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 1uhv_1_C DATA FIRST_RESID 1 DATA SEQUENCE MIKVRVPDFS DKKFSDRWRY CVGTGRLGLA LQKEYIETLK YVKENIDFKY DATA SEQUENCE IRGHGLLCDD VGIYREDVVG DEVKPFYNFT YIDRIFDSFL EIGIRPFVEI DATA SEQUENCE GFMPKKLASG TQTVFYWEGN VTPPKDYEKW SDLVKAVLHH FISRYGIEEV DATA SEQUENCE LKWPFEIWNE PNLKEFWKDA DEKEYFKLYK VTAKAIKEVN ENLKVGGPAI DATA SEQUENCE CGGADYWIED FLNFCYEENV PVDFVSRHAY TSKQGEYTPH LIYQEIMPSE DATA SEQUENCE YMLNEFKTVR EIIKNSHFPN LPFHITEYNT SYSPQNPVHD TPFNAAYIAR DATA SEQUENCE ILSEGGDYVD SFSYWTFSDV FEERDVPRSQ FHGGFGLVAL NMIPKPTFYT DATA SEQUENCE FKFFNAMGEE MLYRDEHMLV TRRDDGSVAL IAWNEVMDKT ENPDEDYEVE DATA SEQUENCE IPVRFRDVFI KRQLIDEEHG NPWGTWIHMG RPRYPSKEQV NTLREVAKPE DATA SEQUENCE IMTSQPVAND GYLNLKFKLG KNAVVLYELT ERIDESSTYI GLDDSKINGY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.114 176.300 -0.310 0.000 1.140 1 M CA 0.000 55.155 55.300 -0.241 0.000 0.988 1 M CB 0.000 32.463 32.600 -0.228 0.000 1.302 2 I N 1.157 121.443 120.570 -0.474 0.000 2.447 2 I HA 0.495 4.663 4.170 -0.003 0.000 0.287 2 I C -1.250 174.638 176.117 -0.383 0.000 1.023 2 I CA -0.675 60.332 61.300 -0.488 0.000 1.083 2 I CB 2.125 39.634 38.000 -0.818 0.000 1.245 2 I HN 0.532 nan 8.210 nan 0.000 0.434 3 K N 5.820 126.075 120.400 -0.241 0.000 2.339 3 K HA 0.699 5.017 4.320 -0.003 0.000 0.264 3 K C -1.224 175.276 176.600 -0.167 0.000 0.986 3 K CA -0.642 55.533 56.287 -0.187 0.000 0.866 3 K CB 2.670 35.079 32.500 -0.151 0.000 1.103 3 K HN 0.261 nan 8.250 nan 0.000 0.441 4 V N 3.030 122.836 119.914 -0.180 0.000 2.588 4 V HA 0.399 4.517 4.120 -0.003 0.000 0.304 4 V C -0.504 175.447 176.094 -0.238 0.000 1.042 4 V CA -0.914 61.233 62.300 -0.255 0.000 0.877 4 V CB 1.813 33.391 31.823 -0.409 0.000 0.996 4 V HN 0.670 nan 8.190 nan 0.000 0.425 5 R N 3.552 123.921 120.500 -0.218 0.000 2.239 5 R HA 0.586 4.924 4.340 -0.003 0.000 0.332 5 R C -1.159 175.078 176.300 -0.105 0.000 0.988 5 R CA -0.419 55.605 56.100 -0.126 0.000 0.859 5 R CB 1.403 31.630 30.300 -0.122 0.000 1.148 5 R HN 0.581 nan 8.270 nan 0.000 0.482 6 V N 7.483 127.368 119.914 -0.049 0.000 2.479 6 V HA 0.160 4.278 4.120 -0.003 0.000 0.281 6 V C -1.928 174.258 176.094 0.153 0.000 1.031 6 V CA -1.383 60.917 62.300 0.000 0.000 1.038 6 V CB 0.934 32.749 31.823 -0.013 0.000 0.981 6 V HN 0.755 nan 8.190 nan 0.000 0.478 7 P HA 0.108 nan 4.420 nan 0.000 0.271 7 P C -0.375 177.042 177.300 0.195 0.000 1.216 7 P CA -0.304 62.920 63.100 0.207 0.000 0.776 7 P CB 0.448 32.278 31.700 0.216 0.000 0.881 8 D N 3.257 123.773 120.400 0.194 0.000 2.713 8 D HA 0.220 4.858 4.640 -0.003 0.000 0.229 8 D C -1.236 175.193 176.300 0.214 0.000 1.136 8 D CA 0.042 54.109 54.000 0.112 0.000 1.010 8 D CB -1.284 39.558 40.800 0.070 0.000 1.084 8 D HN 0.134 nan 8.370 nan 0.000 0.495 9 F N 0.378 120.348 119.950 0.034 0.000 2.703 9 F HA 0.404 4.929 4.527 -0.003 0.000 0.308 9 F C -1.742 174.083 175.800 0.041 0.000 1.126 9 F CA -0.727 57.295 58.000 0.037 0.000 0.959 9 F CB 1.555 40.582 39.000 0.044 0.000 1.297 9 F HN -0.123 nan 8.300 nan 0.000 0.441 10 S N 2.918 118.092 115.700 -0.877 0.000 2.689 10 S HA 0.317 4.785 4.470 -0.003 0.000 0.274 10 S C -0.878 173.355 174.600 -0.612 0.000 1.176 10 S CA -0.175 57.748 58.200 -0.461 0.000 1.014 10 S CB 0.939 64.009 63.200 -0.217 0.000 1.071 10 S HN 0.784 nan 8.310 nan 0.000 0.478 11 D N 3.394 123.674 120.400 -0.201 0.000 2.433 11 D HA 0.235 4.873 4.640 -0.003 0.000 0.211 11 D C -0.060 176.245 176.300 0.009 0.000 1.114 11 D CA -0.107 53.868 54.000 -0.042 0.000 0.837 11 D CB 0.379 41.335 40.800 0.259 0.000 0.984 11 D HN 0.420 nan 8.370 nan 0.000 0.505 12 K N 0.291 120.697 120.400 0.010 0.000 2.426 12 K HA 0.401 4.720 4.320 -0.003 0.000 0.251 12 K C -0.444 176.182 176.600 0.043 0.000 0.941 12 K CA -0.861 55.445 56.287 0.032 0.000 0.808 12 K CB 2.575 35.106 32.500 0.051 0.000 1.265 12 K HN -0.234 nan 8.250 nan 0.000 0.432 13 K N 1.234 121.666 120.400 0.052 0.000 2.123 13 K HA 0.400 4.718 4.320 -0.003 0.000 0.248 13 K C -0.951 175.739 176.600 0.150 0.000 0.969 13 K CA -0.619 55.718 56.287 0.083 0.000 0.882 13 K CB 0.922 33.448 32.500 0.044 0.000 1.080 13 K HN 0.479 nan 8.250 nan 0.000 0.441 14 F N 1.580 121.562 119.950 0.054 0.000 2.403 14 F HA 0.214 4.739 4.527 -0.003 0.000 0.355 14 F C 0.366 176.248 175.800 0.137 0.000 1.119 14 F CA -0.497 57.560 58.000 0.095 0.000 1.007 14 F CB 0.847 39.905 39.000 0.098 0.000 1.194 14 F HN 0.521 nan 8.300 nan 0.000 0.443 15 S N 2.884 118.301 115.700 -0.472 0.000 2.713 15 S HA 0.316 4.784 4.470 -0.003 0.000 0.277 15 S C 0.061 174.471 174.600 -0.318 0.000 1.168 15 S CA -0.304 57.726 58.200 -0.283 0.000 0.994 15 S CB 1.230 64.333 63.200 -0.162 0.000 1.054 15 S HN 0.653 nan 8.310 nan 0.000 0.555 16 D N -1.138 119.181 120.400 -0.134 0.000 2.615 16 D HA 0.164 4.802 4.640 -0.003 0.000 0.236 16 D C 0.981 177.066 176.300 -0.359 0.000 1.233 16 D CA -0.406 53.460 54.000 -0.223 0.000 0.829 16 D CB -0.324 40.346 40.800 -0.217 0.000 1.024 16 D HN 0.535 nan 8.370 nan 0.000 0.490 17 R N 0.319 120.731 120.500 -0.147 0.000 2.193 17 R HA -0.038 4.300 4.340 -0.003 0.000 0.229 17 R C 1.657 177.854 176.300 -0.173 0.000 1.110 17 R CA 1.165 57.218 56.100 -0.080 0.000 0.988 17 R CB -0.307 30.008 30.300 0.024 0.000 0.871 17 R HN 0.478 nan 8.270 nan 0.000 0.458 18 W N 2.241 123.398 121.300 -0.239 0.000 2.421 18 W HA -0.158 4.500 4.660 -0.003 0.000 0.270 18 W C 0.776 177.120 176.519 -0.291 0.000 1.233 18 W CA 0.740 57.718 57.345 -0.611 0.000 1.226 18 W CB -0.313 28.957 29.460 -0.317 0.000 1.121 18 W HN 0.025 nan 8.180 nan 0.000 0.579 19 R N -1.102 118.802 120.500 -0.994 0.000 2.586 19 R HA 0.112 4.450 4.340 -0.003 0.000 0.336 19 R C 1.355 177.510 176.300 -0.242 0.000 1.060 19 R CA -0.424 55.206 56.100 -0.783 0.000 1.079 19 R CB -1.362 27.944 30.300 -1.657 0.000 1.317 19 R HN -0.015 nan 8.270 nan 0.000 0.568 20 Y N 0.135 120.297 120.300 -0.231 0.000 2.163 20 Y HA 0.039 4.588 4.550 -0.003 0.000 0.288 20 Y C 0.359 176.309 175.900 0.083 0.000 1.136 20 Y CA 0.431 58.498 58.100 -0.055 0.000 1.147 20 Y CB 0.254 38.696 38.460 -0.030 0.000 0.987 20 Y HN 0.332 nan 8.280 nan 0.000 0.509 21 C N -0.233 119.121 119.300 0.090 0.000 2.994 21 C HA 0.735 5.193 4.460 -0.003 0.000 0.305 21 C C -1.095 173.754 174.990 -0.234 0.000 1.251 21 C CA -0.799 58.170 59.018 -0.081 0.000 1.478 21 C CB 0.920 28.612 27.740 -0.081 0.000 1.922 21 C HN 0.083 nan 8.230 nan 0.000 0.472 22 V N 3.112 122.710 119.914 -0.526 0.000 3.007 22 V HA 0.911 5.029 4.120 -0.003 0.000 0.311 22 V C 0.329 176.155 176.094 -0.447 0.000 1.120 22 V CA 0.536 62.381 62.300 -0.759 0.000 0.980 22 V CB 2.138 32.932 31.823 -1.714 0.000 1.033 22 V HN 1.263 nan 8.190 nan 0.000 0.429 23 G N 1.560 110.161 108.800 -0.331 0.000 2.528 23 G HA2 0.612 4.570 3.960 -0.003 0.000 0.289 23 G HA3 0.612 4.570 3.960 -0.003 0.000 0.289 23 G C -0.464 174.246 174.900 -0.316 0.000 1.192 23 G CA 0.137 45.078 45.100 -0.266 0.000 0.921 23 G HN 1.055 nan 8.290 nan 0.000 0.512 24 T N -1.675 112.602 114.554 -0.461 0.000 2.821 24 T HA 0.617 4.965 4.350 -0.003 0.000 0.306 24 T C 0.564 175.034 174.700 -0.383 0.000 1.313 24 T CA 0.320 62.286 62.100 -0.223 0.000 1.012 24 T CB 1.125 70.109 68.868 0.194 0.000 1.298 24 T HN 0.967 nan 8.240 nan 0.000 0.502 25 G N 1.261 110.015 108.800 -0.077 0.000 2.653 25 G HA2 0.462 4.420 3.960 -0.003 0.000 0.265 25 G HA3 0.462 4.420 3.960 -0.003 0.000 0.265 25 G C -0.004 174.825 174.900 -0.117 0.000 1.237 25 G CA -0.721 44.328 45.100 -0.086 0.000 0.946 25 G HN 1.044 nan 8.290 nan 0.000 0.522 26 R N -0.425 119.911 120.500 -0.275 0.000 2.638 26 R HA 0.055 4.393 4.340 -0.003 0.000 0.268 26 R C 1.096 177.260 176.300 -0.227 0.000 1.006 26 R CA -0.326 55.593 56.100 -0.302 0.000 1.088 26 R CB 0.283 30.083 30.300 -0.833 0.000 0.950 26 R HN 0.384 nan 8.270 nan 0.000 0.419 27 L N 2.725 123.865 121.223 -0.140 0.000 2.089 27 L HA -0.216 4.122 4.340 -0.003 0.000 0.213 27 L C 2.487 179.181 176.870 -0.294 0.000 1.079 27 L CA 1.957 56.706 54.840 -0.151 0.000 0.758 27 L CB -1.044 40.952 42.059 -0.104 0.000 0.891 27 L HN 1.099 nan 8.230 nan 0.000 0.433 28 G N -0.031 108.593 108.800 -0.293 0.000 2.516 28 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.221 28 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.221 28 G C 1.573 176.264 174.900 -0.348 0.000 1.107 28 G CA 0.441 45.357 45.100 -0.306 0.000 0.747 28 G HN 0.332 nan 8.290 nan 0.000 0.567 29 L N 0.138 121.148 121.223 -0.356 0.000 2.418 29 L HA 0.170 4.508 4.340 -0.003 0.000 0.218 29 L C 3.057 179.579 176.870 -0.579 0.000 1.125 29 L CA 0.466 55.123 54.840 -0.304 0.000 0.835 29 L CB -0.140 41.848 42.059 -0.118 0.000 0.953 29 L HN 0.241 nan 8.230 nan 0.000 0.454 30 A N 0.213 122.446 122.820 -0.979 0.000 2.225 30 A HA -0.077 4.242 4.320 -0.003 0.000 0.215 30 A C 2.097 179.296 177.584 -0.641 0.000 1.164 30 A CA 1.011 52.182 52.037 -1.444 0.000 0.710 30 A CB -0.518 17.908 19.000 -0.957 0.000 0.780 30 A HN 0.428 nan 8.150 nan 0.000 0.473 31 L N -0.781 120.155 121.223 -0.479 0.000 2.492 31 L HA -0.008 4.330 4.340 -0.003 0.000 0.223 31 L C 0.870 177.615 176.870 -0.210 0.000 1.132 31 L CA 0.041 54.668 54.840 -0.356 0.000 0.850 31 L CB -0.222 41.553 42.059 -0.475 0.000 0.966 31 L HN 0.460 nan 8.230 nan 0.000 0.454 32 Q N 0.429 120.137 119.800 -0.153 0.000 2.340 32 Q HA -0.009 4.329 4.340 -0.003 0.000 0.249 32 Q C 0.771 176.793 176.000 0.037 0.000 0.957 32 Q CA -0.032 55.749 55.803 -0.036 0.000 0.882 32 Q CB 1.497 30.245 28.738 0.017 0.000 1.235 32 Q HN 0.065 nan 8.270 nan 0.000 0.439 33 K N 2.038 122.453 120.400 0.026 0.000 2.026 33 K HA -0.261 4.057 4.320 -0.003 0.000 0.208 33 K C 1.698 178.342 176.600 0.073 0.000 1.048 33 K CA 1.822 58.133 56.287 0.041 0.000 0.929 33 K CB 0.118 32.628 32.500 0.016 0.000 0.713 33 K HN 0.605 nan 8.250 nan 0.000 0.439 34 E N -0.026 120.210 120.200 0.059 0.000 2.086 34 E HA -0.276 4.072 4.350 -0.003 0.000 0.200 34 E C 1.803 178.469 176.600 0.110 0.000 1.012 34 E CA 1.930 58.360 56.400 0.050 0.000 0.812 34 E CB -0.489 29.224 29.700 0.022 0.000 0.743 34 E HN 0.476 nan 8.360 nan 0.000 0.453 35 Y N 0.298 120.614 120.300 0.026 0.000 2.030 35 Y HA -0.280 4.269 4.550 -0.003 0.000 0.274 35 Y C 2.037 178.028 175.900 0.151 0.000 1.153 35 Y CA 2.113 60.273 58.100 0.099 0.000 1.115 35 Y CB -0.265 38.248 38.460 0.087 0.000 0.969 35 Y HN 0.100 nan 8.280 nan 0.000 0.488 36 I N 1.031 121.878 120.570 0.462 0.000 2.151 36 I HA -0.318 3.850 4.170 -0.003 0.000 0.243 36 I C 2.202 178.417 176.117 0.163 0.000 1.080 36 I CA 1.857 63.344 61.300 0.311 0.000 1.339 36 I CB -1.569 36.550 38.000 0.199 0.000 1.039 36 I HN 0.469 nan 8.210 nan 0.000 0.409 37 E N 0.187 120.457 120.200 0.118 0.000 2.118 37 E HA -0.182 4.166 4.350 -0.003 0.000 0.195 37 E C 2.063 178.720 176.600 0.096 0.000 0.992 37 E CA 1.846 58.292 56.400 0.076 0.000 0.804 37 E CB -0.290 29.429 29.700 0.031 0.000 0.741 37 E HN 0.472 nan 8.360 nan 0.000 0.458 38 T N 1.625 116.240 114.554 0.101 0.000 2.857 38 T HA -0.056 4.292 4.350 -0.003 0.000 0.266 38 T C 1.844 176.668 174.700 0.206 0.000 1.048 38 T CA 0.443 62.635 62.100 0.154 0.000 1.139 38 T CB -0.077 68.841 68.868 0.084 0.000 0.874 38 T HN 0.114 nan 8.240 nan 0.000 0.455 39 L N 0.630 121.907 121.223 0.090 0.000 2.056 39 L HA -0.093 4.245 4.340 -0.003 0.000 0.207 39 L C 2.426 179.239 176.870 -0.094 0.000 1.078 39 L CA 1.616 56.331 54.840 -0.208 0.000 0.749 39 L CB -0.242 41.627 42.059 -0.316 0.000 0.901 39 L HN 0.240 nan 8.230 nan 0.000 0.433 40 K N -1.120 119.289 120.400 0.016 0.000 2.057 40 K HA -0.252 4.067 4.320 -0.003 0.000 0.207 40 K C 2.022 178.671 176.600 0.081 0.000 1.049 40 K CA 1.704 58.011 56.287 0.033 0.000 0.931 40 K CB -0.407 32.129 32.500 0.061 0.000 0.714 40 K HN 0.241 nan 8.250 nan 0.000 0.440 41 Y N 1.837 122.136 120.300 -0.002 0.000 2.097 41 Y HA -0.266 4.282 4.550 -0.003 0.000 0.282 41 Y C 1.995 177.936 175.900 0.069 0.000 1.152 41 Y CA 1.165 59.274 58.100 0.014 0.000 1.136 41 Y CB -0.593 37.852 38.460 -0.024 0.000 0.975 41 Y HN -0.250 nan 8.280 nan 0.000 0.498 42 V N 0.996 120.871 119.914 -0.065 0.000 2.287 42 V HA -0.299 3.819 4.120 -0.003 0.000 0.248 42 V C 2.512 178.564 176.094 -0.071 0.000 1.053 42 V CA 2.237 64.515 62.300 -0.037 0.000 1.027 42 V CB -0.617 31.277 31.823 0.118 0.000 0.646 42 V HN 0.286 nan 8.190 nan 0.000 0.447 43 K N 0.009 120.359 120.400 -0.083 0.000 2.147 43 K HA -0.166 4.153 4.320 -0.003 0.000 0.205 43 K C 2.011 178.547 176.600 -0.105 0.000 1.049 43 K CA 1.247 57.469 56.287 -0.108 0.000 0.936 43 K CB -0.262 32.162 32.500 -0.126 0.000 0.722 43 K HN 0.597 nan 8.250 nan 0.000 0.446 44 E N 0.119 120.274 120.200 -0.074 0.000 2.347 44 E HA -0.067 4.281 4.350 -0.003 0.000 0.196 44 E C 1.292 177.856 176.600 -0.061 0.000 1.008 44 E CA 0.482 56.855 56.400 -0.045 0.000 0.852 44 E CB 0.145 29.853 29.700 0.012 0.000 0.783 44 E HN 0.275 nan 8.360 nan 0.000 0.505 45 N N -0.360 118.274 118.700 -0.110 0.000 2.332 45 N HA 0.167 4.905 4.740 -0.003 0.000 0.190 45 N C -0.095 175.297 175.510 -0.198 0.000 1.117 45 N CA 0.406 53.386 53.050 -0.117 0.000 0.883 45 N CB 1.560 39.998 38.487 -0.081 0.000 1.089 45 N HN 0.025 nan 8.380 nan 0.000 0.480 46 I N 0.642 121.056 120.570 -0.260 0.000 2.586 46 I HA 0.083 4.251 4.170 -0.003 0.000 0.288 46 I C -0.943 174.891 176.117 -0.472 0.000 1.147 46 I CA -0.679 60.364 61.300 -0.429 0.000 1.047 46 I CB 2.700 40.280 38.000 -0.700 0.000 1.244 46 I HN -0.295 nan 8.210 nan 0.000 0.429 47 D N 6.396 126.534 120.400 -0.437 0.000 2.801 47 D HA 0.173 4.811 4.640 -0.003 0.000 0.232 47 D C -0.317 175.737 176.300 -0.410 0.000 1.128 47 D CA 0.056 53.846 54.000 -0.350 0.000 1.003 47 D CB -0.278 40.369 40.800 -0.255 0.000 1.110 47 D HN 0.147 nan 8.370 nan 0.000 0.477 48 F N 1.305 121.070 119.950 -0.308 0.000 2.538 48 F HA 0.064 4.589 4.527 -0.003 0.000 0.371 48 F C 1.989 177.552 175.800 -0.395 0.000 1.087 48 F CA -0.253 57.536 58.000 -0.351 0.000 1.250 48 F CB 1.011 39.797 39.000 -0.357 0.000 1.110 48 F HN -0.049 nan 8.300 nan 0.000 0.570 49 K N 3.005 123.269 120.400 -0.227 0.000 2.137 49 K HA 0.029 4.348 4.320 -0.003 0.000 0.202 49 K C -0.413 175.735 176.600 -0.753 0.000 1.052 49 K CA 1.032 57.038 56.287 -0.468 0.000 0.961 49 K CB 0.125 32.352 32.500 -0.454 0.000 0.741 49 K HN 0.479 nan 8.250 nan 0.000 0.452 50 Y N -0.928 119.085 120.300 -0.478 0.000 2.605 50 Y HA 0.510 5.058 4.550 -0.003 0.000 0.343 50 Y C -0.561 175.062 175.900 -0.462 0.000 1.036 50 Y CA -1.090 56.726 58.100 -0.475 0.000 1.065 50 Y CB 2.049 40.252 38.460 -0.429 0.000 1.288 50 Y HN -0.212 nan 8.280 nan 0.000 0.481 51 I N 2.319 122.714 120.570 -0.291 0.000 2.534 51 I HA 0.492 4.660 4.170 -0.003 0.000 0.288 51 I C -1.435 174.568 176.117 -0.190 0.000 1.077 51 I CA -0.795 60.273 61.300 -0.386 0.000 1.051 51 I CB 1.089 38.682 38.000 -0.678 0.000 1.234 51 I HN 0.545 nan 8.210 nan 0.000 0.425 52 R N 5.862 126.272 120.500 -0.151 0.000 2.439 52 R HA 0.783 5.121 4.340 -0.003 0.000 0.310 52 R C -1.180 175.153 176.300 0.055 0.000 0.955 52 R CA -0.479 55.597 56.100 -0.039 0.000 0.853 52 R CB 1.721 31.900 30.300 -0.201 0.000 1.171 52 R HN 0.880 nan 8.270 nan 0.000 0.449 53 G N 2.568 111.432 108.800 0.107 0.000 2.684 53 G HA2 0.396 4.354 3.960 -0.003 0.000 0.290 53 G HA3 0.396 4.354 3.960 -0.003 0.000 0.290 53 G C -1.166 173.810 174.900 0.126 0.000 1.425 53 G CA -0.559 44.598 45.100 0.096 0.000 0.822 53 G HN 0.576 nan 8.290 nan 0.000 0.482 54 H N -0.913 118.304 119.070 0.245 0.000 2.490 54 H HA 0.532 5.086 4.556 -0.003 0.000 0.354 54 H C 1.423 176.743 175.328 -0.013 0.000 1.365 54 H CA 0.385 56.477 56.048 0.074 0.000 1.413 54 H CB 0.942 30.872 29.762 0.281 0.000 1.631 54 H HN 1.560 nan 8.280 nan 0.000 0.607 55 G N -0.081 108.754 108.800 0.057 0.000 2.136 55 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.242 55 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.242 55 G C 1.063 175.991 174.900 0.048 0.000 0.989 55 G CA 0.560 45.687 45.100 0.044 0.000 0.682 55 G HN 0.562 nan 8.290 nan 0.000 0.522 56 L N -0.004 121.266 121.223 0.078 0.000 2.043 56 L HA 0.118 4.456 4.340 -0.003 0.000 0.212 56 L C 2.350 179.299 176.870 0.131 0.000 1.075 56 L CA 2.681 57.591 54.840 0.115 0.000 0.752 56 L CB -0.263 41.923 42.059 0.212 0.000 0.891 56 L HN 0.406 nan 8.230 nan 0.000 0.432 57 L N -1.235 120.089 121.223 0.168 0.000 2.607 57 L HA 0.093 4.432 4.340 -0.003 0.000 0.228 57 L C 1.011 178.028 176.870 0.246 0.000 1.123 57 L CA -0.604 54.359 54.840 0.205 0.000 0.890 57 L CB -0.387 41.819 42.059 0.244 0.000 1.103 57 L HN 0.192 nan 8.230 nan 0.000 0.468 58 C N 0.895 120.338 119.300 0.239 0.000 2.727 58 C HA -0.070 4.388 4.460 -0.003 0.000 0.401 58 C C 1.883 176.998 174.990 0.208 0.000 1.294 58 C CA -0.390 58.796 59.018 0.280 0.000 2.134 58 C CB 0.379 28.307 27.740 0.314 0.000 2.724 58 C HN 0.443 nan 8.230 nan 0.000 0.677 59 D N 0.887 121.414 120.400 0.212 0.000 2.371 59 D HA -0.094 4.545 4.640 -0.003 0.000 0.221 59 D C 1.508 177.877 176.300 0.115 0.000 0.986 59 D CA 0.825 54.918 54.000 0.156 0.000 0.899 59 D CB -0.157 40.733 40.800 0.151 0.000 0.902 59 D HN 0.731 nan 8.370 nan 0.000 0.530 60 D N 0.400 120.866 120.400 0.110 0.000 2.162 60 D HA -0.099 4.539 4.640 -0.003 0.000 0.203 60 D C 2.043 178.443 176.300 0.168 0.000 0.967 60 D CA 0.331 54.390 54.000 0.098 0.000 0.840 60 D CB -0.471 40.346 40.800 0.029 0.000 0.972 60 D HN 0.072 nan 8.370 nan 0.000 0.482 61 V N 0.760 120.755 119.914 0.135 0.000 2.548 61 V HA 0.062 4.181 4.120 -0.003 0.000 0.249 61 V C 1.955 178.136 176.094 0.144 0.000 1.055 61 V CA 1.220 63.641 62.300 0.201 0.000 1.065 61 V CB -1.143 30.729 31.823 0.081 0.000 0.681 61 V HN 0.543 nan 8.190 nan 0.000 0.462 62 G N 0.128 108.979 108.800 0.086 0.000 2.249 62 G HA2 -0.311 3.648 3.960 -0.003 0.000 0.273 62 G HA3 -0.311 3.648 3.960 -0.003 0.000 0.273 62 G C 0.641 175.537 174.900 -0.006 0.000 1.036 62 G CA 0.749 45.862 45.100 0.022 0.000 0.824 62 G HN 0.490 nan 8.290 nan 0.000 0.504 63 I N -1.482 119.109 120.570 0.034 0.000 2.179 63 I HA -0.043 4.126 4.170 -0.003 0.000 0.242 63 I C 1.515 177.657 176.117 0.042 0.000 1.088 63 I CA 0.849 62.130 61.300 -0.030 0.000 1.357 63 I CB -0.092 37.919 38.000 0.019 0.000 1.051 63 I HN 0.329 nan 8.210 nan 0.000 0.409 64 Y N 2.679 123.005 120.300 0.044 0.000 2.404 64 Y HA 0.418 4.967 4.550 -0.002 0.000 0.344 64 Y C 0.136 176.056 175.900 0.034 0.000 0.995 64 Y CA -0.491 57.654 58.100 0.075 0.000 1.201 64 Y CB 0.119 38.660 38.460 0.136 0.000 1.151 64 Y HN -0.018 nan 8.280 nan 0.000 0.517 65 R N 2.878 122.936 120.500 -0.736 0.000 2.905 65 R HA 0.540 4.878 4.340 -0.003 0.000 0.260 65 R C -1.356 174.524 176.300 -0.699 0.000 1.086 65 R CA -1.148 54.624 56.100 -0.547 0.000 0.978 65 R CB 1.542 31.691 30.300 -0.252 0.000 1.215 65 R HN 0.695 nan 8.270 nan 0.000 0.480 66 E N 0.427 120.396 120.200 -0.384 0.000 2.274 66 E HA 0.283 4.631 4.350 -0.003 0.000 0.269 66 E C -1.310 175.191 176.600 -0.165 0.000 0.891 66 E CA -0.711 55.532 56.400 -0.261 0.000 0.784 66 E CB 2.156 31.758 29.700 -0.162 0.000 1.225 66 E HN 0.334 nan 8.360 nan 0.000 0.412 67 D N 1.894 122.215 120.400 -0.132 0.000 2.225 67 D HA 0.213 4.851 4.640 -0.003 0.000 0.248 67 D C -0.490 175.766 176.300 -0.073 0.000 1.096 67 D CA -0.359 53.573 54.000 -0.113 0.000 0.863 67 D CB 2.076 42.813 40.800 -0.105 0.000 1.156 67 D HN 0.045 nan 8.370 nan 0.000 0.450 68 V N 2.890 122.764 119.914 -0.067 0.000 2.277 68 V HA 0.141 4.260 4.120 -0.003 0.000 0.269 68 V C 0.226 176.297 176.094 -0.039 0.000 1.036 68 V CA -0.818 61.455 62.300 -0.044 0.000 0.821 68 V CB 1.013 32.814 31.823 -0.038 0.000 1.052 68 V HN 0.364 nan 8.190 nan 0.000 0.462 69 V N 3.121 123.017 119.914 -0.031 0.000 2.334 69 V HA 0.897 5.016 4.120 -0.003 0.000 0.267 69 V C 1.065 177.148 176.094 -0.017 0.000 1.040 69 V CA 0.491 62.776 62.300 -0.025 0.000 0.866 69 V CB -0.084 31.726 31.823 -0.022 0.000 1.019 69 V HN 1.051 nan 8.190 nan 0.000 0.468 70 G N 4.415 113.205 108.800 -0.017 0.000 2.677 70 G HA2 -0.341 3.618 3.960 -0.003 0.000 0.321 70 G HA3 -0.341 3.618 3.960 -0.003 0.000 0.321 70 G C 0.538 175.432 174.900 -0.010 0.000 1.181 70 G CA 0.993 46.085 45.100 -0.012 0.000 0.965 70 G HN 0.646 nan 8.290 nan 0.000 0.548 71 D N 0.966 121.363 120.400 -0.005 0.000 2.566 71 D HA 0.155 4.793 4.640 -0.003 0.000 0.253 71 D C 1.184 177.484 176.300 0.000 0.000 0.992 71 D CA 0.591 54.590 54.000 -0.002 0.000 0.940 71 D CB -0.125 40.676 40.800 0.002 0.000 1.095 71 D HN 0.425 nan 8.370 nan 0.000 0.480 72 E N 1.297 121.498 120.200 0.001 0.000 2.608 72 E HA -0.000 4.348 4.350 -0.003 0.000 0.259 72 E C -0.961 175.638 176.600 -0.001 0.000 0.951 72 E CA 0.253 56.655 56.400 0.004 0.000 0.945 72 E CB 0.517 30.220 29.700 0.004 0.000 0.916 72 E HN -0.230 nan 8.360 nan 0.000 0.477 73 V N 6.398 126.315 119.914 0.005 0.000 2.357 73 V HA 0.310 4.428 4.120 -0.003 0.000 0.284 73 V C -0.126 175.969 176.094 0.000 0.000 1.018 73 V CA -0.652 61.648 62.300 -0.001 0.000 0.841 73 V CB 1.383 33.212 31.823 0.010 0.000 0.991 73 V HN 0.585 nan 8.190 nan 0.000 0.437 74 K N 6.753 127.141 120.400 -0.021 0.000 2.244 74 K HA 0.510 4.828 4.320 -0.003 0.000 0.260 74 K C -2.677 173.873 176.600 -0.083 0.000 0.951 74 K CA -1.780 54.490 56.287 -0.028 0.000 0.826 74 K CB 2.418 34.907 32.500 -0.019 0.000 1.108 74 K HN 0.383 nan 8.250 nan 0.000 0.433 75 P HA 0.073 nan 4.420 nan 0.000 0.272 75 P C -1.102 175.913 177.300 -0.475 0.000 1.223 75 P CA -0.123 62.796 63.100 -0.302 0.000 0.784 75 P CB 0.529 32.155 31.700 -0.124 0.000 0.923 76 F N 2.598 122.082 119.950 -0.777 0.000 2.539 76 F HA 0.426 4.951 4.527 -0.003 0.000 0.318 76 F C -1.240 174.095 175.800 -0.775 0.000 1.135 76 F CA -0.942 56.648 58.000 -0.683 0.000 0.915 76 F CB 1.412 40.163 39.000 -0.415 0.000 1.176 76 F HN 0.178 nan 8.300 nan 0.000 0.440 77 Y N 4.383 124.205 120.300 -0.797 0.000 2.385 77 Y HA 0.300 4.849 4.550 -0.002 0.000 0.341 77 Y C -0.023 175.209 175.900 -1.114 0.000 0.965 77 Y CA -0.857 56.774 58.100 -0.782 0.000 1.180 77 Y CB 0.676 38.697 38.460 -0.732 0.000 1.139 77 Y HN 0.499 nan 8.280 nan 0.000 0.502 78 N N 3.322 121.731 118.700 -0.486 0.000 2.439 78 N HA 0.222 4.960 4.740 -0.003 0.000 0.249 78 N C -0.570 174.648 175.510 -0.487 0.000 1.003 78 N CA -0.368 52.509 53.050 -0.288 0.000 0.942 78 N CB 0.262 38.739 38.487 -0.016 0.000 1.115 78 N HN 0.530 nan 8.380 nan 0.000 0.505 79 F N 0.795 120.682 119.950 -0.105 0.000 2.727 79 F HA 0.109 4.635 4.527 -0.003 0.000 0.302 79 F C 2.004 177.801 175.800 -0.004 0.000 1.097 79 F CA -0.234 57.682 58.000 -0.141 0.000 1.330 79 F CB 0.248 38.938 39.000 -0.516 0.000 1.084 79 F HN 0.380 nan 8.300 nan 0.000 0.578 80 T N -0.108 114.511 114.554 0.108 0.000 2.649 80 T HA -0.282 4.066 4.350 -0.003 0.000 0.268 80 T C 1.579 176.421 174.700 0.236 0.000 1.036 80 T CA 1.881 64.049 62.100 0.114 0.000 1.157 80 T CB -0.390 68.460 68.868 -0.029 0.000 0.861 80 T HN 0.212 nan 8.240 nan 0.000 0.445 81 Y N 1.078 121.391 120.300 0.022 0.000 2.176 81 Y HA 0.086 4.634 4.550 -0.002 0.000 0.291 81 Y C 2.347 178.202 175.900 -0.074 0.000 1.122 81 Y CA -0.347 57.733 58.100 -0.034 0.000 1.128 81 Y CB -1.149 37.274 38.460 -0.063 0.000 1.005 81 Y HN 0.249 nan 8.280 nan 0.000 0.509 82 I N -0.460 120.173 120.570 0.106 0.000 2.361 82 I HA -0.198 3.970 4.170 -0.003 0.000 0.251 82 I C 1.743 177.844 176.117 -0.026 0.000 1.133 82 I CA 1.324 62.539 61.300 -0.141 0.000 1.413 82 I CB -1.096 36.823 38.000 -0.135 0.000 1.073 82 I HN -0.073 nan 8.210 nan 0.000 0.424 83 D N 0.959 121.490 120.400 0.217 0.000 2.104 83 D HA -0.200 4.438 4.640 -0.003 0.000 0.194 83 D C 2.336 178.759 176.300 0.205 0.000 0.994 83 D CA 1.306 55.492 54.000 0.311 0.000 0.830 83 D CB -0.263 40.726 40.800 0.316 0.000 0.959 83 D HN 0.346 nan 8.370 nan 0.000 0.452 84 R N 0.137 120.704 120.500 0.112 0.000 2.075 84 R HA -0.052 4.286 4.340 -0.003 0.000 0.232 84 R C 2.331 178.590 176.300 -0.068 0.000 1.126 84 R CA 0.811 56.935 56.100 0.040 0.000 0.963 84 R CB -0.237 30.076 30.300 0.022 0.000 0.858 84 R HN 0.198 nan 8.270 nan 0.000 0.435 85 I N -0.138 120.312 120.570 -0.199 0.000 2.113 85 I HA -0.288 3.880 4.170 -0.003 0.000 0.238 85 I C 2.052 177.889 176.117 -0.467 0.000 1.070 85 I CA 1.533 62.564 61.300 -0.448 0.000 1.332 85 I CB -0.367 37.270 38.000 -0.605 0.000 1.044 85 I HN 0.182 nan 8.210 nan 0.000 0.402 86 F N 0.655 120.338 119.950 -0.444 0.000 2.365 86 F HA -0.196 4.329 4.527 -0.003 0.000 0.300 86 F C 2.169 177.852 175.800 -0.195 0.000 1.090 86 F CA 0.149 57.881 58.000 -0.447 0.000 1.408 86 F CB -0.198 38.545 39.000 -0.430 0.000 1.060 86 F HN 0.164 nan 8.300 nan 0.000 0.534 87 D N 0.188 120.705 120.400 0.194 0.000 2.117 87 D HA -0.151 4.487 4.640 -0.003 0.000 0.198 87 D C 2.372 178.737 176.300 0.109 0.000 0.982 87 D CA 1.732 55.864 54.000 0.221 0.000 0.828 87 D CB -0.370 40.550 40.800 0.200 0.000 0.967 87 D HN 0.187 nan 8.370 nan 0.000 0.464 88 S N 0.005 115.734 115.700 0.049 0.000 2.382 88 S HA -0.146 4.323 4.470 -0.003 0.000 0.228 88 S C 2.050 176.759 174.600 0.182 0.000 1.027 88 S CA 0.584 58.829 58.200 0.075 0.000 0.991 88 S CB -0.617 62.603 63.200 0.032 0.000 0.823 88 S HN 0.039 nan 8.310 nan 0.000 0.469 89 F N 2.110 122.026 119.950 -0.056 0.000 2.102 89 F HA 0.172 4.697 4.527 -0.002 0.000 0.298 89 F C 2.306 177.985 175.800 -0.202 0.000 1.105 89 F CA 0.079 57.981 58.000 -0.164 0.000 1.239 89 F CB -1.167 37.667 39.000 -0.277 0.000 0.991 89 F HN 0.207 nan 8.300 nan 0.000 0.474 90 L N -0.302 120.929 121.223 0.014 0.000 2.141 90 L HA -0.188 4.150 4.340 -0.003 0.000 0.209 90 L C 2.377 179.243 176.870 -0.006 0.000 1.094 90 L CA 1.487 56.299 54.840 -0.047 0.000 0.763 90 L CB -0.706 41.335 42.059 -0.030 0.000 0.908 90 L HN 0.196 nan 8.230 nan 0.000 0.437 91 E N 1.167 121.389 120.200 0.037 0.000 2.077 91 E HA -0.238 4.110 4.350 -0.003 0.000 0.193 91 E C 2.241 178.844 176.600 0.005 0.000 0.989 91 E CA 1.348 57.768 56.400 0.033 0.000 0.800 91 E CB -0.046 29.686 29.700 0.053 0.000 0.746 91 E HN 0.497 nan 8.360 nan 0.000 0.452 92 I N -0.246 120.324 120.570 0.001 0.000 2.546 92 I HA -0.030 4.138 4.170 -0.003 0.000 0.255 92 I C 1.431 177.495 176.117 -0.088 0.000 1.163 92 I CA 0.895 62.173 61.300 -0.036 0.000 1.457 92 I CB 0.028 38.002 38.000 -0.043 0.000 1.092 92 I HN 0.478 nan 8.210 nan 0.000 0.434 93 G N 1.966 110.699 108.800 -0.111 0.000 2.141 93 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.195 93 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.195 93 G C -0.108 174.642 174.900 -0.250 0.000 1.012 93 G CA -0.162 44.845 45.100 -0.154 0.000 0.696 93 G HN 0.345 nan 8.290 nan 0.000 0.508 94 I N 0.182 120.563 120.570 -0.314 0.000 2.498 94 I HA 0.665 4.833 4.170 -0.003 0.000 0.290 94 I C 0.126 175.900 176.117 -0.571 0.000 1.032 94 I CA -1.379 59.638 61.300 -0.471 0.000 1.073 94 I CB 0.967 38.654 38.000 -0.522 0.000 1.251 94 I HN 0.123 nan 8.210 nan 0.000 0.426 95 R N 7.659 127.711 120.500 -0.747 0.000 2.536 95 R HA 0.504 4.842 4.340 -0.003 0.000 0.279 95 R C -2.531 173.301 176.300 -0.781 0.000 1.001 95 R CA -1.667 53.922 56.100 -0.852 0.000 1.027 95 R CB 0.810 30.577 30.300 -0.888 0.000 1.096 95 R HN 0.395 nan 8.270 nan 0.000 0.502 96 P HA 0.031 nan 4.420 nan 0.000 0.286 96 P C -1.088 175.963 177.300 -0.416 0.000 1.269 96 P CA -0.092 62.568 63.100 -0.734 0.000 0.787 96 P CB 0.520 31.463 31.700 -1.262 0.000 0.920 97 F N 4.887 124.660 119.950 -0.294 0.000 2.425 97 F HA 0.159 4.684 4.527 -0.003 0.000 0.354 97 F C 0.084 175.747 175.800 -0.228 0.000 1.162 97 F CA -0.781 57.030 58.000 -0.314 0.000 1.250 97 F CB 0.205 39.014 39.000 -0.319 0.000 1.579 97 F HN 0.016 nan 8.300 nan 0.000 0.589 98 V N 4.363 124.159 119.914 -0.197 0.000 2.584 98 V HA -0.113 4.005 4.120 -0.003 0.000 0.303 98 V C 0.385 176.600 176.094 0.202 0.000 1.035 98 V CA 0.260 62.539 62.300 -0.035 0.000 1.172 98 V CB 0.624 32.296 31.823 -0.252 0.000 0.896 98 V HN 0.622 nan 8.190 nan 0.000 0.486 99 E N 5.179 125.543 120.200 0.273 0.000 2.141 99 E HA 0.278 4.626 4.350 -0.003 0.000 0.259 99 E C -0.807 175.963 176.600 0.283 0.000 0.883 99 E CA -0.868 55.713 56.400 0.302 0.000 0.744 99 E CB 0.930 30.779 29.700 0.248 0.000 1.150 99 E HN 0.542 nan 8.360 nan 0.000 0.420 100 I N 3.895 124.693 120.570 0.379 0.000 2.581 100 I HA 0.307 4.475 4.170 -0.003 0.000 0.285 100 I C 0.855 177.208 176.117 0.393 0.000 1.129 100 I CA 0.715 62.258 61.300 0.405 0.000 1.397 100 I CB -0.290 38.002 38.000 0.487 0.000 1.399 100 I HN 0.709 nan 8.210 nan 0.000 0.537 101 G N 5.383 114.341 108.800 0.263 0.000 2.352 101 G HA2 0.259 4.217 3.960 -0.003 0.000 0.302 101 G HA3 0.259 4.217 3.960 -0.003 0.000 0.302 101 G C -1.037 173.801 174.900 -0.103 0.000 1.370 101 G CA -0.838 44.296 45.100 0.058 0.000 0.918 101 G HN 0.210 nan 8.290 nan 0.000 0.610 102 F N -0.235 119.806 119.950 0.152 0.000 2.415 102 F HA 0.740 5.265 4.527 -0.003 0.000 0.220 102 F C 1.392 177.465 175.800 0.455 0.000 0.876 102 F CA -0.677 57.299 58.000 -0.039 0.000 1.067 102 F CB 0.326 39.297 39.000 -0.050 0.000 2.152 102 F HN 0.166 nan 8.300 nan 0.000 0.651 103 M N 3.179 123.252 119.600 0.788 0.000 2.084 103 M HA 0.255 4.733 4.480 -0.003 0.000 0.351 103 M C -2.419 174.159 176.300 0.462 0.000 1.240 103 M CA -2.333 53.360 55.300 0.656 0.000 1.083 103 M CB 0.460 33.376 32.600 0.527 0.000 1.593 103 M HN 0.044 nan 8.290 nan 0.000 0.463 104 P HA -0.018 nan 4.420 nan 0.000 0.266 104 P C 0.527 178.003 177.300 0.295 0.000 1.195 104 P CA -0.123 63.187 63.100 0.350 0.000 0.768 104 P CB 0.895 32.818 31.700 0.371 0.000 0.838 105 K N 3.014 123.565 120.400 0.251 0.000 2.034 105 K HA -0.185 4.133 4.320 -0.003 0.000 0.214 105 K C 1.688 178.402 176.600 0.189 0.000 1.051 105 K CA 1.912 58.312 56.287 0.189 0.000 0.931 105 K CB -0.454 32.133 32.500 0.144 0.000 0.715 105 K HN 0.449 nan 8.250 nan 0.000 0.446 106 K N 0.373 120.921 120.400 0.246 0.000 2.442 106 K HA -0.030 4.288 4.320 -0.003 0.000 0.198 106 K C 1.763 178.528 176.600 0.275 0.000 1.044 106 K CA 0.530 56.973 56.287 0.259 0.000 0.948 106 K CB 0.078 32.744 32.500 0.277 0.000 0.762 106 K HN 0.134 nan 8.250 nan 0.000 0.472 107 L N -0.038 121.322 121.223 0.229 0.000 2.616 107 L HA 0.195 4.533 4.340 -0.003 0.000 0.229 107 L C 0.665 177.585 176.870 0.083 0.000 1.110 107 L CA -0.508 54.396 54.840 0.106 0.000 0.884 107 L CB 0.235 42.279 42.059 -0.024 0.000 1.115 107 L HN -0.004 nan 8.230 nan 0.000 0.481 108 A N 0.338 123.223 122.820 0.108 0.000 2.466 108 A HA 0.189 4.507 4.320 -0.003 0.000 0.238 108 A C 1.283 178.881 177.584 0.024 0.000 1.074 108 A CA 0.596 52.675 52.037 0.070 0.000 0.774 108 A CB 0.409 19.462 19.000 0.089 0.000 1.015 108 A HN 0.343 nan 8.150 nan 0.000 0.498 109 S N 1.057 116.748 115.700 -0.015 0.000 2.506 109 S HA 0.434 4.903 4.470 -0.003 0.000 0.219 109 S C 0.858 175.437 174.600 -0.034 0.000 1.031 109 S CA 0.504 58.686 58.200 -0.030 0.000 0.911 109 S CB -0.093 63.071 63.200 -0.060 0.000 0.812 109 S HN 1.457 nan 8.310 nan 0.000 0.497 110 G N 0.584 109.361 108.800 -0.038 0.000 3.105 110 G HA2 0.477 4.435 3.960 -0.003 0.000 0.277 110 G HA3 0.477 4.435 3.960 -0.003 0.000 0.277 110 G C 0.257 175.140 174.900 -0.027 0.000 1.375 110 G CA 0.131 45.203 45.100 -0.046 0.000 0.962 110 G HN 0.285 nan 8.290 nan 0.000 0.541 111 T N -2.798 111.732 114.554 -0.040 0.000 3.010 111 T HA 0.223 4.571 4.350 -0.003 0.000 0.257 111 T C 0.872 175.540 174.700 -0.054 0.000 1.020 111 T CA 0.050 62.130 62.100 -0.034 0.000 0.938 111 T CB 0.096 68.944 68.868 -0.034 0.000 1.049 111 T HN 0.446 nan 8.240 nan 0.000 0.522 112 Q N 2.685 122.440 119.800 -0.075 0.000 2.300 112 Q HA 0.331 4.669 4.340 -0.003 0.000 0.280 112 Q C -0.195 175.732 176.000 -0.121 0.000 1.033 112 Q CA 0.301 56.039 55.803 -0.109 0.000 0.903 112 Q CB 0.482 29.142 28.738 -0.129 0.000 1.195 112 Q HN 0.622 nan 8.270 nan 0.000 0.386 113 T N -0.292 114.158 114.554 -0.173 0.000 2.864 113 T HA 0.713 5.061 4.350 -0.003 0.000 0.289 113 T C -0.979 173.488 174.700 -0.389 0.000 1.082 113 T CA -0.853 61.109 62.100 -0.230 0.000 1.009 113 T CB 1.742 70.512 68.868 -0.163 0.000 1.234 113 T HN 0.417 nan 8.240 nan 0.000 0.526 114 V N 1.465 121.038 119.914 -0.568 0.000 2.925 114 V HA 0.804 4.923 4.120 -0.003 0.000 0.311 114 V C -1.353 174.230 176.094 -0.851 0.000 1.104 114 V CA -0.933 60.836 62.300 -0.886 0.000 0.954 114 V CB 0.626 31.599 31.823 -1.415 0.000 1.022 114 V HN 1.117 nan 8.190 nan 0.000 0.427 115 F N 3.339 122.965 119.950 -0.540 0.000 2.183 115 F HA -0.256 4.269 4.527 -0.003 0.000 0.318 115 F C 0.601 176.170 175.800 -0.385 0.000 0.914 115 F CA 0.881 58.564 58.000 -0.528 0.000 0.912 115 F CB -1.014 37.373 39.000 -1.022 0.000 4.135 115 F HN 0.807 nan 8.300 nan 0.000 0.137 116 Y N 2.271 122.517 120.300 -0.089 0.000 2.207 116 Y HA -0.214 4.335 4.550 -0.003 0.000 0.287 116 Y C 1.897 177.832 175.900 0.059 0.000 1.156 116 Y CA 2.167 60.262 58.100 -0.008 0.000 1.182 116 Y CB -0.311 38.192 38.460 0.071 0.000 0.979 116 Y HN 0.463 nan 8.280 nan 0.000 0.521 117 W N 1.180 122.474 121.300 -0.009 0.000 3.292 117 W HA 0.259 4.917 4.660 -0.003 0.000 0.263 117 W C -0.480 176.022 176.519 -0.029 0.000 1.318 117 W CA 0.403 57.669 57.345 -0.133 0.000 1.663 117 W CB -1.369 28.093 29.460 0.003 0.000 1.114 117 W HN 0.199 nan 8.180 nan 0.000 0.706 118 E N 0.768 120.905 120.200 -0.104 0.000 2.246 118 E HA -0.141 4.207 4.350 -0.003 0.000 0.173 118 E C 0.754 177.364 176.600 0.018 0.000 1.532 118 E CA 0.564 56.901 56.400 -0.105 0.000 0.672 118 E CB -1.259 28.405 29.700 -0.058 0.000 1.078 118 E HN 0.381 nan 8.360 nan 0.000 0.338 119 G N 1.979 110.732 108.800 -0.079 0.000 2.390 119 G HA2 0.144 4.102 3.960 -0.003 0.000 0.270 119 G HA3 0.144 4.102 3.960 -0.003 0.000 0.270 119 G C 0.035 174.911 174.900 -0.040 0.000 1.211 119 G CA -0.523 44.681 45.100 0.172 0.000 0.842 119 G HN 0.281 nan 8.290 nan 0.000 0.519 120 N N 1.841 120.620 118.700 0.132 0.000 2.475 120 N HA 0.016 4.754 4.740 -0.003 0.000 0.267 120 N C 0.581 176.200 175.510 0.181 0.000 1.169 120 N CA -0.236 52.880 53.050 0.111 0.000 0.947 120 N CB 1.604 40.198 38.487 0.180 0.000 1.061 120 N HN 0.076 nan 8.380 nan 0.000 0.466 121 V N 2.649 122.616 119.914 0.088 0.000 3.444 121 V HA 0.005 4.123 4.120 -0.003 0.000 0.308 121 V C 0.725 176.989 176.094 0.283 0.000 1.371 121 V CA 0.261 62.719 62.300 0.263 0.000 1.141 121 V CB -0.330 31.473 31.823 -0.034 0.000 1.037 121 V HN 0.790 nan 8.190 nan 0.000 0.433 122 T N -0.706 113.929 114.554 0.135 0.000 2.929 122 T HA 0.529 4.878 4.350 -0.003 0.000 0.284 122 T C -2.622 172.023 174.700 -0.092 0.000 1.014 122 T CA -2.204 59.840 62.100 -0.093 0.000 1.051 122 T CB 1.954 70.757 68.868 -0.108 0.000 1.028 122 T HN 0.039 nan 8.240 nan 0.000 0.485 123 P HA 0.216 nan 4.420 nan 0.000 0.270 123 P C -2.576 174.562 177.300 -0.269 0.000 1.223 123 P CA -1.337 61.632 63.100 -0.219 0.000 0.785 123 P CB -0.565 31.042 31.700 -0.155 0.000 0.923 124 P HA 0.087 nan 4.420 nan 0.000 0.271 124 P C 0.650 177.786 177.300 -0.275 0.000 1.218 124 P CA -0.137 62.727 63.100 -0.392 0.000 0.780 124 P CB 0.889 32.261 31.700 -0.546 0.000 0.901 125 K N 1.428 121.765 120.400 -0.105 0.000 2.097 125 K HA -0.099 4.220 4.320 -0.003 0.000 0.206 125 K C 0.536 177.143 176.600 0.012 0.000 1.049 125 K CA 1.456 57.728 56.287 -0.025 0.000 0.933 125 K CB -0.116 32.392 32.500 0.013 0.000 0.717 125 K HN 0.440 nan 8.250 nan 0.000 0.442 126 D N -1.095 119.303 120.400 -0.003 0.000 2.473 126 D HA 0.044 4.683 4.640 -0.003 0.000 0.253 126 D C -0.180 176.163 176.300 0.072 0.000 1.233 126 D CA -0.469 53.577 54.000 0.076 0.000 0.908 126 D CB 0.456 41.310 40.800 0.090 0.000 1.170 126 D HN 0.015 nan 8.370 nan 0.000 0.558 127 Y N 1.607 121.959 120.300 0.086 0.000 2.403 127 Y HA -0.100 4.448 4.550 -0.003 0.000 0.291 127 Y C 2.182 178.193 175.900 0.185 0.000 1.143 127 Y CA 0.811 58.987 58.100 0.126 0.000 1.257 127 Y CB 0.342 38.846 38.460 0.073 0.000 0.984 127 Y HN 0.428 nan 8.280 nan 0.000 0.550 128 E N 0.280 120.634 120.200 0.257 0.000 2.107 128 E HA -0.120 4.228 4.350 -0.003 0.000 0.191 128 E C 1.853 178.551 176.600 0.164 0.000 0.982 128 E CA 0.878 57.392 56.400 0.190 0.000 0.809 128 E CB -0.024 29.761 29.700 0.142 0.000 0.756 128 E HN 0.459 nan 8.360 nan 0.000 0.459 129 K N -0.114 120.379 120.400 0.155 0.000 2.155 129 K HA -0.101 4.217 4.320 -0.003 0.000 0.203 129 K C 1.964 178.629 176.600 0.107 0.000 1.052 129 K CA 0.799 57.164 56.287 0.130 0.000 0.948 129 K CB -0.164 32.402 32.500 0.110 0.000 0.728 129 K HN 0.253 nan 8.250 nan 0.000 0.448 130 W N 1.332 122.593 121.300 -0.065 0.000 2.381 130 W HA -0.138 4.521 4.660 -0.003 0.000 0.301 130 W C 1.962 178.467 176.519 -0.023 0.000 1.205 130 W CA 1.464 58.758 57.345 -0.086 0.000 1.285 130 W CB -0.319 29.065 29.460 -0.126 0.000 1.133 130 W HN 0.038 nan 8.180 nan 0.000 0.521 131 S N 0.812 116.603 115.700 0.152 0.000 2.382 131 S HA -0.188 4.280 4.470 -0.003 0.000 0.228 131 S C 1.375 175.931 174.600 -0.074 0.000 1.027 131 S CA 1.951 60.176 58.200 0.041 0.000 0.991 131 S CB -0.480 62.806 63.200 0.143 0.000 0.823 131 S HN 0.188 nan 8.310 nan 0.000 0.469 132 D N 1.187 121.578 120.400 -0.015 0.000 2.178 132 D HA -0.031 4.607 4.640 -0.003 0.000 0.202 132 D C 1.943 178.150 176.300 -0.155 0.000 0.974 132 D CA 0.532 54.523 54.000 -0.016 0.000 0.841 132 D CB -0.409 40.457 40.800 0.110 0.000 0.953 132 D HN 0.363 nan 8.370 nan 0.000 0.478 133 L N 0.696 121.801 121.223 -0.196 0.000 1.994 133 L HA -0.170 4.169 4.340 -0.003 0.000 0.208 133 L C 2.304 178.904 176.870 -0.449 0.000 1.071 133 L CA 1.041 55.675 54.840 -0.343 0.000 0.745 133 L CB -0.242 41.625 42.059 -0.320 0.000 0.892 133 L HN -0.099 nan 8.230 nan 0.000 0.431 134 V N 0.302 119.920 119.914 -0.494 0.000 2.282 134 V HA -0.367 3.751 4.120 -0.003 0.000 0.249 134 V C 2.538 178.417 176.094 -0.359 0.000 1.057 134 V CA 2.263 64.303 62.300 -0.434 0.000 1.032 134 V CB -0.631 30.939 31.823 -0.420 0.000 0.645 134 V HN 0.416 nan 8.190 nan 0.000 0.447 135 K N 0.047 120.256 120.400 -0.319 0.000 2.026 135 K HA -0.113 4.205 4.320 -0.003 0.000 0.208 135 K C 2.289 178.703 176.600 -0.309 0.000 1.048 135 K CA 1.582 57.673 56.287 -0.327 0.000 0.929 135 K CB -0.697 31.694 32.500 -0.181 0.000 0.713 135 K HN 0.465 nan 8.250 nan 0.000 0.439 136 A N 0.399 123.037 122.820 -0.304 0.000 1.892 136 A HA -0.180 4.138 4.320 -0.003 0.000 0.218 136 A C 2.328 179.783 177.584 -0.214 0.000 1.188 136 A CA 1.931 53.789 52.037 -0.297 0.000 0.631 136 A CB -0.891 17.554 19.000 -0.925 0.000 0.822 136 A HN 0.105 nan 8.150 nan 0.000 0.447 137 V N -0.070 119.661 119.914 -0.306 0.000 2.261 137 V HA -0.270 3.848 4.120 -0.003 0.000 0.246 137 V C 2.594 178.275 176.094 -0.688 0.000 1.047 137 V CA 2.061 64.120 62.300 -0.402 0.000 1.015 137 V CB -0.763 30.859 31.823 -0.335 0.000 0.642 137 V HN 0.577 nan 8.190 nan 0.000 0.446 138 L N -1.016 119.927 121.223 -0.466 0.000 2.017 138 L HA -0.197 4.142 4.340 -0.003 0.000 0.208 138 L C 2.688 179.431 176.870 -0.212 0.000 1.073 138 L CA 1.545 56.196 54.840 -0.315 0.000 0.745 138 L CB -0.848 40.999 42.059 -0.353 0.000 0.894 138 L HN 0.413 nan 8.230 nan 0.000 0.432 139 H N -1.683 117.279 119.070 -0.179 0.000 2.422 139 H HA -0.223 4.331 4.556 -0.003 0.000 0.298 139 H C 2.176 177.416 175.328 -0.147 0.000 1.098 139 H CA 1.830 57.800 56.048 -0.130 0.000 1.315 139 H CB -0.278 29.419 29.762 -0.108 0.000 1.382 139 H HN 0.454 nan 8.280 nan 0.000 0.523 140 H N -0.106 118.813 119.070 -0.251 0.000 2.363 140 H HA -0.042 4.512 4.556 -0.003 0.000 0.301 140 H C 2.169 177.408 175.328 -0.147 0.000 1.074 140 H CA 1.261 57.058 56.048 -0.420 0.000 1.354 140 H CB -0.458 28.555 29.762 -1.249 0.000 1.397 140 H HN 0.209 nan 8.280 nan 0.000 0.516 141 F N -0.134 119.774 119.950 -0.069 0.000 2.126 141 F HA -0.230 4.295 4.527 -0.003 0.000 0.299 141 F C 2.084 177.863 175.800 -0.034 0.000 1.096 141 F CA 0.153 58.227 58.000 0.124 0.000 1.255 141 F CB -0.057 39.121 39.000 0.296 0.000 0.997 141 F HN 0.237 nan 8.300 nan 0.000 0.479 142 I N -0.234 120.401 120.570 0.108 0.000 2.179 142 I HA -0.286 3.883 4.170 -0.003 0.000 0.242 142 I C 2.698 178.772 176.117 -0.072 0.000 1.088 142 I CA 1.429 62.730 61.300 0.002 0.000 1.357 142 I CB -1.652 36.361 38.000 0.021 0.000 1.051 142 I HN 0.106 nan 8.210 nan 0.000 0.409 143 S N 0.618 116.239 115.700 -0.131 0.000 2.370 143 S HA -0.253 4.215 4.470 -0.003 0.000 0.226 143 S C 2.301 176.733 174.600 -0.280 0.000 1.033 143 S CA 1.847 59.929 58.200 -0.197 0.000 1.011 143 S CB -0.103 62.956 63.200 -0.234 0.000 0.852 143 S HN 0.458 nan 8.310 nan 0.000 0.457 144 R N -1.362 118.867 120.500 -0.451 0.000 2.066 144 R HA 0.073 4.411 4.340 -0.003 0.000 0.224 144 R C 1.655 177.619 176.300 -0.560 0.000 1.122 144 R CA 1.312 57.059 56.100 -0.588 0.000 0.974 144 R CB -0.312 29.452 30.300 -0.893 0.000 0.871 144 R HN 0.584 nan 8.270 nan 0.000 0.435 145 Y N -0.271 120.003 120.300 -0.043 0.000 2.478 145 Y HA 0.363 4.911 4.550 -0.003 0.000 0.261 145 Y C 0.750 176.596 175.900 -0.091 0.000 1.127 145 Y CA 0.162 58.239 58.100 -0.040 0.000 1.288 145 Y CB 0.969 39.414 38.460 -0.025 0.000 1.084 145 Y HN 0.345 nan 8.280 nan 0.000 0.530 146 G N 0.844 109.635 108.800 -0.014 0.000 2.777 146 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.686 146 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.686 146 G C 0.156 175.013 174.900 -0.072 0.000 1.177 146 G CA -0.248 44.829 45.100 -0.039 0.000 0.775 146 G HN 0.211 nan 8.290 nan 0.000 0.613 147 I N 0.783 121.313 120.570 -0.066 0.000 2.208 147 I HA -0.095 4.074 4.170 -0.003 0.000 0.245 147 I C 2.359 178.414 176.117 -0.103 0.000 1.097 147 I CA 2.808 64.059 61.300 -0.080 0.000 1.363 147 I CB -0.264 37.708 38.000 -0.046 0.000 1.051 147 I HN 0.883 nan 8.210 nan 0.000 0.413 148 E N -0.091 120.064 120.200 -0.074 0.000 2.130 148 E HA -0.341 4.007 4.350 -0.003 0.000 0.196 148 E C 2.085 178.622 176.600 -0.105 0.000 0.998 148 E CA 1.660 58.021 56.400 -0.066 0.000 0.806 148 E CB -0.143 29.534 29.700 -0.038 0.000 0.738 148 E HN 0.607 nan 8.360 nan 0.000 0.459 149 E N -0.015 120.101 120.200 -0.140 0.000 2.046 149 E HA -0.111 4.237 4.350 -0.003 0.000 0.190 149 E C 1.972 178.232 176.600 -0.567 0.000 0.982 149 E CA 1.432 57.709 56.400 -0.205 0.000 0.800 149 E CB -0.148 29.490 29.700 -0.104 0.000 0.756 149 E HN 0.178 nan 8.360 nan 0.000 0.449 150 V N 1.126 120.603 119.914 -0.729 0.000 2.626 150 V HA -0.169 3.949 4.120 -0.003 0.000 0.252 150 V C 2.382 178.155 176.094 -0.534 0.000 1.067 150 V CA 1.264 62.879 62.300 -1.141 0.000 1.081 150 V CB -0.539 30.904 31.823 -0.633 0.000 0.686 150 V HN 0.287 nan 8.190 nan 0.000 0.468 151 L N -0.382 120.687 121.223 -0.255 0.000 2.456 151 L HA -0.091 4.248 4.340 -0.003 0.000 0.224 151 L C 2.137 179.008 176.870 0.002 0.000 1.148 151 L CA 1.235 56.038 54.840 -0.062 0.000 0.825 151 L CB -0.334 41.703 42.059 -0.037 0.000 0.937 151 L HN 0.331 nan 8.230 nan 0.000 0.450 152 K N -1.278 119.102 120.400 -0.034 0.000 2.404 152 K HA 0.008 4.326 4.320 -0.003 0.000 0.194 152 K C -0.569 176.237 176.600 0.344 0.000 1.023 152 K CA -0.083 56.292 56.287 0.147 0.000 1.094 152 K CB 0.270 32.863 32.500 0.156 0.000 0.841 152 K HN 0.076 nan 8.250 nan 0.000 0.523 153 W N 3.500 124.777 121.300 -0.038 0.000 2.335 153 W HA 0.270 4.928 4.660 -0.003 0.000 0.307 153 W C -2.409 173.868 176.519 -0.404 0.000 1.117 153 W CA -3.555 53.645 57.345 -0.243 0.000 1.228 153 W CB 0.199 29.429 29.460 -0.384 0.000 1.240 153 W HN -0.147 nan 8.180 nan 0.000 0.468 154 P HA 0.304 nan 4.420 nan 0.000 0.282 154 P C -1.055 175.937 177.300 -0.513 0.000 1.249 154 P CA -0.277 62.519 63.100 -0.506 0.000 0.806 154 P CB 1.117 32.037 31.700 -1.300 0.000 0.984 155 F N 0.541 120.607 119.950 0.193 0.000 2.366 155 F HA 0.320 4.845 4.527 -0.003 0.000 0.366 155 F C 1.026 177.116 175.800 0.483 0.000 1.096 155 F CA -0.605 57.576 58.000 0.302 0.000 1.060 155 F CB 1.318 40.473 39.000 0.259 0.000 1.282 155 F HN 0.264 nan 8.300 nan 0.000 0.450 156 E N 3.873 124.451 120.200 0.630 0.000 2.259 156 E HA 0.309 4.658 4.350 -0.003 0.000 0.281 156 E C -0.626 176.294 176.600 0.533 0.000 1.027 156 E CA -0.607 56.203 56.400 0.682 0.000 0.838 156 E CB 0.825 30.955 29.700 0.716 0.000 1.066 156 E HN 0.341 nan 8.360 nan 0.000 0.401 157 I N 6.729 127.610 120.570 0.518 0.000 2.291 157 I HA 0.084 4.252 4.170 -0.003 0.000 0.292 157 I C 0.595 177.098 176.117 0.643 0.000 1.064 157 I CA 0.149 61.788 61.300 0.564 0.000 1.269 157 I CB -1.141 37.209 38.000 0.583 0.000 1.418 157 I HN 0.813 nan 8.210 nan 0.000 0.485 158 W N 4.967 126.452 121.300 0.309 0.000 3.105 158 W HA -0.308 4.350 4.660 -0.003 0.000 0.316 158 W C -0.604 175.981 176.519 0.110 0.000 0.259 158 W CA 0.171 57.641 57.345 0.208 0.000 0.459 158 W CB -0.285 29.274 29.460 0.165 0.000 2.778 158 W HN 0.650 nan 8.180 nan 0.000 0.416 159 N N 0.818 119.516 118.700 -0.003 0.000 2.455 159 N HA 0.220 4.958 4.740 -0.003 0.000 0.285 159 N C -1.180 174.215 175.510 -0.193 0.000 1.080 159 N CA 0.307 53.284 53.050 -0.122 0.000 0.932 159 N CB 0.963 39.288 38.487 -0.270 0.000 1.610 159 N HN 0.323 nan 8.380 nan 0.000 0.493 160 E N 1.871 121.853 120.200 -0.363 0.000 2.160 160 E HA -0.181 4.167 4.350 -0.003 0.000 0.180 160 E C -1.692 174.712 176.600 -0.327 0.000 1.452 160 E CA 0.281 56.408 56.400 -0.455 0.000 0.683 160 E CB -0.461 28.951 29.700 -0.479 0.000 1.072 160 E HN 0.595 nan 8.360 nan 0.000 0.332 161 P HA -0.193 nan 4.420 nan 0.000 0.230 161 P C 0.841 177.780 177.300 -0.603 0.000 1.158 161 P CA 1.105 63.917 63.100 -0.481 0.000 0.769 161 P CB 0.065 31.052 31.700 -1.188 0.000 0.807 162 N N 0.194 118.188 118.700 -1.176 0.000 2.512 162 N HA -0.055 4.683 4.740 -0.003 0.000 0.183 162 N C 0.462 175.772 175.510 -0.334 0.000 1.073 162 N CA 0.416 52.763 53.050 -1.173 0.000 0.911 162 N CB -0.567 36.996 38.487 -1.539 0.000 0.964 162 N HN 0.246 nan 8.380 nan 0.000 0.447 163 L N 0.831 121.957 121.223 -0.162 0.000 2.307 163 L HA 0.293 4.632 4.340 -0.003 0.000 0.284 163 L C 1.236 178.160 176.870 0.090 0.000 1.023 163 L CA -0.651 54.197 54.840 0.012 0.000 0.810 163 L CB 1.849 43.968 42.059 0.101 0.000 1.231 163 L HN -0.174 nan 8.230 nan 0.000 0.423 164 K N 1.226 121.648 120.400 0.037 0.000 2.211 164 K HA -0.198 4.120 4.320 -0.003 0.000 0.204 164 K C 1.233 177.791 176.600 -0.070 0.000 1.047 164 K CA 1.378 57.665 56.287 -0.000 0.000 0.935 164 K CB 0.169 32.651 32.500 -0.030 0.000 0.728 164 K HN 0.521 nan 8.250 nan 0.000 0.452 165 E N -0.365 119.750 120.200 -0.141 0.000 2.152 165 E HA -0.099 4.249 4.350 -0.003 0.000 0.192 165 E C 1.130 177.379 176.600 -0.586 0.000 0.983 165 E CA 1.097 57.250 56.400 -0.412 0.000 0.818 165 E CB 0.003 29.353 29.700 -0.584 0.000 0.758 165 E HN 0.288 nan 8.360 nan 0.000 0.467 166 F N -1.993 117.885 119.950 -0.120 0.000 2.717 166 F HA 0.227 4.752 4.527 -0.003 0.000 0.295 166 F C 0.460 176.512 175.800 0.420 0.000 1.117 166 F CA -0.007 57.956 58.000 -0.062 0.000 1.361 166 F CB 0.665 39.639 39.000 -0.043 0.000 1.112 166 F HN -0.034 nan 8.300 nan 0.000 0.594 167 W N 2.302 123.744 121.300 0.238 0.000 3.036 167 W HA 0.250 4.908 4.660 -0.003 0.000 0.337 167 W C -0.841 175.706 176.519 0.047 0.000 1.055 167 W CA -1.387 56.081 57.345 0.206 0.000 1.248 167 W CB 0.870 30.422 29.460 0.153 0.000 1.335 167 W HN -0.375 nan 8.180 nan 0.000 0.446 168 K N 6.202 126.387 120.400 -0.359 0.000 2.441 168 K HA -0.174 4.144 4.320 -0.003 0.000 0.273 168 K C 0.467 176.811 176.600 -0.426 0.000 1.090 168 K CA 1.734 57.776 56.287 -0.409 0.000 1.158 168 K CB 0.273 32.495 32.500 -0.464 0.000 0.847 168 K HN 0.608 nan 8.250 nan 0.000 0.483 169 D N 2.461 122.737 120.400 -0.208 0.000 3.077 169 D HA -0.270 4.368 4.640 -0.003 0.000 0.217 169 D C 0.192 176.476 176.300 -0.027 0.000 1.162 169 D CA 1.185 55.112 54.000 -0.121 0.000 0.943 169 D CB -1.458 39.255 40.800 -0.146 0.000 1.122 169 D HN 0.906 nan 8.370 nan 0.000 0.413 170 A N 0.213 123.055 122.820 0.037 0.000 2.704 170 A HA -0.275 4.043 4.320 -0.003 0.000 0.299 170 A C 0.358 178.175 177.584 0.389 0.000 1.507 170 A CA 1.317 53.533 52.037 0.299 0.000 0.776 170 A CB -1.186 17.958 19.000 0.240 0.000 1.027 170 A HN 0.383 nan 8.150 nan 0.000 0.475 171 D N 0.156 120.667 120.400 0.185 0.000 2.357 171 D HA 0.116 4.754 4.640 -0.003 0.000 0.265 171 D C 1.173 177.657 176.300 0.307 0.000 1.334 171 D CA 0.603 54.688 54.000 0.140 0.000 0.984 171 D CB 0.233 40.993 40.800 -0.066 0.000 1.077 171 D HN 0.698 nan 8.370 nan 0.000 0.514 172 E N 3.664 123.844 120.200 -0.033 0.000 2.058 172 E HA -0.242 4.107 4.350 -0.003 0.000 0.194 172 E C 1.627 177.716 176.600 -0.852 0.000 0.997 172 E CA 0.955 56.867 56.400 -0.812 0.000 0.801 172 E CB 0.218 29.180 29.700 -1.230 0.000 0.746 172 E HN 0.398 nan 8.360 nan 0.000 0.450 173 K N 0.218 120.340 120.400 -0.463 0.000 2.097 173 K HA -0.181 4.138 4.320 -0.003 0.000 0.206 173 K C 2.026 178.534 176.600 -0.153 0.000 1.049 173 K CA 1.265 57.366 56.287 -0.310 0.000 0.933 173 K CB 0.066 32.492 32.500 -0.123 0.000 0.717 173 K HN 0.028 nan 8.250 nan 0.000 0.442 174 E N -0.055 120.155 120.200 0.016 0.000 2.150 174 E HA -0.181 4.168 4.350 -0.003 0.000 0.193 174 E C 1.708 178.500 176.600 0.321 0.000 0.985 174 E CA 0.829 57.340 56.400 0.185 0.000 0.814 174 E CB -0.268 29.570 29.700 0.230 0.000 0.752 174 E HN 0.407 nan 8.360 nan 0.000 0.466 175 Y N 0.163 120.570 120.300 0.178 0.000 2.242 175 Y HA -0.125 4.424 4.550 -0.003 0.000 0.291 175 Y C 1.977 177.855 175.900 -0.037 0.000 1.137 175 Y CA 1.328 59.323 58.100 -0.175 0.000 1.181 175 Y CB -0.598 37.704 38.460 -0.263 0.000 0.989 175 Y HN -0.020 nan 8.280 nan 0.000 0.527 176 F N 0.447 120.132 119.950 -0.441 0.000 2.216 176 F HA -0.193 4.332 4.527 -0.003 0.000 0.300 176 F C 2.534 177.983 175.800 -0.585 0.000 1.085 176 F CA 1.106 58.609 58.000 -0.829 0.000 1.326 176 F CB -0.160 37.963 39.000 -1.461 0.000 1.027 176 F HN 0.027 nan 8.300 nan 0.000 0.497 177 K N 0.883 121.189 120.400 -0.156 0.000 2.103 177 K HA -0.157 4.161 4.320 -0.003 0.000 0.204 177 K C 2.167 178.733 176.600 -0.056 0.000 1.052 177 K CA 0.624 56.862 56.287 -0.081 0.000 0.945 177 K CB -0.164 32.224 32.500 -0.186 0.000 0.722 177 K HN 0.214 nan 8.250 nan 0.000 0.443 178 L N 1.015 122.211 121.223 -0.046 0.000 2.046 178 L HA -0.192 4.146 4.340 -0.003 0.000 0.208 178 L C 2.058 178.915 176.870 -0.023 0.000 1.077 178 L CA 1.822 56.667 54.840 0.009 0.000 0.747 178 L CB -0.886 41.020 42.059 -0.255 0.000 0.896 178 L HN 0.288 nan 8.230 nan 0.000 0.432 179 Y N 1.073 121.210 120.300 -0.272 0.000 2.200 179 Y HA -0.262 4.287 4.550 -0.003 0.000 0.290 179 Y C 2.835 178.784 175.900 0.081 0.000 1.137 179 Y CA 2.317 60.345 58.100 -0.120 0.000 1.163 179 Y CB -0.134 38.212 38.460 -0.189 0.000 0.988 179 Y HN 0.127 nan 8.280 nan 0.000 0.518 180 K N -0.315 120.173 120.400 0.147 0.000 2.026 180 K HA -0.142 4.176 4.320 -0.003 0.000 0.208 180 K C 1.914 178.534 176.600 0.032 0.000 1.048 180 K CA 1.768 58.135 56.287 0.134 0.000 0.929 180 K CB -0.396 32.279 32.500 0.291 0.000 0.713 180 K HN 0.291 nan 8.250 nan 0.000 0.439 181 V N 1.220 121.189 119.914 0.092 0.000 2.295 181 V HA -0.252 3.866 4.120 -0.003 0.000 0.246 181 V C 2.284 178.471 176.094 0.155 0.000 1.049 181 V CA 2.350 64.746 62.300 0.159 0.000 1.024 181 V CB -0.768 31.251 31.823 0.327 0.000 0.648 181 V HN 0.466 nan 8.190 nan 0.000 0.447 182 T N 0.557 115.218 114.554 0.179 0.000 2.674 182 T HA -0.147 4.201 4.350 -0.003 0.000 0.265 182 T C 2.121 176.781 174.700 -0.066 0.000 1.039 182 T CA 1.654 63.843 62.100 0.149 0.000 1.150 182 T CB -0.580 68.448 68.868 0.267 0.000 0.864 182 T HN 0.557 nan 8.240 nan 0.000 0.427 183 A N 1.952 124.620 122.820 -0.253 0.000 1.917 183 A HA -0.203 4.115 4.320 -0.003 0.000 0.219 183 A C 2.257 179.751 177.584 -0.150 0.000 1.182 183 A CA 1.911 53.769 52.037 -0.298 0.000 0.633 183 A CB -0.557 18.101 19.000 -0.571 0.000 0.819 183 A HN 0.509 nan 8.150 nan 0.000 0.448 184 K N -0.428 119.912 120.400 -0.100 0.000 2.097 184 K HA -0.006 4.312 4.320 -0.003 0.000 0.206 184 K C 2.263 178.829 176.600 -0.057 0.000 1.049 184 K CA 1.036 57.291 56.287 -0.054 0.000 0.933 184 K CB -0.298 32.191 32.500 -0.018 0.000 0.717 184 K HN 0.458 nan 8.250 nan 0.000 0.442 185 A N 1.369 124.155 122.820 -0.058 0.000 1.898 185 A HA -0.114 4.204 4.320 -0.003 0.000 0.216 185 A C 2.106 179.598 177.584 -0.152 0.000 1.181 185 A CA 1.128 53.114 52.037 -0.085 0.000 0.620 185 A CB -0.491 18.460 19.000 -0.081 0.000 0.819 185 A HN 0.143 nan 8.150 nan 0.000 0.442 186 I N -0.406 120.058 120.570 -0.176 0.000 2.142 186 I HA -0.242 3.926 4.170 -0.003 0.000 0.240 186 I C 2.230 178.237 176.117 -0.184 0.000 1.078 186 I CA 1.299 62.451 61.300 -0.247 0.000 1.343 186 I CB -0.233 37.607 38.000 -0.267 0.000 1.046 186 I HN 0.156 nan 8.210 nan 0.000 0.405 187 K N 0.734 121.062 120.400 -0.120 0.000 2.209 187 K HA -0.178 4.141 4.320 -0.003 0.000 0.204 187 K C 1.843 178.404 176.600 -0.065 0.000 1.048 187 K CA 1.201 57.444 56.287 -0.074 0.000 0.940 187 K CB -0.329 32.145 32.500 -0.045 0.000 0.729 187 K HN 0.474 nan 8.250 nan 0.000 0.451 188 E N 0.346 120.502 120.200 -0.073 0.000 2.047 188 E HA -0.128 4.220 4.350 -0.003 0.000 0.191 188 E C 2.060 178.628 176.600 -0.053 0.000 0.987 188 E CA 1.019 57.390 56.400 -0.048 0.000 0.799 188 E CB 0.058 29.733 29.700 -0.042 0.000 0.752 188 E HN -0.039 nan 8.360 nan 0.000 0.449 189 V N 1.078 120.915 119.914 -0.127 0.000 2.233 189 V HA -0.170 3.948 4.120 -0.003 0.000 0.247 189 V C 1.151 177.200 176.094 -0.076 0.000 1.050 189 V CA 1.257 63.457 62.300 -0.168 0.000 1.010 189 V CB -0.258 31.331 31.823 -0.391 0.000 0.637 189 V HN 0.275 nan 8.190 nan 0.000 0.444 190 N N -1.002 117.641 118.700 -0.094 0.000 2.542 190 N HA 0.100 4.838 4.740 -0.003 0.000 0.288 190 N C 0.510 175.996 175.510 -0.040 0.000 1.115 190 N CA -0.187 52.833 53.050 -0.051 0.000 0.924 190 N CB 2.104 40.563 38.487 -0.047 0.000 1.526 190 N HN 0.308 nan 8.380 nan 0.000 0.515 191 E N 2.050 122.239 120.200 -0.018 0.000 2.187 191 E HA -0.192 4.156 4.350 -0.003 0.000 0.199 191 E C 0.244 176.851 176.600 0.012 0.000 1.004 191 E CA 1.488 57.886 56.400 -0.004 0.000 0.813 191 E CB 0.279 29.981 29.700 0.005 0.000 0.736 191 E HN 0.471 nan 8.360 nan 0.000 0.468 192 N N -0.028 118.682 118.700 0.016 0.000 2.280 192 N HA 0.073 4.811 4.740 -0.003 0.000 0.192 192 N C -0.229 175.317 175.510 0.060 0.000 1.109 192 N CA 0.117 53.190 53.050 0.039 0.000 0.855 192 N CB 0.282 38.790 38.487 0.035 0.000 0.974 192 N HN 0.144 nan 8.380 nan 0.000 0.482 193 L N 1.517 122.766 121.223 0.043 0.000 2.455 193 L HA 0.067 4.406 4.340 -0.003 0.000 0.272 193 L C 0.595 177.562 176.870 0.162 0.000 1.174 193 L CA 0.134 55.029 54.840 0.091 0.000 0.869 193 L CB 0.484 42.528 42.059 -0.025 0.000 1.130 193 L HN -0.211 nan 8.230 nan 0.000 0.474 194 K N 2.951 123.515 120.400 0.273 0.000 2.349 194 K HA 0.363 4.681 4.320 -0.003 0.000 0.288 194 K C -0.645 176.242 176.600 0.479 0.000 1.058 194 K CA -0.225 56.263 56.287 0.336 0.000 0.953 194 K CB 1.539 34.217 32.500 0.297 0.000 0.997 194 K HN 0.269 nan 8.250 nan 0.000 0.477 195 V N 2.057 122.194 119.914 0.372 0.000 2.823 195 V HA 0.856 4.974 4.120 -0.003 0.000 0.312 195 V C -0.317 175.800 176.094 0.038 0.000 1.072 195 V CA -0.155 62.335 62.300 0.318 0.000 0.937 195 V CB 1.908 33.823 31.823 0.152 0.000 1.013 195 V HN 0.948 nan 8.190 nan 0.000 0.430 196 G N 2.547 111.214 108.800 -0.222 0.000 2.550 196 G HA2 0.815 4.773 3.960 -0.003 0.000 0.293 196 G HA3 0.815 4.773 3.960 -0.003 0.000 0.293 196 G C -0.544 174.239 174.900 -0.194 0.000 1.402 196 G CA 0.073 44.712 45.100 -0.767 0.000 0.784 196 G HN 1.497 nan 8.290 nan 0.000 0.482 197 G N -1.523 107.111 108.800 -0.276 0.000 2.494 197 G HA2 0.695 4.654 3.960 -0.003 0.000 0.308 197 G HA3 0.695 4.654 3.960 -0.003 0.000 0.308 197 G C -2.623 171.939 174.900 -0.564 0.000 1.263 197 G CA 0.203 45.114 45.100 -0.314 0.000 0.840 197 G HN 0.551 nan 8.290 nan 0.000 0.479 198 P HA 0.243 nan 4.420 nan 0.000 0.261 198 P C 0.897 178.003 177.300 -0.323 0.000 1.268 198 P CA 1.240 64.036 63.100 -0.507 0.000 0.833 198 P CB 0.841 32.308 31.700 -0.389 0.000 1.231 199 A N 0.710 123.405 122.820 -0.209 0.000 2.799 199 A HA -0.197 4.121 4.320 -0.003 0.000 0.287 199 A C 0.589 177.800 177.584 -0.622 0.000 1.484 199 A CA 0.790 52.658 52.037 -0.282 0.000 0.813 199 A CB -2.769 16.191 19.000 -0.067 0.000 1.009 199 A HN 0.549 nan 8.150 nan 0.000 0.545 200 I N -2.348 117.900 120.570 -0.538 0.000 2.764 200 I HA 0.595 4.763 4.170 -0.003 0.000 0.294 200 I C 1.049 176.872 176.117 -0.490 0.000 1.045 200 I CA -0.759 60.196 61.300 -0.576 0.000 1.340 200 I CB 0.955 38.644 38.000 -0.519 0.000 1.436 200 I HN 0.720 nan 8.210 nan 0.000 0.567 201 C N 2.891 121.980 119.300 -0.351 0.000 2.345 201 C HA 0.831 5.290 4.460 -0.003 0.000 0.369 201 C C 1.173 176.142 174.990 -0.035 0.000 1.273 201 C CA -0.191 58.766 59.018 -0.102 0.000 2.310 201 C CB 0.171 27.898 27.740 -0.021 0.000 2.219 201 C HN 1.080 nan 8.230 nan 0.000 0.587 202 G N -0.608 108.250 108.800 0.096 0.000 2.716 202 G HA2 0.451 4.409 3.960 -0.003 0.000 0.251 202 G HA3 0.451 4.409 3.960 -0.003 0.000 0.251 202 G C 1.165 176.118 174.900 0.088 0.000 1.224 202 G CA 0.304 45.475 45.100 0.118 0.000 0.891 202 G HN 2.559 nan 8.290 nan 0.000 0.561 203 G N -1.495 107.375 108.800 0.118 0.000 2.225 203 G HA2 0.142 4.100 3.960 -0.003 0.000 0.254 203 G HA3 0.142 4.100 3.960 -0.003 0.000 0.254 203 G C 0.647 175.643 174.900 0.159 0.000 0.988 203 G CA 1.033 46.211 45.100 0.131 0.000 0.625 203 G HN 2.091 nan 8.290 nan 0.000 0.527 204 A N 0.141 123.025 122.820 0.106 0.000 3.176 204 A HA 0.595 4.913 4.320 -0.003 0.000 0.265 204 A C 0.834 178.426 177.584 0.013 0.000 0.936 204 A CA 0.779 52.889 52.037 0.121 0.000 1.033 204 A CB 0.295 19.269 19.000 -0.043 0.000 1.158 204 A HN 0.101 nan 8.150 nan 0.000 0.485 205 D N -0.118 120.366 120.400 0.139 0.000 2.351 205 D HA -0.170 4.468 4.640 -0.003 0.000 0.216 205 D C 1.426 177.832 176.300 0.177 0.000 0.968 205 D CA 1.626 55.702 54.000 0.128 0.000 0.899 205 D CB -0.057 40.825 40.800 0.137 0.000 0.907 205 D HN 0.893 nan 8.370 nan 0.000 0.514 206 Y N -1.987 118.446 120.300 0.222 0.000 2.421 206 Y HA -0.084 4.464 4.550 -0.003 0.000 0.292 206 Y C 1.946 178.010 175.900 0.275 0.000 1.136 206 Y CA 0.137 58.360 58.100 0.205 0.000 1.255 206 Y CB -0.986 37.573 38.460 0.165 0.000 0.991 206 Y HN -0.120 nan 8.280 nan 0.000 0.552 207 W N 1.143 122.114 121.300 -0.549 0.000 2.374 207 W HA -0.098 4.560 4.660 -0.003 0.000 0.288 207 W C 2.105 178.681 176.519 0.096 0.000 1.218 207 W CA 1.772 58.953 57.345 -0.275 0.000 1.245 207 W CB -0.242 28.991 29.460 -0.379 0.000 1.126 207 W HN 0.132 nan 8.180 nan 0.000 0.545 208 I N -0.526 120.211 120.570 0.278 0.000 2.286 208 I HA -0.233 3.935 4.170 -0.003 0.000 0.245 208 I C 2.098 178.370 176.117 0.259 0.000 1.104 208 I CA 1.330 62.789 61.300 0.266 0.000 1.397 208 I CB -0.469 37.614 38.000 0.139 0.000 1.072 208 I HN -0.036 nan 8.210 nan 0.000 0.417 209 E N 0.766 121.098 120.200 0.220 0.000 2.106 209 E HA -0.216 4.132 4.350 -0.003 0.000 0.192 209 E C 1.612 178.329 176.600 0.194 0.000 0.984 209 E CA 1.209 57.721 56.400 0.186 0.000 0.806 209 E CB 0.016 29.825 29.700 0.182 0.000 0.750 209 E HN 0.454 nan 8.360 nan 0.000 0.458 210 D N 0.220 120.773 120.400 0.256 0.000 2.144 210 D HA -0.139 4.499 4.640 -0.003 0.000 0.200 210 D C 1.667 178.014 176.300 0.079 0.000 0.978 210 D CA 0.587 54.741 54.000 0.258 0.000 0.833 210 D CB -0.310 40.731 40.800 0.401 0.000 0.961 210 D HN 0.085 nan 8.370 nan 0.000 0.470 211 F N 1.942 121.862 119.950 -0.051 0.000 2.046 211 F HA -0.161 4.364 4.527 -0.003 0.000 0.297 211 F C 2.141 177.798 175.800 -0.237 0.000 1.123 211 F CA 1.291 59.065 58.000 -0.377 0.000 1.199 211 F CB -0.652 38.319 39.000 -0.049 0.000 0.972 211 F HN -0.143 nan 8.300 nan 0.000 0.474 212 L N 0.406 121.491 121.223 -0.230 0.000 2.127 212 L HA -0.264 4.074 4.340 -0.003 0.000 0.211 212 L C 2.487 179.396 176.870 0.066 0.000 1.089 212 L CA 1.697 56.436 54.840 -0.169 0.000 0.757 212 L CB -1.027 41.113 42.059 0.136 0.000 0.899 212 L HN 0.394 nan 8.230 nan 0.000 0.434 213 N N 0.373 119.103 118.700 0.049 0.000 2.270 213 N HA -0.221 4.517 4.740 -0.003 0.000 0.181 213 N C 2.003 177.524 175.510 0.019 0.000 1.016 213 N CA 1.030 54.139 53.050 0.099 0.000 0.870 213 N CB 0.051 38.601 38.487 0.105 0.000 0.979 213 N HN 0.284 nan 8.380 nan 0.000 0.431 214 F N 1.820 121.601 119.950 -0.282 0.000 2.113 214 F HA -0.075 4.450 4.527 -0.003 0.000 0.297 214 F C 2.510 178.139 175.800 -0.286 0.000 1.103 214 F CA 1.140 58.927 58.000 -0.356 0.000 1.248 214 F CB -0.688 37.856 39.000 -0.761 0.000 0.999 214 F HN 0.065 nan 8.300 nan 0.000 0.475 215 C N 0.068 119.169 119.300 -0.333 0.000 2.413 215 C HA -0.190 4.268 4.460 -0.003 0.000 0.277 215 C C 2.522 177.454 174.990 -0.097 0.000 1.265 215 C CA 1.171 60.010 59.018 -0.299 0.000 1.752 215 C CB -1.812 25.658 27.740 -0.449 0.000 1.998 215 C HN 0.704 nan 8.230 nan 0.000 0.489 216 Y N 2.264 122.528 120.300 -0.060 0.000 2.109 216 Y HA -0.143 4.405 4.550 -0.003 0.000 0.285 216 Y C 2.317 178.041 175.900 -0.292 0.000 1.131 216 Y CA 1.856 59.838 58.100 -0.197 0.000 1.121 216 Y CB -0.883 37.296 38.460 -0.467 0.000 0.987 216 Y HN 0.409 nan 8.280 nan 0.000 0.495 217 E N -0.166 119.590 120.200 -0.740 0.000 2.077 217 E HA -0.188 4.160 4.350 -0.003 0.000 0.193 217 E C 1.751 178.001 176.600 -0.583 0.000 0.989 217 E CA 1.384 57.324 56.400 -0.767 0.000 0.800 217 E CB -0.118 29.308 29.700 -0.457 0.000 0.746 217 E HN 0.559 nan 8.360 nan 0.000 0.452 218 E N 0.556 120.388 120.200 -0.614 0.000 2.489 218 E HA -0.047 4.302 4.350 -0.003 0.000 0.193 218 E C 0.110 176.499 176.600 -0.351 0.000 1.057 218 E CA -0.018 56.065 56.400 -0.528 0.000 0.866 218 E CB -0.046 29.157 29.700 -0.828 0.000 0.916 218 E HN 0.149 nan 8.360 nan 0.000 0.500 219 N N 0.425 118.940 118.700 -0.307 0.000 2.735 219 N HA -0.171 4.568 4.740 -0.003 0.000 0.248 219 N C -1.122 174.335 175.510 -0.089 0.000 1.083 219 N CA 0.346 53.310 53.050 -0.144 0.000 0.703 219 N CB -1.440 36.975 38.487 -0.119 0.000 1.005 219 N HN -0.097 nan 8.380 nan 0.000 0.550 220 V N 1.827 121.665 119.914 -0.126 0.000 2.408 220 V HA 0.321 4.439 4.120 -0.003 0.000 0.267 220 V C -1.465 174.639 176.094 0.016 0.000 1.047 220 V CA -1.110 61.169 62.300 -0.036 0.000 0.937 220 V CB 1.028 32.871 31.823 0.034 0.000 0.999 220 V HN 0.195 nan 8.190 nan 0.000 0.472 221 P HA 0.166 nan 4.420 nan 0.000 0.267 221 P C -0.817 176.504 177.300 0.034 0.000 1.200 221 P CA 0.246 63.365 63.100 0.030 0.000 0.772 221 P CB 1.069 32.790 31.700 0.035 0.000 0.855 222 V N -1.183 118.682 119.914 -0.081 0.000 2.777 222 V HA 0.404 4.522 4.120 -0.003 0.000 0.306 222 V C -0.143 175.903 176.094 -0.080 0.000 1.112 222 V CA -0.582 61.650 62.300 -0.114 0.000 0.917 222 V CB 2.252 33.793 31.823 -0.470 0.000 1.018 222 V HN 0.390 nan 8.190 nan 0.000 0.426 223 D N 2.680 123.104 120.400 0.040 0.000 2.454 223 D HA 0.288 4.926 4.640 -0.003 0.000 0.214 223 D C -0.016 176.479 176.300 0.325 0.000 1.088 223 D CA 1.197 55.305 54.000 0.180 0.000 0.855 223 D CB 1.405 42.375 40.800 0.285 0.000 1.025 223 D HN 0.691 nan 8.370 nan 0.000 0.502 224 F N -1.199 118.866 119.950 0.191 0.000 2.741 224 F HA 0.529 5.054 4.527 -0.003 0.000 0.311 224 F C -1.846 174.133 175.800 0.298 0.000 1.149 224 F CA -1.347 56.796 58.000 0.238 0.000 0.930 224 F CB 0.966 40.176 39.000 0.351 0.000 1.312 224 F HN -0.384 nan 8.300 nan 0.000 0.450 225 V N 2.422 122.636 119.914 0.501 0.000 2.459 225 V HA 0.730 4.848 4.120 -0.003 0.000 0.295 225 V C -0.385 176.110 176.094 0.669 0.000 1.029 225 V CA -0.189 62.353 62.300 0.402 0.000 0.874 225 V CB 1.545 33.494 31.823 0.210 0.000 0.985 225 V HN 1.059 nan 8.190 nan 0.000 0.438 226 S N 5.812 121.811 115.700 0.499 0.000 2.607 226 S HA 0.928 5.397 4.470 -0.003 0.000 0.303 226 S C -0.674 174.099 174.600 0.288 0.000 1.086 226 S CA -0.856 57.640 58.200 0.494 0.000 0.995 226 S CB 2.821 66.344 63.200 0.539 0.000 1.084 226 S HN 0.735 nan 8.310 nan 0.000 0.507 227 R N 0.321 120.960 120.500 0.232 0.000 2.728 227 R HA 0.318 4.656 4.340 -0.003 0.000 0.274 227 R C -1.796 174.608 176.300 0.173 0.000 1.032 227 R CA -0.422 55.740 56.100 0.103 0.000 0.866 227 R CB 1.403 31.893 30.300 0.317 0.000 1.263 227 R HN 1.062 nan 8.270 nan 0.000 0.475 228 H N -0.380 118.709 119.070 0.030 0.000 2.710 228 H HA 0.827 5.381 4.556 -0.003 0.000 0.361 228 H C -0.764 174.621 175.328 0.094 0.000 1.175 228 H CA -1.082 54.973 56.048 0.012 0.000 1.206 228 H CB 2.290 32.056 29.762 0.008 0.000 1.750 228 H HN 0.658 nan 8.280 nan 0.000 0.553 229 A N 1.767 124.680 122.820 0.156 0.000 2.488 229 A HA 0.565 4.883 4.320 -0.003 0.000 0.295 229 A C -2.041 175.480 177.584 -0.105 0.000 1.045 229 A CA -0.483 51.665 52.037 0.185 0.000 0.703 229 A CB 0.823 20.053 19.000 0.384 0.000 1.271 229 A HN 0.595 nan 8.150 nan 0.000 0.400 230 Y N -0.105 120.373 120.300 0.296 0.000 2.609 230 Y HA 0.595 5.143 4.550 -0.003 0.000 0.342 230 Y C 1.147 177.194 175.900 0.245 0.000 1.058 230 Y CA 0.102 58.379 58.100 0.295 0.000 1.055 230 Y CB 2.817 41.506 38.460 0.381 0.000 1.292 230 Y HN 0.699 nan 8.280 nan 0.000 0.476 231 T N -3.272 111.489 114.554 0.345 0.000 3.231 231 T HA 0.195 4.543 4.350 -0.003 0.000 0.292 231 T C -0.242 174.512 174.700 0.091 0.000 1.001 231 T CA -0.330 61.893 62.100 0.206 0.000 0.920 231 T CB -0.455 68.539 68.868 0.209 0.000 1.140 231 T HN 0.461 nan 8.240 nan 0.000 0.525 232 S N 0.897 116.646 115.700 0.081 0.000 2.525 232 S HA 0.581 5.049 4.470 -0.003 0.000 0.278 232 S C -0.068 174.502 174.600 -0.050 0.000 1.234 232 S CA -0.882 57.263 58.200 -0.091 0.000 1.058 232 S CB 1.708 64.720 63.200 -0.313 0.000 0.983 232 S HN 0.339 nan 8.310 nan 0.000 0.495 233 K N 0.864 121.230 120.400 -0.056 0.000 2.179 233 K HA 0.241 4.559 4.320 -0.003 0.000 0.238 233 K C 0.266 176.869 176.600 0.004 0.000 1.033 233 K CA -0.736 55.557 56.287 0.010 0.000 0.926 233 K CB 0.259 32.758 32.500 -0.002 0.000 1.151 233 K HN 0.698 nan 8.250 nan 0.000 0.492 234 Q N 0.154 119.992 119.800 0.064 0.000 2.349 234 Q HA 0.167 4.505 4.340 -0.003 0.000 0.287 234 Q C -0.447 175.560 176.000 0.013 0.000 1.044 234 Q CA 0.611 56.462 55.803 0.080 0.000 0.918 234 Q CB 0.742 29.532 28.738 0.087 0.000 1.242 234 Q HN 0.662 nan 8.270 nan 0.000 0.405 235 G N 2.041 110.839 108.800 -0.003 0.000 2.818 235 G HA2 0.509 4.468 3.960 -0.003 0.000 0.286 235 G HA3 0.509 4.468 3.960 -0.003 0.000 0.286 235 G C -1.532 173.350 174.900 -0.030 0.000 1.364 235 G CA -0.663 44.400 45.100 -0.061 0.000 0.938 235 G HN 0.542 nan 8.290 nan 0.000 0.490 236 E N -0.228 119.948 120.200 -0.040 0.000 2.331 236 E HA 0.435 4.784 4.350 -0.003 0.000 0.243 236 E C -1.233 175.378 176.600 0.019 0.000 0.925 236 E CA -0.756 55.659 56.400 0.025 0.000 0.760 236 E CB 0.197 29.924 29.700 0.046 0.000 1.254 236 E HN 0.365 nan 8.360 nan 0.000 0.419 237 Y N 1.867 122.187 120.300 0.032 0.000 2.788 237 Y HA 0.056 4.604 4.550 -0.003 0.000 0.341 237 Y C 1.401 177.313 175.900 0.020 0.000 1.258 237 Y CA 1.183 59.295 58.100 0.021 0.000 1.503 237 Y CB 0.671 39.150 38.460 0.032 0.000 1.325 237 Y HN 0.482 nan 8.280 nan 0.000 0.614 238 T N -0.073 114.611 114.554 0.217 0.000 2.930 238 T HA 0.341 4.690 4.350 -0.003 0.000 0.290 238 T C -2.002 172.780 174.700 0.138 0.000 1.052 238 T CA -2.173 59.998 62.100 0.119 0.000 1.017 238 T CB 1.909 70.819 68.868 0.069 0.000 1.137 238 T HN 0.383 nan 8.240 nan 0.000 0.511 239 P HA -0.073 nan 4.420 nan 0.000 0.226 239 P C 0.676 178.136 177.300 0.267 0.000 1.146 239 P CA 1.234 64.384 63.100 0.083 0.000 0.773 239 P CB -0.067 31.626 31.700 -0.011 0.000 0.772 240 H N -1.649 117.470 119.070 0.083 0.000 2.501 240 H HA 0.184 4.738 4.556 -0.003 0.000 0.281 240 H C 0.816 176.186 175.328 0.070 0.000 0.988 240 H CA -0.316 55.775 56.048 0.072 0.000 1.232 240 H CB 0.513 30.317 29.762 0.070 0.000 1.455 240 H HN 0.043 nan 8.280 nan 0.000 0.501 241 L N -1.290 120.035 121.223 0.170 0.000 2.656 241 L HA 0.567 4.906 4.340 -0.003 0.000 0.252 241 L C -1.277 175.490 176.870 -0.171 0.000 1.129 241 L CA -1.221 53.611 54.840 -0.013 0.000 0.962 241 L CB 1.964 43.937 42.059 -0.143 0.000 1.565 241 L HN -0.039 nan 8.230 nan 0.000 0.389 242 I N -0.836 119.450 120.570 -0.473 0.000 2.841 242 I HA 0.581 4.749 4.170 -0.003 0.000 0.298 242 I C -1.843 173.856 176.117 -0.696 0.000 1.304 242 I CA -0.354 60.589 61.300 -0.595 0.000 1.019 242 I CB 2.369 39.797 38.000 -0.953 0.000 1.282 242 I HN 0.651 nan 8.210 nan 0.000 0.432 243 Y N 4.922 125.090 120.300 -0.220 0.000 2.429 243 Y HA 0.645 5.193 4.550 -0.003 0.000 0.342 243 Y C -0.548 175.225 175.900 -0.211 0.000 1.004 243 Y CA -0.495 57.488 58.100 -0.195 0.000 1.075 243 Y CB 2.093 40.475 38.460 -0.130 0.000 1.214 243 Y HN 0.419 nan 8.280 nan 0.000 0.455 244 Q N 1.268 121.028 119.800 -0.066 0.000 2.340 244 Q HA 0.234 4.573 4.340 -0.003 0.000 0.276 244 Q C -1.501 174.426 176.000 -0.122 0.000 1.048 244 Q CA -1.088 54.641 55.803 -0.124 0.000 0.832 244 Q CB 3.070 31.669 28.738 -0.230 0.000 1.373 244 Q HN 0.633 nan 8.270 nan 0.000 0.409 245 E N 1.957 122.095 120.200 -0.102 0.000 2.338 245 E HA 0.236 4.584 4.350 -0.003 0.000 0.272 245 E C -0.967 175.565 176.600 -0.114 0.000 1.029 245 E CA -0.472 55.862 56.400 -0.109 0.000 0.872 245 E CB 0.637 30.290 29.700 -0.079 0.000 1.015 245 E HN 0.350 nan 8.360 nan 0.000 0.417 246 I N 5.053 125.549 120.570 -0.123 0.000 2.331 246 I HA 0.175 4.343 4.170 -0.003 0.000 0.292 246 I C 0.405 176.492 176.117 -0.049 0.000 0.998 246 I CA 0.031 61.270 61.300 -0.103 0.000 1.267 246 I CB 1.169 39.089 38.000 -0.134 0.000 1.386 246 I HN 0.619 nan 8.210 nan 0.000 0.476 247 M N 7.713 127.268 119.600 -0.075 0.000 2.227 247 M HA 0.353 4.831 4.480 -0.003 0.000 0.316 247 M C -2.052 174.283 176.300 0.058 0.000 1.144 247 M CA -1.506 53.687 55.300 -0.179 0.000 1.121 247 M CB 0.386 32.648 32.600 -0.562 0.000 1.440 247 M HN 0.304 nan 8.290 nan 0.000 0.473 248 P HA -0.015 nan 4.420 nan 0.000 0.268 248 P C 0.096 177.564 177.300 0.280 0.000 1.208 248 P CA 0.086 63.349 63.100 0.273 0.000 0.777 248 P CB 0.312 32.157 31.700 0.242 0.000 0.875 249 S N 0.555 116.282 115.700 0.045 0.000 2.440 249 S HA -0.181 4.287 4.470 -0.003 0.000 0.238 249 S C 1.609 176.190 174.600 -0.032 0.000 1.010 249 S CA 0.831 58.932 58.200 -0.165 0.000 0.972 249 S CB -0.765 62.105 63.200 -0.550 0.000 0.774 249 S HN 0.412 nan 8.310 nan 0.000 0.501 250 E N 1.014 121.258 120.200 0.074 0.000 2.097 250 E HA -0.142 4.206 4.350 -0.003 0.000 0.196 250 E C 1.676 178.311 176.600 0.058 0.000 1.000 250 E CA 1.321 57.756 56.400 0.058 0.000 0.804 250 E CB -0.460 29.307 29.700 0.112 0.000 0.740 250 E HN 0.730 nan 8.360 nan 0.000 0.454 251 Y N 0.351 120.636 120.300 -0.025 0.000 2.128 251 Y HA -0.198 4.350 4.550 -0.003 0.000 0.284 251 Y C 2.549 178.398 175.900 -0.085 0.000 1.154 251 Y CA 1.610 59.701 58.100 -0.014 0.000 1.149 251 Y CB -0.622 37.872 38.460 0.056 0.000 0.976 251 Y HN 0.077 nan 8.280 nan 0.000 0.505 252 M N -0.713 118.902 119.600 0.025 0.000 2.099 252 M HA -0.183 4.296 4.480 -0.003 0.000 0.262 252 M C 1.904 177.811 176.300 -0.654 0.000 1.067 252 M CA 1.663 56.806 55.300 -0.261 0.000 1.124 252 M CB -0.311 32.114 32.600 -0.292 0.000 1.353 252 M HN 0.275 nan 8.290 nan 0.000 0.410 253 L N 0.418 121.308 121.223 -0.555 0.000 2.131 253 L HA -0.243 4.095 4.340 -0.003 0.000 0.210 253 L C 1.820 178.401 176.870 -0.480 0.000 1.092 253 L CA 0.886 55.377 54.840 -0.582 0.000 0.759 253 L CB -0.996 40.879 42.059 -0.307 0.000 0.903 253 L HN 0.409 nan 8.230 nan 0.000 0.435 254 N N -0.176 118.339 118.700 -0.308 0.000 2.409 254 N HA -0.109 4.629 4.740 -0.003 0.000 0.179 254 N C 1.613 177.046 175.510 -0.128 0.000 1.032 254 N CA 0.761 53.670 53.050 -0.235 0.000 0.898 254 N CB 0.086 38.460 38.487 -0.188 0.000 0.971 254 N HN 0.468 nan 8.380 nan 0.000 0.441 255 E N -0.263 119.897 120.200 -0.066 0.000 2.112 255 E HA -0.023 4.326 4.350 -0.003 0.000 0.190 255 E C 1.163 177.932 176.600 0.281 0.000 0.979 255 E CA 0.483 56.947 56.400 0.107 0.000 0.814 255 E CB -0.066 29.735 29.700 0.168 0.000 0.762 255 E HN 0.181 nan 8.360 nan 0.000 0.460 256 F N 1.750 121.681 119.950 -0.031 0.000 2.134 256 F HA -0.142 4.383 4.527 -0.003 0.000 0.299 256 F C 2.362 178.206 175.800 0.073 0.000 1.097 256 F CA 1.092 59.125 58.000 0.055 0.000 1.264 256 F CB -0.692 38.253 39.000 -0.092 0.000 1.001 256 F HN -0.079 nan 8.300 nan 0.000 0.479 257 K N -0.290 120.094 120.400 -0.025 0.000 2.057 257 K HA -0.121 4.197 4.320 -0.003 0.000 0.206 257 K C 2.017 178.623 176.600 0.009 0.000 1.050 257 K CA 1.751 57.954 56.287 -0.141 0.000 0.935 257 K CB -0.221 32.002 32.500 -0.461 0.000 0.715 257 K HN 0.104 nan 8.250 nan 0.000 0.439 258 T N 0.338 114.901 114.554 0.016 0.000 2.746 258 T HA -0.104 4.245 4.350 -0.003 0.000 0.267 258 T C 1.765 176.490 174.700 0.040 0.000 1.039 258 T CA 1.468 63.587 62.100 0.030 0.000 1.142 258 T CB -0.087 68.803 68.868 0.036 0.000 0.866 258 T HN -0.008 nan 8.240 nan 0.000 0.444 259 V N 1.362 121.319 119.914 0.071 0.000 2.453 259 V HA -0.093 4.025 4.120 -0.003 0.000 0.247 259 V C 2.539 178.508 176.094 -0.207 0.000 1.048 259 V CA 1.528 63.796 62.300 -0.054 0.000 1.049 259 V CB -0.587 31.219 31.823 -0.029 0.000 0.672 259 V HN 0.278 nan 8.190 nan 0.000 0.457 260 R N 0.912 121.380 120.500 -0.054 0.000 2.091 260 R HA -0.226 4.112 4.340 -0.003 0.000 0.238 260 R C 2.206 178.493 176.300 -0.021 0.000 1.136 260 R CA 2.053 58.139 56.100 -0.023 0.000 0.959 260 R CB -0.402 30.023 30.300 0.208 0.000 0.856 260 R HN 0.489 nan 8.270 nan 0.000 0.437 261 E N 0.241 120.448 120.200 0.012 0.000 2.150 261 E HA -0.108 4.240 4.350 -0.003 0.000 0.193 261 E C 1.753 178.350 176.600 -0.004 0.000 0.985 261 E CA 1.482 57.891 56.400 0.015 0.000 0.814 261 E CB -0.160 29.555 29.700 0.025 0.000 0.752 261 E HN 0.504 nan 8.360 nan 0.000 0.466 262 I N 0.058 120.615 120.570 -0.022 0.000 2.226 262 I HA -0.247 3.921 4.170 -0.003 0.000 0.245 262 I C 2.116 178.221 176.117 -0.019 0.000 1.100 262 I CA 0.960 62.253 61.300 -0.011 0.000 1.374 262 I CB -0.248 37.746 38.000 -0.010 0.000 1.057 262 I HN 0.153 nan 8.210 nan 0.000 0.413 263 I N 0.611 121.140 120.570 -0.069 0.000 2.315 263 I HA -0.255 3.914 4.170 -0.003 0.000 0.248 263 I C 2.393 178.509 176.117 -0.003 0.000 1.117 263 I CA 1.283 62.558 61.300 -0.043 0.000 1.404 263 I CB -0.365 37.569 38.000 -0.111 0.000 1.071 263 I HN 0.149 nan 8.210 nan 0.000 0.419 264 K N 0.653 121.047 120.400 -0.009 0.000 2.211 264 K HA -0.079 4.239 4.320 -0.003 0.000 0.203 264 K C 1.081 177.674 176.600 -0.012 0.000 1.050 264 K CA 0.913 57.199 56.287 -0.002 0.000 0.945 264 K CB -0.200 32.304 32.500 0.007 0.000 0.732 264 K HN 0.362 nan 8.250 nan 0.000 0.451 265 N N 1.194 119.889 118.700 -0.007 0.000 2.314 265 N HA -0.027 4.712 4.740 -0.003 0.000 0.200 265 N C 0.489 175.990 175.510 -0.016 0.000 1.135 265 N CA 0.126 53.168 53.050 -0.013 0.000 0.835 265 N CB 0.505 38.992 38.487 -0.000 0.000 0.989 265 N HN 0.156 nan 8.380 nan 0.000 0.478 266 S N -0.805 114.890 115.700 -0.007 0.000 2.690 266 S HA 0.144 4.613 4.470 -0.003 0.000 0.285 266 S C 1.138 175.688 174.600 -0.082 0.000 1.135 266 S CA -0.305 57.900 58.200 0.008 0.000 1.020 266 S CB 1.161 64.421 63.200 0.099 0.000 1.159 266 S HN 0.234 nan 8.310 nan 0.000 0.534 267 H N -0.399 118.514 119.070 -0.260 0.000 2.495 267 H HA 0.251 4.805 4.556 -0.003 0.000 0.287 267 H C -0.467 174.413 175.328 -0.746 0.000 1.033 267 H CA 0.947 56.615 56.048 -0.633 0.000 1.307 267 H CB -0.158 29.004 29.762 -1.000 0.000 1.401 267 H HN 0.497 nan 8.280 nan 0.000 0.555 268 F N 1.340 121.226 119.950 -0.108 0.000 2.389 268 F HA 0.301 4.826 4.527 -0.003 0.000 0.327 268 F C -1.655 174.101 175.800 -0.073 0.000 1.204 268 F CA -2.566 55.371 58.000 -0.104 0.000 1.209 268 F CB 1.235 40.220 39.000 -0.025 0.000 1.460 268 F HN 0.079 nan 8.300 nan 0.000 0.537 269 P HA -0.166 nan 4.420 nan 0.000 0.221 269 P C 0.376 177.694 177.300 0.031 0.000 1.145 269 P CA 1.404 64.506 63.100 0.003 0.000 0.795 269 P CB 0.401 32.072 31.700 -0.048 0.000 0.775 270 N N -0.576 118.153 118.700 0.049 0.000 2.230 270 N HA 0.125 4.863 4.740 -0.003 0.000 0.202 270 N C 0.661 176.218 175.510 0.079 0.000 1.119 270 N CA -0.114 52.968 53.050 0.053 0.000 0.851 270 N CB 0.163 38.672 38.487 0.038 0.000 0.990 270 N HN 0.252 nan 8.380 nan 0.000 0.497 271 L N 3.084 124.373 121.223 0.109 0.000 2.525 271 L HA 0.088 4.426 4.340 -0.003 0.000 0.278 271 L C -1.670 175.268 176.870 0.114 0.000 1.218 271 L CA -0.950 53.965 54.840 0.124 0.000 0.878 271 L CB 0.088 42.222 42.059 0.124 0.000 1.127 271 L HN -0.124 nan 8.230 nan 0.000 0.492 272 P HA 0.050 nan 4.420 nan 0.000 0.274 272 P C -1.030 176.318 177.300 0.079 0.000 1.231 272 P CA -0.211 62.902 63.100 0.022 0.000 0.790 272 P CB 0.810 32.475 31.700 -0.057 0.000 0.951 273 F N 3.143 122.950 119.950 -0.238 0.000 2.449 273 F HA 0.362 4.887 4.527 -0.003 0.000 0.342 273 F C -0.517 175.106 175.800 -0.294 0.000 1.127 273 F CA -1.099 56.809 58.000 -0.154 0.000 0.975 273 F CB 0.614 39.572 39.000 -0.070 0.000 1.146 273 F HN 0.290 nan 8.300 nan 0.000 0.444 274 H N 7.177 126.306 119.070 0.099 0.000 2.505 274 H HA 0.396 4.951 4.556 -0.003 0.000 0.338 274 H C -0.310 174.824 175.328 -0.324 0.000 1.057 274 H CA -0.693 55.265 56.048 -0.150 0.000 1.202 274 H CB 2.338 32.127 29.762 0.045 0.000 1.466 274 H HN 0.375 nan 8.280 nan 0.000 0.499 275 I N 4.069 124.432 120.570 -0.346 0.000 2.256 275 I HA -0.036 4.132 4.170 -0.003 0.000 0.294 275 I C 1.555 177.624 176.117 -0.079 0.000 1.127 275 I CA -0.004 61.112 61.300 -0.306 0.000 1.247 275 I CB 0.040 37.715 38.000 -0.542 0.000 1.460 275 I HN 0.590 nan 8.210 nan 0.000 0.511 276 T N 1.513 116.043 114.554 -0.040 0.000 3.215 276 T HA 0.102 4.450 4.350 -0.003 0.000 0.254 276 T C 0.515 175.064 174.700 -0.251 0.000 1.149 276 T CA 0.160 62.132 62.100 -0.214 0.000 1.042 276 T CB 0.113 68.846 68.868 -0.225 0.000 0.966 276 T HN 0.617 nan 8.240 nan 0.000 0.534 277 E N -0.146 119.927 120.200 -0.213 0.000 2.647 277 E HA 0.424 4.772 4.350 -0.003 0.000 0.320 277 E C -1.893 174.557 176.600 -0.250 0.000 0.951 277 E CA -1.027 55.123 56.400 -0.417 0.000 0.809 277 E CB 1.269 30.239 29.700 -1.216 0.000 1.295 277 E HN 0.483 nan 8.360 nan 0.000 0.407 278 Y N 2.626 122.696 120.300 -0.383 0.000 2.624 278 Y HA 0.751 5.299 4.550 -0.003 0.000 0.334 278 Y C -1.166 174.498 175.900 -0.393 0.000 1.155 278 Y CA -0.559 57.245 58.100 -0.494 0.000 1.046 278 Y CB 1.615 40.060 38.460 -0.025 0.000 1.316 278 Y HN 0.651 nan 8.280 nan 0.000 0.457 279 N N -0.873 117.636 118.700 -0.319 0.000 3.514 279 N HA 0.189 4.927 4.740 -0.003 0.000 0.268 279 N C -0.129 175.571 175.510 0.317 0.000 1.391 279 N CA -0.044 52.996 53.050 -0.018 0.000 0.821 279 N CB 0.911 39.383 38.487 -0.024 0.000 1.563 279 N HN 0.915 nan 8.380 nan 0.000 0.426 280 T N -1.382 113.391 114.554 0.366 0.000 2.671 280 T HA 0.053 4.402 4.350 -0.003 0.000 0.250 280 T C 1.098 175.968 174.700 0.283 0.000 1.068 280 T CA 0.919 63.146 62.100 0.211 0.000 1.177 280 T CB -0.587 68.275 68.868 -0.009 0.000 0.876 280 T HN 0.334 nan 8.240 nan 0.000 0.405 281 S N 1.046 116.872 115.700 0.210 0.000 2.554 281 S HA 0.345 4.813 4.470 -0.003 0.000 0.278 281 S C 0.311 175.101 174.600 0.317 0.000 1.242 281 S CA -0.976 57.223 58.200 -0.001 0.000 1.051 281 S CB 0.516 63.509 63.200 -0.345 0.000 0.986 281 S HN 0.556 nan 8.310 nan 0.000 0.502 282 Y N 2.382 122.726 120.300 0.074 0.000 2.470 282 Y HA 0.478 5.026 4.550 -0.003 0.000 0.284 282 Y C 0.639 176.743 175.900 0.340 0.000 1.188 282 Y CA -0.907 57.046 58.100 -0.245 0.000 1.269 282 Y CB -0.884 36.972 38.460 -1.007 0.000 1.094 282 Y HN 0.440 nan 8.280 nan 0.000 0.518 283 S N 3.209 119.106 115.700 0.328 0.000 2.451 283 S HA 0.372 4.840 4.470 -0.003 0.000 0.301 283 S C -1.942 172.472 174.600 -0.310 0.000 1.116 283 S CA -1.816 56.513 58.200 0.215 0.000 1.093 283 S CB 1.281 64.496 63.200 0.025 0.000 1.017 283 S HN 0.146 nan 8.310 nan 0.000 0.482 284 P HA 0.084 nan 4.420 nan 0.000 0.253 284 P C -0.249 176.903 177.300 -0.246 0.000 1.281 284 P CA 0.398 63.003 63.100 -0.826 0.000 0.792 284 P CB -0.089 31.505 31.700 -0.178 0.000 1.193 285 Q N -0.741 118.995 119.800 -0.106 0.000 2.063 285 Q HA 0.162 4.500 4.340 -0.003 0.000 0.245 285 Q C -0.174 175.727 176.000 -0.165 0.000 0.828 285 Q CA -0.263 55.527 55.803 -0.021 0.000 1.089 285 Q CB 0.489 29.302 28.738 0.124 0.000 1.232 285 Q HN 0.028 nan 8.270 nan 0.000 0.445 286 N N 1.554 120.091 118.700 -0.272 0.000 2.469 286 N HA 0.205 4.944 4.740 -0.003 0.000 0.253 286 N C -2.205 173.057 175.510 -0.413 0.000 0.970 286 N CA -2.025 50.772 53.050 -0.422 0.000 0.940 286 N CB 1.703 39.887 38.487 -0.506 0.000 1.128 286 N HN -0.158 nan 8.380 nan 0.000 0.503 287 P HA -0.204 nan 4.420 nan 0.000 0.218 287 P C 1.511 178.571 177.300 -0.401 0.000 1.147 287 P CA 0.709 63.638 63.100 -0.287 0.000 0.827 287 P CB 0.450 32.090 31.700 -0.101 0.000 0.778 288 V N -0.283 119.410 119.914 -0.368 0.000 2.380 288 V HA -0.310 3.808 4.120 -0.003 0.000 0.251 288 V C 2.081 178.040 176.094 -0.225 0.000 1.063 288 V CA 2.089 64.204 62.300 -0.310 0.000 1.055 288 V CB -1.089 30.579 31.823 -0.260 0.000 0.657 288 V HN 0.229 nan 8.190 nan 0.000 0.455 289 H N 0.301 119.271 119.070 -0.167 0.000 2.426 289 H HA -0.109 4.445 4.556 -0.003 0.000 0.298 289 H C 1.825 177.065 175.328 -0.147 0.000 1.107 289 H CA 1.831 57.816 56.048 -0.105 0.000 1.298 289 H CB -0.300 29.376 29.762 -0.143 0.000 1.377 289 H HN 0.588 nan 8.280 nan 0.000 0.519 290 D N 0.530 120.811 120.400 -0.199 0.000 2.339 290 D HA -0.009 4.630 4.640 -0.003 0.000 0.217 290 D C 1.032 177.060 176.300 -0.454 0.000 1.050 290 D CA 0.255 54.062 54.000 -0.320 0.000 0.856 290 D CB 0.199 40.715 40.800 -0.474 0.000 0.922 290 D HN 0.393 nan 8.370 nan 0.000 0.518 291 T N -2.065 112.217 114.554 -0.453 0.000 2.902 291 T HA 0.298 4.646 4.350 -0.003 0.000 0.280 291 T C -2.027 172.676 174.700 0.005 0.000 0.992 291 T CA -1.723 60.169 62.100 -0.347 0.000 1.015 291 T CB 2.360 70.974 68.868 -0.423 0.000 1.044 291 T HN -0.349 nan 8.240 nan 0.000 0.520 292 P HA 0.018 nan 4.420 nan 0.000 0.220 292 P C 1.187 178.597 177.300 0.185 0.000 1.148 292 P CA 0.372 63.578 63.100 0.176 0.000 0.803 292 P CB -0.137 31.696 31.700 0.223 0.000 0.782 293 F N 1.118 121.119 119.950 0.085 0.000 2.065 293 F HA -0.260 4.265 4.527 -0.003 0.000 0.298 293 F C 2.064 177.942 175.800 0.131 0.000 1.112 293 F CA 1.724 59.788 58.000 0.107 0.000 1.212 293 F CB -1.101 37.925 39.000 0.044 0.000 0.975 293 F HN -0.126 nan 8.300 nan 0.000 0.476 294 N N 0.629 119.354 118.700 0.041 0.000 2.094 294 N HA -0.239 4.499 4.740 -0.003 0.000 0.191 294 N C 1.939 177.451 175.510 0.003 0.000 1.023 294 N CA 1.506 54.552 53.050 -0.006 0.000 0.857 294 N CB -0.349 38.220 38.487 0.136 0.000 1.013 294 N HN 0.480 nan 8.380 nan 0.000 0.426 295 A N 0.737 123.574 122.820 0.029 0.000 1.902 295 A HA 0.010 4.328 4.320 -0.003 0.000 0.217 295 A C 2.371 179.948 177.584 -0.012 0.000 1.181 295 A CA 1.892 53.946 52.037 0.028 0.000 0.623 295 A CB -0.817 18.223 19.000 0.067 0.000 0.818 295 A HN 0.438 nan 8.150 nan 0.000 0.443 296 A N -1.903 120.921 122.820 0.006 0.000 1.968 296 A HA -0.014 4.304 4.320 -0.003 0.000 0.217 296 A C 2.102 179.633 177.584 -0.088 0.000 1.169 296 A CA 1.477 53.547 52.037 0.055 0.000 0.638 296 A CB -0.699 18.405 19.000 0.174 0.000 0.812 296 A HN 0.683 nan 8.150 nan 0.000 0.446 297 Y N 0.067 120.158 120.300 -0.348 0.000 2.109 297 Y HA -0.178 4.370 4.550 -0.003 0.000 0.285 297 Y C 1.942 177.687 175.900 -0.259 0.000 1.131 297 Y CA 1.890 59.777 58.100 -0.355 0.000 1.121 297 Y CB -0.258 37.858 38.460 -0.573 0.000 0.987 297 Y HN 0.220 nan 8.280 nan 0.000 0.495 298 I N 0.953 121.536 120.570 0.020 0.000 2.423 298 I HA -0.301 3.867 4.170 -0.003 0.000 0.254 298 I C 2.574 178.464 176.117 -0.378 0.000 1.151 298 I CA 1.365 62.651 61.300 -0.024 0.000 1.421 298 I CB -1.315 36.756 38.000 0.119 0.000 1.079 298 I HN 0.380 nan 8.210 nan 0.000 0.431 299 A N 0.088 122.572 122.820 -0.559 0.000 1.927 299 A HA -0.314 4.004 4.320 -0.003 0.000 0.220 299 A C 2.568 179.442 177.584 -1.182 0.000 1.185 299 A CA 2.230 53.734 52.037 -0.888 0.000 0.639 299 A CB -0.709 17.653 19.000 -1.064 0.000 0.820 299 A HN 0.417 nan 8.150 nan 0.000 0.451 300 R N -0.518 119.293 120.500 -1.150 0.000 2.092 300 R HA -0.032 4.306 4.340 -0.003 0.000 0.231 300 R C 1.949 178.035 176.300 -0.357 0.000 1.119 300 R CA 1.453 57.173 56.100 -0.633 0.000 0.970 300 R CB -0.342 29.802 30.300 -0.260 0.000 0.864 300 R HN 0.603 nan 8.270 nan 0.000 0.440 301 I N 0.813 121.167 120.570 -0.359 0.000 2.252 301 I HA -0.292 3.876 4.170 -0.003 0.000 0.245 301 I C 2.124 178.159 176.117 -0.136 0.000 1.102 301 I CA 1.065 62.218 61.300 -0.244 0.000 1.385 301 I CB -0.225 37.686 38.000 -0.149 0.000 1.064 301 I HN 0.199 nan 8.210 nan 0.000 0.414 302 L N -0.101 120.959 121.223 -0.272 0.000 2.079 302 L HA -0.234 4.104 4.340 -0.003 0.000 0.210 302 L C 2.700 179.470 176.870 -0.167 0.000 1.081 302 L CA 1.509 56.093 54.840 -0.426 0.000 0.752 302 L CB -0.685 40.366 42.059 -1.681 0.000 0.896 302 L HN 0.292 nan 8.230 nan 0.000 0.433 303 S N -0.598 115.039 115.700 -0.105 0.000 2.387 303 S HA -0.125 4.343 4.470 -0.003 0.000 0.226 303 S C 1.696 176.463 174.600 0.279 0.000 1.026 303 S CA 1.234 59.595 58.200 0.269 0.000 0.972 303 S CB 0.134 63.462 63.200 0.213 0.000 0.814 303 S HN 0.491 nan 8.310 nan 0.000 0.477 304 E N -0.793 119.469 120.200 0.104 0.000 2.453 304 E HA 0.205 4.553 4.350 -0.003 0.000 0.211 304 E C 2.037 178.626 176.600 -0.018 0.000 0.897 304 E CA 0.341 56.783 56.400 0.069 0.000 1.063 304 E CB -0.163 29.590 29.700 0.087 0.000 1.080 304 E HN 0.527 nan 8.360 nan 0.000 0.512 305 G N 1.339 110.037 108.800 -0.171 0.000 2.469 305 G HA2 -0.284 3.675 3.960 -0.003 0.000 0.219 305 G HA3 -0.284 3.675 3.960 -0.003 0.000 0.219 305 G C 1.527 176.225 174.900 -0.337 0.000 1.150 305 G CA 0.925 45.759 45.100 -0.443 0.000 0.763 305 G HN 0.366 nan 8.290 nan 0.000 0.561 306 G N 0.242 108.998 108.800 -0.072 0.000 2.527 306 G HA2 -0.094 3.864 3.960 -0.003 0.000 0.219 306 G HA3 -0.094 3.864 3.960 -0.003 0.000 0.219 306 G C 1.314 176.154 174.900 -0.099 0.000 1.117 306 G CA 1.133 46.288 45.100 0.091 0.000 0.759 306 G HN 0.358 nan 8.290 nan 0.000 0.556 307 D N -0.492 119.746 120.400 -0.270 0.000 2.149 307 D HA -0.027 4.611 4.640 -0.003 0.000 0.201 307 D C 1.521 177.473 176.300 -0.579 0.000 0.972 307 D CA 0.860 54.547 54.000 -0.520 0.000 0.835 307 D CB -0.071 40.171 40.800 -0.931 0.000 0.966 307 D HN 0.575 nan 8.370 nan 0.000 0.476 308 Y N -0.818 119.496 120.300 0.023 0.000 2.442 308 Y HA 0.238 4.786 4.550 -0.003 0.000 0.250 308 Y C 0.665 176.583 175.900 0.031 0.000 1.113 308 Y CA -0.516 57.621 58.100 0.062 0.000 1.273 308 Y CB 0.537 39.080 38.460 0.139 0.000 1.138 308 Y HN -0.216 nan 8.280 nan 0.000 0.522 309 V N -3.829 116.091 119.914 0.009 0.000 3.102 309 V HA 0.443 4.561 4.120 -0.003 0.000 0.312 309 V C -0.072 175.964 176.094 -0.096 0.000 1.135 309 V CA -0.907 61.310 62.300 -0.137 0.000 1.022 309 V CB 2.301 33.814 31.823 -0.517 0.000 1.056 309 V HN -0.037 nan 8.190 nan 0.000 0.436 310 D N 1.351 121.645 120.400 -0.176 0.000 2.349 310 D HA 0.185 4.823 4.640 -0.003 0.000 0.215 310 D C 0.672 176.863 176.300 -0.183 0.000 1.016 310 D CA 1.494 55.366 54.000 -0.214 0.000 0.870 310 D CB 0.834 41.418 40.800 -0.360 0.000 0.917 310 D HN 0.982 nan 8.370 nan 0.000 0.524 311 S N 0.155 115.844 115.700 -0.018 0.000 2.678 311 S HA 0.413 4.881 4.470 -0.003 0.000 0.290 311 S C -1.736 173.004 174.600 0.233 0.000 1.047 311 S CA -1.125 57.160 58.200 0.141 0.000 0.851 311 S CB 0.151 63.468 63.200 0.195 0.000 1.058 311 S HN 0.029 nan 8.310 nan 0.000 0.451 312 F N -0.216 119.728 119.950 -0.010 0.000 2.671 312 F HA 0.782 5.307 4.527 -0.003 0.000 0.332 312 F C -0.240 175.753 175.800 0.322 0.000 1.189 312 F CA -1.072 56.902 58.000 -0.043 0.000 0.988 312 F CB 1.278 40.085 39.000 -0.321 0.000 1.258 312 F HN 0.636 nan 8.300 nan 0.000 0.471 313 S N 3.806 119.687 115.700 0.302 0.000 2.416 313 S HA 0.275 4.743 4.470 -0.003 0.000 0.287 313 S C -0.785 173.922 174.600 0.178 0.000 1.139 313 S CA -0.304 57.998 58.200 0.171 0.000 1.058 313 S CB -0.119 63.021 63.200 -0.099 0.000 0.967 313 S HN 0.603 nan 8.310 nan 0.000 0.495 314 Y N 6.360 126.596 120.300 -0.107 0.000 2.569 314 Y HA 0.179 4.727 4.550 -0.003 0.000 0.332 314 Y C -0.062 175.613 175.900 -0.374 0.000 1.120 314 Y CA -0.139 57.613 58.100 -0.580 0.000 1.416 314 Y CB 0.339 38.564 38.460 -0.392 0.000 1.210 314 Y HN 0.732 nan 8.280 nan 0.000 0.528 315 W N 9.759 130.446 121.300 -1.022 0.000 2.311 315 W HA 0.341 4.999 4.660 -0.003 0.000 0.317 315 W C -1.025 174.891 176.519 -1.004 0.000 1.065 315 W CA -0.258 56.578 57.345 -0.848 0.000 1.364 315 W CB 1.038 30.026 29.460 -0.788 0.000 1.233 315 W HN 0.763 nan 8.180 nan 0.000 0.409 316 T N 1.605 115.704 114.554 -0.759 0.000 2.693 316 T HA 0.389 4.737 4.350 -0.003 0.000 0.278 316 T C 0.566 175.061 174.700 -0.341 0.000 0.994 316 T CA -0.592 61.099 62.100 -0.681 0.000 1.033 316 T CB 1.216 69.506 68.868 -0.964 0.000 1.342 316 T HN 0.338 nan 8.240 nan 0.000 0.538 317 F N -0.150 119.539 119.950 -0.435 0.000 2.416 317 F HA 0.502 5.027 4.527 -0.003 0.000 0.296 317 F C 0.669 176.303 175.800 -0.277 0.000 1.099 317 F CA 0.147 57.930 58.000 -0.362 0.000 1.427 317 F CB -0.147 38.581 39.000 -0.453 0.000 1.079 317 F HN 0.658 nan 8.300 nan 0.000 0.536 318 S N -0.425 114.447 115.700 -1.379 0.000 2.564 318 S HA 0.297 4.766 4.470 -0.003 0.000 0.274 318 S C -0.210 173.991 174.600 -0.666 0.000 1.124 318 S CA -0.693 56.865 58.200 -1.070 0.000 0.869 318 S CB 1.280 63.538 63.200 -1.570 0.000 1.105 318 S HN 0.107 nan 8.310 nan 0.000 0.472 319 D N 1.519 121.677 120.400 -0.403 0.000 2.378 319 D HA 0.060 4.698 4.640 -0.003 0.000 0.227 319 D C 0.383 176.636 176.300 -0.079 0.000 1.012 319 D CA 0.498 54.371 54.000 -0.211 0.000 0.905 319 D CB -0.138 40.581 40.800 -0.134 0.000 0.895 319 D HN 0.348 nan 8.370 nan 0.000 0.532 320 V N 2.082 121.895 119.914 -0.168 0.000 2.400 320 V HA 0.014 4.133 4.120 -0.003 0.000 0.263 320 V C -0.139 176.028 176.094 0.121 0.000 1.026 320 V CA 0.431 62.712 62.300 -0.032 0.000 1.077 320 V CB -0.912 30.898 31.823 -0.022 0.000 1.054 320 V HN -0.062 nan 8.190 nan 0.000 0.477 321 F N 2.984 122.887 119.950 -0.079 0.000 2.654 321 F HA 0.473 4.999 4.527 -0.003 0.000 0.308 321 F C 0.625 176.436 175.800 0.018 0.000 1.108 321 F CA -0.757 57.225 58.000 -0.030 0.000 0.957 321 F CB 2.508 41.501 39.000 -0.011 0.000 1.309 321 F HN 0.413 nan 8.300 nan 0.000 0.446 322 E N 1.020 121.133 120.200 -0.145 0.000 2.702 322 E HA 0.039 4.387 4.350 -0.003 0.000 0.225 322 E C 0.844 177.589 176.600 0.242 0.000 0.942 322 E CA 0.085 56.543 56.400 0.097 0.000 1.210 322 E CB 0.693 30.537 29.700 0.240 0.000 1.143 322 E HN 0.732 nan 8.360 nan 0.000 0.544 323 E N 1.442 121.631 120.200 -0.017 0.000 2.136 323 E HA -0.176 4.173 4.350 -0.003 0.000 0.202 323 E C 0.884 177.568 176.600 0.140 0.000 1.019 323 E CA 1.182 57.521 56.400 -0.101 0.000 0.819 323 E CB 0.095 29.605 29.700 -0.317 0.000 0.739 323 E HN 0.041 nan 8.360 nan 0.000 0.458 324 R N 1.061 121.658 120.500 0.162 0.000 2.997 324 R HA 0.101 4.439 4.340 -0.003 0.000 0.358 324 R C -0.964 175.274 176.300 -0.103 0.000 1.191 324 R CA -0.265 55.883 56.100 0.080 0.000 1.113 324 R CB 0.344 30.704 30.300 0.100 0.000 1.433 324 R HN 0.051 nan 8.270 nan 0.000 0.584 325 D N -0.162 120.035 120.400 -0.338 0.000 10.807 325 D HA -0.187 4.451 4.640 -0.003 0.000 0.359 325 D C -0.322 175.697 176.300 -0.467 0.000 3.110 325 D CA 0.528 53.950 54.000 -0.963 0.000 2.589 325 D CB 0.465 40.840 40.800 -0.708 0.000 1.188 325 D HN -0.062 nan 8.370 nan 0.000 0.949 326 V N 2.696 122.343 119.914 -0.445 0.000 2.694 326 V HA 0.131 4.250 4.120 -0.003 0.000 0.306 326 V C -1.389 174.575 176.094 -0.217 0.000 1.054 326 V CA -0.377 61.796 62.300 -0.212 0.000 1.161 326 V CB 0.296 32.041 31.823 -0.130 0.000 0.916 326 V HN 0.439 nan 8.190 nan 0.000 0.490 327 P HA 0.182 nan 4.420 nan 0.000 0.268 327 P C 0.093 177.241 177.300 -0.254 0.000 1.208 327 P CA 0.033 62.855 63.100 -0.462 0.000 0.777 327 P CB 0.404 31.637 31.700 -0.778 0.000 0.875 328 R N 0.209 120.572 120.500 -0.229 0.000 2.543 328 R HA 0.292 4.630 4.340 -0.003 0.000 0.323 328 R C -0.190 176.047 176.300 -0.104 0.000 1.002 328 R CA 0.014 56.068 56.100 -0.078 0.000 1.106 328 R CB 0.277 30.507 30.300 -0.115 0.000 1.280 328 R HN 0.616 nan 8.270 nan 0.000 0.549 329 S N -2.234 113.408 115.700 -0.096 0.000 2.578 329 S HA 0.040 4.509 4.470 -0.003 0.000 0.272 329 S C 0.162 174.710 174.600 -0.086 0.000 1.145 329 S CA -0.969 57.171 58.200 -0.101 0.000 0.835 329 S CB 1.530 64.759 63.200 0.048 0.000 1.104 329 S HN -0.065 nan 8.310 nan 0.000 0.458 330 Q N 0.654 120.331 119.800 -0.206 0.000 2.133 330 Q HA 0.081 4.419 4.340 -0.003 0.000 0.208 330 Q C -0.613 174.806 176.000 -0.968 0.000 0.991 330 Q CA 1.952 57.444 55.803 -0.518 0.000 0.867 330 Q CB -0.270 28.148 28.738 -0.532 0.000 0.911 330 Q HN 0.676 nan 8.270 nan 0.000 0.417 331 F N 0.179 119.634 119.950 -0.826 0.000 2.477 331 F HA 0.320 4.846 4.527 -0.003 0.000 0.335 331 F C 0.425 175.933 175.800 -0.487 0.000 1.130 331 F CA -0.631 56.845 58.000 -0.874 0.000 0.948 331 F CB 1.709 39.917 39.000 -1.319 0.000 1.154 331 F HN 0.232 nan 8.300 nan 0.000 0.439 332 H N 1.083 120.077 119.070 -0.126 0.000 3.297 332 H HA 0.303 4.857 4.556 -0.003 0.000 0.254 332 H C 0.974 176.248 175.328 -0.090 0.000 1.192 332 H CA 0.070 56.071 56.048 -0.077 0.000 1.058 332 H CB 0.641 30.343 29.762 -0.100 0.000 1.777 332 H HN 0.825 nan 8.280 nan 0.000 0.696 333 G N 1.131 109.762 108.800 -0.281 0.000 2.137 333 G HA2 -0.242 3.717 3.960 -0.003 0.000 0.237 333 G HA3 -0.242 3.717 3.960 -0.003 0.000 0.237 333 G C 0.664 175.466 174.900 -0.164 0.000 1.002 333 G CA 0.151 45.133 45.100 -0.196 0.000 0.702 333 G HN 0.857 nan 8.290 nan 0.000 0.515 334 G N -1.237 107.312 108.800 -0.419 0.000 2.636 334 G HA2 0.462 4.420 3.960 -0.003 0.000 0.246 334 G HA3 0.462 4.420 3.960 -0.003 0.000 0.246 334 G C 0.819 175.398 174.900 -0.534 0.000 1.216 334 G CA -0.206 44.647 45.100 -0.411 0.000 0.854 334 G HN 0.229 nan 8.290 nan 0.000 0.572 335 F N 1.041 120.594 119.950 -0.661 0.000 2.407 335 F HA 0.092 4.618 4.527 -0.003 0.000 0.299 335 F C 2.426 177.864 175.800 -0.604 0.000 1.097 335 F CA 0.254 57.712 58.000 -0.904 0.000 1.422 335 F CB -0.206 38.232 39.000 -0.936 0.000 1.067 335 F HN 0.506 nan 8.300 nan 0.000 0.539 336 G N 0.721 109.320 108.800 -0.335 0.000 2.368 336 G HA2 0.016 3.975 3.960 -0.003 0.000 0.233 336 G HA3 0.016 3.975 3.960 -0.003 0.000 0.233 336 G C 0.828 175.661 174.900 -0.112 0.000 1.267 336 G CA -0.369 44.560 45.100 -0.284 0.000 0.873 336 G HN 0.292 nan 8.290 nan 0.000 0.539 337 L N 1.447 122.627 121.223 -0.071 0.000 2.217 337 L HA 0.052 4.390 4.340 -0.003 0.000 0.211 337 L C 0.584 177.434 176.870 -0.033 0.000 1.107 337 L CA 0.468 55.294 54.840 -0.023 0.000 0.783 337 L CB -0.156 41.868 42.059 -0.057 0.000 0.919 337 L HN 0.226 nan 8.230 nan 0.000 0.442 338 V N -0.286 119.557 119.914 -0.119 0.000 2.540 338 V HA 0.590 4.708 4.120 -0.003 0.000 0.302 338 V C 0.217 176.187 176.094 -0.207 0.000 1.035 338 V CA -0.919 61.279 62.300 -0.170 0.000 0.873 338 V CB 1.541 33.278 31.823 -0.144 0.000 0.992 338 V HN 0.102 nan 8.190 nan 0.000 0.428 339 A N 4.508 127.206 122.820 -0.204 0.000 2.271 339 A HA 0.780 5.098 4.320 -0.003 0.000 0.288 339 A C -0.016 177.398 177.584 -0.284 0.000 1.094 339 A CA -0.591 51.267 52.037 -0.298 0.000 0.828 339 A CB 0.268 18.977 19.000 -0.484 0.000 1.091 339 A HN 0.836 nan 8.150 nan 0.000 0.493 340 L N 1.105 122.165 121.223 -0.271 0.000 2.529 340 L HA -0.044 4.294 4.340 -0.003 0.000 0.287 340 L C 0.522 177.264 176.870 -0.215 0.000 1.241 340 L CA 0.464 55.184 54.840 -0.200 0.000 0.857 340 L CB -0.133 41.838 42.059 -0.147 0.000 1.113 340 L HN 0.865 nan 8.230 nan 0.000 0.504 341 N N 2.467 121.069 118.700 -0.164 0.000 2.869 341 N HA -0.220 4.518 4.740 -0.003 0.000 0.249 341 N C 0.056 175.444 175.510 -0.203 0.000 1.104 341 N CA 0.898 53.854 53.050 -0.156 0.000 0.760 341 N CB -0.915 37.487 38.487 -0.142 0.000 1.108 341 N HN 0.794 nan 8.380 nan 0.000 0.555 342 M N -1.101 118.360 119.600 -0.231 0.000 2.206 342 M HA -0.254 4.225 4.480 -0.003 0.000 0.197 342 M C -0.633 175.454 176.300 -0.354 0.000 0.375 342 M CA 1.130 56.228 55.300 -0.338 0.000 0.410 342 M CB -1.267 31.029 32.600 -0.507 0.000 1.204 342 M HN 0.183 nan 8.290 nan 0.000 0.932 343 I N 2.811 123.234 120.570 -0.245 0.000 2.307 343 I HA 0.261 4.429 4.170 -0.003 0.000 0.287 343 I C -1.483 174.550 176.117 -0.140 0.000 1.054 343 I CA -1.901 59.301 61.300 -0.163 0.000 1.218 343 I CB 0.806 38.730 38.000 -0.127 0.000 1.398 343 I HN -0.018 nan 8.210 nan 0.000 0.475 344 P HA 0.048 nan 4.420 nan 0.000 0.265 344 P C -0.727 176.536 177.300 -0.062 0.000 1.193 344 P CA 0.051 62.930 63.100 -0.368 0.000 0.765 344 P CB 0.827 32.025 31.700 -0.837 0.000 0.823 345 K N 4.510 124.905 120.400 -0.008 0.000 2.109 345 K HA 0.261 4.580 4.320 -0.003 0.000 0.243 345 K C -1.288 175.399 176.600 0.145 0.000 1.006 345 K CA -1.857 54.494 56.287 0.107 0.000 0.917 345 K CB 0.215 32.767 32.500 0.086 0.000 1.081 345 K HN 0.257 nan 8.250 nan 0.000 0.468 346 P HA -0.173 nan 4.420 nan 0.000 0.216 346 P C 0.914 178.293 177.300 0.130 0.000 1.150 346 P CA 1.557 64.777 63.100 0.200 0.000 0.837 346 P CB -0.033 31.761 31.700 0.157 0.000 0.786 347 T N -0.212 114.394 114.554 0.086 0.000 2.759 347 T HA -0.174 4.174 4.350 -0.003 0.000 0.269 347 T C 1.451 176.179 174.700 0.046 0.000 1.042 347 T CA 1.043 63.171 62.100 0.047 0.000 1.140 347 T CB -1.062 67.813 68.868 0.012 0.000 0.864 347 T HN 0.029 nan 8.240 nan 0.000 0.455 348 F N 1.239 121.089 119.950 -0.168 0.000 2.087 348 F HA -0.242 4.283 4.527 -0.003 0.000 0.299 348 F C 1.877 177.503 175.800 -0.290 0.000 1.100 348 F CA 1.341 59.169 58.000 -0.287 0.000 1.226 348 F CB -0.620 38.117 39.000 -0.439 0.000 0.983 348 F HN 0.233 nan 8.300 nan 0.000 0.479 349 Y N -0.237 120.030 120.300 -0.055 0.000 2.497 349 Y HA -0.167 4.382 4.550 -0.003 0.000 0.292 349 Y C 2.495 177.971 175.900 -0.707 0.000 1.137 349 Y CA 1.200 59.037 58.100 -0.438 0.000 1.285 349 Y CB -0.711 37.484 38.460 -0.441 0.000 0.991 349 Y HN 0.046 nan 8.280 nan 0.000 0.556 350 T N -0.098 114.316 114.554 -0.233 0.000 2.737 350 T HA -0.153 4.195 4.350 -0.003 0.000 0.265 350 T C 1.454 176.104 174.700 -0.083 0.000 1.038 350 T CA 1.329 63.338 62.100 -0.151 0.000 1.144 350 T CB -0.486 68.313 68.868 -0.114 0.000 0.866 350 T HN 0.156 nan 8.240 nan 0.000 0.434 351 F N 1.638 121.436 119.950 -0.252 0.000 2.102 351 F HA 0.007 4.532 4.527 -0.003 0.000 0.298 351 F C 2.381 178.116 175.800 -0.108 0.000 1.105 351 F CA 1.064 58.956 58.000 -0.179 0.000 1.239 351 F CB -0.439 38.476 39.000 -0.141 0.000 0.991 351 F HN 0.004 nan 8.300 nan 0.000 0.474 352 K N 0.533 120.867 120.400 -0.110 0.000 2.020 352 K HA -0.205 4.113 4.320 -0.003 0.000 0.212 352 K C 2.062 178.781 176.600 0.198 0.000 1.050 352 K CA 1.806 58.042 56.287 -0.083 0.000 0.929 352 K CB -1.027 31.343 32.500 -0.217 0.000 0.714 352 K HN 0.309 nan 8.250 nan 0.000 0.443 353 F N -0.780 119.192 119.950 0.036 0.000 2.154 353 F HA -0.206 4.319 4.527 -0.003 0.000 0.301 353 F C 1.758 177.475 175.800 -0.138 0.000 1.087 353 F CA 0.323 58.302 58.000 -0.035 0.000 1.274 353 F CB -0.250 38.722 39.000 -0.045 0.000 1.009 353 F HN 0.007 nan 8.300 nan 0.000 0.485 354 F N 0.707 120.562 119.950 -0.157 0.000 2.451 354 F HA -0.161 4.364 4.527 -0.003 0.000 0.299 354 F C 1.920 177.670 175.800 -0.083 0.000 1.101 354 F CA 0.736 58.466 58.000 -0.450 0.000 1.436 354 F CB -0.815 37.351 39.000 -1.389 0.000 1.074 354 F HN -0.053 nan 8.300 nan 0.000 0.553 355 N N 0.257 119.124 118.700 0.278 0.000 2.272 355 N HA -0.146 4.592 4.740 -0.003 0.000 0.185 355 N C 2.010 177.632 175.510 0.187 0.000 1.014 355 N CA 1.151 54.401 53.050 0.334 0.000 0.870 355 N CB -0.398 38.212 38.487 0.206 0.000 0.975 355 N HN 0.277 nan 8.380 nan 0.000 0.433 356 A N 0.416 123.277 122.820 0.070 0.000 2.119 356 A HA 0.029 4.348 4.320 -0.003 0.000 0.217 356 A C 0.917 178.484 177.584 -0.029 0.000 1.153 356 A CA 0.380 52.414 52.037 -0.004 0.000 0.692 356 A CB -0.093 18.857 19.000 -0.083 0.000 0.799 356 A HN 0.064 nan 8.150 nan 0.000 0.458 357 M N 0.138 119.712 119.600 -0.043 0.000 2.243 357 M HA 0.340 4.818 4.480 -0.003 0.000 0.341 357 M C 0.798 177.171 176.300 0.121 0.000 1.130 357 M CA -0.334 54.930 55.300 -0.060 0.000 1.162 357 M CB 0.007 32.472 32.600 -0.225 0.000 1.497 357 M HN 0.216 nan 8.290 nan 0.000 0.456 358 G N 1.549 110.402 108.800 0.089 0.000 2.552 358 G HA2 0.408 4.366 3.960 -0.003 0.000 0.318 358 G HA3 0.408 4.366 3.960 -0.003 0.000 0.318 358 G C 0.339 175.365 174.900 0.210 0.000 1.240 358 G CA -0.404 44.775 45.100 0.131 0.000 1.002 358 G HN 0.789 nan 8.290 nan 0.000 0.493 359 E N -0.583 119.718 120.200 0.168 0.000 2.216 359 E HA -0.028 4.320 4.350 -0.003 0.000 0.192 359 E C 0.355 177.039 176.600 0.141 0.000 0.988 359 E CA 0.455 56.959 56.400 0.174 0.000 0.834 359 E CB 0.236 29.998 29.700 0.103 0.000 0.772 359 E HN 0.469 nan 8.360 nan 0.000 0.479 360 E N 1.373 121.625 120.200 0.087 0.000 2.070 360 E HA 0.107 4.455 4.350 -0.003 0.000 0.282 360 E C -0.610 176.021 176.600 0.052 0.000 1.104 360 E CA -0.157 56.270 56.400 0.044 0.000 0.876 360 E CB 0.633 30.337 29.700 0.006 0.000 1.055 360 E HN 0.090 nan 8.360 nan 0.000 0.401 361 M N 5.245 124.885 119.600 0.066 0.000 2.120 361 M HA 0.138 4.616 4.480 -0.003 0.000 0.354 361 M C -0.039 176.290 176.300 0.049 0.000 1.287 361 M CA -0.054 55.284 55.300 0.063 0.000 1.103 361 M CB 0.439 33.100 32.600 0.102 0.000 1.623 361 M HN 0.573 nan 8.290 nan 0.000 0.471 362 L N 5.167 126.426 121.223 0.059 0.000 2.425 362 L HA 0.274 4.612 4.340 -0.003 0.000 0.215 362 L C -0.271 176.721 176.870 0.203 0.000 1.065 362 L CA 0.039 54.942 54.840 0.105 0.000 0.842 362 L CB 0.217 42.319 42.059 0.072 0.000 1.033 362 L HN 0.691 nan 8.230 nan 0.000 0.474 363 Y N -0.163 120.151 120.300 0.024 0.000 2.604 363 Y HA 0.579 5.128 4.550 -0.003 0.000 0.331 363 Y C -1.141 174.769 175.900 0.017 0.000 1.158 363 Y CA -1.254 56.865 58.100 0.031 0.000 1.056 363 Y CB 1.414 39.889 38.460 0.024 0.000 1.330 363 Y HN -0.131 nan 8.280 nan 0.000 0.457 364 R N 3.496 123.473 120.500 -0.872 0.000 2.644 364 R HA 0.446 4.784 4.340 -0.003 0.000 0.257 364 R C -2.304 173.635 176.300 -0.602 0.000 1.082 364 R CA -0.367 55.436 56.100 -0.495 0.000 0.927 364 R CB 1.625 31.829 30.300 -0.160 0.000 1.258 364 R HN 0.907 nan 8.270 nan 0.000 0.459 365 D N 0.332 120.578 120.400 -0.257 0.000 2.759 365 D HA 0.092 4.730 4.640 -0.003 0.000 0.321 365 D C 0.086 176.364 176.300 -0.037 0.000 1.267 365 D CA -0.669 53.258 54.000 -0.122 0.000 0.933 365 D CB 0.483 41.273 40.800 -0.017 0.000 1.431 365 D HN 0.490 nan 8.370 nan 0.000 0.504 366 E N -1.219 118.966 120.200 -0.025 0.000 2.267 366 E HA -0.179 4.169 4.350 -0.003 0.000 0.197 366 E C 0.346 176.693 176.600 -0.422 0.000 0.998 366 E CA 1.023 57.354 56.400 -0.116 0.000 0.830 366 E CB -0.163 29.459 29.700 -0.129 0.000 0.751 366 E HN 0.402 nan 8.360 nan 0.000 0.491 367 H N -1.583 117.286 119.070 -0.335 0.000 2.767 367 H HA 0.366 4.921 4.556 -0.003 0.000 0.260 367 H C -0.152 174.217 175.328 -1.599 0.000 1.172 367 H CA -0.054 55.294 56.048 -1.166 0.000 1.048 367 H CB 0.702 30.158 29.762 -0.510 0.000 1.697 367 H HN 0.067 nan 8.280 nan 0.000 0.606 368 M N 1.193 120.191 119.600 -1.003 0.000 2.414 368 M HA 0.352 4.830 4.480 -0.003 0.000 0.287 368 M C -2.325 173.914 176.300 -0.102 0.000 1.181 368 M CA -0.518 54.471 55.300 -0.520 0.000 0.933 368 M CB 2.826 35.376 32.600 -0.083 0.000 1.732 368 M HN 0.023 nan 8.290 nan 0.000 0.486 369 L N 5.113 126.352 121.223 0.026 0.000 2.409 369 L HA 0.834 5.172 4.340 -0.003 0.000 0.272 369 L C -1.844 174.989 176.870 -0.063 0.000 0.980 369 L CA -0.733 54.114 54.840 0.013 0.000 0.826 369 L CB 2.153 44.191 42.059 -0.035 0.000 1.268 369 L HN 0.626 nan 8.230 nan 0.000 0.407 370 V N 2.775 122.677 119.914 -0.019 0.000 2.577 370 V HA 0.648 4.766 4.120 -0.003 0.000 0.303 370 V C -0.032 176.033 176.094 -0.049 0.000 1.042 370 V CA -0.394 61.888 62.300 -0.030 0.000 0.872 370 V CB 2.017 33.873 31.823 0.054 0.000 0.998 370 V HN 0.890 nan 8.190 nan 0.000 0.423 371 T N 1.847 116.348 114.554 -0.090 0.000 2.865 371 T HA 0.794 5.142 4.350 -0.003 0.000 0.294 371 T C -0.768 173.912 174.700 -0.033 0.000 1.119 371 T CA -0.983 61.082 62.100 -0.059 0.000 1.007 371 T CB 2.566 71.376 68.868 -0.097 0.000 1.225 371 T HN 0.615 nan 8.240 nan 0.000 0.515 372 R N 0.067 120.566 120.500 -0.003 0.000 2.599 372 R HA 0.698 5.036 4.340 -0.003 0.000 0.295 372 R C -0.635 175.684 176.300 0.031 0.000 0.963 372 R CA -0.808 55.298 56.100 0.010 0.000 0.883 372 R CB 1.287 31.588 30.300 0.002 0.000 1.171 372 R HN 0.602 nan 8.270 nan 0.000 0.450 373 R N 0.933 121.457 120.500 0.040 0.000 2.541 373 R HA 0.195 4.533 4.340 -0.003 0.000 0.263 373 R C 0.518 176.845 176.300 0.044 0.000 1.112 373 R CA -0.455 55.673 56.100 0.047 0.000 1.170 373 R CB 0.370 30.697 30.300 0.045 0.000 1.167 373 R HN 0.617 nan 8.270 nan 0.000 0.582 374 D N 0.621 121.045 120.400 0.040 0.000 2.178 374 D HA -0.136 4.502 4.640 -0.003 0.000 0.202 374 D C 0.610 176.928 176.300 0.030 0.000 0.974 374 D CA 1.335 55.354 54.000 0.032 0.000 0.841 374 D CB -0.059 40.757 40.800 0.027 0.000 0.953 374 D HN 0.578 nan 8.370 nan 0.000 0.478 375 D N -0.862 119.556 120.400 0.029 0.000 2.336 375 D HA 0.072 4.710 4.640 -0.003 0.000 0.229 375 D C 1.523 177.852 176.300 0.048 0.000 1.061 375 D CA 0.787 54.800 54.000 0.022 0.000 0.875 375 D CB -0.067 40.732 40.800 -0.001 0.000 0.904 375 D HN 0.222 nan 8.370 nan 0.000 0.525 376 G N 0.103 108.949 108.800 0.077 0.000 2.217 376 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.246 376 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.246 376 G C 0.436 175.482 174.900 0.244 0.000 0.990 376 G CA 0.363 45.549 45.100 0.144 0.000 0.627 376 G HN 0.820 nan 8.290 nan 0.000 0.522 377 S N -0.421 115.388 115.700 0.183 0.000 2.592 377 S HA 0.693 5.161 4.470 -0.003 0.000 0.271 377 S C 0.154 174.839 174.600 0.143 0.000 1.326 377 S CA -0.117 58.224 58.200 0.236 0.000 1.024 377 S CB 2.552 65.813 63.200 0.101 0.000 0.921 377 S HN 1.035 nan 8.310 nan 0.000 0.527 378 V N 1.333 121.324 119.914 0.129 0.000 2.581 378 V HA 0.820 4.939 4.120 -0.003 0.000 0.303 378 V C 0.247 176.338 176.094 -0.004 0.000 1.041 378 V CA -0.548 61.768 62.300 0.027 0.000 0.907 378 V CB 1.428 33.234 31.823 -0.028 0.000 0.994 378 V HN 1.235 nan 8.190 nan 0.000 0.442 379 A N 4.565 127.357 122.820 -0.046 0.000 2.371 379 A HA 0.913 5.231 4.320 -0.003 0.000 0.311 379 A C -1.255 176.255 177.584 -0.123 0.000 1.068 379 A CA -0.528 51.457 52.037 -0.087 0.000 0.744 379 A CB 1.513 20.446 19.000 -0.111 0.000 1.239 379 A HN 0.921 nan 8.150 nan 0.000 0.435 380 L N 2.894 124.043 121.223 -0.124 0.000 2.408 380 L HA 0.820 5.159 4.340 -0.003 0.000 0.268 380 L C -1.697 175.078 176.870 -0.159 0.000 0.986 380 L CA -0.731 54.030 54.840 -0.133 0.000 0.820 380 L CB 1.449 43.435 42.059 -0.121 0.000 1.303 380 L HN 0.681 nan 8.230 nan 0.000 0.411 381 I N 4.498 124.969 120.570 -0.166 0.000 2.498 381 I HA 0.758 4.926 4.170 -0.003 0.000 0.290 381 I C -0.494 175.631 176.117 0.015 0.000 1.032 381 I CA -0.509 60.721 61.300 -0.116 0.000 1.073 381 I CB 2.072 39.934 38.000 -0.229 0.000 1.251 381 I HN 0.735 nan 8.210 nan 0.000 0.426 382 A N 5.678 128.509 122.820 0.019 0.000 2.475 382 A HA 0.894 5.213 4.320 -0.003 0.000 0.301 382 A C -1.886 175.788 177.584 0.151 0.000 1.059 382 A CA -0.484 51.476 52.037 -0.129 0.000 0.710 382 A CB 1.287 20.099 19.000 -0.314 0.000 1.288 382 A HN 0.808 nan 8.150 nan 0.000 0.408 383 W N 0.481 121.844 121.300 0.104 0.000 3.029 383 W HA 0.751 5.409 4.660 -0.003 0.000 0.339 383 W C -0.897 175.775 176.519 0.255 0.000 1.198 383 W CA -0.728 56.712 57.345 0.159 0.000 1.148 383 W CB 1.524 31.071 29.460 0.145 0.000 1.451 383 W HN 0.645 nan 8.180 nan 0.000 0.564 384 N N 1.903 120.853 118.700 0.416 0.000 2.710 384 N HA -0.008 4.731 4.740 -0.003 0.000 0.244 384 N C -0.705 175.001 175.510 0.327 0.000 1.321 384 N CA -0.323 52.906 53.050 0.298 0.000 0.758 384 N CB 0.732 39.339 38.487 0.199 0.000 1.284 384 N HN 0.593 nan 8.380 nan 0.000 0.530 385 E N 1.509 121.954 120.200 0.408 0.000 2.354 385 E HA 0.094 4.442 4.350 -0.003 0.000 0.269 385 E C -0.574 176.260 176.600 0.390 0.000 1.036 385 E CA -0.325 56.280 56.400 0.342 0.000 0.876 385 E CB 1.694 31.526 29.700 0.219 0.000 1.009 385 E HN 0.044 nan 8.360 nan 0.000 0.416 386 V N 5.394 125.587 119.914 0.465 0.000 2.270 386 V HA 0.008 4.126 4.120 -0.003 0.000 0.263 386 V C 1.451 177.786 176.094 0.401 0.000 1.066 386 V CA -0.514 62.001 62.300 0.358 0.000 0.857 386 V CB 0.411 32.388 31.823 0.257 0.000 1.099 386 V HN 0.689 nan 8.190 nan 0.000 0.476 387 M N 1.409 121.243 119.600 0.390 0.000 2.202 387 M HA 0.002 4.481 4.480 -0.003 0.000 0.262 387 M C 0.655 177.013 176.300 0.096 0.000 1.063 387 M CA 1.456 56.946 55.300 0.317 0.000 1.097 387 M CB -0.604 32.172 32.600 0.293 0.000 1.382 387 M HN 0.644 nan 8.290 nan 0.000 0.413 388 D N -0.922 119.528 120.400 0.083 0.000 2.596 388 D HA 0.280 4.918 4.640 -0.003 0.000 0.262 388 D C -0.936 175.380 176.300 0.027 0.000 1.210 388 D CA -0.533 53.481 54.000 0.023 0.000 0.873 388 D CB 1.616 42.433 40.800 0.029 0.000 1.408 388 D HN -0.119 nan 8.370 nan 0.000 0.441 389 K N 0.747 121.149 120.400 0.004 0.000 2.511 389 K HA 0.336 4.654 4.320 -0.003 0.000 0.280 389 K C -0.349 176.267 176.600 0.025 0.000 1.008 389 K CA 0.533 56.826 56.287 0.010 0.000 1.050 389 K CB 0.231 32.728 32.500 -0.004 0.000 0.889 389 K HN 0.309 nan 8.250 nan 0.000 0.484 390 T N 1.815 116.389 114.554 0.033 0.000 2.853 390 T HA 0.129 4.478 4.350 -0.003 0.000 0.311 390 T C 0.269 174.989 174.700 0.034 0.000 1.307 390 T CA -0.853 61.268 62.100 0.035 0.000 1.019 390 T CB 1.746 70.642 68.868 0.047 0.000 1.264 390 T HN 0.561 nan 8.240 nan 0.000 0.497 391 E N 0.495 120.712 120.200 0.028 0.000 2.364 391 E HA 0.093 4.441 4.350 -0.003 0.000 0.196 391 E C -0.037 176.580 176.600 0.029 0.000 0.990 391 E CA 0.157 56.572 56.400 0.025 0.000 0.886 391 E CB 0.314 30.025 29.700 0.018 0.000 0.866 391 E HN 0.312 nan 8.360 nan 0.000 0.493 392 N N 1.939 120.657 118.700 0.030 0.000 2.898 392 N HA 0.113 4.852 4.740 -0.003 0.000 0.245 392 N C -1.926 173.607 175.510 0.039 0.000 1.185 392 N CA -0.792 52.276 53.050 0.029 0.000 0.879 392 N CB 1.394 39.891 38.487 0.017 0.000 1.157 392 N HN 0.140 nan 8.380 nan 0.000 0.503 393 P HA 0.093 nan 4.420 nan 0.000 0.224 393 P C -0.221 177.125 177.300 0.077 0.000 1.159 393 P CA 0.334 63.479 63.100 0.074 0.000 0.824 393 P CB 0.538 32.294 31.700 0.094 0.000 0.833 394 D N 1.412 121.855 120.400 0.072 0.000 2.443 394 D HA 0.139 4.777 4.640 -0.003 0.000 0.234 394 D C 0.163 176.498 176.300 0.057 0.000 1.172 394 D CA 1.029 55.077 54.000 0.080 0.000 0.878 394 D CB 0.351 41.193 40.800 0.071 0.000 1.204 394 D HN 0.066 nan 8.370 nan 0.000 0.453 395 E N 0.903 121.155 120.200 0.087 0.000 2.281 395 E HA 0.188 4.536 4.350 -0.003 0.000 0.266 395 E C -1.545 175.104 176.600 0.081 0.000 0.893 395 E CA -0.656 55.771 56.400 0.046 0.000 0.798 395 E CB 0.910 30.662 29.700 0.087 0.000 1.245 395 E HN 0.167 nan 8.360 nan 0.000 0.410 396 D N 3.011 123.367 120.400 -0.072 0.000 2.225 396 D HA 0.254 4.892 4.640 -0.003 0.000 0.249 396 D C -0.579 175.530 176.300 -0.319 0.000 1.052 396 D CA 0.036 53.975 54.000 -0.101 0.000 0.909 396 D CB 1.005 41.738 40.800 -0.111 0.000 1.186 396 D HN 0.358 nan 8.370 nan 0.000 0.431 397 Y N 0.124 120.113 120.300 -0.518 0.000 2.553 397 Y HA 0.272 4.820 4.550 -0.003 0.000 0.347 397 Y C -0.060 175.470 175.900 -0.615 0.000 1.019 397 Y CA -0.737 56.946 58.100 -0.695 0.000 1.032 397 Y CB 2.166 39.842 38.460 -1.307 0.000 1.284 397 Y HN 0.174 nan 8.280 nan 0.000 0.466 398 E N 2.086 122.123 120.200 -0.271 0.000 2.343 398 E HA 0.507 4.856 4.350 -0.003 0.000 0.260 398 E C -1.741 174.769 176.600 -0.149 0.000 0.908 398 E CA -0.504 55.779 56.400 -0.196 0.000 0.814 398 E CB 2.167 31.772 29.700 -0.158 0.000 1.302 398 E HN 0.265 nan 8.360 nan 0.000 0.408 399 V N 2.823 122.666 119.914 -0.119 0.000 2.448 399 V HA 0.256 4.374 4.120 -0.003 0.000 0.295 399 V C -0.184 175.870 176.094 -0.066 0.000 1.025 399 V CA -0.833 61.410 62.300 -0.095 0.000 0.859 399 V CB 1.765 33.548 31.823 -0.065 0.000 0.988 399 V HN 0.578 nan 8.190 nan 0.000 0.431 400 E N 4.735 124.912 120.200 -0.039 0.000 2.081 400 E HA 0.498 4.846 4.350 -0.003 0.000 0.281 400 E C -1.235 175.477 176.600 0.187 0.000 0.986 400 E CA -0.514 55.938 56.400 0.087 0.000 0.796 400 E CB 1.684 31.403 29.700 0.032 0.000 1.085 400 E HN 0.457 nan 8.360 nan 0.000 0.398 401 I N 5.303 125.919 120.570 0.076 0.000 2.412 401 I HA 0.251 4.420 4.170 -0.003 0.000 0.296 401 I C -2.218 173.601 176.117 -0.497 0.000 0.987 401 I CA -2.598 58.625 61.300 -0.128 0.000 1.180 401 I CB 1.362 39.271 38.000 -0.152 0.000 1.340 401 I HN 0.290 nan 8.210 nan 0.000 0.455 402 P HA 0.333 nan 4.420 nan 0.000 0.285 402 P C -1.171 175.768 177.300 -0.602 0.000 1.259 402 P CA -0.306 62.128 63.100 -1.110 0.000 0.794 402 P CB 1.448 32.611 31.700 -0.895 0.000 0.940 403 V N 1.198 120.749 119.914 -0.606 0.000 2.841 403 V HA 0.507 4.625 4.120 -0.003 0.000 0.310 403 V C 0.940 176.624 176.094 -0.684 0.000 1.090 403 V CA -1.077 60.779 62.300 -0.741 0.000 0.930 403 V CB 2.320 33.571 31.823 -0.953 0.000 1.014 403 V HN 0.319 nan 8.190 nan 0.000 0.425 404 R N 1.742 121.835 120.500 -0.678 0.000 2.313 404 R HA 0.335 4.673 4.340 -0.003 0.000 0.199 404 R C -0.493 175.747 176.300 -0.100 0.000 0.958 404 R CA 0.544 56.493 56.100 -0.252 0.000 1.047 404 R CB -0.108 30.190 30.300 -0.003 0.000 0.955 404 R HN 0.759 nan 8.270 nan 0.000 0.481 405 F N -2.785 117.151 119.950 -0.023 0.000 2.593 405 F HA 0.489 5.014 4.527 -0.003 0.000 0.320 405 F C 1.124 176.922 175.800 -0.003 0.000 1.060 405 F CA -1.717 56.279 58.000 -0.007 0.000 0.940 405 F CB 1.042 40.042 39.000 0.001 0.000 1.268 405 F HN -0.422 nan 8.300 nan 0.000 0.475 406 R N -0.261 120.346 120.500 0.178 0.000 2.090 406 R HA 0.056 4.394 4.340 -0.003 0.000 0.219 406 R C -0.533 175.848 176.300 0.135 0.000 1.100 406 R CA 0.687 56.847 56.100 0.100 0.000 0.991 406 R CB -0.017 30.328 30.300 0.076 0.000 0.893 406 R HN 0.786 nan 8.270 nan 0.000 0.443 407 D N 0.795 121.304 120.400 0.181 0.000 2.347 407 D HA 0.191 4.829 4.640 -0.003 0.000 0.235 407 D C -1.351 175.092 176.300 0.239 0.000 1.149 407 D CA -0.102 53.994 54.000 0.160 0.000 0.850 407 D CB 1.577 42.443 40.800 0.110 0.000 1.061 407 D HN -0.131 nan 8.370 nan 0.000 0.487 408 V N 4.830 124.877 119.914 0.221 0.000 2.417 408 V HA 0.348 4.467 4.120 -0.003 0.000 0.291 408 V C -0.313 175.907 176.094 0.211 0.000 1.024 408 V CA -1.041 61.419 62.300 0.265 0.000 0.861 408 V CB 1.268 33.222 31.823 0.218 0.000 0.985 408 V HN 0.387 nan 8.190 nan 0.000 0.436 409 F N 6.485 126.475 119.950 0.066 0.000 2.405 409 F HA 0.659 5.184 4.527 -0.003 0.000 0.355 409 F C -0.253 175.571 175.800 0.039 0.000 1.121 409 F CA -0.911 57.105 58.000 0.028 0.000 1.112 409 F CB 0.697 39.690 39.000 -0.011 0.000 1.126 409 F HN 0.343 nan 8.300 nan 0.000 0.481 410 I N 6.873 127.006 120.570 -0.728 0.000 2.362 410 I HA 0.304 4.472 4.170 -0.003 0.000 0.289 410 I C -0.587 175.055 176.117 -0.791 0.000 0.994 410 I CA -0.795 60.169 61.300 -0.560 0.000 1.158 410 I CB 1.535 39.411 38.000 -0.206 0.000 1.315 410 I HN 0.528 nan 8.210 nan 0.000 0.451 411 K N 7.509 127.550 120.400 -0.598 0.000 2.307 411 K HA 0.508 4.826 4.320 -0.003 0.000 0.263 411 K C -0.823 175.537 176.600 -0.400 0.000 0.973 411 K CA -0.705 55.315 56.287 -0.446 0.000 0.846 411 K CB 1.505 33.854 32.500 -0.252 0.000 1.100 411 K HN 0.576 nan 8.250 nan 0.000 0.438 412 R N 3.610 123.839 120.500 -0.451 0.000 2.534 412 R HA 0.263 4.601 4.340 -0.003 0.000 0.301 412 R C -1.151 174.839 176.300 -0.518 0.000 0.961 412 R CA -0.465 55.232 56.100 -0.671 0.000 0.871 412 R CB 1.477 31.270 30.300 -0.845 0.000 1.170 412 R HN 0.665 nan 8.270 nan 0.000 0.446 413 Q N 3.735 123.179 119.800 -0.593 0.000 2.375 413 Q HA 0.483 4.821 4.340 -0.003 0.000 0.271 413 Q C -1.509 174.267 176.000 -0.373 0.000 1.074 413 Q CA -0.992 54.554 55.803 -0.428 0.000 0.808 413 Q CB 2.811 31.279 28.738 -0.450 0.000 1.327 413 Q HN 0.334 nan 8.270 nan 0.000 0.441 414 L N 4.347 125.500 121.223 -0.117 0.000 2.493 414 L HA 0.611 4.949 4.340 -0.003 0.000 0.265 414 L C -1.644 175.294 176.870 0.114 0.000 0.954 414 L CA -0.658 54.173 54.840 -0.014 0.000 0.844 414 L CB 1.860 43.815 42.059 -0.173 0.000 1.302 414 L HN 0.813 nan 8.230 nan 0.000 0.405 415 I N 1.662 122.363 120.570 0.218 0.000 2.646 415 I HA 0.867 5.035 4.170 -0.003 0.000 0.299 415 I C -1.033 175.212 176.117 0.213 0.000 1.036 415 I CA -0.369 61.047 61.300 0.195 0.000 1.074 415 I CB 2.249 40.337 38.000 0.146 0.000 1.258 415 I HN 0.628 nan 8.210 nan 0.000 0.430 416 D N 2.506 123.047 120.400 0.234 0.000 2.992 416 D HA 0.102 4.740 4.640 -0.003 0.000 0.349 416 D C 0.257 176.678 176.300 0.202 0.000 1.393 416 D CA -0.456 53.680 54.000 0.227 0.000 0.887 416 D CB 0.314 41.258 40.800 0.240 0.000 1.447 416 D HN 0.439 nan 8.370 nan 0.000 0.524 417 E N -0.530 119.780 120.200 0.185 0.000 2.267 417 E HA -0.126 4.223 4.350 -0.003 0.000 0.197 417 E C 0.715 177.358 176.600 0.072 0.000 0.998 417 E CA 1.302 57.791 56.400 0.148 0.000 0.830 417 E CB 0.068 29.853 29.700 0.142 0.000 0.751 417 E HN 0.435 nan 8.360 nan 0.000 0.491 418 E N -0.834 119.382 120.200 0.027 0.000 2.473 418 E HA 0.085 4.433 4.350 -0.003 0.000 0.204 418 E C -0.513 175.798 176.600 -0.483 0.000 0.994 418 E CA 0.214 56.491 56.400 -0.204 0.000 0.945 418 E CB 0.425 29.958 29.700 -0.277 0.000 0.990 418 E HN 0.254 nan 8.360 nan 0.000 0.493 419 H N -1.395 117.724 119.070 0.080 0.000 2.744 419 H HA 0.515 5.069 4.556 -0.003 0.000 0.339 419 H C 0.459 175.829 175.328 0.070 0.000 1.004 419 H CA -0.455 55.631 56.048 0.064 0.000 1.257 419 H CB 1.840 31.628 29.762 0.044 0.000 1.552 419 H HN 0.071 nan 8.280 nan 0.000 0.522 420 G N 3.046 111.935 108.800 0.148 0.000 2.225 420 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.264 420 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.264 420 G C -0.117 174.893 174.900 0.182 0.000 1.060 420 G CA 0.297 45.489 45.100 0.154 0.000 0.833 420 G HN 0.812 nan 8.290 nan 0.000 0.498 421 N N 0.456 119.238 118.700 0.136 0.000 2.976 421 N HA 0.354 5.092 4.740 -0.003 0.000 0.255 421 N C -0.576 174.987 175.510 0.088 0.000 1.312 421 N CA -1.662 51.465 53.050 0.128 0.000 0.897 421 N CB 1.189 39.746 38.487 0.117 0.000 1.184 421 N HN 0.111 nan 8.380 nan 0.000 0.497 422 P HA -0.154 nan 4.420 nan 0.000 0.218 422 P C 1.282 178.587 177.300 0.009 0.000 1.148 422 P CA 0.740 63.931 63.100 0.152 0.000 0.822 422 P CB 0.018 31.919 31.700 0.335 0.000 0.784 423 W N 2.060 123.026 121.300 -0.556 0.000 2.335 423 W HA -0.099 4.559 4.660 -0.003 0.000 0.311 423 W C 2.436 178.858 176.519 -0.161 0.000 1.213 423 W CA 2.704 59.636 57.345 -0.688 0.000 1.274 423 W CB -1.431 27.655 29.460 -0.622 0.000 1.148 423 W HN -0.054 nan 8.180 nan 0.000 0.498 424 G N -0.597 108.053 108.800 -0.250 0.000 2.446 424 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.217 424 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.217 424 G C 1.479 175.954 174.900 -0.708 0.000 1.168 424 G CA 1.831 46.602 45.100 -0.550 0.000 0.771 424 G HN 0.316 nan 8.290 nan 0.000 0.551 425 T N -0.248 114.101 114.554 -0.341 0.000 2.746 425 T HA -0.150 4.198 4.350 -0.003 0.000 0.267 425 T C 1.810 176.496 174.700 -0.024 0.000 1.039 425 T CA 1.360 63.353 62.100 -0.178 0.000 1.142 425 T CB -0.269 68.634 68.868 0.059 0.000 0.866 425 T HN 0.535 nan 8.240 nan 0.000 0.444 426 W N 1.806 123.042 121.300 -0.107 0.000 2.321 426 W HA -0.105 4.554 4.660 -0.003 0.000 0.306 426 W C 1.689 178.161 176.519 -0.078 0.000 1.217 426 W CA 0.788 58.144 57.345 0.018 0.000 1.257 426 W CB -0.634 28.968 29.460 0.236 0.000 1.145 426 W HN 0.216 nan 8.180 nan 0.000 0.509 427 I N -0.455 119.929 120.570 -0.309 0.000 2.286 427 I HA -0.343 3.825 4.170 -0.003 0.000 0.248 427 I C 2.235 178.185 176.117 -0.278 0.000 1.115 427 I CA 1.761 62.753 61.300 -0.514 0.000 1.392 427 I CB -0.785 36.878 38.000 -0.561 0.000 1.065 427 I HN 0.075 nan 8.210 nan 0.000 0.418 428 H N 0.122 119.067 119.070 -0.207 0.000 2.489 428 H HA -0.087 4.468 4.556 -0.003 0.000 0.293 428 H C 2.011 177.260 175.328 -0.132 0.000 1.066 428 H CA 0.808 56.769 56.048 -0.146 0.000 1.305 428 H CB -0.002 29.706 29.762 -0.090 0.000 1.386 428 H HN 0.360 nan 8.280 nan 0.000 0.551 429 M N -0.854 118.726 119.600 -0.034 0.000 2.556 429 M HA 0.177 4.656 4.480 -0.003 0.000 0.245 429 M C 1.225 177.442 176.300 -0.139 0.000 1.128 429 M CA 0.726 55.993 55.300 -0.056 0.000 1.069 429 M CB 1.051 33.645 32.600 -0.011 0.000 1.469 429 M HN 0.412 nan 8.290 nan 0.000 0.494 430 G N 1.481 110.138 108.800 -0.238 0.000 2.138 430 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.193 430 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.193 430 G C 0.161 174.810 174.900 -0.419 0.000 0.998 430 G CA -0.281 44.666 45.100 -0.255 0.000 0.668 430 G HN 0.440 nan 8.290 nan 0.000 0.516 431 R N -1.526 118.492 120.500 -0.802 0.000 3.267 431 R HA -0.138 4.200 4.340 -0.003 0.000 0.254 431 R C -2.132 173.840 176.300 -0.546 0.000 0.993 431 R CA 0.866 56.114 56.100 -1.420 0.000 0.670 431 R CB -1.869 27.764 30.300 -1.112 0.000 1.125 431 R HN 0.556 nan 8.270 nan 0.000 0.434 432 P HA -0.035 nan 4.420 nan 0.000 0.268 432 P C 0.169 177.582 177.300 0.188 0.000 1.204 432 P CA 0.215 63.334 63.100 0.031 0.000 0.768 432 P CB 0.583 32.325 31.700 0.069 0.000 0.842 433 R N 2.025 122.452 120.500 -0.122 0.000 2.127 433 R HA 0.014 4.352 4.340 -0.003 0.000 0.217 433 R C 0.345 176.208 176.300 -0.728 0.000 1.074 433 R CA 1.279 57.080 56.100 -0.498 0.000 0.991 433 R CB -0.112 29.578 30.300 -1.016 0.000 0.895 433 R HN 0.585 nan 8.270 nan 0.000 0.450 434 Y N 1.557 121.915 120.300 0.098 0.000 2.562 434 Y HA 0.303 4.851 4.550 -0.003 0.000 0.363 434 Y C -2.050 173.884 175.900 0.057 0.000 0.991 434 Y CA -2.595 55.537 58.100 0.053 0.000 1.121 434 Y CB 0.314 38.791 38.460 0.028 0.000 1.159 434 Y HN -0.019 nan 8.280 nan 0.000 0.651 435 P HA -0.033 nan 4.420 nan 0.000 0.267 435 P C 0.310 177.667 177.300 0.095 0.000 1.195 435 P CA 0.319 63.489 63.100 0.117 0.000 0.773 435 P CB 1.227 32.999 31.700 0.120 0.000 0.837 436 S N 1.421 117.167 115.700 0.077 0.000 2.617 436 S HA 0.133 4.601 4.470 -0.003 0.000 0.259 436 S C 1.237 175.863 174.600 0.043 0.000 1.301 436 S CA -0.475 57.759 58.200 0.057 0.000 0.984 436 S CB 0.726 63.955 63.200 0.048 0.000 0.954 436 S HN 0.392 nan 8.310 nan 0.000 0.572 437 K N 0.369 120.787 120.400 0.030 0.000 2.097 437 K HA -0.163 4.155 4.320 -0.003 0.000 0.206 437 K C 2.161 178.774 176.600 0.022 0.000 1.049 437 K CA 1.665 57.963 56.287 0.018 0.000 0.933 437 K CB -0.289 32.218 32.500 0.012 0.000 0.717 437 K HN 0.762 nan 8.250 nan 0.000 0.442 438 E N 1.639 121.855 120.200 0.027 0.000 2.051 438 E HA -0.209 4.139 4.350 -0.003 0.000 0.192 438 E C 1.934 178.558 176.600 0.040 0.000 0.991 438 E CA 1.612 58.030 56.400 0.030 0.000 0.799 438 E CB 0.036 29.754 29.700 0.029 0.000 0.748 438 E HN 0.270 nan 8.360 nan 0.000 0.449 439 Q N -0.493 119.338 119.800 0.051 0.000 2.119 439 Q HA -0.085 4.254 4.340 -0.003 0.000 0.201 439 Q C 2.297 178.340 176.000 0.072 0.000 0.972 439 Q CA 1.463 57.309 55.803 0.071 0.000 0.847 439 Q CB 0.067 28.858 28.738 0.089 0.000 0.903 439 Q HN 0.211 nan 8.270 nan 0.000 0.433 440 V N 1.470 121.413 119.914 0.048 0.000 2.515 440 V HA -0.249 3.869 4.120 -0.003 0.000 0.250 440 V C 1.934 178.039 176.094 0.018 0.000 1.058 440 V CA 1.901 64.214 62.300 0.022 0.000 1.064 440 V CB -0.636 31.182 31.823 -0.007 0.000 0.675 440 V HN 0.424 nan 8.190 nan 0.000 0.461 441 N N 0.019 118.732 118.700 0.022 0.000 2.188 441 N HA -0.155 4.584 4.740 -0.003 0.000 0.184 441 N C 1.748 177.280 175.510 0.037 0.000 1.018 441 N CA 1.909 54.971 53.050 0.020 0.000 0.858 441 N CB -0.157 38.341 38.487 0.018 0.000 0.989 441 N HN 0.394 nan 8.380 nan 0.000 0.426 442 T N 0.501 115.087 114.554 0.052 0.000 2.777 442 T HA -0.003 4.345 4.350 -0.003 0.000 0.266 442 T C 1.783 176.533 174.700 0.084 0.000 1.040 442 T CA 0.876 63.016 62.100 0.066 0.000 1.141 442 T CB -0.210 68.701 68.868 0.072 0.000 0.868 442 T HN 0.163 nan 8.240 nan 0.000 0.444 443 L N 0.510 121.792 121.223 0.099 0.000 2.046 443 L HA -0.068 4.270 4.340 -0.003 0.000 0.208 443 L C 2.852 179.785 176.870 0.105 0.000 1.077 443 L CA 1.346 56.265 54.840 0.132 0.000 0.747 443 L CB -0.494 41.659 42.059 0.155 0.000 0.896 443 L HN 0.134 nan 8.230 nan 0.000 0.432 444 R N 0.413 120.949 120.500 0.060 0.000 2.091 444 R HA -0.199 4.139 4.340 -0.003 0.000 0.238 444 R C 2.143 178.485 176.300 0.072 0.000 1.136 444 R CA 1.686 57.811 56.100 0.041 0.000 0.959 444 R CB -0.083 30.213 30.300 -0.007 0.000 0.856 444 R HN 0.426 nan 8.270 nan 0.000 0.437 445 E N -0.563 119.677 120.200 0.068 0.000 2.110 445 E HA -0.148 4.200 4.350 -0.003 0.000 0.193 445 E C 1.886 178.539 176.600 0.088 0.000 0.988 445 E CA 1.317 57.761 56.400 0.072 0.000 0.804 445 E CB 0.161 29.897 29.700 0.060 0.000 0.745 445 E HN 0.171 nan 8.360 nan 0.000 0.458 446 V N 1.041 121.014 119.914 0.098 0.000 2.591 446 V HA -0.078 4.040 4.120 -0.003 0.000 0.249 446 V C 1.586 177.759 176.094 0.132 0.000 1.053 446 V CA 1.179 63.541 62.300 0.104 0.000 1.068 446 V CB -0.230 31.656 31.823 0.105 0.000 0.689 446 V HN 0.205 nan 8.190 nan 0.000 0.462 447 A N 0.716 123.633 122.820 0.162 0.000 2.626 447 A HA 0.133 4.451 4.320 -0.003 0.000 0.238 447 A C 0.546 178.327 177.584 0.329 0.000 1.641 447 A CA 0.573 52.754 52.037 0.241 0.000 1.449 447 A CB -0.786 18.341 19.000 0.212 0.000 0.888 447 A HN 0.535 nan 8.150 nan 0.000 0.628 448 K N 0.581 121.074 120.400 0.154 0.000 2.508 448 K HA 0.474 4.792 4.320 -0.003 0.000 0.260 448 K C -3.103 173.371 176.600 -0.209 0.000 0.949 448 K CA -2.033 54.217 56.287 -0.062 0.000 0.834 448 K CB 2.753 35.280 32.500 0.045 0.000 1.365 448 K HN 0.074 nan 8.250 nan 0.000 0.437 449 P HA 0.044 nan 4.420 nan 0.000 0.276 449 P C -1.042 176.221 177.300 -0.061 0.000 1.252 449 P CA -0.270 62.710 63.100 -0.200 0.000 0.802 449 P CB 0.767 32.369 31.700 -0.163 0.000 1.035 450 E N 1.027 121.203 120.200 -0.040 0.000 2.259 450 E HA 0.275 4.624 4.350 -0.003 0.000 0.281 450 E C -0.862 175.663 176.600 -0.126 0.000 1.037 450 E CA -0.546 55.800 56.400 -0.089 0.000 0.854 450 E CB 0.202 29.727 29.700 -0.293 0.000 1.051 450 E HN 0.231 nan 8.360 nan 0.000 0.409 451 I N 5.109 125.623 120.570 -0.092 0.000 2.404 451 I HA 0.319 4.487 4.170 -0.003 0.000 0.293 451 I C -0.049 176.001 176.117 -0.112 0.000 0.992 451 I CA -0.099 61.135 61.300 -0.109 0.000 1.149 451 I CB 1.473 39.440 38.000 -0.056 0.000 1.315 451 I HN 0.508 nan 8.210 nan 0.000 0.446 452 M N 5.352 124.855 119.600 -0.162 0.000 2.267 452 M HA 0.427 4.906 4.480 -0.003 0.000 0.289 452 M C -0.639 175.559 176.300 -0.169 0.000 1.043 452 M CA -0.593 54.622 55.300 -0.141 0.000 0.928 452 M CB 2.499 35.004 32.600 -0.159 0.000 1.613 452 M HN 0.698 nan 8.290 nan 0.000 0.450 453 T N -0.336 114.152 114.554 -0.110 0.000 2.950 453 T HA 0.948 5.297 4.350 -0.003 0.000 0.288 453 T C -0.179 174.461 174.700 -0.100 0.000 1.035 453 T CA -0.551 61.456 62.100 -0.155 0.000 1.028 453 T CB 2.011 70.874 68.868 -0.008 0.000 1.109 453 T HN 0.839 nan 8.240 nan 0.000 0.514 454 S N 0.382 115.993 115.700 -0.149 0.000 2.683 454 S HA 0.636 5.104 4.470 -0.003 0.000 0.269 454 S C -1.969 172.615 174.600 -0.027 0.000 1.165 454 S CA -1.095 57.078 58.200 -0.044 0.000 0.840 454 S CB 1.274 64.451 63.200 -0.038 0.000 1.169 454 S HN 1.365 nan 8.310 nan 0.000 0.490 455 Q N 0.015 119.836 119.800 0.035 0.000 2.281 455 Q HA 0.856 5.195 4.340 -0.003 0.000 0.263 455 Q C -3.324 172.712 176.000 0.059 0.000 0.989 455 Q CA -0.983 54.864 55.803 0.074 0.000 0.852 455 Q CB 2.436 31.258 28.738 0.140 0.000 1.337 455 Q HN 0.637 nan 8.270 nan 0.000 0.418 456 P HA 0.623 nan 4.420 nan 0.000 0.300 456 P C -1.335 176.001 177.300 0.060 0.000 1.306 456 P CA -0.800 62.329 63.100 0.048 0.000 1.113 456 P CB 2.203 33.923 31.700 0.033 0.000 1.615 457 V N 0.117 120.059 119.914 0.047 0.000 2.513 457 V HA 0.662 4.780 4.120 -0.003 0.000 0.299 457 V C 0.590 176.703 176.094 0.032 0.000 1.035 457 V CA -0.751 61.579 62.300 0.049 0.000 0.889 457 V CB 1.193 33.041 31.823 0.043 0.000 0.988 457 V HN 0.865 nan 8.190 nan 0.000 0.440 458 A N 3.341 126.176 122.820 0.025 0.000 2.286 458 A HA 0.563 4.882 4.320 -0.003 0.000 0.286 458 A C 0.042 177.636 177.584 0.018 0.000 1.097 458 A CA -0.496 51.544 52.037 0.004 0.000 0.821 458 A CB 0.437 19.409 19.000 -0.048 0.000 1.076 458 A HN 0.814 nan 8.150 nan 0.000 0.490 459 N N 1.220 119.938 118.700 0.031 0.000 2.442 459 N HA 0.168 4.906 4.740 -0.003 0.000 0.274 459 N C -1.227 174.315 175.510 0.054 0.000 1.002 459 N CA -0.175 52.894 53.050 0.032 0.000 0.910 459 N CB 0.860 39.360 38.487 0.021 0.000 1.244 459 N HN 0.626 nan 8.380 nan 0.000 0.492 460 D N 3.376 123.801 120.400 0.043 0.000 2.737 460 D HA -0.159 4.479 4.640 -0.003 0.000 0.238 460 D C 0.902 177.271 176.300 0.115 0.000 1.157 460 D CA 1.497 55.532 54.000 0.058 0.000 0.694 460 D CB -1.081 39.745 40.800 0.042 0.000 1.021 460 D HN 1.046 nan 8.370 nan 0.000 0.420 461 G N -0.507 108.322 108.800 0.048 0.000 2.175 461 G HA2 -0.355 3.604 3.960 -0.003 0.000 0.265 461 G HA3 -0.355 3.604 3.960 -0.003 0.000 0.265 461 G C -0.052 174.779 174.900 -0.114 0.000 0.979 461 G CA 0.882 45.967 45.100 -0.026 0.000 0.663 461 G HN 0.509 nan 8.290 nan 0.000 0.533 462 Y N -1.246 118.998 120.300 -0.093 0.000 2.477 462 Y HA 0.720 5.269 4.550 -0.003 0.000 0.347 462 Y C 0.088 175.934 175.900 -0.090 0.000 0.981 462 Y CA -1.018 57.024 58.100 -0.097 0.000 1.033 462 Y CB 1.921 40.333 38.460 -0.079 0.000 1.245 462 Y HN 0.146 nan 8.280 nan 0.000 0.455 463 L N 3.693 124.927 121.223 0.019 0.000 2.365 463 L HA 0.504 4.842 4.340 -0.003 0.000 0.273 463 L C -1.077 175.800 176.870 0.013 0.000 1.000 463 L CA -0.693 54.143 54.840 -0.006 0.000 0.819 463 L CB 1.544 43.566 42.059 -0.062 0.000 1.284 463 L HN 0.680 nan 8.230 nan 0.000 0.418 464 N N 5.245 123.947 118.700 0.003 0.000 2.419 464 N HA 0.430 5.169 4.740 -0.003 0.000 0.277 464 N C -1.363 174.126 175.510 -0.036 0.000 1.006 464 N CA -0.371 52.670 53.050 -0.015 0.000 0.923 464 N CB 1.437 39.913 38.487 -0.018 0.000 1.140 464 N HN 0.542 nan 8.380 nan 0.000 0.488 465 L N 2.627 123.814 121.223 -0.061 0.000 2.322 465 L HA 0.481 4.819 4.340 -0.003 0.000 0.281 465 L C 0.306 177.164 176.870 -0.019 0.000 1.014 465 L CA -0.615 54.189 54.840 -0.060 0.000 0.815 465 L CB 1.722 43.659 42.059 -0.203 0.000 1.247 465 L HN 0.290 nan 8.230 nan 0.000 0.421 466 K N 4.170 124.599 120.400 0.049 0.000 2.463 466 K HA 0.639 4.957 4.320 -0.003 0.000 0.255 466 K C -1.512 175.178 176.600 0.151 0.000 0.942 466 K CA -0.473 55.810 56.287 -0.006 0.000 0.814 466 K CB 1.693 34.188 32.500 -0.009 0.000 1.122 466 K HN 0.432 nan 8.250 nan 0.000 0.425 467 F N 0.262 120.244 119.950 0.053 0.000 2.668 467 F HA 0.515 5.040 4.527 -0.003 0.000 0.309 467 F C -1.470 174.400 175.800 0.118 0.000 1.117 467 F CA -1.198 56.856 58.000 0.089 0.000 0.951 467 F CB 1.177 40.257 39.000 0.134 0.000 1.323 467 F HN 0.128 nan 8.300 nan 0.000 0.451 468 K N 2.789 123.386 120.400 0.328 0.000 2.323 468 K HA 0.608 4.926 4.320 -0.003 0.000 0.259 468 K C -1.818 174.973 176.600 0.319 0.000 0.947 468 K CA -0.611 55.818 56.287 0.236 0.000 0.819 468 K CB 1.543 34.127 32.500 0.140 0.000 1.109 468 K HN 0.902 nan 8.250 nan 0.000 0.429 469 L N 4.110 125.525 121.223 0.320 0.000 2.264 469 L HA 0.337 4.675 4.340 -0.003 0.000 0.289 469 L C 1.014 178.005 176.870 0.201 0.000 1.044 469 L CA -0.628 54.377 54.840 0.275 0.000 0.807 469 L CB 1.385 43.619 42.059 0.293 0.000 1.192 469 L HN 0.877 nan 8.230 nan 0.000 0.425 470 G N 2.709 111.618 108.800 0.182 0.000 2.525 470 G HA2 0.053 4.012 3.960 -0.003 0.000 0.276 470 G HA3 0.053 4.012 3.960 -0.003 0.000 0.276 470 G C -0.254 174.748 174.900 0.171 0.000 1.388 470 G CA -0.552 44.646 45.100 0.162 0.000 1.050 470 G HN 0.612 nan 8.290 nan 0.000 0.520 471 K N 0.575 121.073 120.400 0.163 0.000 2.412 471 K HA 0.005 4.323 4.320 -0.003 0.000 0.284 471 K C 0.063 176.791 176.600 0.213 0.000 1.046 471 K CA 0.033 56.428 56.287 0.179 0.000 0.999 471 K CB -0.079 32.517 32.500 0.161 0.000 0.941 471 K HN 0.495 nan 8.250 nan 0.000 0.474 472 N N 0.663 119.509 118.700 0.243 0.000 2.747 472 N HA -0.206 4.532 4.740 -0.003 0.000 0.249 472 N C -0.881 174.772 175.510 0.239 0.000 1.107 472 N CA 1.144 54.351 53.050 0.262 0.000 0.707 472 N CB -1.341 37.321 38.487 0.290 0.000 1.054 472 N HN 0.670 nan 8.380 nan 0.000 0.555 473 A N -0.337 122.624 122.820 0.235 0.000 2.286 473 A HA 0.701 5.019 4.320 -0.003 0.000 0.286 473 A C 0.372 178.110 177.584 0.256 0.000 1.097 473 A CA -0.202 51.970 52.037 0.225 0.000 0.821 473 A CB 1.252 20.370 19.000 0.197 0.000 1.076 473 A HN 0.081 nan 8.150 nan 0.000 0.490 474 V N 1.310 121.376 119.914 0.252 0.000 2.612 474 V HA 0.498 4.617 4.120 -0.003 0.000 0.301 474 V C -0.642 175.608 176.094 0.261 0.000 1.059 474 V CA -0.530 61.959 62.300 0.314 0.000 0.886 474 V CB 1.269 33.301 31.823 0.348 0.000 1.007 474 V HN 0.820 nan 8.190 nan 0.000 0.426 475 V N 6.275 126.238 119.914 0.082 0.000 2.769 475 V HA 0.688 4.806 4.120 -0.003 0.000 0.312 475 V C -1.084 174.806 176.094 -0.339 0.000 1.061 475 V CA -0.602 61.581 62.300 -0.195 0.000 0.931 475 V CB 2.038 33.640 31.823 -0.369 0.000 1.010 475 V HN 0.758 nan 8.190 nan 0.000 0.433 476 L N 5.969 126.786 121.223 -0.676 0.000 2.385 476 L HA 0.630 4.969 4.340 -0.003 0.000 0.273 476 L C -1.998 174.517 176.870 -0.593 0.000 0.990 476 L CA -0.521 53.906 54.840 -0.690 0.000 0.821 476 L CB 1.977 43.311 42.059 -1.207 0.000 1.279 476 L HN 0.768 nan 8.230 nan 0.000 0.412 477 Y N 2.717 122.764 120.300 -0.421 0.000 2.361 477 Y HA 0.401 4.949 4.550 -0.003 0.000 0.337 477 Y C -0.373 175.373 175.900 -0.258 0.000 0.965 477 Y CA -0.590 57.307 58.100 -0.337 0.000 1.091 477 Y CB 2.104 40.380 38.460 -0.307 0.000 1.182 477 Y HN 0.497 nan 8.280 nan 0.000 0.450 478 E N 4.798 124.945 120.200 -0.089 0.000 2.191 478 E HA 0.519 4.868 4.350 -0.003 0.000 0.263 478 E C -1.478 175.102 176.600 -0.034 0.000 0.881 478 E CA -0.635 55.726 56.400 -0.064 0.000 0.757 478 E CB 1.759 31.411 29.700 -0.080 0.000 1.147 478 E HN 0.491 nan 8.360 nan 0.000 0.414 479 L N 3.014 124.257 121.223 0.034 0.000 2.316 479 L HA 0.492 4.830 4.340 -0.003 0.000 0.280 479 L C 0.002 177.004 176.870 0.220 0.000 1.006 479 L CA -0.729 54.173 54.840 0.103 0.000 0.836 479 L CB 1.217 43.335 42.059 0.099 0.000 1.221 479 L HN 0.521 nan 8.230 nan 0.000 0.418 480 T N -1.624 113.040 114.554 0.183 0.000 2.916 480 T HA 0.363 4.711 4.350 -0.003 0.000 0.292 480 T C -0.405 174.153 174.700 -0.236 0.000 1.055 480 T CA -0.886 61.213 62.100 -0.002 0.000 1.009 480 T CB 2.245 71.130 68.868 0.029 0.000 1.118 480 T HN 0.564 nan 8.240 nan 0.000 0.497 481 E N 0.975 120.590 120.200 -0.975 0.000 2.465 481 E HA 0.033 4.381 4.350 -0.003 0.000 0.260 481 E C -0.019 176.435 176.600 -0.243 0.000 0.980 481 E CA -0.288 55.584 56.400 -0.879 0.000 0.927 481 E CB 0.541 29.660 29.700 -0.968 0.000 0.934 481 E HN 0.502 nan 8.360 nan 0.000 0.459 482 R N 5.687 126.157 120.500 -0.050 0.000 2.207 482 R HA 0.247 4.585 4.340 -0.003 0.000 0.334 482 R C -0.661 175.626 176.300 -0.023 0.000 1.013 482 R CA -0.421 55.684 56.100 0.009 0.000 0.858 482 R CB 0.396 30.758 30.300 0.104 0.000 1.094 482 R HN 0.558 nan 8.270 nan 0.000 0.457 483 I N 4.297 124.833 120.570 -0.056 0.000 2.307 483 I HA 0.082 4.250 4.170 -0.003 0.000 0.287 483 I C -0.202 175.900 176.117 -0.024 0.000 1.054 483 I CA -0.624 60.652 61.300 -0.040 0.000 1.218 483 I CB 1.188 39.153 38.000 -0.058 0.000 1.398 483 I HN 0.505 nan 8.210 nan 0.000 0.475 484 D N 5.735 126.136 120.400 0.001 0.000 2.348 484 D HA 0.067 4.705 4.640 -0.003 0.000 0.253 484 D C 0.600 176.920 176.300 0.033 0.000 1.161 484 D CA 0.405 54.416 54.000 0.018 0.000 0.876 484 D CB 1.017 41.834 40.800 0.028 0.000 1.160 484 D HN 0.499 nan 8.370 nan 0.000 0.459 485 E N 1.191 121.430 120.200 0.066 0.000 2.526 485 E HA 0.045 4.393 4.350 -0.003 0.000 0.208 485 E C 1.460 178.193 176.600 0.222 0.000 0.997 485 E CA -0.070 56.389 56.400 0.100 0.000 0.961 485 E CB 0.443 30.200 29.700 0.095 0.000 1.030 485 E HN 0.332 nan 8.360 nan 0.000 0.483 486 S N 1.062 116.884 115.700 0.203 0.000 2.392 486 S HA -0.236 4.232 4.470 -0.003 0.000 0.232 486 S C 2.106 176.860 174.600 0.256 0.000 1.041 486 S CA 1.654 59.996 58.200 0.236 0.000 1.026 486 S CB -0.303 62.934 63.200 0.062 0.000 0.845 486 S HN 0.415 nan 8.310 nan 0.000 0.465 487 S N 1.682 117.462 115.700 0.133 0.000 2.469 487 S HA -0.127 4.341 4.470 -0.003 0.000 0.238 487 S C 1.714 176.351 174.600 0.062 0.000 0.998 487 S CA 1.484 59.733 58.200 0.083 0.000 0.957 487 S CB -0.915 62.311 63.200 0.043 0.000 0.764 487 S HN 0.707 nan 8.310 nan 0.000 0.514 488 T N -2.508 112.068 114.554 0.036 0.000 3.129 488 T HA 0.208 4.557 4.350 -0.003 0.000 0.251 488 T C -0.078 174.514 174.700 -0.179 0.000 1.117 488 T CA -0.301 61.735 62.100 -0.107 0.000 1.034 488 T CB -0.650 68.085 68.868 -0.222 0.000 0.968 488 T HN 0.428 nan 8.240 nan 0.000 0.526 489 Y N 1.928 122.219 120.300 -0.016 0.000 2.594 489 Y HA 0.479 5.027 4.550 -0.003 0.000 0.342 489 Y C 0.543 176.435 175.900 -0.013 0.000 1.010 489 Y CA -2.020 56.071 58.100 -0.016 0.000 1.270 489 Y CB -0.314 38.134 38.460 -0.020 0.000 1.125 489 Y HN 0.154 nan 8.280 nan 0.000 0.513 490 I N 3.403 124.021 120.570 0.080 0.000 2.828 490 I HA -0.047 4.121 4.170 -0.003 0.000 0.292 490 I C 1.343 177.496 176.117 0.061 0.000 1.206 490 I CA 1.147 62.478 61.300 0.052 0.000 1.420 490 I CB -0.077 37.935 38.000 0.021 0.000 1.368 490 I HN 0.994 nan 8.210 nan 0.000 0.556 491 G N 5.257 114.086 108.800 0.049 0.000 2.159 491 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.256 491 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.256 491 G C 0.346 175.267 174.900 0.035 0.000 0.977 491 G CA -0.361 44.761 45.100 0.037 0.000 0.652 491 G HN 0.582 nan 8.290 nan 0.000 0.531 492 L N 0.701 121.954 121.223 0.051 0.000 2.559 492 L HA 0.419 4.757 4.340 -0.003 0.000 0.282 492 L C -0.201 176.666 176.870 -0.005 0.000 1.232 492 L CA 1.459 56.309 54.840 0.016 0.000 0.885 492 L CB 0.671 42.740 42.059 0.017 0.000 1.131 492 L HN 0.300 nan 8.230 nan 0.000 0.498 493 D N 2.522 122.906 120.400 -0.026 0.000 2.329 493 D HA 0.078 4.717 4.640 -0.003 0.000 0.217 493 D C 0.206 176.489 176.300 -0.029 0.000 1.317 493 D CA -0.460 53.529 54.000 -0.018 0.000 0.928 493 D CB 0.632 41.433 40.800 0.001 0.000 1.544 493 D HN 0.473 nan 8.370 nan 0.000 0.499 494 D N 0.407 120.776 120.400 -0.051 0.000 2.221 494 D HA -0.153 4.485 4.640 -0.003 0.000 0.204 494 D C 1.971 178.278 176.300 0.012 0.000 0.982 494 D CA 1.477 55.430 54.000 -0.078 0.000 0.857 494 D CB 0.024 40.750 40.800 -0.123 0.000 0.934 494 D HN 0.482 nan 8.370 nan 0.000 0.475 495 S N 0.137 115.865 115.700 0.047 0.000 2.469 495 S HA -0.099 4.369 4.470 -0.003 0.000 0.238 495 S C 1.467 176.112 174.600 0.075 0.000 0.998 495 S CA 0.547 58.798 58.200 0.085 0.000 0.957 495 S CB -0.193 63.041 63.200 0.056 0.000 0.764 495 S HN 0.175 nan 8.310 nan 0.000 0.514 496 K N 0.679 121.106 120.400 0.046 0.000 2.522 496 K HA 0.324 4.642 4.320 -0.003 0.000 0.194 496 K C -0.298 176.333 176.600 0.051 0.000 1.026 496 K CA 0.112 56.423 56.287 0.039 0.000 1.119 496 K CB -0.118 32.394 32.500 0.020 0.000 0.856 496 K HN 0.503 nan 8.250 nan 0.000 0.513 497 I N 1.540 122.166 120.570 0.092 0.000 2.441 497 I HA 0.079 4.247 4.170 -0.003 0.000 0.295 497 I C -0.438 175.822 176.117 0.239 0.000 0.994 497 I CA -1.155 60.227 61.300 0.136 0.000 1.144 497 I CB 1.520 39.561 38.000 0.067 0.000 1.314 497 I HN 0.009 nan 8.210 nan 0.000 0.445 498 N N 4.214 123.014 118.700 0.167 0.000 2.131 498 N HA 0.021 4.759 4.740 -0.003 0.000 0.276 498 N C 1.123 176.669 175.510 0.060 0.000 1.295 498 N CA 1.647 54.760 53.050 0.104 0.000 0.818 498 N CB 0.146 38.676 38.487 0.073 0.000 1.049 498 N HN 0.967 nan 8.380 nan 0.000 0.484 499 G N -0.025 108.750 108.800 -0.042 0.000 2.220 499 G HA2 -0.332 3.626 3.960 -0.003 0.000 0.269 499 G HA3 -0.332 3.626 3.960 -0.003 0.000 0.269 499 G C -0.197 174.508 174.900 -0.326 0.000 0.977 499 G CA 0.465 45.442 45.100 -0.204 0.000 0.634 499 G HN 0.551 nan 8.290 nan 0.000 0.539 500 Y N 0.000 120.299 120.300 -0.002 0.000 2.660 500 Y HA 0.000 4.548 4.550 -0.003 0.000 0.201 500 Y CA 0.000 58.098 58.100 -0.003 0.000 1.940 500 Y CB 0.000 38.456 38.460 -0.006 0.000 1.050 500 Y HN 0.000 nan 8.280 nan 0.000 0.758