 1.748 40.619 39.000 -0.215 0.000 1.345 788 F HN 0.489 nan 8.300 nan 0.000 0.468 789 A N 1.642 124.145 122.820 -0.528 0.000 2.517 789 A HA 0.714 5.034 4.320 0.000 0.000 0.297 789 A C -2.792 174.736 177.584 -0.093 0.000 1.050 789 A CA -1.504 50.290 52.037 -0.404 0.000 0.694 789 A CB 1.438 20.099 19.000 -0.564 0.000 1.277 789 A HN 0.507 nan 8.150 nan 0.000 0.400 790 P HA 0.239 nan 4.420 nan 0.000 0.217 790 P C 0.763 178.138 177.300 0.126 0.000 1.154 790 P CA 1.645 64.824 63.100 0.133 0.000 0.841 790 P CB 0.237 32.042 31.700 0.175 0.000 0.788 791 G N -1.620 107.270 108.800 0.151 0.000 2.535 791 G HA2 0.186 4.146 3.960 0.000 0.000 0.662 791 G HA3 0.186 4.146 3.960 0.000 0.000 0.662 791 G C -2.267 172.821 174.900 0.313 0.000 1.417 791 G CA -0.871 44.370 45.100 0.235 0.000 0.866 791 G HN 0.077 nan 8.290 nan 0.000 0.647 792 Y N 1.609 122.038 120.300 0.216 0.000 2.361 792 Y HA 0.749 5.299 4.550 0.000 0.000 0.328 792 Y C -0.627 175.367 175.900 0.157 0.000 1.044 792 Y CA -1.132 57.090 58.100 0.202 0.000 1.085 792 Y CB 1.844 40.471 38.460 0.277 0.000 1.194 792 Y HN 0.757 nan 8.280 nan 0.000 0.438 793 Q N 3.705 123.457 119.800 -0.080 0.000 2.315 793 Q HA 0.295 4.635 4.340 0.000 0.000 0.273 793 Q C -1.962 173.856 176.000 -0.303 0.000 1.053 793 Q CA -0.965 54.654 55.803 -0.306 0.000 0.817 793 Q CB 2.470 31.133 28.738 -0.125 0.000 1.326 793 Q HN 0.568 nan 8.270 nan 0.000 0.423 794 D N 0.275 120.431 120.400 -0.407 0.000 2.454 794 D HA 0.256 4.896 4.640 0.000 0.000 0.225 794 D C -0.129 176.107 176.300 -0.106 0.000 1.081 794 D CA 0.036 53.927 54.000 -0.182 0.000 0.864 794 D CB 1.305 42.026 40.800 -0.131 0.000 1.040 794 D HN 0.384 nan 8.370 nan 0.000 0.517 795 S N 0.713 116.384 115.700 -0.048 0.000 2.528 795 S HA -0.082 4.388 4.470 0.000 0.000 0.219 795 S C 1.607 176.204 174.600 -0.005 0.000 0.985 795 S CA 0.195 58.372 58.200 -0.038 0.000 0.914 795 S CB 0.114 63.297 63.200 -0.029 0.000 0.776 795 S HN 0.544 nan 8.310 nan 0.000 0.526 796 S N 1.507 117.225 115.700 0.030 0.000 2.754 796 S HA 0.201 4.671 4.470 0.000 0.000 0.223 796 S C 0.326 174.978 174.600 0.085 0.000 0.951 796 S CA -0.412 57.821 58.200 0.056 0.000 0.954 796 S CB -0.712 62.534 63.200 0.078 0.000 0.780 796 S HN 0.251 nan 8.310 nan 0.000 0.509 797 V N -2.824 117.133 119.914 0.072 0.000 2.841 797 V HA 0.693 4.813 4.120 0.000 0.000 0.310 797 V C -3.201 172.831 176.094 -0.103 0.000 1.090 797 V CA -2.900 59.453 62.300 0.088 0.000 0.930 797 V CB 0.966 33.011 31.823 0.370 0.000 1.014 797 V HN -0.046 nan 8.190 nan 0.000 0.425 798 P HA 0.191 nan 4.420 nan 0.000 0.262 798 P C 0.738 177.854 177.300 -0.306 0.000 1.182 798 P CA 0.263 63.149 63.100 -0.356 0.000 0.761 798 P CB 0.635 32.012 31.700 -0.539 0.000 0.795 799 S N 1.524 117.123 115.700 -0.167 0.000 2.653 799 S HA -0.091 4.379 4.470 0.000 0.000 0.233 799 S C 1.336 175.876 174.600 -0.101 0.000 0.970 799 S CA 0.457 58.591 58.200 -0.110 0.000 0.947 799 S CB -0.828 62.325 63.200 -0.080 0.000 0.771 799 S HN 0.630 nan 8.310 nan 0.000 0.538 800 N N 0.012 118.623 118.700 -0.149 0.000 2.392 800 N HA -0.057 4.683 4.740 0.000 0.000 0.177 800 N C -0.201 175.330 175.510 0.035 0.000 1.066 800 N CA 0.004 53.004 53.050 -0.082 0.000 0.895 800 N CB -0.560 37.870 38.487 -0.095 0.000 0.988 800 N HN 0.203 nan 8.380 nan 0.000 0.457 801 Y N 1.654 121.974 120.300 0.034 0.000 2.683 801 Y HA 0.130 4.680 4.550 0.000 0.000 0.340 801 Y C -1.057 174.876 175.900 0.055 0.000 1.245 801 Y CA -1.630 56.516 58.100 0.076 0.000 1.485 801 Y CB -0.077 38.444 38.460 0.100 0.000 1.328 801 Y HN 0.061 nan 8.280 nan 0.000 0.603 802 P HA -0.038 nan 4.420 nan 0.000 0.224 802 P C -0.789 176.412 177.300 -0.165 0.000 1.157 802 P CA 1.209 64.367 63.100 0.097 0.000 0.799 802 P CB 0.322 32.221 31.700 0.332 0.000 0.809 803 Y N -0.045 120.286 120.300 0.052 0.000 2.388 803 Y HA 0.373 4.923 4.550 0.000 0.000 0.328 803 Y C 0.430 176.438 175.900 0.179 0.000 0.963 803 Y CA -0.718 57.405 58.100 0.039 0.000 1.240 803 Y CB 0.807 39.261 38.460 -0.009 0.000 1.118 803 Y HN -0.255 nan 8.280 nan 0.000 0.484 804 L N 2.409 123.674 121.223 0.070 0.000 2.332 804 L HA 0.841 5.181 4.340 0.000 0.000 0.269 804 L C -0.027 176.431 176.870 -0.687 0.000 1.016 804 L CA -1.382 53.377 54.840 -0.135 0.000 0.809 804 L CB 1.691 43.595 42.059 -0.258 0.000 1.280 804 L HN 0.567 nan 8.230 nan 0.000 0.447 805 A N 0.684 122.764 122.820 -1.232 0.000 2.690 805 A HA 0.401 4.721 4.320 0.000 0.000 0.342 805 A C -0.792 175.999 177.584 -1.321 0.000 1.410 805 A CA -0.144 50.855 52.037 -1.731 0.000 0.958 805 A CB -0.213 17.614 19.000 -1.955 0.000 1.153 805 A HN 0.614 nan 8.150 nan 0.000 0.497 806 D N 2.461 121.933 120.400 -1.546 0.000 2.502 806 D HA 0.275 4.915 4.640 0.000 0.000 0.301 806 D C -1.220 174.647 176.300 -0.722 0.000 1.202 806 D CA -0.041 53.448 54.000 -0.852 0.000 0.878 806 D CB 0.091 40.554 40.800 -0.561 0.000 1.062 806 D HN 0.512 nan 8.370 nan 0.000 0.499 807 W N 3.891 125.176 121.300 -0.025 0.000 2.492 807 W HA 0.305 4.965 4.660 0.000 0.000 0.287 807 W C -2.612 174.007 176.519 0.166 0.000 1.008 807 W CA -1.799 55.608 57.345 0.102 0.000 1.557 807 W CB 0.963 30.518 29.460 0.159 0.000 1.419 807 W HN 0.132 nan 8.180 nan 0.000 0.408 808 P HA 0.084 nan 4.420 nan 0.000 0.274 808 P C 0.265 177.772 177.300 0.346 0.000 1.256 808 P CA -0.225 63.036 63.100 0.269 0.000 0.795 808 P CB 0.938 32.764 31.700 0.211 0.000 1.038 809 K N 1.242 121.792 120.400 0.250 0.000 2.440 809 K HA 0.113 4.433 4.320 0.000 0.000 0.270 809 K C -0.827 175.955 176.600 0.304 0.000 0.980 809 K CA 0.277 56.684 56.287 0.200 0.000 0.953 809 K CB -0.276 32.306 32.500 0.137 0.000 0.925 809 K HN 0.621 nan 8.250 nan 0.000 0.497 810 Y N -2.668 117.719 120.300 0.146 0.000 2.592 810 Y HA 0.427 4.977 4.550 0.000 0.000 0.334 810 Y C -1.649 174.280 175.900 0.048 0.000 1.136 810 Y CA -1.076 57.083 58.100 0.098 0.000 1.042 810 Y CB 1.614 40.141 38.460 0.111 0.000 1.325 810 Y HN 0.553 nan 8.280 nan 0.000 0.457 811 T N 4.550 119.169 114.554 0.109 0.000 2.949 811 T HA 0.586 4.936 4.350 0.000 0.000 0.300 811 T C -0.972 173.605 174.700 -0.205 0.000 0.988 811 T CA -0.561 61.495 62.100 -0.074 0.000 0.993 811 T CB 0.805 69.599 68.868 -0.122 0.000 0.984 811 T HN 0.667 nan 8.240 nan 0.000 0.442 812 L N 3.013 124.069 121.223 -0.279 0.000 2.334 812 L HA 0.691 5.031 4.340 0.000 0.000 0.276 812 L C -1.103 175.487 176.870 -0.466 0.000 1.014 812 L CA -1.033 53.635 54.840 -0.287 0.000 0.815 812 L CB 1.498 43.437 42.059 -0.200 0.000 1.268 812 L HN 0.549 nan 8.230 nan 0.000 0.428 813 F N 0.505 120.473 119.950 0.029 0.000 2.427 813 F HA 0.356 4.883 4.527 0.000 0.000 0.348 813 F C -0.443 175.373 175.800 0.026 0.000 1.125 813 F CA -0.831 57.185 58.000 0.027 0.000 0.989 813 F CB 1.521 40.530 39.000 0.015 0.000 1.165 813 F HN 0.327 nan 8.300 nan 0.000 0.442 814 D N 4.141 124.658 120.400 0.195 0.000 2.391 814 D HA 0.492 5.132 4.640 0.000 0.000 0.245 814 D C -0.456 175.916 176.300 0.120 0.000 1.069 814 D CA -0.225 53.862 54.000 0.146 0.000 0.831 814 D CB 1.787 42.668 40.800 0.135 0.000 1.204 814 D HN 0.287 nan 8.370 nan 0.000 0.503 815 L N 2.530 123.805 121.223 0.087 0.000 2.343 815 L HA 0.585 4.925 4.340 0.000 0.000 0.275 815 L C -0.573 176.349 176.870 0.086 0.000 1.056 815 L CA -1.057 53.784 54.840 0.002 0.000 0.804 815 L CB 0.690 42.748 42.059 -0.001 0.000 1.203 815 L HN 0.504 nan 8.230 nan 0.000 0.440 816 Y N 0.616 120.953 120.300 0.062 0.000 2.597 816 Y HA 0.882 5.432 4.550 0.000 0.000 0.340 816 Y C -1.049 174.892 175.900 0.067 0.000 1.097 816 Y CA -1.125 57.014 58.100 0.064 0.000 1.037 816 Y CB 1.865 40.365 38.460 0.067 0.000 1.305 816 Y HN 0.613 nan 8.280 nan 0.000 0.463 817 A N 1.395 124.430 122.820 0.358 0.000 2.594 817 A HA 0.796 5.116 4.320 0.000 0.000 0.296 817 A C -1.452 176.262 177.584 0.216 0.000 1.061 817 A CA -0.305 51.891 52.037 0.265 0.000 0.689 817 A CB 1.307 20.392 19.000 0.142 0.000 1.280 817 A HN 1.516 nan 8.150 nan 0.000 0.406 818 S N 0.448 116.263 115.700 0.191 0.000 2.668 818 S HA 0.631 5.101 4.470 0.000 0.000 0.277 818 S C -1.268 173.418 174.600 0.143 0.000 1.170 818 S CA -0.483 57.804 58.200 0.145 0.000 0.994 818 S CB 0.929 64.187 63.200 0.096 0.000 1.051 818 S HN 1.266 nan 8.310 nan 0.000 0.484 819 Y N 2.099 122.418 120.300 0.032 0.000 2.352 819 Y HA 0.507 5.057 4.550 0.000 0.000 0.339 819 Y C 0.017 175.931 175.900 0.024 0.000 0.992 819 Y CA -0.685 57.417 58.100 0.004 0.000 1.100 819 Y CB 1.490 39.931 38.460 -0.033 0.000 1.192 819 Y HN 0.745 nan 8.280 nan 0.000 0.458 820 K N 6.671 126.736 120.400 -0.559 0.000 2.187 820 K HA 0.073 4.393 4.320 0.000 0.000 0.242 820 K C 0.757 177.254 176.600 -0.172 0.000 1.179 820 K CA -0.150 55.965 56.287 -0.286 0.000 1.097 820 K CB 0.209 32.549 32.500 -0.267 0.000 1.634 820 K HN 0.727 nan 8.250 nan 0.000 0.335 821 L N 1.323 122.691 121.223 0.242 0.000 2.089 821 L HA -0.208 4.132 4.340 0.000 0.000 0.213 821 L C 1.183 178.185 176.870 0.220 0.000 1.079 821 L CA 1.819 56.895 54.840 0.394 0.000 0.758 821 L CB -0.293 41.937 42.059 0.285 0.000 0.891 821 L HN 0.661 nan 8.230 nan 0.000 0.433 822 T N -6.644 107.991 114.554 0.136 0.000 2.681 822 T HA 0.185 4.535 4.350 0.000 0.000 0.296 822 T C 0.526 175.255 174.700 0.050 0.000 1.157 822 T CA -0.255 61.905 62.100 0.100 0.000 1.025 822 T CB 0.496 69.443 68.868 0.131 0.000 1.441 822 T HN -0.035 nan 8.240 nan 0.000 0.504 823 D N 0.375 120.797 120.400 0.037 0.000 2.310 823 D HA 0.045 4.685 4.640 0.000 0.000 0.212 823 D C 1.578 177.868 176.300 -0.018 0.000 0.965 823 D CA 1.157 55.159 54.000 0.003 0.000 0.879 823 D CB 0.142 40.945 40.800 0.006 0.000 0.921 823 D HN 0.485 nan 8.370 nan 0.000 0.510 824 S N -0.608 115.088 115.700 -0.005 0.000 2.599 824 S HA 0.174 4.644 4.470 0.000 0.000 0.236 824 S C 0.955 175.556 174.600 0.000 0.000 1.077 824 S CA -0.369 57.755 58.200 -0.126 0.000 0.906 824 S CB 1.189 64.184 63.200 -0.342 0.000 0.804 824 S HN 0.066 nan 8.310 nan 0.000 0.497 825 L N 3.048 124.380 121.223 0.182 0.000 2.305 825 L HA 0.413 4.753 4.340 0.000 0.000 0.281 825 L C -0.622 176.346 176.870 0.163 0.000 1.085 825 L CA 0.164 55.158 54.840 0.258 0.000 0.813 825 L CB 1.216 43.437 42.059 0.270 0.000 1.157 825 L HN 0.127 nan 8.230 nan 0.000 0.436 826 T N 4.053 118.707 114.554 0.167 0.000 2.921 826 T HA 0.538 4.888 4.350 0.000 0.000 0.297 826 T C -0.440 174.356 174.700 0.160 0.000 1.013 826 T CA -0.622 61.557 62.100 0.131 0.000 0.990 826 T CB 1.719 70.638 68.868 0.085 0.000 1.023 826 T HN 0.260 nan 8.240 nan 0.000 0.447 827 L N 2.633 123.957 121.223 0.169 0.000 2.331 827 L HA 0.719 5.059 4.340 0.000 0.000 0.275 827 L C 0.117 177.076 176.870 0.149 0.000 1.022 827 L CA -0.928 54.007 54.840 0.159 0.000 0.812 827 L CB 1.906 44.057 42.059 0.154 0.000 1.257 827 L HN 0.448 nan 8.230 nan 0.000 0.435 828 R N 0.619 121.203 120.500 0.140 0.000 2.673 828 R HA 0.719 5.059 4.340 0.000 0.000 0.281 828 R C -0.841 175.534 176.300 0.126 0.000 0.991 828 R CA -0.585 55.597 56.100 0.137 0.000 0.896 828 R CB 2.397 32.783 30.300 0.143 0.000 1.201 828 R HN 0.777 nan 8.270 nan 0.000 0.457 829 G N 0.793 109.670 108.800 0.128 0.000 2.741 829 G HA2 0.472 4.432 3.960 0.000 0.000 0.293 829 G HA3 0.472 4.432 3.960 0.000 0.000 0.293 829 G C -1.313 173.665 174.900 0.130 0.000 1.457 829 G CA -0.449 44.719 45.100 0.113 0.000 1.098 829 G HN 0.542 nan 8.290 nan 0.000 0.536 830 S N -0.404 115.368 115.700 0.120 0.000 2.595 830 S HA 0.820 5.290 4.470 0.000 0.000 0.281 830 S C -1.185 173.475 174.600 0.100 0.000 1.117 830 S CA -0.924 57.355 58.200 0.132 0.000 0.873 830 S CB 2.362 65.651 63.200 0.149 0.000 1.108 830 S HN 0.865 nan 8.310 nan 0.000 0.477 831 V N 1.957 121.929 119.914 0.098 0.000 2.409 831 V HA 0.395 4.515 4.120 0.000 0.000 0.290 831 V C 1.069 177.218 176.094 0.093 0.000 1.017 831 V CA -0.474 61.876 62.300 0.084 0.000 0.841 831 V CB 1.186 33.050 31.823 0.069 0.000 1.003 831 V HN 1.121 nan 8.190 nan 0.000 0.426 832 E N 3.685 123.936 120.200 0.085 0.000 2.072 832 E HA -0.110 4.240 4.350 0.000 0.000 0.191 832 E C 0.585 177.235 176.600 0.082 0.000 0.985 832 E CA 0.877 57.325 56.400 0.080 0.000 0.801 832 E CB 0.284 30.019 29.700 0.058 0.000 0.750 832 E HN 0.624 nan 8.360 nan 0.000 0.452 833 N N 0.655 119.410 118.700 0.091 0.000 2.762 833 N HA 0.078 4.818 4.740 0.000 0.000 0.252 833 N C 0.467 176.048 175.510 0.119 0.000 1.269 833 N CA -0.084 53.026 53.050 0.100 0.000 0.799 833 N CB 0.560 39.111 38.487 0.107 0.000 1.173 833 N HN 0.138 nan 8.380 nan 0.000 0.516 834 L N 0.989 122.297 121.223 0.141 0.000 1.971 834 L HA -0.189 4.151 4.340 0.000 0.000 0.215 834 L C 1.703 178.643 176.870 0.117 0.000 1.072 834 L CA 2.010 56.922 54.840 0.120 0.000 0.758 834 L CB -0.312 41.819 42.059 0.119 0.000 0.889 834 L HN 0.556 nan 8.230 nan 0.000 0.433 835 T N -3.363 111.295 114.554 0.174 0.000 3.113 835 T HA -0.087 4.263 4.350 0.000 0.000 0.263 835 T C 1.026 175.805 174.700 0.131 0.000 1.143 835 T CA 0.642 62.836 62.100 0.157 0.000 1.090 835 T CB -0.419 68.594 68.868 0.241 0.000 0.922 835 T HN 0.467 nan 8.240 nan 0.000 0.521 836 N N 0.958 119.736 118.700 0.130 0.000 2.735 836 N HA -0.187 4.553 4.740 0.000 0.000 0.248 836 N C -0.264 175.337 175.510 0.152 0.000 1.083 836 N CA 0.297 53.426 53.050 0.132 0.000 0.703 836 N CB -1.465 37.083 38.487 0.103 0.000 1.005 836 N HN 0.643 nan 8.380 nan 0.000 0.550 837 R N 0.154 120.751 120.500 0.160 0.000 2.390 837 R HA 0.543 4.884 4.340 0.000 0.000 0.291 837 R C -0.001 176.453 176.300 0.257 0.000 1.070 837 R CA 0.253 56.461 56.100 0.179 0.000 1.014 837 R CB 0.508 30.901 30.300 0.154 0.000 1.007 837 R HN 0.317 nan 8.270 nan 0.000 0.466 838 A N 4.430 127.395 122.820 0.241 0.000 2.362 838 A HA 0.373 4.693 4.320 0.000 0.000 0.276 838 A C -1.134 176.628 177.584 0.297 0.000 1.153 838 A CA -0.186 52.002 52.037 0.252 0.000 0.813 838 A CB 0.165 19.272 19.000 0.178 0.000 1.081 838 A HN 0.758 nan 8.150 nan 0.000 0.507 839 Y N -0.466 119.845 120.300 0.019 0.000 2.689 839 Y HA 0.661 5.211 4.550 0.000 0.000 0.333 839 Y C -1.509 174.344 175.900 -0.078 0.000 1.208 839 Y CA -1.686 56.372 58.100 -0.071 0.000 1.055 839 Y CB 0.704 38.979 38.460 -0.309 0.000 1.304 839 Y HN 0.435 nan 8.280 nan 0.000 0.455 840 V N 3.105 122.871 119.914 -0.246 0.000 2.531 840 V HA 0.514 4.634 4.120 0.000 0.000 0.301 840 V C -0.130 175.910 176.094 -0.090 0.000 1.034 840 V CA -0.838 61.294 62.300 -0.279 0.000 0.865 840 V CB 1.484 33.325 31.823 0.029 0.000 0.995 840 V HN 1.018 nan 8.190 nan 0.000 0.424 841 V N 2.406 122.237 119.914 -0.138 0.000 2.720 841 V HA 0.178 4.298 4.120 0.000 0.000 0.307 841 V C 0.884 177.050 176.094 0.121 0.000 1.071 841 V CA 0.176 62.534 62.300 0.096 0.000 1.199 841 V CB 0.634 32.518 31.823 0.102 0.000 0.900 841 V HN 0.908 nan 8.190 nan 0.000 0.494 842 S N 3.852 119.691 115.700 0.232 0.000 2.593 842 S HA 0.119 4.589 4.470 0.000 0.000 0.300 842 S C 0.193 174.553 174.600 -0.399 0.000 1.267 842 S CA 1.060 59.189 58.200 -0.118 0.000 1.065 842 S CB -1.041 62.205 63.200 0.077 0.000 0.807 842 S HN 1.479 nan 8.310 nan 0.000 0.499 843 Y N 0.557 119.866 120.300 -1.652 0.000 4.936 843 Y HA -0.238 4.312 4.550 0.000 0.000 0.266 843 Y C 0.744 176.501 175.900 -0.239 0.000 0.909 843 Y CA 0.730 58.151 58.100 -1.133 0.000 1.828 843 Y CB -1.524 36.565 38.460 -0.618 0.000 1.283 843 Y HN 0.885 nan 8.280 nan 0.000 0.511 844 G N 2.223 111.010 108.800 -0.022 0.000 2.353 844 G HA2 0.124 4.084 3.960 0.000 0.000 0.239 844 G HA3 0.124 4.084 3.960 0.000 0.000 0.239 844 G C -0.133 174.893 174.900 0.211 0.000 1.295 844 G CA 0.230 45.402 45.100 0.120 0.000 0.884 844 G HN 0.523 nan 8.290 nan 0.000 0.537 845 E N 1.245 121.473 120.200 0.047 0.000 2.729 845 E HA -0.089 4.261 4.350 0.000 0.000 0.246 845 E C 1.627 178.218 176.600 -0.015 0.000 0.984 845 E CA 0.624 57.022 56.400 -0.003 0.000 0.951 845 E CB 0.326 29.994 29.700 -0.053 0.000 0.914 845 E HN 0.558 nan 8.360 nan 0.000 0.509 846 T N 2.405 116.915 114.554 -0.074 0.000 2.951 846 T HA -0.153 4.197 4.350 0.000 0.000 0.268 846 T C 1.672 176.258 174.700 -0.190 0.000 1.073 846 T CA 0.169 62.172 62.100 -0.162 0.000 1.134 846 T CB 0.038 68.729 68.868 -0.294 0.000 0.884 846 T HN 0.413 nan 8.240 nan 0.000 0.479 847 L N 1.152 122.211 121.223 -0.272 0.000 2.191 847 L HA 0.306 4.646 4.340 0.000 0.000 0.212 847 L C 2.514 179.303 176.870 -0.136 0.000 1.103 847 L CA 1.270 55.939 54.840 -0.284 0.000 0.769 847 L CB -0.909 40.891 42.059 -0.431 0.000 0.908 847 L HN 0.493 nan 8.230 nan 0.000 0.438 848 A N -2.232 120.562 122.820 -0.043 0.000 2.287 848 A HA 0.149 4.469 4.320 0.000 0.000 0.214 848 A C 0.963 178.697 177.584 0.251 0.000 1.228 848 A CA 0.306 52.429 52.037 0.144 0.000 0.939 848 A CB -0.230 18.797 19.000 0.045 0.000 0.992 848 A HN 0.398 nan 8.150 nan 0.000 0.502 849 N N 1.477 120.234 118.700 0.095 0.000 2.678 849 N HA -0.146 4.594 4.740 0.000 0.000 0.268 849 N C -0.078 175.545 175.510 0.188 0.000 1.010 849 N CA 1.058 54.172 53.050 0.106 0.000 0.784 849 N CB -1.009 37.514 38.487 0.059 0.000 0.905 849 N HN 0.586 nan 8.380 nan 0.000 0.552 850 T N -0.544 114.027 114.554 0.028 0.000 2.727 850 T HA 0.464 4.814 4.350 0.000 0.000 0.298 850 T C 0.670 175.308 174.700 -0.105 0.000 0.942 850 T CA -1.068 60.969 62.100 -0.105 0.000 0.997 850 T CB 0.739 69.463 68.868 -0.240 0.000 0.917 850 T HN 0.166 nan 8.240 nan 0.000 0.487 851 L N 3.432 124.617 121.223 -0.064 0.000 2.503 851 L HA 0.410 4.750 4.340 0.000 0.000 0.287 851 L C 1.374 178.147 176.870 -0.160 0.000 1.252 851 L CA 0.900 55.659 54.840 -0.135 0.000 0.835 851 L CB -0.137 41.920 42.059 -0.004 0.000 1.099 851 L HN 0.956 nan 8.230 nan 0.000 0.516 852 G N 1.281 109.769 108.800 -0.520 0.000 2.528 852 G HA2 0.425 4.385 3.960 0.000 0.000 0.289 852 G HA3 0.425 4.385 3.960 0.000 0.000 0.289 852 G C -0.246 174.687 174.900 0.056 0.000 1.192 852 G CA -0.799 44.064 45.100 -0.396 0.000 0.921 852 G HN 0.542 nan 8.290 nan 0.000 0.512 853 R N -0.693 119.739 120.500 -0.113 0.000 2.585 853 R HA 0.279 4.619 4.340 0.000 0.000 0.275 853 R C 1.163 177.573 176.300 0.183 0.000 1.018 853 R CA 0.767 56.808 56.100 -0.098 0.000 1.072 853 R CB 0.422 30.540 30.300 -0.303 0.000 0.953 853 R HN 0.592 nan 8.270 nan 0.000 0.419 854 G N 1.428 110.377 108.800 0.248 0.000 2.563 854 G HA2 0.078 4.038 3.960 0.000 0.000 0.283 854 G HA3 0.078 4.038 3.960 0.000 0.000 0.283 854 G C -0.677 174.322 174.900 0.163 0.000 1.309 854 G CA -0.694 44.541 45.100 0.223 0.000 1.022 854 G HN 0.616 nan 8.290 nan 0.000 0.501 855 R N -0.176 120.406 120.500 0.137 0.000 2.955 855 R HA -0.020 4.320 4.340 0.000 0.000 0.334 855 R C -0.680 175.682 176.300 0.103 0.000 0.778 855 R CA 0.717 56.880 56.100 0.106 0.000 1.110 855 R CB -0.743 29.607 30.300 0.083 0.000 0.889 855 R HN 0.311 nan 8.270 nan 0.000 0.396 856 T N 4.228 118.836 114.554 0.090 0.000 2.815 856 T HA 0.246 4.596 4.350 0.000 0.000 0.289 856 T C -0.519 174.225 174.700 0.073 0.000 1.000 856 T CA -0.617 61.532 62.100 0.082 0.000 0.958 856 T CB 1.688 70.594 68.868 0.064 0.000 0.944 856 T HN 0.220 nan 8.240 nan 0.000 0.442 857 V N 5.428 125.385 119.914 0.071 0.000 2.439 857 V HA 0.538 4.658 4.120 0.000 0.000 0.282 857 V C -0.112 176.023 176.094 0.069 0.000 1.039 857 V CA -0.395 61.945 62.300 0.067 0.000 0.913 857 V CB 1.115 32.974 31.823 0.060 0.000 0.983 857 V HN 0.960 nan 8.190 nan 0.000 0.460 858 Q N 3.583 123.427 119.800 0.073 0.000 2.391 858 Q HA 0.820 5.160 4.340 0.000 0.000 0.279 858 Q C -0.617 175.434 176.000 0.085 0.000 1.028 858 Q CA -0.945 54.903 55.803 0.075 0.000 0.836 858 Q CB 2.545 31.326 28.738 0.070 0.000 1.414 858 Q HN 0.766 nan 8.270 nan 0.000 0.397 859 G N -0.379 108.473 108.800 0.086 0.000 2.684 859 G HA2 0.864 4.824 3.960 0.000 0.000 0.290 859 G HA3 0.864 4.824 3.960 0.000 0.000 0.290 859 G C -1.186 173.770 174.900 0.095 0.000 1.425 859 G CA -0.345 44.813 45.100 0.096 0.000 0.822 859 G HN 0.860 nan 8.290 nan 0.000 0.482 860 G N -2.000 106.867 108.800 0.112 0.000 2.606 860 G HA2 0.636 4.596 3.960 0.000 0.000 0.300 860 G HA3 0.636 4.596 3.960 0.000 0.000 0.300 860 G C -1.989 172.979 174.900 0.112 0.000 1.360 860 G CA -0.394 44.757 45.100 0.084 0.000 0.783 860 G HN 1.190 nan 8.290 nan 0.000 0.484 861 V N 0.594 120.555 119.914 0.080 0.000 2.483 861 V HA 0.574 4.694 4.120 0.000 0.000 0.297 861 V C -0.421 175.804 176.094 0.218 0.000 1.027 861 V CA -0.618 61.764 62.300 0.136 0.000 0.855 861 V CB 1.463 33.344 31.823 0.097 0.000 0.995 861 V HN 0.845 nan 8.190 nan 0.000 0.424 862 E N 3.873 124.235 120.200 0.271 0.000 2.183 862 E HA 0.472 4.822 4.350 0.000 0.000 0.271 862 E C -2.021 174.763 176.600 0.306 0.000 0.919 862 E CA -0.697 55.883 56.400 0.300 0.000 0.781 862 E CB 1.845 31.685 29.700 0.234 0.000 1.140 862 E HN 0.638 nan 8.360 nan 0.000 0.402 863 Y N 4.935 125.346 120.300 0.185 0.000 2.447 863 Y HA 0.368 4.918 4.550 0.000 0.000 0.325 863 Y C -0.562 175.501 175.900 0.272 0.000 0.976 863 Y CA -0.720 57.504 58.100 0.207 0.000 1.280 863 Y CB 0.606 39.187 38.460 0.202 0.000 1.104 863 Y HN 0.521 nan 8.280 nan 0.000 0.486 864 R N 4.507 124.922 120.500 -0.141 0.000 2.580 864 R HA 0.659 4.999 4.340 0.000 0.000 0.267 864 R C -1.172 175.035 176.300 -0.156 0.000 1.125 864 R CA -0.154 55.861 56.100 -0.141 0.000 1.188 864 R CB 0.919 31.162 30.300 -0.096 0.000 1.155 864 R HN 0.710 nan 8.270 nan 0.000 0.586 865 F N 0.000 119.860 119.950 -0.149 0.000 2.286 865 F HA 0.000 4.527 4.527 0.000 0.000 0.279 865 F CA 0.000 57.928 58.000 -0.120 0.000 1.383 865 F CB 0.000 38.907 39.000 -0.155 0.000 1.145 865 F HN 0.000 nan 8.300 nan 0.000 0.574