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 7cgt_1_A DATA FIRST_RESID 1 DATA SEQUENCE DPDTAVTNKQ SFSTDVIYQV FTDRFLDGNP SNNPTGAAYD ATcSNLKLYc DATA SEQUENCE GGDWQGLINK INDNYFSDLG VTALWISQPV ENIFATINYS GVTNTAYHGY DATA SEQUENCE WARDFKKTNP YFGTMADFQN LITTAHAKGI KIVIDFAPNH TSPAMETDTS DATA SEQUENCE FAENGRLYDN GTLVGGYTND TNGYFHHNGG SDFSSLENGI YKNLYDLADF DATA SEQUENCE NHNNATIDKY FKDAIKLWLD MGVDGIRVAA VKHMPLGWQK SWMSSIYAHK DATA SEQUENCE PVFTFGEWFL GSAASDADNT DFANKSGMSL LDFRFNSAVR NVFRDNTSNM DATA SEQUENCE YALDSMINST ATDYNQVNDQ VTFIDNHDMD RFKTSAVNNR RLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYLTGNG DPDNRAKMPS FSKSTTAFNV ISKLAPLRKS DATA SEQUENCE NPAIAYGSTQ QRWINNDVYV YERKFGKSVA VVAVNRNLST SASITGLSTS DATA SEQUENCE LPTGSYTDVL GGVLNGNNIT STNGSINNFT LAAGATAVWQ YTTAETTPTI DATA SEQUENCE GHVGPVMGKP GNVVTIDGRG FGSTKGTVYF GTTAVTGAAI TSWEDTQIKV DATA SEQUENCE TIPSVAAGNY AVKVAASGVN SNAYNNFTIL TGDQVTVRFV VNNASTTLGQ DATA SEQUENCE NLYLTGNVAE LGNWSTGSTA IGPAFNQVIH QYPTWYYDVS VPAGKQLEFK DATA SEQUENCE FFKKNGSTIT WESGSNHTFT TPASGTATVT VNWQ 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.275 176.300 -0.042 0.000 2.045 1 D CA 0.000 53.977 54.000 -0.038 0.000 0.868 1 D CB 0.000 40.767 40.800 -0.056 0.000 0.688 2 P HA 0.085 nan 4.420 nan 0.000 0.274 2 P C 0.606 177.868 177.300 -0.064 0.000 1.237 2 P CA -0.099 62.971 63.100 -0.050 0.000 0.793 2 P CB 0.981 32.648 31.700 -0.054 0.000 0.977 3 D N 0.518 120.886 120.400 -0.053 0.000 2.265 3 D HA -0.140 4.498 4.640 -0.003 0.000 0.208 3 D C 0.928 177.171 176.300 -0.095 0.000 0.977 3 D CA 1.509 55.477 54.000 -0.054 0.000 0.871 3 D CB -1.057 39.744 40.800 0.003 0.000 0.925 3 D HN 0.254 nan 8.370 nan 0.000 0.485 4 T N 0.466 114.957 114.554 -0.106 0.000 3.023 4 T HA 0.207 4.556 4.350 -0.003 0.000 0.266 4 T C 1.195 175.803 174.700 -0.153 0.000 1.093 4 T CA 0.521 62.537 62.100 -0.140 0.000 1.129 4 T CB -0.166 68.626 68.868 -0.127 0.000 0.899 4 T HN 0.450 nan 8.240 nan 0.000 0.491 5 A N 1.106 123.847 122.820 -0.133 0.000 2.547 5 A HA 0.214 4.532 4.320 -0.003 0.000 0.233 5 A C 1.814 179.287 177.584 -0.186 0.000 1.067 5 A CA -0.138 51.818 52.037 -0.136 0.000 0.763 5 A CB 0.035 18.968 19.000 -0.112 0.000 1.007 5 A HN 0.215 nan 8.150 nan 0.000 0.506 6 V N 2.252 122.053 119.914 -0.188 0.000 2.913 6 V HA -0.131 3.988 4.120 -0.003 0.000 0.260 6 V C 2.033 177.954 176.094 -0.289 0.000 1.098 6 V CA 2.797 64.947 62.300 -0.250 0.000 1.121 6 V CB -1.100 30.597 31.823 -0.210 0.000 0.714 6 V HN 0.992 nan 8.190 nan 0.000 0.487 7 T N 0.483 114.903 114.554 -0.222 0.000 2.929 7 T HA -0.112 4.237 4.350 -0.003 0.000 0.271 7 T C 1.245 175.845 174.700 -0.167 0.000 1.085 7 T CA 1.040 63.023 62.100 -0.194 0.000 1.125 7 T CB -0.534 68.254 68.868 -0.133 0.000 0.874 7 T HN 0.483 nan 8.240 nan 0.000 0.494 8 N N 1.988 120.579 118.700 -0.181 0.000 2.744 8 N HA 0.058 4.796 4.740 -0.003 0.000 0.290 8 N C 0.625 176.045 175.510 -0.150 0.000 1.206 8 N CA 0.058 53.018 53.050 -0.151 0.000 1.119 8 N CB 0.108 38.496 38.487 -0.165 0.000 1.449 8 N HN 0.332 nan 8.380 nan 0.000 0.514 9 K N 0.888 121.257 120.400 -0.051 0.000 2.504 9 K HA -0.056 4.262 4.320 -0.003 0.000 0.195 9 K C 0.859 177.624 176.600 0.275 0.000 1.036 9 K CA 0.747 57.098 56.287 0.106 0.000 0.984 9 K CB 0.390 32.951 32.500 0.102 0.000 0.788 9 K HN 0.362 nan 8.250 nan 0.000 0.488 10 Q N -0.623 119.278 119.800 0.169 0.000 2.384 10 Q HA 0.148 4.486 4.340 -0.003 0.000 0.207 10 Q C -0.160 176.034 176.000 0.324 0.000 0.904 10 Q CA 0.098 56.038 55.803 0.228 0.000 0.933 10 Q CB 1.324 30.122 28.738 0.100 0.000 1.077 10 Q HN -0.027 nan 8.270 nan 0.000 0.522 11 S N -0.908 114.889 115.700 0.162 0.000 2.572 11 S HA 0.517 4.986 4.470 -0.003 0.000 0.274 11 S C -1.278 173.189 174.600 -0.222 0.000 1.150 11 S CA -0.602 57.544 58.200 -0.090 0.000 0.944 11 S CB 0.306 63.327 63.200 -0.299 0.000 1.071 11 S HN 0.125 nan 8.310 nan 0.000 0.479 12 F N 2.329 121.761 119.950 -0.863 0.000 2.735 12 F HA 0.306 4.832 4.527 -0.003 0.000 0.308 12 F C 1.897 177.377 175.800 -0.533 0.000 1.112 12 F CA -0.336 57.249 58.000 -0.692 0.000 1.235 12 F CB 0.314 38.801 39.000 -0.855 0.000 1.027 12 F HN 0.529 nan 8.300 nan 0.000 0.528 13 S N -0.776 114.724 115.700 -0.333 0.000 2.423 13 S HA -0.152 4.316 4.470 -0.003 0.000 0.231 13 S C 2.116 176.576 174.600 -0.232 0.000 1.014 13 S CA 1.701 59.756 58.200 -0.242 0.000 0.965 13 S CB -0.556 62.544 63.200 -0.167 0.000 0.785 13 S HN 0.528 nan 8.310 nan 0.000 0.495 14 T N -0.537 113.865 114.554 -0.252 0.000 3.107 14 T HA 0.146 4.494 4.350 -0.003 0.000 0.249 14 T C 0.169 174.740 174.700 -0.216 0.000 1.096 14 T CA -0.158 61.784 62.100 -0.263 0.000 1.012 14 T CB -0.055 68.654 68.868 -0.265 0.000 0.977 14 T HN 0.132 nan 8.240 nan 0.000 0.527 15 D N 0.699 120.981 120.400 -0.196 0.000 2.440 15 D HA 0.526 5.164 4.640 -0.003 0.000 0.258 15 D C -0.914 175.339 176.300 -0.078 0.000 1.092 15 D CA -0.497 53.417 54.000 -0.143 0.000 1.016 15 D CB 2.513 43.225 40.800 -0.147 0.000 1.141 15 D HN 0.004 nan 8.370 nan 0.000 0.552 16 V N 1.960 121.856 119.914 -0.030 0.000 2.447 16 V HA 0.277 4.396 4.120 -0.003 0.000 0.292 16 V C 0.051 176.202 176.094 0.095 0.000 1.021 16 V CA -0.635 61.674 62.300 0.015 0.000 0.850 16 V CB 1.447 33.264 31.823 -0.009 0.000 1.005 16 V HN 0.354 nan 8.190 nan 0.000 0.426 17 I N 4.563 125.227 120.570 0.157 0.000 2.395 17 I HA 0.287 4.455 4.170 -0.003 0.000 0.289 17 I C -0.714 175.603 176.117 0.333 0.000 1.023 17 I CA -0.541 60.916 61.300 0.262 0.000 1.350 17 I CB 0.932 39.118 38.000 0.311 0.000 1.409 17 I HN 0.579 nan 8.210 nan 0.000 0.507 18 Y N 6.682 127.085 120.300 0.172 0.000 2.595 18 Y HA 0.168 4.717 4.550 -0.003 0.000 0.336 18 Y C 0.383 176.405 175.900 0.203 0.000 0.996 18 Y CA -0.486 57.712 58.100 0.164 0.000 1.260 18 Y CB 0.519 39.016 38.460 0.062 0.000 1.108 18 Y HN 0.511 nan 8.280 nan 0.000 0.509 19 Q N 5.295 125.105 119.800 0.017 0.000 2.281 19 Q HA 0.402 4.740 4.340 -0.003 0.000 0.267 19 Q C -1.635 174.262 176.000 -0.170 0.000 1.053 19 Q CA -0.089 55.632 55.803 -0.137 0.000 0.905 19 Q CB 0.762 29.290 28.738 -0.350 0.000 1.195 19 Q HN 0.589 nan 8.270 nan 0.000 0.398 20 V N 5.835 125.606 119.914 -0.238 0.000 2.656 20 V HA 0.358 4.476 4.120 -0.003 0.000 0.307 20 V C -1.271 174.684 176.094 -0.232 0.000 1.051 20 V CA -0.707 61.440 62.300 -0.256 0.000 0.893 20 V CB 1.653 33.207 31.823 -0.449 0.000 0.999 20 V HN 0.763 nan 8.190 nan 0.000 0.426 21 F N 5.216 124.888 119.950 -0.465 0.000 2.515 21 F HA 0.277 4.802 4.527 -0.003 0.000 0.353 21 F C 1.839 177.413 175.800 -0.377 0.000 1.213 21 F CA 0.266 58.087 58.000 -0.298 0.000 1.194 21 F CB 0.655 39.601 39.000 -0.090 0.000 1.488 21 F HN 0.720 nan 8.300 nan 0.000 0.619 22 T N 1.028 115.386 114.554 -0.327 0.000 2.656 22 T HA -0.392 3.956 4.350 -0.003 0.000 0.262 22 T C 1.738 176.256 174.700 -0.303 0.000 1.070 22 T CA 2.343 64.220 62.100 -0.371 0.000 1.160 22 T CB -0.329 68.117 68.868 -0.704 0.000 0.855 22 T HN 0.587 nan 8.240 nan 0.000 0.456 23 D N 0.308 120.531 120.400 -0.295 0.000 2.218 23 D HA -0.098 4.540 4.640 -0.003 0.000 0.204 23 D C 1.671 177.992 176.300 0.036 0.000 0.976 23 D CA 0.736 54.708 54.000 -0.047 0.000 0.853 23 D CB 0.102 40.999 40.800 0.162 0.000 0.939 23 D HN 0.126 nan 8.370 nan 0.000 0.481 24 R N -0.451 120.068 120.500 0.033 0.000 2.586 24 R HA 0.143 4.481 4.340 -0.003 0.000 0.306 24 R C 0.276 176.625 176.300 0.082 0.000 1.079 24 R CA -0.155 55.971 56.100 0.044 0.000 1.083 24 R CB -0.375 29.983 30.300 0.096 0.000 1.306 24 R HN 0.282 nan 8.270 nan 0.000 0.567 25 F N -0.275 119.625 119.950 -0.083 0.000 2.515 25 F HA 0.367 4.892 4.527 -0.003 0.000 0.267 25 F C 0.069 175.983 175.800 0.188 0.000 0.923 25 F CA 0.156 58.186 58.000 0.050 0.000 1.107 25 F CB 0.699 39.729 39.000 0.049 0.000 1.175 25 F HN -0.158 nan 8.300 nan 0.000 0.742 26 L N 1.749 123.119 121.223 0.245 0.000 2.580 26 L HA 0.244 4.582 4.340 -0.003 0.000 0.266 26 L C -1.685 175.267 176.870 0.136 0.000 0.955 26 L CA -0.412 54.514 54.840 0.142 0.000 0.886 26 L CB 1.294 43.404 42.059 0.085 0.000 1.263 26 L HN 0.142 nan 8.230 nan 0.000 0.406 27 D N 2.841 123.302 120.400 0.102 0.000 2.545 27 D HA 0.233 4.871 4.640 -0.003 0.000 0.227 27 D C 1.368 177.718 176.300 0.083 0.000 1.150 27 D CA 0.513 54.571 54.000 0.098 0.000 1.046 27 D CB 0.933 41.797 40.800 0.106 0.000 1.098 27 D HN 0.729 nan 8.370 nan 0.000 0.502 28 G N 3.038 111.892 108.800 0.090 0.000 2.448 28 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.219 28 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.219 28 G C 0.818 175.759 174.900 0.069 0.000 1.127 28 G CA -0.026 45.122 45.100 0.079 0.000 0.766 28 G HN 0.520 nan 8.290 nan 0.000 0.552 29 N N -0.359 118.384 118.700 0.071 0.000 2.504 29 N HA 0.268 5.006 4.740 -0.003 0.000 0.280 29 N C -2.470 173.062 175.510 0.036 0.000 1.052 29 N CA -1.485 51.597 53.050 0.054 0.000 0.887 29 N CB 2.681 41.206 38.487 0.064 0.000 1.323 29 N HN -0.204 nan 8.380 nan 0.000 0.509 30 P HA 0.084 nan 4.420 nan 0.000 0.227 30 P C 0.918 178.177 177.300 -0.068 0.000 1.161 30 P CA 0.573 63.659 63.100 -0.024 0.000 0.788 30 P CB 0.426 32.119 31.700 -0.012 0.000 0.822 31 S N 0.625 116.303 115.700 -0.036 0.000 2.442 31 S HA -0.121 4.347 4.470 -0.003 0.000 0.236 31 S C 1.381 175.954 174.600 -0.045 0.000 1.007 31 S CA 1.398 59.572 58.200 -0.042 0.000 0.965 31 S CB -0.995 62.196 63.200 -0.015 0.000 0.773 31 S HN 0.366 nan 8.310 nan 0.000 0.504 32 N N 1.057 119.743 118.700 -0.023 0.000 2.235 32 N HA 0.079 4.818 4.740 -0.003 0.000 0.209 32 N C -0.754 174.772 175.510 0.027 0.000 1.122 32 N CA -0.287 52.771 53.050 0.013 0.000 0.845 32 N CB -0.392 38.118 38.487 0.038 0.000 1.004 32 N HN 0.060 nan 8.380 nan 0.000 0.499 33 N N 1.616 120.235 118.700 -0.134 0.000 2.530 33 N HA 0.316 5.054 4.740 -0.003 0.000 0.277 33 N C -2.440 172.783 175.510 -0.479 0.000 1.168 33 N CA -1.312 51.533 53.050 -0.340 0.000 0.979 33 N CB 0.297 38.388 38.487 -0.662 0.000 1.141 33 N HN 0.129 nan 8.380 nan 0.000 0.459 34 P HA 0.059 nan 4.420 nan 0.000 0.269 34 P C -0.085 176.960 177.300 -0.425 0.000 1.215 34 P CA 0.215 62.883 63.100 -0.720 0.000 0.780 34 P CB 0.544 31.736 31.700 -0.847 0.000 0.898 35 T N 1.026 115.418 114.554 -0.269 0.000 2.929 35 T HA 0.561 4.909 4.350 -0.003 0.000 0.284 35 T C 0.436 175.089 174.700 -0.078 0.000 1.014 35 T CA 0.743 62.744 62.100 -0.165 0.000 1.051 35 T CB 0.211 69.001 68.868 -0.131 0.000 1.028 35 T HN 0.724 nan 8.240 nan 0.000 0.485 36 G N 2.113 110.899 108.800 -0.024 0.000 2.539 36 G HA2 -0.114 3.845 3.960 -0.003 0.000 0.256 36 G HA3 -0.114 3.845 3.960 -0.003 0.000 0.256 36 G C 0.836 175.762 174.900 0.044 0.000 1.233 36 G CA 0.053 45.159 45.100 0.009 0.000 0.936 36 G HN 1.394 nan 8.290 nan 0.000 0.571 37 A N -0.001 122.836 122.820 0.029 0.000 2.236 37 A HA 0.605 4.923 4.320 -0.003 0.000 0.214 37 A C 2.019 179.635 177.584 0.054 0.000 1.287 37 A CA 1.724 53.782 52.037 0.035 0.000 0.909 37 A CB -0.842 18.171 19.000 0.023 0.000 0.839 37 A HN 2.243 nan 8.150 nan 0.000 0.486 38 A N -1.798 121.065 122.820 0.072 0.000 2.382 38 A HA 0.447 4.765 4.320 -0.003 0.000 0.228 38 A C 0.150 177.843 177.584 0.181 0.000 1.217 38 A CA -0.007 52.105 52.037 0.126 0.000 0.923 38 A CB 0.089 19.139 19.000 0.084 0.000 0.979 38 A HN 0.466 nan 8.150 nan 0.000 0.515 39 Y N 0.388 120.673 120.300 -0.025 0.000 2.364 39 Y HA 0.581 5.129 4.550 -0.003 0.000 0.340 39 Y C -1.485 174.401 175.900 -0.023 0.000 0.975 39 Y CA -1.685 56.395 58.100 -0.034 0.000 1.089 39 Y CB 1.456 39.856 38.460 -0.100 0.000 1.192 39 Y HN 0.099 nan 8.280 nan 0.000 0.454 40 D N 4.311 124.210 120.400 -0.835 0.000 2.421 40 D HA 0.393 5.031 4.640 -0.003 0.000 0.254 40 D C 0.378 176.207 176.300 -0.786 0.000 1.238 40 D CA 0.128 53.770 54.000 -0.597 0.000 0.919 40 D CB 1.680 42.293 40.800 -0.311 0.000 1.152 40 D HN 0.769 nan 8.370 nan 0.000 0.552 41 A N 2.529 124.986 122.820 -0.605 0.000 1.908 41 A HA -0.184 4.135 4.320 -0.003 0.000 0.218 41 A C 1.880 179.358 177.584 -0.177 0.000 1.181 41 A CA 2.426 54.291 52.037 -0.287 0.000 0.627 41 A CB -0.707 18.291 19.000 -0.005 0.000 0.818 41 A HN 0.614 nan 8.150 nan 0.000 0.445 42 T N -4.822 109.639 114.554 -0.154 0.000 3.023 42 T HA -0.024 4.324 4.350 -0.003 0.000 0.266 42 T C 1.178 175.801 174.700 -0.128 0.000 1.093 42 T CA 0.760 62.794 62.100 -0.110 0.000 1.129 42 T CB -0.991 67.825 68.868 -0.087 0.000 0.899 42 T HN 1.244 nan 8.240 nan 0.000 0.491 43 c N 1.801 120.293 118.600 -0.180 0.000 4.358 43 c HA -0.272 4.296 4.570 -0.003 0.000 0.287 43 c C 2.060 176.068 174.090 -0.138 0.000 1.414 43 c CA 0.546 56.770 56.329 -0.175 0.000 1.949 43 c CB -2.788 39.635 42.510 -0.145 0.000 1.274 43 c HN 0.733 nan 8.230 nan 0.000 0.793 44 S N -0.081 115.548 115.700 -0.119 0.000 2.399 44 S HA -0.139 4.330 4.470 -0.003 0.000 0.231 44 S C 0.636 175.180 174.600 -0.093 0.000 1.022 44 S CA 1.559 59.704 58.200 -0.091 0.000 0.983 44 S CB -0.230 62.925 63.200 -0.075 0.000 0.803 44 S HN 0.925 nan 8.310 nan 0.000 0.480 45 N N 1.361 119.995 118.700 -0.110 0.000 2.437 45 N HA 0.194 4.933 4.740 -0.003 0.000 0.259 45 N C 0.260 175.675 175.510 -0.158 0.000 0.983 45 N CA -0.458 52.529 53.050 -0.106 0.000 0.937 45 N CB 0.666 39.101 38.487 -0.087 0.000 1.122 45 N HN -0.097 nan 8.380 nan 0.000 0.499 46 L N 2.878 124.003 121.223 -0.163 0.000 2.418 46 L HA 0.161 4.499 4.340 -0.003 0.000 0.218 46 L C 1.816 178.453 176.870 -0.388 0.000 1.125 46 L CA 0.779 55.456 54.840 -0.271 0.000 0.835 46 L CB -0.751 41.186 42.059 -0.203 0.000 0.953 46 L HN 0.560 nan 8.230 nan 0.000 0.454 47 K N -0.137 120.148 120.400 -0.191 0.000 2.486 47 K HA 0.134 4.452 4.320 -0.003 0.000 0.194 47 K C 0.783 177.302 176.600 -0.136 0.000 1.033 47 K CA 0.223 56.459 56.287 -0.086 0.000 1.004 47 K CB 0.191 32.719 32.500 0.048 0.000 0.798 47 K HN 0.255 nan 8.250 nan 0.000 0.495 48 L N -0.342 120.752 121.223 -0.215 0.000 2.376 48 L HA 0.272 4.610 4.340 -0.003 0.000 0.267 48 L C 0.050 176.781 176.870 -0.231 0.000 1.035 48 L CA -1.118 53.630 54.840 -0.154 0.000 0.800 48 L CB 0.285 42.282 42.059 -0.104 0.000 1.290 48 L HN -0.088 nan 8.230 nan 0.000 0.462 49 Y N -0.908 119.317 120.300 -0.124 0.000 2.335 49 Y HA 0.063 4.611 4.550 -0.003 0.000 0.331 49 Y C 0.828 176.629 175.900 -0.166 0.000 1.094 49 Y CA -0.172 57.888 58.100 -0.066 0.000 1.253 49 Y CB 1.081 39.543 38.460 0.004 0.000 1.203 49 Y HN 0.522 nan 8.280 nan 0.000 0.508 50 c N 0.679 119.311 118.600 0.053 0.000 2.912 50 c HA 0.364 4.932 4.570 -0.003 0.000 0.274 50 c C 1.749 175.907 174.090 0.113 0.000 1.248 50 c CA 0.460 56.746 56.329 -0.073 0.000 1.694 50 c CB -0.432 42.029 42.510 -0.081 0.000 2.024 50 c HN 1.219 nan 8.230 nan 0.000 0.605 51 G N 0.270 109.249 108.800 0.297 0.000 2.316 51 G HA2 -0.026 3.932 3.960 -0.003 0.000 0.203 51 G HA3 -0.026 3.932 3.960 -0.003 0.000 0.203 51 G C 0.457 175.470 174.900 0.188 0.000 0.999 51 G CA -0.112 45.179 45.100 0.318 0.000 0.649 51 G HN 0.782 nan 8.290 nan 0.000 0.489 52 G N 0.953 109.835 108.800 0.138 0.000 2.368 52 G HA2 0.471 4.429 3.960 -0.003 0.000 0.233 52 G HA3 0.471 4.429 3.960 -0.003 0.000 0.233 52 G C 0.046 174.932 174.900 -0.023 0.000 1.267 52 G CA 1.363 46.501 45.100 0.062 0.000 0.873 52 G HN 1.190 nan 8.290 nan 0.000 0.539 53 D N -0.536 119.847 120.400 -0.028 0.000 2.759 53 D HA 0.223 4.861 4.640 -0.003 0.000 0.321 53 D C 0.490 176.811 176.300 0.034 0.000 1.267 53 D CA -0.887 53.046 54.000 -0.112 0.000 0.933 53 D CB 0.140 40.941 40.800 0.002 0.000 1.431 53 D HN 0.321 nan 8.370 nan 0.000 0.504 54 W N -0.447 120.935 121.300 0.137 0.000 2.418 54 W HA -0.016 4.642 4.660 -0.003 0.000 0.292 54 W C 2.064 178.648 176.519 0.108 0.000 1.213 54 W CA 0.813 58.232 57.345 0.123 0.000 1.283 54 W CB -0.896 28.663 29.460 0.166 0.000 1.119 54 W HN 0.513 nan 8.180 nan 0.000 0.542 55 Q N 0.429 120.414 119.800 0.308 0.000 2.061 55 Q HA -0.116 4.222 4.340 -0.003 0.000 0.204 55 Q C 2.448 178.554 176.000 0.177 0.000 0.984 55 Q CA 2.648 58.573 55.803 0.203 0.000 0.846 55 Q CB -1.148 27.681 28.738 0.151 0.000 0.902 55 Q HN 0.185 nan 8.270 nan 0.000 0.421 56 G N 0.217 109.124 108.800 0.177 0.000 2.469 56 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.219 56 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.219 56 G C 1.338 176.381 174.900 0.239 0.000 1.150 56 G CA 1.062 46.264 45.100 0.171 0.000 0.763 56 G HN 0.390 nan 8.290 nan 0.000 0.561 57 L N -0.110 121.302 121.223 0.314 0.000 2.056 57 L HA 0.042 4.380 4.340 -0.003 0.000 0.207 57 L C 2.859 179.913 176.870 0.306 0.000 1.078 57 L CA 0.517 55.593 54.840 0.394 0.000 0.749 57 L CB -0.383 41.867 42.059 0.320 0.000 0.901 57 L HN 0.186 nan 8.230 nan 0.000 0.433 58 I N 0.297 120.994 120.570 0.212 0.000 2.194 58 I HA -0.338 3.830 4.170 -0.003 0.000 0.246 58 I C 2.237 178.430 176.117 0.127 0.000 1.093 58 I CA 1.244 62.631 61.300 0.144 0.000 1.355 58 I CB -0.406 37.663 38.000 0.114 0.000 1.046 58 I HN 0.374 nan 8.210 nan 0.000 0.413 59 N N 1.022 119.787 118.700 0.109 0.000 2.025 59 N HA -0.166 4.572 4.740 -0.003 0.000 0.194 59 N C 1.708 177.222 175.510 0.007 0.000 1.044 59 N CA 1.216 54.291 53.050 0.043 0.000 0.851 59 N CB -0.381 38.112 38.487 0.011 0.000 1.036 59 N HN 0.146 nan 8.380 nan 0.000 0.422 60 K N 0.883 121.280 120.400 -0.005 0.000 2.360 60 K HA 0.057 4.375 4.320 -0.003 0.000 0.201 60 K C 1.893 178.522 176.600 0.049 0.000 1.046 60 K CA 0.294 56.502 56.287 -0.132 0.000 0.945 60 K CB -0.307 32.022 32.500 -0.285 0.000 0.750 60 K HN 0.367 nan 8.250 nan 0.000 0.464 61 I N 0.792 121.503 120.570 0.235 0.000 2.584 61 I HA -0.178 3.991 4.170 -0.003 0.000 0.255 61 I C 1.456 177.657 176.117 0.141 0.000 1.145 61 I CA 0.599 62.074 61.300 0.292 0.000 1.462 61 I CB -0.064 38.083 38.000 0.245 0.000 1.102 61 I HN 0.141 nan 8.210 nan 0.000 0.433 62 N N 1.255 120.007 118.700 0.086 0.000 2.250 62 N HA -0.127 4.611 4.740 -0.003 0.000 0.181 62 N C 0.852 176.382 175.510 0.033 0.000 1.017 62 N CA 1.249 54.330 53.050 0.051 0.000 0.866 62 N CB -0.297 38.213 38.487 0.038 0.000 0.985 62 N HN 0.460 nan 8.380 nan 0.000 0.429 63 D N 0.121 120.529 120.400 0.013 0.000 2.352 63 D HA 0.040 4.678 4.640 -0.003 0.000 0.236 63 D C -0.191 176.123 176.300 0.024 0.000 1.148 63 D CA -0.213 53.787 54.000 0.001 0.000 0.844 63 D CB -0.615 40.163 40.800 -0.037 0.000 0.933 63 D HN -0.113 nan 8.370 nan 0.000 0.507 64 N N -0.613 118.114 118.700 0.044 0.000 2.681 64 N HA -0.317 4.422 4.740 -0.003 0.000 0.250 64 N C 0.251 175.794 175.510 0.055 0.000 1.133 64 N CA 0.773 53.857 53.050 0.057 0.000 0.732 64 N CB -1.708 36.806 38.487 0.046 0.000 1.107 64 N HN 0.472 nan 8.380 nan 0.000 0.559 65 Y N 0.365 120.592 120.300 -0.122 0.000 2.097 65 Y HA -0.172 4.376 4.550 -0.003 0.000 0.282 65 Y C 1.910 177.732 175.900 -0.130 0.000 1.152 65 Y CA 1.955 59.950 58.100 -0.175 0.000 1.136 65 Y CB -0.559 37.632 38.460 -0.449 0.000 0.975 65 Y HN 0.114 nan 8.280 nan 0.000 0.498 66 F N -0.331 119.563 119.950 -0.093 0.000 2.186 66 F HA -0.163 4.363 4.527 -0.003 0.000 0.299 66 F C 2.628 178.311 175.800 -0.196 0.000 1.090 66 F CA 1.605 59.465 58.000 -0.233 0.000 1.307 66 F CB -1.123 37.819 39.000 -0.097 0.000 1.019 66 F HN -0.055 nan 8.300 nan 0.000 0.489 67 S N -0.555 115.192 115.700 0.078 0.000 2.428 67 S HA -0.140 4.328 4.470 -0.003 0.000 0.230 67 S C 1.437 176.034 174.600 -0.006 0.000 1.014 67 S CA 1.215 59.432 58.200 0.029 0.000 0.957 67 S CB -0.259 62.967 63.200 0.044 0.000 0.784 67 S HN 0.320 nan 8.310 nan 0.000 0.499 68 D N 0.920 121.325 120.400 0.007 0.000 2.277 68 D HA 0.074 4.712 4.640 -0.003 0.000 0.208 68 D C 1.539 177.845 176.300 0.009 0.000 0.962 68 D CA 0.326 54.379 54.000 0.087 0.000 0.865 68 D CB -0.094 40.825 40.800 0.200 0.000 0.939 68 D HN 0.241 nan 8.370 nan 0.000 0.510 69 L N -0.381 120.679 121.223 -0.271 0.000 2.509 69 L HA 0.248 4.586 4.340 -0.003 0.000 0.222 69 L C 1.336 177.984 176.870 -0.370 0.000 1.123 69 L CA 0.896 55.317 54.840 -0.698 0.000 0.856 69 L CB 0.058 41.573 42.059 -0.908 0.000 0.985 69 L HN 0.149 nan 8.230 nan 0.000 0.456 70 G N 0.015 108.700 108.800 -0.191 0.000 2.153 70 G HA2 -0.246 3.713 3.960 -0.003 0.000 0.252 70 G HA3 -0.246 3.713 3.960 -0.003 0.000 0.252 70 G C 0.317 175.157 174.900 -0.100 0.000 0.994 70 G CA 0.382 45.408 45.100 -0.122 0.000 0.698 70 G HN 0.714 nan 8.290 nan 0.000 0.521 71 V N -1.064 118.796 119.914 -0.089 0.000 2.488 71 V HA 0.728 4.847 4.120 -0.003 0.000 0.277 71 V C 1.179 177.249 176.094 -0.040 0.000 1.046 71 V CA 0.549 62.825 62.300 -0.041 0.000 0.986 71 V CB 1.110 32.932 31.823 -0.001 0.000 0.989 71 V HN 0.819 nan 8.190 nan 0.000 0.475 72 T N 0.827 115.358 114.554 -0.038 0.000 3.163 72 T HA 0.699 5.047 4.350 -0.003 0.000 0.252 72 T C 0.373 175.045 174.700 -0.047 0.000 1.056 72 T CA 0.364 62.427 62.100 -0.062 0.000 0.947 72 T CB -0.108 68.697 68.868 -0.106 0.000 1.016 72 T HN 1.748 nan 8.240 nan 0.000 0.554 73 A N 0.991 123.820 122.820 0.015 0.000 2.582 73 A HA 0.639 4.957 4.320 -0.003 0.000 0.297 73 A C -1.544 176.111 177.584 0.119 0.000 1.059 73 A CA -0.914 51.181 52.037 0.097 0.000 0.705 73 A CB 0.861 20.006 19.000 0.241 0.000 1.279 73 A HN 0.352 nan 8.150 nan 0.000 0.404 74 L N 1.938 123.221 121.223 0.099 0.000 2.296 74 L HA 0.514 4.852 4.340 -0.003 0.000 0.286 74 L C -0.940 176.087 176.870 0.262 0.000 1.023 74 L CA -0.427 54.460 54.840 0.079 0.000 0.812 74 L CB 1.588 43.587 42.059 -0.099 0.000 1.223 74 L HN 0.825 nan 8.230 nan 0.000 0.421 75 W N 7.367 128.713 121.300 0.077 0.000 2.278 75 W HA 0.544 5.203 4.660 -0.003 0.000 0.317 75 W C -0.661 175.889 176.519 0.051 0.000 1.030 75 W CA -1.593 55.816 57.345 0.107 0.000 1.334 75 W CB 0.564 30.123 29.460 0.165 0.000 1.215 75 W HN 0.336 nan 8.180 nan 0.000 0.405 76 I N 2.547 123.289 120.570 0.287 0.000 2.793 76 I HA 0.650 4.818 4.170 -0.003 0.000 0.313 76 I C 0.401 176.565 176.117 0.078 0.000 0.998 76 I CA -0.890 60.469 61.300 0.098 0.000 1.140 76 I CB 1.480 39.591 38.000 0.185 0.000 1.327 76 I HN 0.192 nan 8.210 nan 0.000 0.491 77 S N 1.765 117.426 115.700 -0.066 0.000 2.584 77 S HA 0.030 4.498 4.470 -0.003 0.000 0.270 77 S C -0.051 174.613 174.600 0.106 0.000 1.346 77 S CA -0.530 57.599 58.200 -0.118 0.000 1.018 77 S CB 0.480 63.507 63.200 -0.289 0.000 0.899 77 S HN 0.729 nan 8.310 nan 0.000 0.542 78 Q N 2.679 122.507 119.800 0.046 0.000 2.262 78 Q HA -0.007 4.332 4.340 -0.003 0.000 0.298 78 Q C -1.328 174.709 176.000 0.062 0.000 1.083 78 Q CA -1.163 54.656 55.803 0.027 0.000 0.962 78 Q CB 0.559 29.271 28.738 -0.043 0.000 1.104 78 Q HN 0.393 nan 8.270 nan 0.000 0.376 79 P HA -0.092 nan 4.420 nan 0.000 0.225 79 P C 0.446 177.752 177.300 0.010 0.000 1.156 79 P CA 0.530 63.725 63.100 0.159 0.000 0.787 79 P CB -0.210 31.353 31.700 -0.227 0.000 0.802 80 V N -1.142 118.634 119.914 -0.229 0.000 2.763 80 V HA 0.092 4.210 4.120 -0.003 0.000 0.306 80 V C 0.553 176.563 176.094 -0.140 0.000 1.059 80 V CA -0.673 61.585 62.300 -0.070 0.000 1.138 80 V CB -0.321 31.365 31.823 -0.229 0.000 0.940 80 V HN -0.002 nan 8.190 nan 0.000 0.489 81 E N 4.126 124.276 120.200 -0.083 0.000 2.606 81 E HA -0.008 4.340 4.350 -0.003 0.000 0.248 81 E C 0.061 176.495 176.600 -0.275 0.000 1.005 81 E CA 0.310 56.588 56.400 -0.203 0.000 0.946 81 E CB 0.072 29.653 29.700 -0.199 0.000 0.928 81 E HN 0.882 nan 8.360 nan 0.000 0.494 82 N N 2.781 121.321 118.700 -0.265 0.000 2.458 82 N HA 0.231 4.969 4.740 -0.003 0.000 0.271 82 N C 0.230 175.636 175.510 -0.173 0.000 1.210 82 N CA -0.646 52.311 53.050 -0.155 0.000 0.978 82 N CB 0.826 39.276 38.487 -0.061 0.000 1.206 82 N HN 0.407 nan 8.380 nan 0.000 0.536 83 I N -0.900 119.674 120.570 0.006 0.000 2.710 83 I HA -0.027 4.142 4.170 -0.003 0.000 0.286 83 I C 0.511 176.730 176.117 0.170 0.000 1.181 83 I CA -0.015 61.299 61.300 0.024 0.000 1.430 83 I CB 0.144 38.217 38.000 0.123 0.000 1.367 83 I HN 0.411 nan 8.210 nan 0.000 0.577 84 F N 3.980 123.983 119.950 0.089 0.000 2.416 84 F HA 0.289 4.814 4.527 -0.003 0.000 0.296 84 F C 1.927 177.796 175.800 0.115 0.000 1.099 84 F CA 0.194 58.260 58.000 0.110 0.000 1.427 84 F CB -0.836 38.189 39.000 0.043 0.000 1.079 84 F HN 0.683 nan 8.300 nan 0.000 0.536 85 A N -0.004 122.973 122.820 0.261 0.000 2.429 85 A HA 0.339 4.658 4.320 -0.003 0.000 0.242 85 A C 0.528 178.197 177.584 0.142 0.000 1.088 85 A CA 0.310 52.430 52.037 0.138 0.000 0.784 85 A CB -0.200 18.824 19.000 0.038 0.000 1.038 85 A HN 0.157 nan 8.150 nan 0.000 0.501 86 T N 0.435 115.031 114.554 0.069 0.000 2.888 86 T HA 0.617 4.965 4.350 -0.003 0.000 0.284 86 T C -0.491 174.186 174.700 -0.038 0.000 1.017 86 T CA -0.058 62.088 62.100 0.075 0.000 1.022 86 T CB 0.398 69.301 68.868 0.059 0.000 1.013 86 T HN 0.406 nan 8.240 nan 0.000 0.465 87 I N 3.354 123.910 120.570 -0.024 0.000 2.478 87 I HA 0.358 4.527 4.170 -0.003 0.000 0.287 87 I C -0.171 175.827 176.117 -0.198 0.000 1.042 87 I CA -0.933 60.218 61.300 -0.248 0.000 1.067 87 I CB 1.931 39.706 38.000 -0.375 0.000 1.233 87 I HN 0.601 nan 8.210 nan 0.000 0.431 88 N N 5.256 123.804 118.700 -0.253 0.000 2.434 88 N HA 0.297 5.035 4.740 -0.003 0.000 0.272 88 N C -1.593 173.739 175.510 -0.297 0.000 1.040 88 N CA -0.296 52.671 53.050 -0.140 0.000 0.956 88 N CB 0.789 39.236 38.487 -0.066 0.000 1.108 88 N HN 0.382 nan 8.380 nan 0.000 0.481 89 Y N 2.721 123.081 120.300 0.101 0.000 2.587 89 Y HA 0.186 4.734 4.550 -0.003 0.000 0.328 89 Y C 0.024 175.973 175.900 0.081 0.000 0.980 89 Y CA -0.685 57.480 58.100 0.110 0.000 1.272 89 Y CB 0.685 39.217 38.460 0.119 0.000 1.094 89 Y HN 0.805 nan 8.280 nan 0.000 0.503 90 S N 1.111 116.888 115.700 0.129 0.000 3.386 90 S HA -0.161 4.307 4.470 -0.003 0.000 0.403 90 S C 1.108 175.757 174.600 0.081 0.000 0.893 90 S CA 0.728 58.986 58.200 0.096 0.000 1.336 90 S CB -1.809 61.452 63.200 0.103 0.000 0.925 90 S HN 1.905 nan 8.310 nan 0.000 0.589 91 G N -0.941 107.893 108.800 0.057 0.000 2.268 91 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.240 91 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.240 91 G C 0.265 175.198 174.900 0.054 0.000 1.010 91 G CA 0.095 45.223 45.100 0.047 0.000 0.618 91 G HN 2.083 nan 8.290 nan 0.000 0.516 92 V N 2.695 122.659 119.914 0.083 0.000 2.378 92 V HA 0.657 4.775 4.120 -0.003 0.000 0.288 92 V C 0.457 176.619 176.094 0.113 0.000 1.016 92 V CA 0.264 62.621 62.300 0.096 0.000 0.840 92 V CB 1.346 33.239 31.823 0.115 0.000 0.994 92 V HN 0.374 nan 8.190 nan 0.000 0.431 93 T N 7.421 122.022 114.554 0.078 0.000 2.853 93 T HA 0.215 4.563 4.350 -0.003 0.000 0.298 93 T C 0.008 174.790 174.700 0.137 0.000 0.978 93 T CA 0.392 62.538 62.100 0.078 0.000 1.152 93 T CB -0.233 68.665 68.868 0.051 0.000 0.914 93 T HN 0.787 nan 8.240 nan 0.000 0.539 94 N N 1.373 120.194 118.700 0.202 0.000 2.335 94 N HA 0.604 5.342 4.740 -0.003 0.000 0.304 94 N C -0.199 175.478 175.510 0.279 0.000 1.135 94 N CA -0.742 52.490 53.050 0.303 0.000 0.817 94 N CB 2.177 41.012 38.487 0.580 0.000 1.294 94 N HN 0.676 nan 8.380 nan 0.000 0.497 95 T N -3.047 111.614 114.554 0.178 0.000 2.864 95 T HA 0.596 4.944 4.350 -0.003 0.000 0.289 95 T C -0.154 174.379 174.700 -0.280 0.000 1.082 95 T CA -0.804 61.349 62.100 0.089 0.000 1.009 95 T CB 1.597 70.476 68.868 0.019 0.000 1.234 95 T HN 0.395 nan 8.240 nan 0.000 0.526 96 A N 0.610 123.284 122.820 -0.244 0.000 2.988 96 A HA 0.377 4.695 4.320 -0.003 0.000 0.288 96 A C 1.083 178.182 177.584 -0.808 0.000 1.385 96 A CA -0.551 51.119 52.037 -0.612 0.000 1.001 96 A CB -1.517 17.476 19.000 -0.011 0.000 1.071 96 A HN 0.940 nan 8.150 nan 0.000 0.608 97 Y N 0.027 119.642 120.300 -1.141 0.000 2.207 97 Y HA -0.343 4.206 4.550 -0.003 0.000 0.287 97 Y C 2.089 177.673 175.900 -0.527 0.000 1.156 97 Y CA 1.835 59.343 58.100 -0.987 0.000 1.182 97 Y CB -1.085 36.835 38.460 -0.900 0.000 0.979 97 Y HN 0.713 nan 8.280 nan 0.000 0.521 98 H N -0.956 117.209 119.070 -1.508 0.000 2.456 98 H HA 0.114 4.668 4.556 -0.003 0.000 0.296 98 H C 2.017 176.617 175.328 -1.213 0.000 1.079 98 H CA 0.569 55.728 56.048 -1.482 0.000 1.322 98 H CB -0.543 28.197 29.762 -1.702 0.000 1.388 98 H HN 0.572 nan 8.280 nan 0.000 0.538 99 G N 0.598 109.044 108.800 -0.591 0.000 2.175 99 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.244 99 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.244 99 G C 0.381 175.131 174.900 -0.250 0.000 0.982 99 G CA 0.352 45.247 45.100 -0.342 0.000 0.641 99 G HN 0.474 nan 8.290 nan 0.000 0.527 100 Y N -0.864 119.362 120.300 -0.124 0.000 2.509 100 Y HA 0.228 4.776 4.550 -0.003 0.000 0.293 100 Y C 1.402 177.415 175.900 0.187 0.000 1.133 100 Y CA -0.100 57.929 58.100 -0.120 0.000 1.283 100 Y CB -0.041 38.187 38.460 -0.387 0.000 1.001 100 Y HN 0.440 nan 8.280 nan 0.000 0.555 101 W N 1.457 122.870 121.300 0.188 0.000 1.714 101 W HA 0.672 5.331 4.660 -0.002 0.000 0.363 101 W C 0.314 176.832 176.519 -0.001 0.000 0.724 101 W CA -1.973 55.446 57.345 0.124 0.000 1.804 101 W CB -0.996 28.546 29.460 0.137 0.000 1.900 101 W HN -0.165 nan 8.180 nan 0.000 0.296 102 A N 2.159 125.041 122.820 0.102 0.000 2.406 102 A HA 0.485 4.803 4.320 -0.003 0.000 0.243 102 A C 1.418 178.965 177.584 -0.062 0.000 1.082 102 A CA 0.143 52.062 52.037 -0.197 0.000 0.786 102 A CB 0.594 19.114 19.000 -0.800 0.000 1.029 102 A HN 0.648 nan 8.150 nan 0.000 0.495 103 R N -0.608 119.832 120.500 -0.100 0.000 2.635 103 R HA 0.228 4.566 4.340 -0.003 0.000 0.241 103 R C -1.061 175.359 176.300 0.200 0.000 0.941 103 R CA 0.159 56.322 56.100 0.105 0.000 1.014 103 R CB 0.741 31.101 30.300 0.100 0.000 1.517 103 R HN 0.537 nan 8.270 nan 0.000 0.594 104 D N 0.063 120.485 120.400 0.036 0.000 2.616 104 D HA 0.211 4.850 4.640 -0.003 0.000 0.238 104 D C -0.795 175.602 176.300 0.162 0.000 1.354 104 D CA -0.574 53.550 54.000 0.207 0.000 0.970 104 D CB 1.252 42.130 40.800 0.128 0.000 1.369 104 D HN 0.040 nan 8.370 nan 0.000 0.585 105 F N 1.719 121.870 119.950 0.335 0.000 2.797 105 F HA 0.204 4.730 4.527 -0.003 0.000 0.302 105 F C 1.950 178.042 175.800 0.486 0.000 1.130 105 F CA 0.306 58.510 58.000 0.341 0.000 1.387 105 F CB 0.399 39.566 39.000 0.277 0.000 1.107 105 F HN 0.089 nan 8.300 nan 0.000 0.577 106 K N -0.177 120.494 120.400 0.453 0.000 2.387 106 K HA 0.186 4.504 4.320 -0.003 0.000 0.203 106 K C 0.264 176.945 176.600 0.136 0.000 1.030 106 K CA 0.081 56.512 56.287 0.240 0.000 1.099 106 K CB 0.725 33.309 32.500 0.141 0.000 0.863 106 K HN 0.030 nan 8.250 nan 0.000 0.529 107 K N 1.314 121.843 120.400 0.215 0.000 2.400 107 K HA 0.276 4.595 4.320 -0.003 0.000 0.246 107 K C -0.156 176.598 176.600 0.256 0.000 0.995 107 K CA -0.535 55.836 56.287 0.140 0.000 0.840 107 K CB 2.116 34.648 32.500 0.054 0.000 1.293 107 K HN -0.030 nan 8.250 nan 0.000 0.445 108 T N -1.307 113.392 114.554 0.241 0.000 2.928 108 T HA 0.190 4.539 4.350 -0.003 0.000 0.284 108 T C 0.299 175.058 174.700 0.098 0.000 1.008 108 T CA -0.869 61.441 62.100 0.351 0.000 1.057 108 T CB 0.959 70.186 68.868 0.598 0.000 1.018 108 T HN 0.395 nan 8.240 nan 0.000 0.493 109 N N 3.234 121.913 118.700 -0.034 0.000 2.427 109 N HA 0.089 4.827 4.740 -0.003 0.000 0.269 109 N C -1.127 174.164 175.510 -0.365 0.000 1.235 109 N CA -2.054 50.784 53.050 -0.353 0.000 0.934 109 N CB 0.989 38.987 38.487 -0.814 0.000 1.121 109 N HN 0.415 nan 8.380 nan 0.000 0.480 110 P HA -0.147 nan 4.420 nan 0.000 0.218 110 P C 0.650 177.751 177.300 -0.333 0.000 1.149 110 P CA 1.249 64.151 63.100 -0.330 0.000 0.817 110 P CB -0.012 31.456 31.700 -0.387 0.000 0.785 111 Y N -1.434 118.748 120.300 -0.196 0.000 2.497 111 Y HA -0.056 4.492 4.550 -0.003 0.000 0.292 111 Y C 2.086 178.063 175.900 0.129 0.000 1.137 111 Y CA 0.476 58.501 58.100 -0.125 0.000 1.285 111 Y CB -1.160 37.154 38.460 -0.242 0.000 0.991 111 Y HN -0.071 nan 8.280 nan 0.000 0.556 112 F N -1.230 118.523 119.950 -0.328 0.000 2.717 112 F HA 0.526 5.051 4.527 -0.003 0.000 0.295 112 F C 1.446 176.660 175.800 -0.977 0.000 1.117 112 F CA 0.262 57.763 58.000 -0.832 0.000 1.361 112 F CB -0.144 38.050 39.000 -1.342 0.000 1.112 112 F HN -0.048 nan 8.300 nan 0.000 0.594 113 G N -0.016 108.587 108.800 -0.328 0.000 2.343 113 G HA2 0.171 4.129 3.960 -0.003 0.000 0.465 113 G HA3 0.171 4.129 3.960 -0.003 0.000 0.465 113 G C -0.386 174.699 174.900 0.308 0.000 1.282 113 G CA -0.531 44.611 45.100 0.070 0.000 0.996 113 G HN 0.237 nan 8.290 nan 0.000 0.521 114 T N -1.743 113.057 114.554 0.410 0.000 2.852 114 T HA 0.584 4.933 4.350 -0.003 0.000 0.281 114 T C 1.679 176.657 174.700 0.463 0.000 0.993 114 T CA 0.014 62.330 62.100 0.361 0.000 0.933 114 T CB 0.935 69.930 68.868 0.211 0.000 1.187 114 T HN 0.401 nan 8.240 nan 0.000 0.559 115 M N 0.276 120.048 119.600 0.287 0.000 2.175 115 M HA 0.063 4.541 4.480 -0.003 0.000 0.264 115 M C 2.626 179.055 176.300 0.215 0.000 1.063 115 M CA 1.610 57.044 55.300 0.223 0.000 1.119 115 M CB -1.893 30.767 32.600 0.100 0.000 1.377 115 M HN 0.915 nan 8.290 nan 0.000 0.415 116 A N 0.154 123.080 122.820 0.177 0.000 1.873 116 A HA -0.174 4.145 4.320 -0.003 0.000 0.215 116 A C 1.892 179.572 177.584 0.160 0.000 1.186 116 A CA 1.901 54.020 52.037 0.136 0.000 0.616 116 A CB -0.760 18.305 19.000 0.108 0.000 0.823 116 A HN 0.353 nan 8.150 nan 0.000 0.442 117 D N -1.005 119.540 120.400 0.242 0.000 2.106 117 D HA -0.171 4.467 4.640 -0.003 0.000 0.191 117 D C 1.610 178.033 176.300 0.205 0.000 0.997 117 D CA 1.459 55.636 54.000 0.296 0.000 0.834 117 D CB -0.454 40.654 40.800 0.513 0.000 0.956 117 D HN 0.427 nan 8.370 nan 0.000 0.448 118 F N 1.314 121.282 119.950 0.030 0.000 2.069 118 F HA -0.186 4.339 4.527 -0.003 0.000 0.298 118 F C 2.450 178.139 175.800 -0.186 0.000 1.113 118 F CA 1.594 59.377 58.000 -0.361 0.000 1.214 118 F CB -0.308 38.447 39.000 -0.408 0.000 0.978 118 F HN -0.074 nan 8.300 nan 0.000 0.474 119 Q N -0.037 119.785 119.800 0.036 0.000 2.291 119 Q HA -0.253 4.085 4.340 -0.003 0.000 0.206 119 Q C 1.998 177.927 176.000 -0.119 0.000 0.976 119 Q CA 1.456 57.239 55.803 -0.033 0.000 0.875 119 Q CB -0.463 28.314 28.738 0.064 0.000 0.927 119 Q HN 0.639 nan 8.270 nan 0.000 0.450 120 N N -0.379 118.272 118.700 -0.082 0.000 2.416 120 N HA -0.096 4.642 4.740 -0.003 0.000 0.177 120 N C 1.761 177.197 175.510 -0.123 0.000 1.036 120 N CA 0.055 53.070 53.050 -0.058 0.000 0.901 120 N CB 0.178 38.681 38.487 0.026 0.000 0.976 120 N HN 0.239 nan 8.380 nan 0.000 0.444 121 L N 0.954 122.028 121.223 -0.249 0.000 2.127 121 L HA 0.008 4.346 4.340 -0.003 0.000 0.203 121 L C 1.959 178.588 176.870 -0.401 0.000 1.080 121 L CA 0.746 55.407 54.840 -0.299 0.000 0.768 121 L CB -0.552 41.241 42.059 -0.443 0.000 0.924 121 L HN 0.147 nan 8.230 nan 0.000 0.444 122 I N 0.346 120.571 120.570 -0.576 0.000 2.361 122 I HA -0.242 3.926 4.170 -0.003 0.000 0.251 122 I C 2.431 178.190 176.117 -0.597 0.000 1.133 122 I CA 1.238 62.163 61.300 -0.627 0.000 1.413 122 I CB -1.418 36.257 38.000 -0.540 0.000 1.073 122 I HN 0.270 nan 8.210 nan 0.000 0.424 123 T N 0.213 114.567 114.554 -0.333 0.000 2.698 123 T HA -0.109 4.239 4.350 -0.003 0.000 0.260 123 T C 1.919 176.538 174.700 -0.134 0.000 1.044 123 T CA 1.901 63.887 62.100 -0.190 0.000 1.149 123 T CB -0.334 68.476 68.868 -0.098 0.000 0.864 123 T HN 0.277 nan 8.240 nan 0.000 0.419 124 T N 2.123 116.610 114.554 -0.111 0.000 2.759 124 T HA -0.083 4.266 4.350 -0.003 0.000 0.269 124 T C 2.302 176.975 174.700 -0.044 0.000 1.042 124 T CA 1.236 63.305 62.100 -0.051 0.000 1.140 124 T CB -0.520 68.335 68.868 -0.022 0.000 0.864 124 T HN 0.411 nan 8.240 nan 0.000 0.455 125 A N 0.997 123.752 122.820 -0.108 0.000 1.873 125 A HA -0.139 4.179 4.320 -0.003 0.000 0.215 125 A C 1.919 179.531 177.584 0.046 0.000 1.186 125 A CA 1.581 53.583 52.037 -0.060 0.000 0.616 125 A CB -0.881 18.046 19.000 -0.122 0.000 0.823 125 A HN 0.715 nan 8.150 nan 0.000 0.442 126 H N -0.877 118.163 119.070 -0.050 0.000 2.462 126 H HA 0.093 4.647 4.556 -0.003 0.000 0.292 126 H C 2.421 177.727 175.328 -0.037 0.000 1.049 126 H CA 0.363 56.383 56.048 -0.047 0.000 1.334 126 H CB 0.037 29.772 29.762 -0.045 0.000 1.404 126 H HN 0.566 nan 8.280 nan 0.000 0.544 127 A N 1.380 124.250 122.820 0.084 0.000 1.978 127 A HA -0.171 4.147 4.320 -0.003 0.000 0.220 127 A C 1.849 179.452 177.584 0.033 0.000 1.170 127 A CA 1.480 53.543 52.037 0.043 0.000 0.636 127 A CB -0.077 18.936 19.000 0.021 0.000 0.810 127 A HN 0.308 nan 8.150 nan 0.000 0.448 128 K N -1.961 118.461 120.400 0.036 0.000 2.414 128 K HA 0.302 4.620 4.320 -0.003 0.000 0.204 128 K C 0.753 177.360 176.600 0.013 0.000 1.026 128 K CA 0.384 56.686 56.287 0.026 0.000 1.108 128 K CB 0.372 32.895 32.500 0.038 0.000 0.855 128 K HN 0.606 nan 8.250 nan 0.000 0.517 129 G N 1.926 110.733 108.800 0.012 0.000 2.143 129 G HA2 -0.214 3.745 3.960 -0.003 0.000 0.248 129 G HA3 -0.214 3.745 3.960 -0.003 0.000 0.248 129 G C 0.071 174.953 174.900 -0.031 0.000 0.991 129 G CA -0.218 44.866 45.100 -0.027 0.000 0.689 129 G HN 0.203 nan 8.290 nan 0.000 0.522 130 I N 1.007 121.584 120.570 0.013 0.000 2.325 130 I HA 0.302 4.470 4.170 -0.003 0.000 0.291 130 I C 0.867 177.023 176.117 0.065 0.000 1.019 130 I CA -0.396 60.904 61.300 -0.000 0.000 1.302 130 I CB 1.062 39.048 38.000 -0.023 0.000 1.401 130 I HN 0.067 nan 8.210 nan 0.000 0.485 131 K N 5.868 126.285 120.400 0.028 0.000 2.090 131 K HA 0.565 4.883 4.320 -0.003 0.000 0.250 131 K C -0.593 176.112 176.600 0.174 0.000 1.004 131 K CA -0.759 55.588 56.287 0.100 0.000 0.919 131 K CB 1.702 34.164 32.500 -0.064 0.000 1.045 131 K HN 0.348 nan 8.250 nan 0.000 0.471 132 I N 2.464 123.181 120.570 0.244 0.000 2.410 132 I HA 0.221 4.389 4.170 -0.003 0.000 0.286 132 I C -0.489 175.798 176.117 0.282 0.000 1.009 132 I CA -0.687 60.729 61.300 0.194 0.000 1.111 132 I CB 1.533 39.566 38.000 0.056 0.000 1.262 132 I HN 0.247 nan 8.210 nan 0.000 0.443 133 V N 7.320 127.408 119.914 0.291 0.000 2.513 133 V HA 0.580 4.698 4.120 -0.003 0.000 0.299 133 V C 0.126 176.372 176.094 0.253 0.000 1.035 133 V CA -0.632 61.815 62.300 0.244 0.000 0.889 133 V CB 2.546 34.499 31.823 0.216 0.000 0.988 133 V HN 0.642 nan 8.190 nan 0.000 0.440 134 I N -0.151 120.525 120.570 0.177 0.000 3.002 134 I HA 0.737 4.905 4.170 -0.003 0.000 0.310 134 I C -0.994 175.225 176.117 0.170 0.000 1.087 134 I CA -0.840 60.592 61.300 0.220 0.000 1.017 134 I CB 2.506 40.611 38.000 0.175 0.000 1.226 134 I HN 0.331 nan 8.210 nan 0.000 0.443 135 D N 2.416 122.959 120.400 0.239 0.000 2.253 135 D HA 0.496 5.134 4.640 -0.003 0.000 0.249 135 D C -1.494 174.982 176.300 0.293 0.000 1.049 135 D CA 0.438 54.582 54.000 0.240 0.000 0.929 135 D CB 2.013 42.958 40.800 0.243 0.000 1.176 135 D HN 0.488 nan 8.370 nan 0.000 0.437 136 F N 0.715 120.715 119.950 0.083 0.000 2.991 136 F HA 0.383 4.908 4.527 -0.003 0.000 0.355 136 F C -1.013 174.863 175.800 0.127 0.000 1.262 136 F CA -0.717 57.364 58.000 0.136 0.000 1.127 136 F CB 1.194 40.300 39.000 0.178 0.000 1.447 136 F HN 0.319 nan 8.300 nan 0.000 0.584 137 A N 7.238 130.103 122.820 0.075 0.000 2.736 137 A HA 0.480 4.799 4.320 -0.003 0.000 0.335 137 A C -2.069 175.423 177.584 -0.153 0.000 1.446 137 A CA -1.220 50.816 52.037 -0.002 0.000 1.028 137 A CB -0.350 18.647 19.000 -0.005 0.000 1.154 137 A HN 0.439 nan 8.150 nan 0.000 0.507 138 P HA -0.070 nan 4.420 nan 0.000 0.252 138 P C 0.619 177.640 177.300 -0.464 0.000 1.265 138 P CA 0.412 62.940 63.100 -0.955 0.000 0.775 138 P CB 0.239 30.992 31.700 -1.578 0.000 1.128 139 N N 1.009 119.605 118.700 -0.173 0.000 2.171 139 N HA -0.114 4.624 4.740 -0.003 0.000 0.184 139 N C 0.909 176.584 175.510 0.276 0.000 1.021 139 N CA 0.999 54.101 53.050 0.087 0.000 0.854 139 N CB -0.093 38.477 38.487 0.139 0.000 0.994 139 N HN 0.348 nan 8.380 nan 0.000 0.426 140 H N -4.713 114.582 119.070 0.376 0.000 2.928 140 H HA 0.325 4.879 4.556 -0.003 0.000 0.285 140 H C -0.068 175.454 175.328 0.324 0.000 1.438 140 H CA -0.109 56.066 56.048 0.212 0.000 1.176 140 H CB 0.581 30.363 29.762 0.034 0.000 1.864 140 H HN 0.047 nan 8.280 nan 0.000 0.567 141 T N -0.414 114.269 114.554 0.215 0.000 2.757 141 T HA 0.335 4.683 4.350 -0.003 0.000 0.179 141 T C 0.753 175.606 174.700 0.255 0.000 0.705 141 T CA 0.473 62.717 62.100 0.241 0.000 1.952 141 T CB -0.609 68.296 68.868 0.063 0.000 2.670 141 T HN 0.760 nan 8.240 nan 0.000 0.404 142 S N 1.243 116.956 115.700 0.021 0.000 2.806 142 S HA 0.728 5.196 4.470 -0.003 0.000 0.315 142 S C -3.142 171.248 174.600 -0.349 0.000 1.127 142 S CA -1.699 56.433 58.200 -0.113 0.000 0.918 142 S CB 0.994 64.161 63.200 -0.056 0.000 1.240 142 S HN 0.304 nan 8.310 nan 0.000 0.552 143 P HA 0.535 nan 4.420 nan 0.000 0.275 143 P C -1.378 175.840 177.300 -0.137 0.000 1.227 143 P CA -0.041 62.850 63.100 -0.349 0.000 0.781 143 P CB 0.764 32.298 31.700 -0.277 0.000 0.906 144 A N 3.404 126.110 122.820 -0.190 0.000 2.459 144 A HA 0.671 4.989 4.320 -0.003 0.000 0.296 144 A C -1.055 176.415 177.584 -0.190 0.000 1.039 144 A CA -0.594 51.362 52.037 -0.134 0.000 0.698 144 A CB 1.001 19.800 19.000 -0.335 0.000 1.261 144 A HN 0.502 nan 8.150 nan 0.000 0.405 145 M N 1.942 121.501 119.600 -0.068 0.000 2.209 145 M HA 0.322 4.801 4.480 -0.003 0.000 0.355 145 M C 0.955 177.292 176.300 0.061 0.000 1.171 145 M CA -0.124 55.087 55.300 -0.149 0.000 1.069 145 M CB 1.225 33.645 32.600 -0.300 0.000 1.622 145 M HN 0.954 nan 8.290 nan 0.000 0.459 146 E N 1.182 121.461 120.200 0.131 0.000 2.086 146 E HA -0.126 4.223 4.350 -0.003 0.000 0.190 146 E C 1.134 177.747 176.600 0.022 0.000 0.975 146 E CA 1.694 58.164 56.400 0.116 0.000 0.813 146 E CB 0.305 30.033 29.700 0.046 0.000 0.768 146 E HN 0.955 nan 8.360 nan 0.000 0.457 147 T N -0.779 113.772 114.554 -0.004 0.000 2.833 147 T HA -0.157 4.191 4.350 -0.003 0.000 0.269 147 T C 0.724 175.419 174.700 -0.008 0.000 1.054 147 T CA 1.130 63.219 62.100 -0.019 0.000 1.135 147 T CB -0.106 68.742 68.868 -0.034 0.000 0.869 147 T HN -0.019 nan 8.240 nan 0.000 0.466 148 D N 1.265 121.664 120.400 -0.002 0.000 2.440 148 D HA 0.339 4.978 4.640 -0.003 0.000 0.239 148 D C 0.916 177.259 176.300 0.072 0.000 1.084 148 D CA -0.426 53.590 54.000 0.027 0.000 0.843 148 D CB 1.685 42.499 40.800 0.024 0.000 1.097 148 D HN 0.136 nan 8.370 nan 0.000 0.531 149 T N -0.242 114.347 114.554 0.059 0.000 3.067 149 T HA -0.077 4.271 4.350 -0.003 0.000 0.261 149 T C 1.660 176.403 174.700 0.071 0.000 1.110 149 T CA 0.658 62.796 62.100 0.063 0.000 1.113 149 T CB -0.111 68.780 68.868 0.039 0.000 0.917 149 T HN 0.345 nan 8.240 nan 0.000 0.499 150 S N 0.534 116.279 115.700 0.075 0.000 2.603 150 S HA 0.185 4.654 4.470 -0.003 0.000 0.220 150 S C 0.174 174.813 174.600 0.065 0.000 0.967 150 S CA -0.690 57.544 58.200 0.057 0.000 0.920 150 S CB -0.814 62.413 63.200 0.044 0.000 0.773 150 S HN 0.467 nan 8.310 nan 0.000 0.529 151 F N 3.186 123.109 119.950 -0.045 0.000 2.411 151 F HA 0.602 5.128 4.527 -0.003 0.000 0.355 151 F C 0.863 176.614 175.800 -0.081 0.000 1.117 151 F CA -0.239 57.716 58.000 -0.074 0.000 1.139 151 F CB 0.357 39.306 39.000 -0.086 0.000 1.120 151 F HN 0.420 nan 8.300 nan 0.000 0.493 152 A N 4.784 127.193 122.820 -0.685 0.000 5.584 152 A HA -0.339 3.979 4.320 -0.003 0.000 0.303 152 A C 0.800 178.288 177.584 -0.160 0.000 1.923 152 A CA 1.422 53.186 52.037 -0.455 0.000 0.717 152 A CB -1.367 17.328 19.000 -0.509 0.000 1.281 152 A HN 0.810 nan 8.150 nan 0.000 0.379 153 E N 1.091 121.239 120.200 -0.087 0.000 2.609 153 E HA 0.255 4.603 4.350 -0.003 0.000 0.208 153 E C 0.336 176.937 176.600 0.002 0.000 1.013 153 E CA 0.349 56.746 56.400 -0.005 0.000 1.093 153 E CB -0.162 29.564 29.700 0.043 0.000 1.129 153 E HN 0.659 nan 8.360 nan 0.000 0.450 154 N N 0.852 119.551 118.700 -0.002 0.000 2.710 154 N HA -0.269 4.470 4.740 -0.003 0.000 0.249 154 N C 0.844 176.307 175.510 -0.078 0.000 1.059 154 N CA 0.334 53.388 53.050 0.006 0.000 0.720 154 N CB -0.797 37.710 38.487 0.034 0.000 0.983 154 N HN 0.607 nan 8.380 nan 0.000 0.544 155 G N 0.130 108.850 108.800 -0.133 0.000 2.219 155 G HA2 -0.393 3.565 3.960 -0.003 0.000 0.271 155 G HA3 -0.393 3.565 3.960 -0.003 0.000 0.271 155 G C 0.305 175.133 174.900 -0.120 0.000 0.991 155 G CA 0.915 45.881 45.100 -0.223 0.000 0.685 155 G HN 0.700 nan 8.290 nan 0.000 0.531 156 R N -0.754 119.725 120.500 -0.035 0.000 2.474 156 R HA 0.144 4.482 4.340 -0.003 0.000 0.290 156 R C 0.318 176.611 176.300 -0.012 0.000 0.918 156 R CA 0.271 56.353 56.100 -0.030 0.000 1.130 156 R CB 0.199 30.462 30.300 -0.062 0.000 0.881 156 R HN 0.377 nan 8.270 nan 0.000 0.416 157 L N 4.541 125.733 121.223 -0.052 0.000 2.296 157 L HA 0.354 4.692 4.340 -0.003 0.000 0.286 157 L C -1.176 175.507 176.870 -0.311 0.000 1.023 157 L CA -0.390 54.447 54.840 -0.006 0.000 0.812 157 L CB 0.823 42.951 42.059 0.116 0.000 1.223 157 L HN 0.373 nan 8.230 nan 0.000 0.421 158 Y N 2.095 122.408 120.300 0.022 0.000 2.518 158 Y HA 0.590 5.139 4.550 -0.003 0.000 0.332 158 Y C -0.196 175.717 175.900 0.022 0.000 1.276 158 Y CA -0.440 57.664 58.100 0.006 0.000 1.418 158 Y CB 0.891 39.367 38.460 0.027 0.000 1.527 158 Y HN 0.632 nan 8.280 nan 0.000 0.549 159 D N 0.404 120.956 120.400 0.254 0.000 2.319 159 D HA 0.113 4.751 4.640 -0.003 0.000 0.237 159 D C -1.145 175.299 176.300 0.240 0.000 1.353 159 D CA -0.507 53.675 54.000 0.305 0.000 0.992 159 D CB -0.065 40.833 40.800 0.164 0.000 1.368 159 D HN 0.498 nan 8.370 nan 0.000 0.564 160 N N 3.390 122.231 118.700 0.234 0.000 2.689 160 N HA -0.238 4.500 4.740 -0.003 0.000 0.263 160 N C 1.041 176.616 175.510 0.108 0.000 0.987 160 N CA 2.347 55.479 53.050 0.137 0.000 0.782 160 N CB -0.956 37.585 38.487 0.090 0.000 0.903 160 N HN 1.001 nan 8.380 nan 0.000 0.547 161 G N -1.933 106.938 108.800 0.119 0.000 2.659 161 G HA2 -0.272 3.687 3.960 -0.003 0.000 0.212 161 G HA3 -0.272 3.687 3.960 -0.003 0.000 0.212 161 G C 0.176 175.197 174.900 0.203 0.000 1.226 161 G CA 0.248 45.400 45.100 0.087 0.000 0.739 161 G HN 0.739 nan 8.290 nan 0.000 0.528 162 T N 2.732 117.399 114.554 0.188 0.000 2.814 162 T HA 0.510 4.858 4.350 -0.003 0.000 0.297 162 T C 0.231 175.040 174.700 0.181 0.000 0.956 162 T CA 0.131 62.334 62.100 0.172 0.000 1.123 162 T CB 2.062 70.984 68.868 0.090 0.000 0.902 162 T HN 0.848 nan 8.240 nan 0.000 0.528 163 L N 5.047 126.337 121.223 0.111 0.000 2.367 163 L HA 0.268 4.606 4.340 -0.003 0.000 0.275 163 L C 0.913 177.659 176.870 -0.207 0.000 1.129 163 L CA 0.261 54.935 54.840 -0.277 0.000 0.839 163 L CB 0.628 42.448 42.059 -0.399 0.000 1.133 163 L HN 0.514 nan 8.230 nan 0.000 0.453 164 V N 4.065 123.800 119.914 -0.299 0.000 2.374 164 V HA 0.487 4.606 4.120 -0.003 0.000 0.241 164 V C 1.027 177.036 176.094 -0.142 0.000 1.034 164 V CA 0.923 63.056 62.300 -0.279 0.000 1.037 164 V CB -0.340 31.170 31.823 -0.523 0.000 0.682 164 V HN 1.023 nan 8.190 nan 0.000 0.463 165 G N -1.701 107.029 108.800 -0.118 0.000 2.404 165 G HA2 0.507 4.466 3.960 -0.003 0.000 0.298 165 G HA3 0.507 4.466 3.960 -0.003 0.000 0.298 165 G C -0.681 174.358 174.900 0.232 0.000 1.577 165 G CA -0.122 45.048 45.100 0.117 0.000 0.847 165 G HN 0.472 nan 8.290 nan 0.000 0.598 166 G N -1.114 107.812 108.800 0.211 0.000 2.613 166 G HA2 0.481 4.440 3.960 -0.003 0.000 0.303 166 G HA3 0.481 4.440 3.960 -0.003 0.000 0.303 166 G C 0.464 175.480 174.900 0.192 0.000 1.312 166 G CA -0.350 44.841 45.100 0.152 0.000 1.036 166 G HN 0.601 nan 8.290 nan 0.000 0.513 167 Y N 0.264 120.422 120.300 -0.237 0.000 2.200 167 Y HA 0.044 4.593 4.550 -0.003 0.000 0.290 167 Y C 1.982 177.910 175.900 0.046 0.000 1.137 167 Y CA 1.339 59.259 58.100 -0.299 0.000 1.163 167 Y CB -0.318 37.864 38.460 -0.462 0.000 0.988 167 Y HN 0.339 nan 8.280 nan 0.000 0.518 168 T N 1.589 116.150 114.554 0.012 0.000 2.904 168 T HA 0.097 4.445 4.350 -0.003 0.000 0.290 168 T C 0.021 174.712 174.700 -0.014 0.000 1.018 168 T CA -0.194 61.886 62.100 -0.032 0.000 1.075 168 T CB 0.504 69.370 68.868 -0.005 0.000 0.986 168 T HN 0.257 nan 8.240 nan 0.000 0.523 169 N N 1.362 120.027 118.700 -0.059 0.000 2.727 169 N HA -0.154 4.584 4.740 -0.003 0.000 0.249 169 N C -0.712 174.774 175.510 -0.040 0.000 1.048 169 N CA 0.625 53.639 53.050 -0.060 0.000 0.714 169 N CB -0.971 37.497 38.487 -0.031 0.000 0.959 169 N HN 0.789 nan 8.380 nan 0.000 0.544 170 D N -0.363 120.005 120.400 -0.053 0.000 2.563 170 D HA 0.188 4.827 4.640 -0.003 0.000 0.222 170 D C 1.536 177.731 176.300 -0.176 0.000 1.145 170 D CA 0.227 54.223 54.000 -0.007 0.000 1.001 170 D CB 0.112 41.063 40.800 0.251 0.000 1.049 170 D HN 0.324 nan 8.370 nan 0.000 0.515 171 T N 0.104 114.555 114.554 -0.170 0.000 2.759 171 T HA -0.199 4.149 4.350 -0.003 0.000 0.269 171 T C 1.299 175.849 174.700 -0.250 0.000 1.042 171 T CA 0.882 62.866 62.100 -0.192 0.000 1.140 171 T CB -0.201 68.586 68.868 -0.134 0.000 0.864 171 T HN 0.312 nan 8.240 nan 0.000 0.455 172 N N 1.697 120.171 118.700 -0.377 0.000 2.494 172 N HA 0.117 4.855 4.740 -0.003 0.000 0.182 172 N C 1.461 176.648 175.510 -0.538 0.000 1.076 172 N CA 0.730 53.471 53.050 -0.515 0.000 0.908 172 N CB -0.211 37.789 38.487 -0.812 0.000 0.967 172 N HN 0.724 nan 8.380 nan 0.000 0.449 173 G N 1.118 109.655 108.800 -0.439 0.000 2.256 173 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.272 173 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.272 173 G C 0.251 175.045 174.900 -0.177 0.000 1.076 173 G CA 0.060 45.029 45.100 -0.218 0.000 0.882 173 G HN 0.265 nan 8.290 nan 0.000 0.497 174 Y N -0.673 119.564 120.300 -0.105 0.000 2.163 174 Y HA 0.292 4.840 4.550 -0.003 0.000 0.288 174 Y C 1.904 177.549 175.900 -0.425 0.000 1.136 174 Y CA 0.793 58.687 58.100 -0.343 0.000 1.147 174 Y CB -0.478 37.611 38.460 -0.619 0.000 0.987 174 Y HN 0.369 nan 8.280 nan 0.000 0.509 175 F N -1.334 118.741 119.950 0.208 0.000 2.410 175 F HA 0.354 4.879 4.527 -0.003 0.000 0.324 175 F C 0.428 176.303 175.800 0.126 0.000 1.093 175 F CA -1.249 56.777 58.000 0.043 0.000 1.028 175 F CB 0.283 39.297 39.000 0.024 0.000 1.309 175 F HN -0.137 nan 8.300 nan 0.000 0.499 176 H N -0.453 118.749 119.070 0.220 0.000 2.472 176 H HA 0.305 4.859 4.556 -0.003 0.000 0.335 176 H C -0.579 174.775 175.328 0.044 0.000 1.136 176 H CA -0.580 55.565 56.048 0.161 0.000 1.264 176 H CB 0.884 30.724 29.762 0.130 0.000 1.486 176 H HN 0.513 nan 8.280 nan 0.000 0.517 177 H N 2.551 121.727 119.070 0.177 0.000 2.551 177 H HA 0.097 4.652 4.556 -0.003 0.000 0.238 177 H C -0.220 175.111 175.328 0.006 0.000 1.345 177 H CA -0.087 55.999 56.048 0.064 0.000 1.105 177 H CB 0.148 29.842 29.762 -0.113 0.000 1.805 177 H HN 0.698 nan 8.280 nan 0.000 0.553 178 N N 0.323 119.070 118.700 0.078 0.000 2.230 178 N HA 0.195 4.934 4.740 -0.003 0.000 0.202 178 N C 1.124 176.617 175.510 -0.029 0.000 1.119 178 N CA 0.438 53.478 53.050 -0.018 0.000 0.851 178 N CB 1.429 39.867 38.487 -0.082 0.000 0.990 178 N HN 0.551 nan 8.380 nan 0.000 0.497 179 G N -0.284 108.518 108.800 0.003 0.000 2.508 179 G HA2 -0.054 3.904 3.960 -0.003 0.000 0.220 179 G HA3 -0.054 3.904 3.960 -0.003 0.000 0.220 179 G C -0.159 174.686 174.900 -0.091 0.000 1.287 179 G CA -0.641 44.435 45.100 -0.039 0.000 0.916 179 G HN 0.393 nan 8.290 nan 0.000 0.574 180 G N -0.993 107.720 108.800 -0.145 0.000 2.441 180 G HA2 0.664 4.622 3.960 -0.003 0.000 0.334 180 G HA3 0.664 4.622 3.960 -0.003 0.000 0.334 180 G C 0.060 174.763 174.900 -0.329 0.000 1.161 180 G CA 1.040 46.003 45.100 -0.228 0.000 0.935 180 G HN 1.587 nan 8.290 nan 0.000 0.488 181 S N -0.775 114.612 115.700 -0.521 0.000 2.455 181 S HA 0.153 4.621 4.470 -0.003 0.000 0.278 181 S C 1.011 175.035 174.600 -0.961 0.000 1.216 181 S CA -0.179 57.564 58.200 -0.762 0.000 1.055 181 S CB 0.488 63.079 63.200 -1.016 0.000 0.939 181 S HN 0.632 nan 8.310 nan 0.000 0.494 182 D N 3.726 123.798 120.400 -0.546 0.000 2.328 182 D HA 0.053 4.691 4.640 -0.003 0.000 0.226 182 D C 0.241 176.425 176.300 -0.193 0.000 1.066 182 D CA -0.105 53.696 54.000 -0.332 0.000 0.861 182 D CB -0.553 40.150 40.800 -0.162 0.000 0.912 182 D HN 0.533 nan 8.370 nan 0.000 0.521 183 F N -0.432 119.448 119.950 -0.118 0.000 3.006 183 F HA -0.320 4.205 4.527 -0.003 0.000 0.289 183 F C 1.865 177.629 175.800 -0.060 0.000 0.772 183 F CA 0.673 58.617 58.000 -0.094 0.000 1.162 183 F CB -2.560 36.369 39.000 -0.118 0.000 1.382 183 F HN 0.216 nan 8.300 nan 0.000 0.406 184 S N -1.467 114.249 115.700 0.028 0.000 2.387 184 S HA 0.108 4.577 4.470 -0.003 0.000 0.226 184 S C 0.994 175.613 174.600 0.031 0.000 1.026 184 S CA 0.725 58.941 58.200 0.028 0.000 0.972 184 S CB -0.001 63.194 63.200 -0.009 0.000 0.814 184 S HN 0.646 nan 8.310 nan 0.000 0.477 185 S N -0.059 115.645 115.700 0.007 0.000 2.709 185 S HA 0.665 5.134 4.470 -0.003 0.000 0.302 185 S C 0.320 174.918 174.600 -0.004 0.000 1.127 185 S CA -0.808 57.401 58.200 0.015 0.000 0.905 185 S CB 1.236 64.433 63.200 -0.003 0.000 1.151 185 S HN 0.105 nan 8.310 nan 0.000 0.510 186 L N 0.887 122.117 121.223 0.011 0.000 2.156 186 L HA 0.204 4.542 4.340 -0.003 0.000 0.208 186 L C 2.463 179.203 176.870 -0.217 0.000 1.095 186 L CA 1.894 56.714 54.840 -0.034 0.000 0.770 186 L CB -0.800 41.337 42.059 0.131 0.000 0.914 186 L HN 1.001 nan 8.230 nan 0.000 0.439 187 E N -0.567 119.437 120.200 -0.327 0.000 2.028 187 E HA -0.279 4.069 4.350 -0.003 0.000 0.191 187 E C 2.028 178.482 176.600 -0.243 0.000 0.988 187 E CA 1.353 57.413 56.400 -0.566 0.000 0.799 187 E CB -0.185 29.200 29.700 -0.525 0.000 0.755 187 E HN 0.666 nan 8.360 nan 0.000 0.447 188 N N -0.819 117.789 118.700 -0.155 0.000 2.094 188 N HA -0.159 4.579 4.740 -0.003 0.000 0.191 188 N C 1.874 177.279 175.510 -0.175 0.000 1.023 188 N CA 1.400 54.366 53.050 -0.140 0.000 0.857 188 N CB -0.205 38.199 38.487 -0.138 0.000 1.013 188 N HN 0.196 nan 8.380 nan 0.000 0.426 189 G N 0.418 109.138 108.800 -0.134 0.000 2.394 189 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.215 189 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.215 189 G C 1.496 176.418 174.900 0.037 0.000 1.165 189 G CA 0.449 45.541 45.100 -0.013 0.000 0.784 189 G HN 0.272 nan 8.290 nan 0.000 0.535 190 I N -0.466 120.005 120.570 -0.165 0.000 2.113 190 I HA -0.146 4.022 4.170 -0.003 0.000 0.238 190 I C 2.071 178.049 176.117 -0.232 0.000 1.070 190 I CA 1.034 62.154 61.300 -0.300 0.000 1.332 190 I CB -0.253 37.317 38.000 -0.717 0.000 1.044 190 I HN 0.114 nan 8.210 nan 0.000 0.402 191 Y N 1.107 121.407 120.300 -0.001 0.000 2.578 191 Y HA 0.142 4.690 4.550 -0.003 0.000 0.297 191 Y C 0.675 176.562 175.900 -0.022 0.000 1.176 191 Y CA 0.238 58.340 58.100 0.003 0.000 1.315 191 Y CB -0.513 37.849 38.460 -0.163 0.000 1.031 191 Y HN 0.058 nan 8.280 nan 0.000 0.524 192 K N 0.183 120.621 120.400 0.062 0.000 2.385 192 K HA 0.269 4.587 4.320 -0.003 0.000 0.248 192 K C -0.684 175.872 176.600 -0.073 0.000 0.955 192 K CA -1.277 54.997 56.287 -0.020 0.000 0.816 192 K CB 1.144 33.566 32.500 -0.131 0.000 1.250 192 K HN -0.158 nan 8.250 nan 0.000 0.434 193 N N 1.656 120.303 118.700 -0.090 0.000 2.292 193 N HA -0.072 4.666 4.740 -0.003 0.000 0.258 193 N C -0.625 174.749 175.510 -0.227 0.000 1.261 193 N CA 0.413 53.371 53.050 -0.153 0.000 0.845 193 N CB 0.251 38.623 38.487 -0.191 0.000 1.064 193 N HN 0.344 nan 8.380 nan 0.000 0.471 194 L N 4.824 125.929 121.223 -0.197 0.000 2.295 194 L HA 0.087 4.425 4.340 -0.003 0.000 0.288 194 L C 0.279 177.164 176.870 0.026 0.000 1.079 194 L CA 0.011 54.759 54.840 -0.153 0.000 0.830 194 L CB -0.558 41.425 42.059 -0.128 0.000 1.200 194 L HN 0.710 nan 8.230 nan 0.000 0.438 195 Y N 1.566 121.775 120.300 -0.151 0.000 2.802 195 Y HA -0.458 4.090 4.550 -0.003 0.000 0.472 195 Y C 1.333 177.117 175.900 -0.194 0.000 1.142 195 Y CA 1.875 59.892 58.100 -0.138 0.000 2.747 195 Y CB -0.863 37.509 38.460 -0.148 0.000 1.149 195 Y HN 0.783 nan 8.280 nan 0.000 0.613 196 D N -0.678 119.699 120.400 -0.037 0.000 2.497 196 D HA 0.208 4.846 4.640 -0.003 0.000 0.256 196 D C -0.381 175.737 176.300 -0.303 0.000 1.273 196 D CA -0.024 53.868 54.000 -0.179 0.000 0.812 196 D CB -0.638 40.083 40.800 -0.131 0.000 1.190 196 D HN 0.381 nan 8.370 nan 0.000 0.524 197 L N 1.712 122.758 121.223 -0.296 0.000 2.534 197 L HA 0.323 4.662 4.340 -0.003 0.000 0.271 197 L C 0.731 177.352 176.870 -0.415 0.000 1.178 197 L CA -0.464 54.139 54.840 -0.395 0.000 0.907 197 L CB 0.518 42.249 42.059 -0.547 0.000 1.164 197 L HN 0.093 nan 8.230 nan 0.000 0.482 198 A N 3.610 126.113 122.820 -0.529 0.000 2.524 198 A HA -0.043 4.276 4.320 -0.003 0.000 0.271 198 A C 0.071 177.471 177.584 -0.308 0.000 1.097 198 A CA -0.129 51.464 52.037 -0.739 0.000 0.791 198 A CB -0.416 17.977 19.000 -1.012 0.000 1.028 198 A HN 0.735 nan 8.150 nan 0.000 0.518 199 D N 1.909 122.206 120.400 -0.173 0.000 2.348 199 D HA 0.429 5.067 4.640 -0.003 0.000 0.253 199 D C -0.175 176.131 176.300 0.011 0.000 1.161 199 D CA 0.374 54.375 54.000 0.002 0.000 0.876 199 D CB 0.161 41.007 40.800 0.076 0.000 1.160 199 D HN 0.352 nan 8.370 nan 0.000 0.459 200 F N 2.159 122.058 119.950 -0.084 0.000 2.403 200 F HA 0.226 4.751 4.527 -0.003 0.000 0.320 200 F C 1.124 176.447 175.800 -0.795 0.000 1.176 200 F CA -0.447 57.305 58.000 -0.413 0.000 1.206 200 F CB 0.535 39.153 39.000 -0.636 0.000 1.235 200 F HN 0.262 nan 8.300 nan 0.000 0.565 201 N N 0.317 118.752 118.700 -0.443 0.000 2.706 201 N HA 0.164 4.902 4.740 -0.003 0.000 0.240 201 N C -0.052 175.280 175.510 -0.297 0.000 1.039 201 N CA -0.286 52.517 53.050 -0.412 0.000 0.888 201 N CB -0.135 38.319 38.487 -0.056 0.000 1.128 201 N HN 0.479 nan 8.380 nan 0.000 0.512 202 H N 0.545 119.463 119.070 -0.252 0.000 2.545 202 H HA 0.029 4.583 4.556 -0.003 0.000 0.282 202 H C 1.554 176.797 175.328 -0.142 0.000 1.020 202 H CA 0.689 56.464 56.048 -0.454 0.000 1.243 202 H CB 0.295 29.344 29.762 -1.189 0.000 1.377 202 H HN 0.564 nan 8.280 nan 0.000 0.581 203 N N 1.133 119.899 118.700 0.109 0.000 2.396 203 N HA -0.127 4.611 4.740 -0.003 0.000 0.180 203 N C 0.177 175.756 175.510 0.116 0.000 1.028 203 N CA 0.083 53.232 53.050 0.166 0.000 0.893 203 N CB -0.008 38.589 38.487 0.182 0.000 0.967 203 N HN 0.318 nan 8.380 nan 0.000 0.440 204 N N 0.226 118.966 118.700 0.065 0.000 2.452 204 N HA 0.118 4.856 4.740 -0.003 0.000 0.266 204 N C 0.889 176.445 175.510 0.076 0.000 1.175 204 N CA 0.034 53.121 53.050 0.063 0.000 0.945 204 N CB 1.152 39.678 38.487 0.065 0.000 1.063 204 N HN 0.088 nan 8.380 nan 0.000 0.472 205 A N 2.796 125.672 122.820 0.093 0.000 1.917 205 A HA -0.217 4.102 4.320 -0.003 0.000 0.219 205 A C 2.003 179.634 177.584 0.079 0.000 1.182 205 A CA 2.260 54.359 52.037 0.103 0.000 0.633 205 A CB -1.210 17.847 19.000 0.095 0.000 0.819 205 A HN 0.813 nan 8.150 nan 0.000 0.448 206 T N -0.166 114.425 114.554 0.061 0.000 2.788 206 T HA -0.107 4.241 4.350 -0.003 0.000 0.268 206 T C 1.717 176.353 174.700 -0.106 0.000 1.044 206 T CA 1.372 63.471 62.100 -0.003 0.000 1.139 206 T CB -0.335 68.534 68.868 0.001 0.000 0.867 206 T HN 0.305 nan 8.240 nan 0.000 0.454 207 I N 2.170 122.644 120.570 -0.159 0.000 2.286 207 I HA -0.054 4.114 4.170 -0.003 0.000 0.245 207 I C 2.366 178.413 176.117 -0.116 0.000 1.104 207 I CA 1.163 62.253 61.300 -0.351 0.000 1.397 207 I CB -1.340 36.407 38.000 -0.421 0.000 1.072 207 I HN 0.302 nan 8.210 nan 0.000 0.417 208 D N 1.300 121.750 120.400 0.084 0.000 2.087 208 D HA -0.295 4.343 4.640 -0.003 0.000 0.192 208 D C 2.252 178.746 176.300 0.323 0.000 0.993 208 D CA 1.980 56.197 54.000 0.361 0.000 0.828 208 D CB 0.075 41.096 40.800 0.369 0.000 0.968 208 D HN 0.165 nan 8.370 nan 0.000 0.448 209 K N -1.069 119.442 120.400 0.185 0.000 2.032 209 K HA -0.271 4.048 4.320 -0.003 0.000 0.209 209 K C 2.205 178.871 176.600 0.109 0.000 1.048 209 K CA 1.426 57.797 56.287 0.139 0.000 0.927 209 K CB -0.724 31.830 32.500 0.091 0.000 0.712 209 K HN 0.323 nan 8.250 nan 0.000 0.441 210 Y N 0.427 120.655 120.300 -0.120 0.000 2.014 210 Y HA -0.290 4.259 4.550 -0.003 0.000 0.272 210 Y C 1.700 177.511 175.900 -0.149 0.000 1.164 210 Y CA 2.287 60.236 58.100 -0.252 0.000 1.114 210 Y CB -0.684 37.427 38.460 -0.581 0.000 0.961 210 Y HN 0.096 nan 8.280 nan 0.000 0.489 211 F N 0.749 120.676 119.950 -0.038 0.000 2.202 211 F HA -0.214 4.311 4.527 -0.003 0.000 0.301 211 F C 2.251 178.206 175.800 0.257 0.000 1.082 211 F CA 1.551 59.548 58.000 -0.004 0.000 1.313 211 F CB -0.652 38.344 39.000 -0.006 0.000 1.024 211 F HN 0.053 nan 8.300 nan 0.000 0.495 212 K N 0.132 120.786 120.400 0.424 0.000 2.026 212 K HA -0.156 4.162 4.320 -0.003 0.000 0.208 212 K C 1.682 178.368 176.600 0.143 0.000 1.048 212 K CA 1.604 58.084 56.287 0.321 0.000 0.929 212 K CB -0.752 31.869 32.500 0.202 0.000 0.713 212 K HN 0.225 nan 8.250 nan 0.000 0.439 213 D N 0.867 121.299 120.400 0.054 0.000 2.117 213 D HA -0.108 4.531 4.640 -0.003 0.000 0.197 213 D C 1.870 178.162 176.300 -0.014 0.000 0.987 213 D CA 1.323 55.309 54.000 -0.024 0.000 0.829 213 D CB -0.178 40.586 40.800 -0.061 0.000 0.961 213 D HN 0.177 nan 8.370 nan 0.000 0.460 214 A N 0.751 123.562 122.820 -0.015 0.000 1.877 214 A HA -0.151 4.167 4.320 -0.003 0.000 0.216 214 A C 2.236 180.057 177.584 0.395 0.000 1.186 214 A CA 0.952 53.083 52.037 0.156 0.000 0.620 214 A CB -0.686 18.400 19.000 0.144 0.000 0.822 214 A HN 0.182 nan 8.150 nan 0.000 0.443 215 I N -0.529 120.238 120.570 0.327 0.000 2.315 215 I HA -0.151 4.017 4.170 -0.003 0.000 0.248 215 I C 2.137 178.311 176.117 0.094 0.000 1.117 215 I CA 1.701 63.050 61.300 0.080 0.000 1.404 215 I CB -0.321 37.599 38.000 -0.132 0.000 1.071 215 I HN 0.240 nan 8.210 nan 0.000 0.419 216 K N 0.154 120.592 120.400 0.064 0.000 2.113 216 K HA -0.201 4.118 4.320 -0.003 0.000 0.208 216 K C 2.107 178.761 176.600 0.090 0.000 1.047 216 K CA 1.564 57.883 56.287 0.054 0.000 0.928 216 K CB -0.481 31.947 32.500 -0.120 0.000 0.716 216 K HN 0.402 nan 8.250 nan 0.000 0.446 217 L N -0.728 120.495 121.223 0.000 0.000 1.948 217 L HA -0.213 4.126 4.340 -0.003 0.000 0.212 217 L C 1.802 178.582 176.870 -0.149 0.000 1.074 217 L CA 1.908 56.661 54.840 -0.146 0.000 0.753 217 L CB -0.437 41.418 42.059 -0.341 0.000 0.888 217 L HN 0.374 nan 8.230 nan 0.000 0.432 218 W N 0.152 121.474 121.300 0.036 0.000 2.325 218 W HA -0.247 4.411 4.660 -0.003 0.000 0.299 218 W C 2.437 178.989 176.519 0.056 0.000 1.215 218 W CA 0.775 58.133 57.345 0.021 0.000 1.244 218 W CB -0.602 28.865 29.460 0.011 0.000 1.140 218 W HN 0.176 nan 8.180 nan 0.000 0.523 219 L N -0.439 120.911 121.223 0.213 0.000 2.005 219 L HA -0.202 4.137 4.340 -0.003 0.000 0.207 219 L C 2.198 179.129 176.870 0.101 0.000 1.072 219 L CA 1.295 56.217 54.840 0.136 0.000 0.744 219 L CB -0.966 41.149 42.059 0.094 0.000 0.895 219 L HN -0.146 nan 8.230 nan 0.000 0.433 220 D N -0.224 120.238 120.400 0.103 0.000 2.239 220 D HA -0.215 4.424 4.640 -0.003 0.000 0.202 220 D C 2.202 178.539 176.300 0.062 0.000 0.993 220 D CA 1.335 55.376 54.000 0.069 0.000 0.874 220 D CB 0.004 40.865 40.800 0.102 0.000 0.922 220 D HN 0.302 nan 8.370 nan 0.000 0.464 221 M N -1.756 117.901 119.600 0.094 0.000 2.447 221 M HA 0.082 4.561 4.480 -0.003 0.000 0.264 221 M C 1.343 177.755 176.300 0.187 0.000 1.095 221 M CA 1.092 56.475 55.300 0.138 0.000 1.125 221 M CB 0.777 33.482 32.600 0.174 0.000 1.389 221 M HN 0.179 nan 8.290 nan 0.000 0.459 222 G N 0.384 109.306 108.800 0.202 0.000 2.559 222 G HA2 -0.127 3.832 3.960 -0.003 0.000 0.202 222 G HA3 -0.127 3.832 3.960 -0.003 0.000 0.202 222 G C 0.094 175.153 174.900 0.265 0.000 0.992 222 G CA -0.086 45.142 45.100 0.214 0.000 0.764 222 G HN 0.354 nan 8.290 nan 0.000 0.525 223 V N -0.493 119.594 119.914 0.289 0.000 2.694 223 V HA 0.436 4.554 4.120 -0.003 0.000 0.306 223 V C 0.787 177.029 176.094 0.245 0.000 1.054 223 V CA 0.985 63.456 62.300 0.284 0.000 1.161 223 V CB 1.175 33.170 31.823 0.287 0.000 0.916 223 V HN 0.140 nan 8.190 nan 0.000 0.490 224 D N 3.326 123.905 120.400 0.297 0.000 2.366 224 D HA 0.279 4.917 4.640 -0.003 0.000 0.205 224 D C 0.783 177.357 176.300 0.457 0.000 1.022 224 D CA 1.323 55.534 54.000 0.352 0.000 0.868 224 D CB 1.045 42.060 40.800 0.359 0.000 0.953 224 D HN 0.933 nan 8.370 nan 0.000 0.514 225 G N 0.300 109.285 108.800 0.308 0.000 2.718 225 G HA2 0.597 4.555 3.960 -0.003 0.000 0.295 225 G HA3 0.597 4.555 3.960 -0.003 0.000 0.295 225 G C -1.484 173.413 174.900 -0.007 0.000 1.421 225 G CA -0.609 44.556 45.100 0.110 0.000 0.902 225 G HN -0.027 nan 8.290 nan 0.000 0.501 226 I N 0.958 121.439 120.570 -0.149 0.000 2.498 226 I HA 0.517 4.685 4.170 -0.003 0.000 0.290 226 I C -0.285 175.533 176.117 -0.498 0.000 1.032 226 I CA -1.017 60.148 61.300 -0.226 0.000 1.073 226 I CB 2.402 40.264 38.000 -0.230 0.000 1.251 226 I HN 0.206 nan 8.210 nan 0.000 0.426 227 R N 5.901 126.068 120.500 -0.554 0.000 2.288 227 R HA 0.500 4.839 4.340 -0.003 0.000 0.326 227 R C -1.540 174.607 176.300 -0.255 0.000 0.959 227 R CA -0.596 54.964 56.100 -0.899 0.000 0.834 227 R CB 1.310 30.948 30.300 -1.103 0.000 1.157 227 R HN 0.435 nan 8.270 nan 0.000 0.470 228 V N 3.899 123.720 119.914 -0.155 0.000 2.498 228 V HA 0.481 4.599 4.120 -0.003 0.000 0.279 228 V C 0.610 176.758 176.094 0.090 0.000 1.048 228 V CA -0.678 61.681 62.300 0.099 0.000 0.967 228 V CB 1.275 33.234 31.823 0.227 0.000 0.988 228 V HN 0.816 nan 8.190 nan 0.000 0.473 229 A N 4.000 126.890 122.820 0.118 0.000 2.312 229 A HA 0.783 5.102 4.320 -0.003 0.000 0.328 229 A C 0.879 178.521 177.584 0.097 0.000 1.158 229 A CA -0.067 52.037 52.037 0.112 0.000 0.821 229 A CB 0.888 19.944 19.000 0.094 0.000 1.170 229 A HN 2.334 nan 8.150 nan 0.000 0.490 230 A N 0.550 123.436 122.820 0.111 0.000 2.791 230 A HA -0.122 4.196 4.320 -0.003 0.000 0.292 230 A C 1.145 178.755 177.584 0.043 0.000 1.487 230 A CA 1.264 53.391 52.037 0.150 0.000 0.760 230 A CB -2.588 16.558 19.000 0.243 0.000 1.031 230 A HN 2.224 nan 8.150 nan 0.000 0.503 231 V N -2.316 117.571 119.914 -0.044 0.000 2.913 231 V HA -0.099 4.020 4.120 -0.003 0.000 0.260 231 V C 1.831 177.715 176.094 -0.350 0.000 1.098 231 V CA 2.445 64.673 62.300 -0.120 0.000 1.121 231 V CB -0.615 31.129 31.823 -0.131 0.000 0.714 231 V HN 0.659 nan 8.190 nan 0.000 0.487 232 K N -0.523 119.503 120.400 -0.622 0.000 2.418 232 K HA -0.024 4.294 4.320 -0.003 0.000 0.195 232 K C 1.029 177.045 176.600 -0.973 0.000 1.035 232 K CA 0.618 56.203 56.287 -1.171 0.000 1.003 232 K CB -0.026 31.398 32.500 -1.793 0.000 0.793 232 K HN 0.697 nan 8.250 nan 0.000 0.494 233 H N -0.272 118.652 119.070 -0.243 0.000 2.467 233 H HA 0.285 4.840 4.556 -0.003 0.000 0.275 233 H C -0.444 174.825 175.328 -0.098 0.000 1.131 233 H CA -0.023 55.930 56.048 -0.158 0.000 0.989 233 H CB 0.139 29.855 29.762 -0.076 0.000 1.696 233 H HN 0.097 nan 8.280 nan 0.000 0.574 234 M N 0.695 120.280 119.600 -0.026 0.000 2.421 234 M HA 0.329 4.808 4.480 -0.003 0.000 0.287 234 M C -2.878 173.466 176.300 0.073 0.000 1.183 234 M CA -1.822 53.494 55.300 0.027 0.000 0.916 234 M CB 3.183 35.805 32.600 0.035 0.000 1.701 234 M HN -0.195 nan 8.290 nan 0.000 0.470 235 P HA 0.047 nan 4.420 nan 0.000 0.266 235 P C 0.436 177.932 177.300 0.327 0.000 1.195 235 P CA -0.054 63.175 63.100 0.215 0.000 0.768 235 P CB 0.676 32.557 31.700 0.302 0.000 0.838 236 L N 3.832 125.274 121.223 0.365 0.000 1.994 236 L HA -0.125 4.213 4.340 -0.003 0.000 0.208 236 L C 2.281 179.293 176.870 0.237 0.000 1.071 236 L CA 2.414 57.473 54.840 0.365 0.000 0.745 236 L CB -1.213 41.060 42.059 0.356 0.000 0.892 236 L HN 0.534 nan 8.230 nan 0.000 0.431 237 G N -0.608 108.349 108.800 0.263 0.000 2.513 237 G HA2 -0.404 3.554 3.960 -0.003 0.000 0.219 237 G HA3 -0.404 3.554 3.960 -0.003 0.000 0.219 237 G C 1.231 176.235 174.900 0.173 0.000 1.160 237 G CA 1.067 46.297 45.100 0.218 0.000 0.767 237 G HN 0.691 nan 8.290 nan 0.000 0.571 238 W N 1.416 122.794 121.300 0.130 0.000 2.358 238 W HA -0.049 4.609 4.660 -0.002 0.000 0.303 238 W C 2.921 179.477 176.519 0.061 0.000 1.208 238 W CA 1.733 59.124 57.345 0.077 0.000 1.274 238 W CB -0.091 29.375 29.460 0.010 0.000 1.138 238 W HN 0.335 nan 8.180 nan 0.000 0.515 239 Q N 0.077 119.850 119.800 -0.046 0.000 2.079 239 Q HA -0.226 4.112 4.340 -0.003 0.000 0.200 239 Q C 2.203 178.115 176.000 -0.145 0.000 0.974 239 Q CA 1.652 57.385 55.803 -0.118 0.000 0.840 239 Q CB -0.572 28.294 28.738 0.213 0.000 0.898 239 Q HN 0.318 nan 8.270 nan 0.000 0.430 240 K N 0.537 120.873 120.400 -0.107 0.000 2.147 240 K HA -0.148 4.170 4.320 -0.003 0.000 0.205 240 K C 2.224 178.720 176.600 -0.173 0.000 1.049 240 K CA 1.401 57.607 56.287 -0.135 0.000 0.936 240 K CB -0.066 32.381 32.500 -0.088 0.000 0.722 240 K HN 0.015 nan 8.250 nan 0.000 0.446 241 S N -0.045 115.535 115.700 -0.201 0.000 2.357 241 S HA -0.138 4.330 4.470 -0.003 0.000 0.221 241 S C 1.535 175.976 174.600 -0.265 0.000 1.031 241 S CA 0.907 58.985 58.200 -0.203 0.000 0.982 241 S CB -0.451 62.638 63.200 -0.185 0.000 0.853 241 S HN 0.606 nan 8.310 nan 0.000 0.458 242 W N 2.152 123.019 121.300 -0.721 0.000 2.321 242 W HA -0.148 4.510 4.660 -0.003 0.000 0.306 242 W C 1.890 178.107 176.519 -0.503 0.000 1.217 242 W CA 1.643 58.556 57.345 -0.721 0.000 1.257 242 W CB -0.555 28.246 29.460 -1.098 0.000 1.145 242 W HN 0.250 nan 8.180 nan 0.000 0.509 243 M N 0.653 119.985 119.600 -0.447 0.000 2.065 243 M HA -0.208 4.270 4.480 -0.003 0.000 0.259 243 M C 2.440 178.295 176.300 -0.742 0.000 1.071 243 M CA 2.447 57.309 55.300 -0.731 0.000 1.109 243 M CB -2.218 30.056 32.600 -0.543 0.000 1.313 243 M HN 0.236 nan 8.290 nan 0.000 0.408 244 S N -0.626 114.846 115.700 -0.381 0.000 2.420 244 S HA -0.152 4.317 4.470 -0.003 0.000 0.237 244 S C 2.124 176.617 174.600 -0.179 0.000 1.023 244 S CA 1.825 59.912 58.200 -0.188 0.000 0.991 244 S CB -0.827 62.320 63.200 -0.087 0.000 0.792 244 S HN 0.524 nan 8.310 nan 0.000 0.488 245 S N 1.207 116.760 115.700 -0.246 0.000 2.387 245 S HA 0.107 4.575 4.470 -0.003 0.000 0.226 245 S C 1.766 176.232 174.600 -0.224 0.000 1.026 245 S CA 0.799 58.888 58.200 -0.185 0.000 0.972 245 S CB -0.539 62.565 63.200 -0.159 0.000 0.814 245 S HN 0.632 nan 8.310 nan 0.000 0.477 246 I N 0.106 120.416 120.570 -0.434 0.000 2.333 246 I HA -0.072 4.097 4.170 -0.003 0.000 0.246 246 I C 1.734 177.767 176.117 -0.140 0.000 1.106 246 I CA 0.963 62.022 61.300 -0.400 0.000 1.411 246 I CB -0.515 37.050 38.000 -0.726 0.000 1.082 246 I HN 0.304 nan 8.210 nan 0.000 0.420 247 Y N 1.065 121.283 120.300 -0.138 0.000 2.497 247 Y HA -0.052 4.496 4.550 -0.003 0.000 0.292 247 Y C 2.498 178.377 175.900 -0.035 0.000 1.137 247 Y CA 0.390 58.444 58.100 -0.077 0.000 1.285 247 Y CB -1.062 37.354 38.460 -0.074 0.000 0.991 247 Y HN 0.130 nan 8.280 nan 0.000 0.556 248 A N -1.834 121.054 122.820 0.113 0.000 2.132 248 A HA -0.048 4.270 4.320 -0.003 0.000 0.213 248 A C 1.978 179.635 177.584 0.122 0.000 1.154 248 A CA 0.720 52.808 52.037 0.085 0.000 0.753 248 A CB -0.561 18.464 19.000 0.041 0.000 0.826 248 A HN 0.566 nan 8.150 nan 0.000 0.469 249 H N -0.616 118.447 119.070 -0.012 0.000 2.334 249 H HA 0.282 4.836 4.556 -0.003 0.000 0.315 249 H C -0.384 174.946 175.328 0.003 0.000 1.056 249 H CA 0.617 56.656 56.048 -0.016 0.000 1.418 249 H CB 0.325 30.062 29.762 -0.042 0.000 1.464 249 H HN 0.241 nan 8.280 nan 0.000 0.587 250 K N 1.642 122.008 120.400 -0.058 0.000 2.832 250 K HA 0.218 4.536 4.320 -0.003 0.000 0.243 250 K C -2.894 173.720 176.600 0.023 0.000 1.117 250 K CA -1.610 54.617 56.287 -0.100 0.000 1.068 250 K CB 2.559 34.937 32.500 -0.204 0.000 1.286 250 K HN 0.239 nan 8.250 nan 0.000 0.553 251 P HA -0.065 nan 4.420 nan 0.000 0.257 251 P C -0.102 177.286 177.300 0.146 0.000 1.189 251 P CA -0.001 63.210 63.100 0.184 0.000 0.780 251 P CB 0.634 32.368 31.700 0.057 0.000 0.772 252 V N 2.052 122.087 119.914 0.201 0.000 3.046 252 V HA 0.545 4.663 4.120 -0.003 0.000 0.316 252 V C -0.415 175.835 176.094 0.259 0.000 1.104 252 V CA -1.491 60.935 62.300 0.210 0.000 1.006 252 V CB 1.819 33.733 31.823 0.152 0.000 1.058 252 V HN 0.255 nan 8.190 nan 0.000 0.440 253 F N 2.412 122.448 119.950 0.144 0.000 2.502 253 F HA 0.594 5.119 4.527 -0.003 0.000 0.371 253 F C 0.358 176.150 175.800 -0.014 0.000 1.083 253 F CA 0.577 58.602 58.000 0.041 0.000 1.174 253 F CB 0.142 39.078 39.000 -0.105 0.000 1.096 253 F HN 0.763 nan 8.300 nan 0.000 0.545 254 T N 7.853 122.140 114.554 -0.446 0.000 2.863 254 T HA 0.649 4.997 4.350 -0.003 0.000 0.285 254 T C -1.029 173.468 174.700 -0.339 0.000 1.009 254 T CA -0.311 61.577 62.100 -0.353 0.000 0.989 254 T CB 1.218 69.950 68.868 -0.227 0.000 1.004 254 T HN 0.421 nan 8.240 nan 0.000 0.455 255 F N -0.756 118.927 119.950 -0.445 0.000 2.643 255 F HA 0.940 5.465 4.527 -0.003 0.000 0.314 255 F C -0.098 175.652 175.800 -0.083 0.000 1.096 255 F CA -1.416 56.409 58.000 -0.292 0.000 0.953 255 F CB 1.025 39.813 39.000 -0.353 0.000 1.345 255 F HN 0.784 nan 8.300 nan 0.000 0.468 256 G N -0.455 108.472 108.800 0.212 0.000 2.730 256 G HA2 0.524 4.483 3.960 -0.003 0.000 0.289 256 G HA3 0.524 4.483 3.960 -0.003 0.000 0.289 256 G C -2.093 172.972 174.900 0.275 0.000 1.341 256 G CA -0.906 44.299 45.100 0.174 0.000 0.932 256 G HN 0.937 nan 8.290 nan 0.000 0.481 257 E N 0.420 120.769 120.200 0.247 0.000 2.063 257 E HA 0.208 4.556 4.350 -0.003 0.000 0.265 257 E C -1.356 175.395 176.600 0.252 0.000 0.919 257 E CA -0.881 55.727 56.400 0.347 0.000 0.756 257 E CB 0.877 30.790 29.700 0.355 0.000 1.120 257 E HN 0.443 nan 8.360 nan 0.000 0.414 258 W N 7.916 129.255 121.300 0.066 0.000 2.338 258 W HA 0.271 4.930 4.660 -0.003 0.000 0.315 258 W C -1.668 174.749 176.519 -0.171 0.000 1.005 258 W CA -1.516 55.777 57.345 -0.086 0.000 1.380 258 W CB 0.373 29.749 29.460 -0.140 0.000 1.235 258 W HN 0.464 nan 8.180 nan 0.000 0.409 259 F N 6.604 126.379 119.950 -0.292 0.000 2.529 259 F HA 0.375 4.901 4.527 -0.003 0.000 0.365 259 F C -0.690 174.955 175.800 -0.258 0.000 1.102 259 F CA 0.618 58.217 58.000 -0.669 0.000 1.271 259 F CB 0.563 39.248 39.000 -0.524 0.000 1.120 259 F HN 0.191 nan 8.300 nan 0.000 0.579 260 L N 4.871 125.379 121.223 -1.192 0.000 2.434 260 L HA 0.422 4.760 4.340 -0.003 0.000 0.260 260 L C 0.327 176.650 176.870 -0.913 0.000 0.983 260 L CA -0.770 53.728 54.840 -0.570 0.000 0.820 260 L CB 2.267 44.270 42.059 -0.094 0.000 1.361 260 L HN 0.751 nan 8.230 nan 0.000 0.410 261 G N 0.501 109.053 108.800 -0.413 0.000 4.044 261 G HA2 0.464 4.422 3.960 -0.003 0.000 0.297 261 G HA3 0.464 4.422 3.960 -0.003 0.000 0.297 261 G C -0.217 174.672 174.900 -0.019 0.000 1.101 261 G CA 0.189 45.172 45.100 -0.195 0.000 0.884 261 G HN 0.567 nan 8.290 nan 0.000 0.538 262 S N -2.464 113.227 115.700 -0.015 0.000 2.627 262 S HA 0.575 5.043 4.470 -0.003 0.000 0.268 262 S C 0.596 175.216 174.600 0.033 0.000 1.130 262 S CA 0.056 58.269 58.200 0.020 0.000 0.819 262 S CB 1.129 64.341 63.200 0.021 0.000 1.100 262 S HN 0.667 nan 8.310 nan 0.000 0.465 263 A N 0.144 122.979 122.820 0.026 0.000 2.167 263 A HA 0.640 4.958 4.320 -0.003 0.000 0.214 263 A C 1.263 178.863 177.584 0.027 0.000 1.151 263 A CA 0.724 52.781 52.037 0.033 0.000 0.735 263 A CB -1.159 17.846 19.000 0.008 0.000 0.802 263 A HN 1.671 nan 8.150 nan 0.000 0.467 264 A N 0.534 123.365 122.820 0.018 0.000 2.498 264 A HA 0.453 4.771 4.320 -0.003 0.000 0.239 264 A C 0.741 178.331 177.584 0.008 0.000 1.068 264 A CA -0.011 52.032 52.037 0.010 0.000 0.766 264 A CB -0.079 18.929 19.000 0.014 0.000 1.003 264 A HN 0.391 nan 8.150 nan 0.000 0.497 265 S N 1.103 116.794 115.700 -0.016 0.000 2.572 265 S HA 0.256 4.725 4.470 -0.003 0.000 0.279 265 S C -0.048 174.545 174.600 -0.012 0.000 1.341 265 S CA -0.131 58.044 58.200 -0.041 0.000 1.043 265 S CB 0.452 63.610 63.200 -0.070 0.000 0.887 265 S HN 0.755 nan 8.310 nan 0.000 0.516 266 D N 0.328 120.715 120.400 -0.021 0.000 2.575 266 D HA 0.400 5.038 4.640 -0.003 0.000 0.250 266 D C 0.666 176.949 176.300 -0.029 0.000 1.279 266 D CA -0.543 53.463 54.000 0.011 0.000 0.925 266 D CB 1.502 42.335 40.800 0.054 0.000 1.261 266 D HN 0.447 nan 8.370 nan 0.000 0.567 267 A N 4.277 127.097 122.820 0.001 0.000 1.884 267 A HA -0.261 4.057 4.320 -0.003 0.000 0.219 267 A C 1.573 179.140 177.584 -0.028 0.000 1.197 267 A CA 1.860 53.895 52.037 -0.005 0.000 0.637 267 A CB -0.337 18.683 19.000 0.033 0.000 0.827 267 A HN 0.669 nan 8.150 nan 0.000 0.450 268 D N -0.276 120.131 120.400 0.012 0.000 2.149 268 D HA -0.205 4.433 4.640 -0.003 0.000 0.194 268 D C 1.858 177.847 176.300 -0.519 0.000 1.001 268 D CA 1.552 55.543 54.000 -0.015 0.000 0.849 268 D CB -0.485 40.508 40.800 0.322 0.000 0.939 268 D HN 0.713 nan 8.370 nan 0.000 0.449 269 N N 0.419 118.686 118.700 -0.722 0.000 2.216 269 N HA -0.116 4.622 4.740 -0.003 0.000 0.183 269 N C 1.412 176.744 175.510 -0.297 0.000 1.017 269 N CA 1.396 53.796 53.050 -1.083 0.000 0.861 269 N CB -0.045 37.936 38.487 -0.844 0.000 0.986 269 N HN 0.060 nan 8.380 nan 0.000 0.428 270 T N 1.355 115.856 114.554 -0.088 0.000 2.668 270 T HA -0.095 4.254 4.350 -0.003 0.000 0.262 270 T C 1.257 176.005 174.700 0.080 0.000 1.045 270 T CA 1.249 63.404 62.100 0.091 0.000 1.152 270 T CB -0.456 68.379 68.868 -0.055 0.000 0.864 270 T HN 0.216 nan 8.240 nan 0.000 0.419 271 D N 0.488 120.893 120.400 0.008 0.000 2.126 271 D HA -0.111 4.528 4.640 -0.003 0.000 0.190 271 D C 1.752 178.075 176.300 0.038 0.000 1.001 271 D CA 1.036 55.053 54.000 0.027 0.000 0.841 271 D CB -0.520 40.309 40.800 0.048 0.000 0.949 271 D HN 0.290 nan 8.370 nan 0.000 0.446 272 F N 1.574 121.451 119.950 -0.122 0.000 2.025 272 F HA -0.285 4.241 4.527 -0.003 0.000 0.297 272 F C 2.338 178.128 175.800 -0.016 0.000 1.132 272 F CA 2.265 60.228 58.000 -0.062 0.000 1.191 272 F CB -0.548 38.359 39.000 -0.155 0.000 0.963 272 F HN -0.029 nan 8.300 nan 0.000 0.481 273 A N 0.356 123.276 122.820 0.167 0.000 1.927 273 A HA -0.294 4.025 4.320 -0.003 0.000 0.220 273 A C 2.010 179.579 177.584 -0.025 0.000 1.185 273 A CA 2.270 54.348 52.037 0.069 0.000 0.639 273 A CB -1.010 18.008 19.000 0.030 0.000 0.820 273 A HN 0.614 nan 8.150 nan 0.000 0.451 274 N N -0.695 118.008 118.700 0.006 0.000 2.354 274 N HA -0.031 4.707 4.740 -0.003 0.000 0.179 274 N C 1.261 176.731 175.510 -0.066 0.000 1.021 274 N CA 1.299 54.345 53.050 -0.007 0.000 0.887 274 N CB -0.087 38.418 38.487 0.031 0.000 0.974 274 N HN 0.631 nan 8.380 nan 0.000 0.437 275 K N -0.227 120.101 120.400 -0.120 0.000 2.373 275 K HA 0.170 4.488 4.320 -0.003 0.000 0.200 275 K C 1.585 178.061 176.600 -0.207 0.000 1.054 275 K CA 0.064 56.274 56.287 -0.129 0.000 1.065 275 K CB 0.581 33.034 32.500 -0.078 0.000 0.886 275 K HN 0.043 nan 8.250 nan 0.000 0.546 276 S N 0.022 115.492 115.700 -0.384 0.000 2.496 276 S HA 0.079 4.548 4.470 -0.003 0.000 0.224 276 S C 1.604 176.050 174.600 -0.256 0.000 0.996 276 S CA 0.533 58.443 58.200 -0.483 0.000 0.927 276 S CB 0.016 62.498 63.200 -1.197 0.000 0.774 276 S HN 0.381 nan 8.310 nan 0.000 0.524 277 G N 1.420 110.123 108.800 -0.161 0.000 2.159 277 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.256 277 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.256 277 G C -0.108 174.815 174.900 0.038 0.000 0.977 277 G CA 0.584 45.672 45.100 -0.021 0.000 0.652 277 G HN 0.998 nan 8.290 nan 0.000 0.531 278 M N -0.736 118.832 119.600 -0.053 0.000 2.667 278 M HA 0.831 5.309 4.480 -0.003 0.000 0.286 278 M C 0.247 176.547 176.300 -0.001 0.000 1.270 278 M CA -0.249 55.045 55.300 -0.010 0.000 0.826 278 M CB 1.841 34.453 32.600 0.020 0.000 1.743 278 M HN 0.674 nan 8.290 nan 0.000 0.460 279 S N 0.675 116.373 115.700 -0.003 0.000 2.718 279 S HA 0.877 5.345 4.470 -0.003 0.000 0.292 279 S C -0.679 173.998 174.600 0.129 0.000 1.125 279 S CA -0.633 57.574 58.200 0.013 0.000 1.013 279 S CB 1.260 64.428 63.200 -0.052 0.000 1.192 279 S HN 0.647 nan 8.310 nan 0.000 0.535 280 L N -0.492 120.771 121.223 0.068 0.000 2.257 280 L HA 0.577 4.916 4.340 -0.003 0.000 0.257 280 L C -0.959 176.021 176.870 0.183 0.000 1.033 280 L CA -0.855 54.089 54.840 0.173 0.000 0.835 280 L CB 1.464 43.592 42.059 0.115 0.000 1.398 280 L HN 0.749 nan 8.230 nan 0.000 0.429 281 L N 1.684 123.122 121.223 0.359 0.000 2.261 281 L HA 0.237 4.576 4.340 -0.003 0.000 0.289 281 L C -0.225 176.873 176.870 0.380 0.000 1.059 281 L CA -0.565 54.517 54.840 0.404 0.000 0.816 281 L CB 0.695 43.069 42.059 0.525 0.000 1.191 281 L HN 0.481 nan 8.230 nan 0.000 0.431 282 D N 3.126 123.623 120.400 0.162 0.000 2.483 282 D HA -0.087 4.551 4.640 -0.003 0.000 0.261 282 D C 0.872 177.165 176.300 -0.012 0.000 1.318 282 D CA 0.455 54.502 54.000 0.077 0.000 1.201 282 D CB 0.157 40.925 40.800 -0.054 0.000 1.127 282 D HN 0.298 nan 8.370 nan 0.000 0.519 283 F N 1.550 121.574 119.950 0.123 0.000 2.325 283 F HA -0.028 4.498 4.527 -0.003 0.000 0.299 283 F C 2.342 178.147 175.800 0.008 0.000 1.090 283 F CA 0.574 58.609 58.000 0.058 0.000 1.392 283 F CB 0.200 39.227 39.000 0.045 0.000 1.053 283 F HN 0.233 nan 8.300 nan 0.000 0.521 284 R N -0.912 119.723 120.500 0.225 0.000 2.073 284 R HA -0.143 4.195 4.340 -0.003 0.000 0.229 284 R C 2.167 178.550 176.300 0.138 0.000 1.120 284 R CA 1.457 57.651 56.100 0.157 0.000 0.967 284 R CB -1.068 29.331 30.300 0.165 0.000 0.862 284 R HN 0.292 nan 8.270 nan 0.000 0.436 285 F N 3.090 123.036 119.950 -0.007 0.000 2.134 285 F HA -0.185 4.340 4.527 -0.003 0.000 0.299 285 F C 2.172 177.923 175.800 -0.082 0.000 1.097 285 F CA 1.422 59.408 58.000 -0.023 0.000 1.264 285 F CB -0.467 38.506 39.000 -0.045 0.000 1.001 285 F HN 0.010 nan 8.300 nan 0.000 0.479 286 N N -0.124 118.610 118.700 0.057 0.000 2.058 286 N HA -0.206 4.532 4.740 -0.003 0.000 0.191 286 N C 1.859 177.362 175.510 -0.010 0.000 1.037 286 N CA 1.887 54.855 53.050 -0.138 0.000 0.848 286 N CB -0.252 37.842 38.487 -0.656 0.000 1.021 286 N HN 0.353 nan 8.380 nan 0.000 0.422 287 S N 1.082 116.791 115.700 0.016 0.000 2.353 287 S HA -0.115 4.354 4.470 -0.003 0.000 0.222 287 S C 2.254 176.854 174.600 -0.001 0.000 1.035 287 S CA 1.275 59.499 58.200 0.040 0.000 1.025 287 S CB -0.646 62.582 63.200 0.046 0.000 0.902 287 S HN 0.617 nan 8.310 nan 0.000 0.440 288 A N 1.635 124.427 122.820 -0.048 0.000 1.869 288 A HA -0.144 4.175 4.320 -0.003 0.000 0.218 288 A C 2.391 179.900 177.584 -0.124 0.000 1.203 288 A CA 2.073 54.042 52.037 -0.114 0.000 0.638 288 A CB -1.354 17.547 19.000 -0.164 0.000 0.831 288 A HN 0.322 nan 8.150 nan 0.000 0.450 289 V N -0.042 119.800 119.914 -0.120 0.000 2.250 289 V HA -0.378 3.741 4.120 -0.003 0.000 0.250 289 V C 2.717 178.979 176.094 0.281 0.000 1.060 289 V CA 2.679 65.031 62.300 0.087 0.000 1.030 289 V CB -0.854 31.031 31.823 0.103 0.000 0.643 289 V HN 0.583 nan 8.190 nan 0.000 0.445 290 R N -0.133 120.502 120.500 0.224 0.000 2.092 290 R HA -0.101 4.238 4.340 -0.003 0.000 0.231 290 R C 2.226 178.545 176.300 0.032 0.000 1.119 290 R CA 1.436 57.643 56.100 0.179 0.000 0.970 290 R CB -0.426 29.946 30.300 0.121 0.000 0.864 290 R HN 0.617 nan 8.270 nan 0.000 0.440 291 N N 0.376 119.069 118.700 -0.012 0.000 2.058 291 N HA -0.140 4.598 4.740 -0.003 0.000 0.191 291 N C 1.971 177.419 175.510 -0.102 0.000 1.037 291 N CA 1.374 54.389 53.050 -0.057 0.000 0.848 291 N CB -0.395 38.051 38.487 -0.068 0.000 1.021 291 N HN -0.004 nan 8.380 nan 0.000 0.422 292 V N 1.243 121.046 119.914 -0.186 0.000 2.219 292 V HA -0.235 3.884 4.120 -0.003 0.000 0.248 292 V C 2.053 177.934 176.094 -0.355 0.000 1.053 292 V CA 1.818 63.889 62.300 -0.382 0.000 1.009 292 V CB -0.700 30.695 31.823 -0.713 0.000 0.636 292 V HN 0.117 nan 8.190 nan 0.000 0.445 293 F N -0.916 119.035 119.950 0.002 0.000 2.270 293 F HA 0.100 4.625 4.527 -0.003 0.000 0.295 293 F C 2.529 178.375 175.800 0.077 0.000 1.087 293 F CA 1.223 59.282 58.000 0.097 0.000 1.365 293 F CB -0.357 38.791 39.000 0.246 0.000 1.056 293 F HN -0.095 nan 8.300 nan 0.000 0.506 294 R N 0.272 120.839 120.500 0.111 0.000 2.087 294 R HA -0.024 4.315 4.340 -0.003 0.000 0.216 294 R C 1.135 177.345 176.300 -0.150 0.000 1.114 294 R CA 1.297 57.243 56.100 -0.256 0.000 1.002 294 R CB -0.153 29.598 30.300 -0.915 0.000 0.903 294 R HN 0.144 nan 8.270 nan 0.000 0.445 295 D N 0.320 120.656 120.400 -0.107 0.000 2.327 295 D HA 0.018 4.656 4.640 -0.003 0.000 0.205 295 D C -0.131 176.139 176.300 -0.050 0.000 0.989 295 D CA 0.211 54.166 54.000 -0.075 0.000 0.873 295 D CB 0.124 40.886 40.800 -0.063 0.000 0.955 295 D HN 0.177 nan 8.370 nan 0.000 0.515 296 N N 0.547 119.214 118.700 -0.054 0.000 2.783 296 N HA -0.135 4.603 4.740 -0.003 0.000 0.247 296 N C 0.659 176.140 175.510 -0.049 0.000 1.089 296 N CA 1.166 54.185 53.050 -0.051 0.000 0.690 296 N CB -1.883 36.586 38.487 -0.030 0.000 0.991 296 N HN 0.372 nan 8.380 nan 0.000 0.552 297 T N -5.269 109.251 114.554 -0.056 0.000 3.023 297 T HA 0.360 4.708 4.350 -0.003 0.000 0.253 297 T C 0.617 175.285 174.700 -0.053 0.000 1.038 297 T CA 0.239 62.312 62.100 -0.045 0.000 0.962 297 T CB 0.774 69.622 68.868 -0.033 0.000 1.018 297 T HN 0.117 nan 8.240 nan 0.000 0.521 298 S N 1.607 117.261 115.700 -0.077 0.000 2.651 298 S HA 0.681 5.149 4.470 -0.003 0.000 0.279 298 S C -1.149 173.383 174.600 -0.115 0.000 1.148 298 S CA -0.994 57.155 58.200 -0.085 0.000 0.837 298 S CB 1.954 65.096 63.200 -0.096 0.000 1.138 298 S HN 0.691 nan 8.310 nan 0.000 0.478 299 N N -0.447 118.199 118.700 -0.090 0.000 2.815 299 N HA 0.423 5.161 4.740 -0.003 0.000 0.315 299 N C 0.769 176.181 175.510 -0.163 0.000 1.320 299 N CA -0.819 52.177 53.050 -0.091 0.000 0.846 299 N CB -0.142 38.366 38.487 0.035 0.000 1.344 299 N HN 0.333 nan 8.380 nan 0.000 0.593 300 M N -0.809 118.666 119.600 -0.208 0.000 2.195 300 M HA -0.100 4.378 4.480 -0.003 0.000 0.260 300 M C 1.255 177.269 176.300 -0.476 0.000 1.066 300 M CA 1.555 56.594 55.300 -0.435 0.000 1.089 300 M CB -1.539 30.825 32.600 -0.392 0.000 1.377 300 M HN 0.547 nan 8.290 nan 0.000 0.411 301 Y N 0.576 120.755 120.300 -0.201 0.000 2.181 301 Y HA -0.119 4.429 4.550 -0.003 0.000 0.288 301 Y C 2.655 178.455 175.900 -0.166 0.000 1.146 301 Y CA 1.554 59.569 58.100 -0.142 0.000 1.164 301 Y CB -1.180 37.230 38.460 -0.083 0.000 0.982 301 Y HN 0.304 nan 8.280 nan 0.000 0.515 302 A N -0.447 122.360 122.820 -0.022 0.000 2.024 302 A HA -0.174 4.144 4.320 -0.003 0.000 0.220 302 A C 2.169 179.659 177.584 -0.156 0.000 1.164 302 A CA 1.616 53.607 52.037 -0.076 0.000 0.643 302 A CB -0.903 18.044 19.000 -0.089 0.000 0.806 302 A HN 0.438 nan 8.150 nan 0.000 0.451 303 L N -0.306 120.741 121.223 -0.293 0.000 2.068 303 L HA -0.045 4.293 4.340 -0.003 0.000 0.204 303 L C 2.011 178.716 176.870 -0.276 0.000 1.076 303 L CA 2.366 56.982 54.840 -0.374 0.000 0.753 303 L CB -0.433 41.228 42.059 -0.664 0.000 0.910 303 L HN 0.449 nan 8.230 nan 0.000 0.439 304 D N -1.612 118.592 120.400 -0.327 0.000 2.117 304 D HA -0.223 4.416 4.640 -0.003 0.000 0.197 304 D C 2.351 178.658 176.300 0.011 0.000 0.987 304 D CA 1.404 55.356 54.000 -0.080 0.000 0.829 304 D CB -0.005 40.787 40.800 -0.013 0.000 0.961 304 D HN 0.363 nan 8.370 nan 0.000 0.460 305 S N -0.617 115.076 115.700 -0.010 0.000 2.348 305 S HA -0.216 4.252 4.470 -0.003 0.000 0.221 305 S C 2.061 176.669 174.600 0.014 0.000 1.033 305 S CA 1.745 59.954 58.200 0.016 0.000 1.010 305 S CB -0.552 62.655 63.200 0.012 0.000 0.891 305 S HN 0.351 nan 8.310 nan 0.000 0.442 306 M N 1.116 120.712 119.600 -0.006 0.000 2.144 306 M HA -0.111 4.367 4.480 -0.003 0.000 0.260 306 M C 1.779 178.117 176.300 0.063 0.000 1.067 306 M CA 1.668 56.977 55.300 0.016 0.000 1.095 306 M CB -1.084 31.509 32.600 -0.013 0.000 1.365 306 M HN 0.384 nan 8.290 nan 0.000 0.406 307 I N 1.093 121.707 120.570 0.073 0.000 2.208 307 I HA -0.310 3.858 4.170 -0.003 0.000 0.245 307 I C 2.109 178.287 176.117 0.103 0.000 1.097 307 I CA 1.405 62.778 61.300 0.122 0.000 1.363 307 I CB -1.859 36.225 38.000 0.140 0.000 1.051 307 I HN 0.381 nan 8.210 nan 0.000 0.413 308 N N -0.103 118.643 118.700 0.076 0.000 2.220 308 N HA -0.093 4.645 4.740 -0.003 0.000 0.182 308 N C 2.049 177.577 175.510 0.030 0.000 1.023 308 N CA 1.281 54.367 53.050 0.060 0.000 0.856 308 N CB -0.302 38.219 38.487 0.058 0.000 0.997 308 N HN 0.192 nan 8.380 nan 0.000 0.429 309 S N 0.593 116.303 115.700 0.015 0.000 2.374 309 S HA -0.162 4.306 4.470 -0.003 0.000 0.227 309 S C 2.093 176.657 174.600 -0.060 0.000 1.037 309 S CA 2.369 60.557 58.200 -0.021 0.000 1.024 309 S CB -0.575 62.611 63.200 -0.022 0.000 0.861 309 S HN 0.621 nan 8.310 nan 0.000 0.456 310 T N -0.473 114.066 114.554 -0.025 0.000 2.821 310 T HA 0.153 4.501 4.350 -0.003 0.000 0.267 310 T C 1.912 176.601 174.700 -0.018 0.000 1.046 310 T CA 1.256 63.320 62.100 -0.060 0.000 1.139 310 T CB -0.826 68.122 68.868 0.133 0.000 0.871 310 T HN 0.423 nan 8.240 nan 0.000 0.454 311 A N 1.486 124.335 122.820 0.049 0.000 2.070 311 A HA 0.011 4.329 4.320 -0.003 0.000 0.220 311 A C 2.521 180.117 177.584 0.021 0.000 1.159 311 A CA 1.863 53.940 52.037 0.067 0.000 0.656 311 A CB -1.186 17.858 19.000 0.072 0.000 0.800 311 A HN 0.622 nan 8.150 nan 0.000 0.453 312 T N -0.072 114.469 114.554 -0.022 0.000 2.937 312 T HA -0.053 4.296 4.350 -0.003 0.000 0.260 312 T C 1.301 175.958 174.700 -0.072 0.000 1.051 312 T CA 1.253 63.332 62.100 -0.036 0.000 1.141 312 T CB -0.269 68.577 68.868 -0.038 0.000 0.879 312 T HN 0.454 nan 8.240 nan 0.000 0.459 313 D N 0.257 120.557 120.400 -0.166 0.000 2.091 313 D HA 0.018 4.657 4.640 -0.003 0.000 0.199 313 D C 0.091 176.287 176.300 -0.172 0.000 0.980 313 D CA 0.870 54.718 54.000 -0.253 0.000 0.831 313 D CB -0.361 40.139 40.800 -0.501 0.000 0.987 313 D HN 0.333 nan 8.370 nan 0.000 0.460 314 Y N 1.509 121.814 120.300 0.009 0.000 2.319 314 Y HA 0.160 4.708 4.550 -0.003 0.000 0.328 314 Y C 1.489 177.390 175.900 0.002 0.000 1.133 314 Y CA -0.786 57.320 58.100 0.010 0.000 1.265 314 Y CB 0.390 38.866 38.460 0.027 0.000 1.218 314 Y HN -0.205 nan 8.280 nan 0.000 0.508 315 N N 1.308 120.112 118.700 0.173 0.000 2.135 315 N HA -0.107 4.631 4.740 -0.003 0.000 0.186 315 N C 0.050 175.587 175.510 0.045 0.000 1.027 315 N CA 1.168 54.259 53.050 0.068 0.000 0.849 315 N CB -0.012 38.499 38.487 0.039 0.000 1.002 315 N HN 0.594 nan 8.380 nan 0.000 0.425 316 Q N 0.054 119.904 119.800 0.082 0.000 2.849 316 Q HA 0.246 4.584 4.340 -0.003 0.000 0.289 316 Q C 0.556 176.626 176.000 0.117 0.000 1.012 316 Q CA -0.137 55.717 55.803 0.086 0.000 0.899 316 Q CB 1.390 30.209 28.738 0.134 0.000 1.235 316 Q HN -0.069 nan 8.270 nan 0.000 0.457 317 V N 2.149 122.144 119.914 0.135 0.000 2.546 317 V HA -0.348 3.771 4.120 -0.003 0.000 0.254 317 V C 0.920 177.068 176.094 0.090 0.000 1.076 317 V CA 2.305 64.695 62.300 0.149 0.000 1.087 317 V CB -0.088 31.840 31.823 0.176 0.000 0.674 317 V HN 0.765 nan 8.190 nan 0.000 0.470 318 N N -0.268 118.502 118.700 0.118 0.000 2.550 318 N HA -0.091 4.648 4.740 -0.003 0.000 0.186 318 N C 0.843 176.421 175.510 0.112 0.000 1.110 318 N CA 1.006 54.124 53.050 0.114 0.000 0.912 318 N CB 0.022 38.628 38.487 0.199 0.000 0.968 318 N HN 0.527 nan 8.380 nan 0.000 0.448 319 D N -0.121 120.369 120.400 0.148 0.000 2.379 319 D HA 0.017 4.655 4.640 -0.003 0.000 0.208 319 D C 0.058 176.413 176.300 0.092 0.000 1.065 319 D CA 0.382 54.518 54.000 0.226 0.000 0.848 319 D CB 0.242 41.225 40.800 0.305 0.000 0.949 319 D HN 0.129 nan 8.370 nan 0.000 0.509 320 Q N 1.001 120.780 119.800 -0.034 0.000 2.313 320 Q HA 0.193 4.531 4.340 -0.003 0.000 0.266 320 Q C 0.021 175.934 176.000 -0.145 0.000 0.989 320 Q CA -0.159 55.571 55.803 -0.121 0.000 0.890 320 Q CB 1.625 30.253 28.738 -0.183 0.000 1.200 320 Q HN -0.074 nan 8.270 nan 0.000 0.396 321 V N 3.438 123.256 119.914 -0.160 0.000 2.461 321 V HA 0.269 4.387 4.120 -0.003 0.000 0.275 321 V C 0.713 176.790 176.094 -0.028 0.000 1.047 321 V CA -0.408 61.780 62.300 -0.187 0.000 0.955 321 V CB 0.839 32.388 31.823 -0.456 0.000 0.988 321 V HN 0.895 nan 8.190 nan 0.000 0.471 322 T N 2.499 116.967 114.554 -0.145 0.000 2.944 322 T HA 0.907 5.256 4.350 -0.003 0.000 0.284 322 T C -0.684 174.089 174.700 0.123 0.000 1.010 322 T CA -0.546 61.375 62.100 -0.298 0.000 1.025 322 T CB 1.800 70.127 68.868 -0.902 0.000 1.079 322 T HN 0.708 nan 8.240 nan 0.000 0.516 323 F N -1.198 118.762 119.950 0.016 0.000 2.842 323 F HA 0.508 5.033 4.527 -0.003 0.000 0.319 323 F C 0.282 176.193 175.800 0.184 0.000 1.159 323 F CA -1.301 56.756 58.000 0.094 0.000 0.902 323 F CB 0.530 39.572 39.000 0.069 0.000 1.311 323 F HN 0.619 nan 8.300 nan 0.000 0.453 324 I N -1.511 119.257 120.570 0.329 0.000 3.172 324 I HA 0.386 4.554 4.170 -0.003 0.000 0.278 324 I C -0.521 175.863 176.117 0.445 0.000 1.174 324 I CA 0.511 61.960 61.300 0.249 0.000 1.445 324 I CB 0.409 38.322 38.000 -0.146 0.000 1.175 324 I HN 0.679 nan 8.210 nan 0.000 0.447 325 D N 0.924 121.588 120.400 0.440 0.000 2.652 325 D HA 0.512 5.150 4.640 -0.003 0.000 0.285 325 D C -0.884 175.536 176.300 0.200 0.000 1.173 325 D CA -0.653 53.586 54.000 0.399 0.000 0.981 325 D CB 0.981 42.010 40.800 0.382 0.000 1.440 325 D HN 0.417 nan 8.370 nan 0.000 0.485 326 N N -2.604 116.074 118.700 -0.037 0.000 3.373 326 N HA 0.057 4.795 4.740 -0.003 0.000 0.275 326 N C 0.450 175.604 175.510 -0.593 0.000 1.489 326 N CA -0.554 52.127 53.050 -0.615 0.000 0.872 326 N CB -0.139 37.980 38.487 -0.613 0.000 1.555 326 N HN 0.607 nan 8.380 nan 0.000 0.500 327 H N -1.496 117.118 119.070 -0.760 0.000 2.560 327 H HA 0.059 4.614 4.556 -0.003 0.000 0.283 327 H C -0.704 174.632 175.328 0.015 0.000 1.028 327 H CA 1.158 57.076 56.048 -0.217 0.000 1.221 327 H CB -0.258 29.541 29.762 0.061 0.000 1.363 327 H HN 0.498 nan 8.280 nan 0.000 0.594 328 D N 0.813 120.929 120.400 -0.472 0.000 2.340 328 D HA 0.161 4.799 4.640 -0.003 0.000 0.217 328 D C 1.059 177.394 176.300 0.059 0.000 1.081 328 D CA 0.247 54.145 54.000 -0.170 0.000 0.842 328 D CB 0.402 41.225 40.800 0.038 0.000 0.934 328 D HN 0.628 nan 8.370 nan 0.000 0.511 329 M N -2.237 117.404 119.600 0.070 0.000 2.949 329 M HA 0.370 4.848 4.480 -0.003 0.000 0.270 329 M C -1.716 174.662 176.300 0.130 0.000 1.221 329 M CA -0.962 54.420 55.300 0.137 0.000 0.818 329 M CB 1.569 34.304 32.600 0.225 0.000 1.635 329 M HN -0.455 nan 8.290 nan 0.000 0.492 330 D N 2.404 122.878 120.400 0.124 0.000 2.443 330 D HA 0.215 4.853 4.640 -0.003 0.000 0.239 330 D C -0.178 176.211 176.300 0.148 0.000 1.136 330 D CA 0.159 54.224 54.000 0.108 0.000 0.879 330 D CB 0.626 41.470 40.800 0.074 0.000 1.195 330 D HN 0.311 nan 8.370 nan 0.000 0.443 331 R N 1.684 122.271 120.500 0.145 0.000 2.640 331 R HA -0.037 4.301 4.340 -0.003 0.000 0.270 331 R C 1.132 177.560 176.300 0.214 0.000 1.024 331 R CA -0.068 56.146 56.100 0.190 0.000 1.085 331 R CB -0.151 30.225 30.300 0.127 0.000 0.963 331 R HN 0.515 nan 8.270 nan 0.000 0.426 332 F N 2.238 122.263 119.950 0.125 0.000 2.046 332 F HA -0.201 4.324 4.527 -0.003 0.000 0.297 332 F C 1.130 176.996 175.800 0.110 0.000 1.123 332 F CA 1.608 59.682 58.000 0.123 0.000 1.199 332 F CB -0.104 38.976 39.000 0.132 0.000 0.972 332 F HN 0.290 nan 8.300 nan 0.000 0.474 333 K N 1.196 121.843 120.400 0.412 0.000 2.448 333 K HA 0.204 4.522 4.320 -0.003 0.000 0.278 333 K C -0.754 175.932 176.600 0.144 0.000 1.009 333 K CA 0.438 56.897 56.287 0.286 0.000 0.995 333 K CB 0.507 33.184 32.500 0.295 0.000 0.917 333 K HN 0.254 nan 8.250 nan 0.000 0.481 334 T N 1.400 116.012 114.554 0.097 0.000 2.762 334 T HA 0.184 4.532 4.350 -0.003 0.000 0.301 334 T C 0.686 175.412 174.700 0.043 0.000 1.299 334 T CA -0.084 62.047 62.100 0.052 0.000 1.005 334 T CB 1.053 69.932 68.868 0.019 0.000 1.377 334 T HN 0.602 nan 8.240 nan 0.000 0.504 335 S N 0.581 116.298 115.700 0.027 0.000 2.399 335 S HA -0.070 4.398 4.470 -0.003 0.000 0.231 335 S C 2.124 176.735 174.600 0.018 0.000 1.022 335 S CA 1.189 59.400 58.200 0.019 0.000 0.983 335 S CB -0.547 62.660 63.200 0.012 0.000 0.803 335 S HN 0.774 nan 8.310 nan 0.000 0.480 336 A N 1.090 123.919 122.820 0.014 0.000 2.016 336 A HA 0.407 4.725 4.320 -0.003 0.000 0.217 336 A C 1.021 178.616 177.584 0.019 0.000 1.162 336 A CA 0.344 52.388 52.037 0.011 0.000 0.662 336 A CB -0.375 18.626 19.000 0.002 0.000 0.812 336 A HN 0.396 nan 8.150 nan 0.000 0.450 337 V N 3.083 123.012 119.914 0.025 0.000 2.461 337 V HA 0.138 4.256 4.120 -0.003 0.000 0.275 337 V C -0.130 176.018 176.094 0.089 0.000 1.047 337 V CA -0.743 61.587 62.300 0.050 0.000 0.955 337 V CB 0.784 32.624 31.823 0.030 0.000 0.988 337 V HN 0.671 nan 8.190 nan 0.000 0.471 338 N N 3.603 122.366 118.700 0.105 0.000 2.472 338 N HA 0.262 5.000 4.740 -0.003 0.000 0.289 338 N C 0.236 175.832 175.510 0.144 0.000 1.156 338 N CA -0.819 52.288 53.050 0.095 0.000 0.940 338 N CB 1.149 39.674 38.487 0.063 0.000 1.200 338 N HN 0.415 nan 8.380 nan 0.000 0.511 339 N N 1.206 119.961 118.700 0.092 0.000 2.037 339 N HA -0.257 4.481 4.740 -0.003 0.000 0.196 339 N C 1.599 177.220 175.510 0.185 0.000 1.034 339 N CA 1.504 54.636 53.050 0.135 0.000 0.861 339 N CB -0.435 38.009 38.487 -0.072 0.000 1.039 339 N HN 0.570 nan 8.380 nan 0.000 0.427 340 R N 1.327 121.902 120.500 0.125 0.000 2.117 340 R HA -0.000 4.338 4.340 -0.003 0.000 0.243 340 R C 1.734 178.109 176.300 0.126 0.000 1.143 340 R CA 1.312 57.483 56.100 0.117 0.000 0.968 340 R CB -0.244 30.114 30.300 0.096 0.000 0.863 340 R HN 0.175 nan 8.270 nan 0.000 0.444 341 R N 0.085 120.692 120.500 0.178 0.000 2.075 341 R HA -0.074 4.265 4.340 -0.003 0.000 0.232 341 R C 2.010 178.416 176.300 0.176 0.000 1.126 341 R CA 1.013 57.258 56.100 0.241 0.000 0.963 341 R CB -1.098 29.408 30.300 0.344 0.000 0.858 341 R HN 0.283 nan 8.270 nan 0.000 0.435 342 L N 1.907 123.258 121.223 0.213 0.000 2.017 342 L HA -0.140 4.198 4.340 -0.003 0.000 0.208 342 L C 1.491 178.281 176.870 -0.134 0.000 1.073 342 L CA 1.963 56.803 54.840 -0.000 0.000 0.745 342 L CB -0.800 41.396 42.059 0.229 0.000 0.894 342 L HN 0.159 nan 8.230 nan 0.000 0.432 343 E N -0.729 119.478 120.200 0.011 0.000 2.150 343 E HA -0.222 4.126 4.350 -0.003 0.000 0.193 343 E C 2.146 178.693 176.600 -0.087 0.000 0.985 343 E CA 0.981 57.374 56.400 -0.011 0.000 0.814 343 E CB -0.030 29.720 29.700 0.083 0.000 0.752 343 E HN 0.619 nan 8.360 nan 0.000 0.466 344 Q N 0.084 119.801 119.800 -0.139 0.000 2.083 344 Q HA -0.045 4.293 4.340 -0.003 0.000 0.198 344 Q C 2.253 177.936 176.000 -0.528 0.000 0.969 344 Q CA 1.104 56.751 55.803 -0.259 0.000 0.838 344 Q CB -0.056 28.554 28.738 -0.214 0.000 0.900 344 Q HN 0.260 nan 8.270 nan 0.000 0.436 345 A N 0.558 122.963 122.820 -0.692 0.000 1.969 345 A HA -0.132 4.187 4.320 -0.003 0.000 0.218 345 A C 1.983 179.419 177.584 -0.246 0.000 1.169 345 A CA 0.863 52.518 52.037 -0.637 0.000 0.635 345 A CB -0.482 18.116 19.000 -0.669 0.000 0.810 345 A HN 0.270 nan 8.150 nan 0.000 0.445 346 L N -0.843 120.243 121.223 -0.229 0.000 1.988 346 L HA -0.170 4.168 4.340 -0.003 0.000 0.207 346 L C 3.146 179.996 176.870 -0.035 0.000 1.071 346 L CA 1.158 55.931 54.840 -0.111 0.000 0.744 346 L CB -0.561 41.428 42.059 -0.117 0.000 0.893 346 L HN 0.412 nan 8.230 nan 0.000 0.433 347 A N -0.417 122.382 122.820 -0.035 0.000 1.927 347 A HA -0.319 3.999 4.320 -0.003 0.000 0.220 347 A C 2.166 179.810 177.584 0.101 0.000 1.185 347 A CA 2.069 54.113 52.037 0.012 0.000 0.639 347 A CB -0.993 18.011 19.000 0.007 0.000 0.820 347 A HN 0.431 nan 8.150 nan 0.000 0.451 348 F N 1.316 121.258 119.950 -0.013 0.000 2.075 348 F HA -0.135 4.391 4.527 -0.003 0.000 0.297 348 F C 2.588 178.502 175.800 0.191 0.000 1.113 348 F CA 2.231 60.304 58.000 0.121 0.000 1.218 348 F CB -0.864 38.156 39.000 0.033 0.000 0.984 348 F HN 0.236 nan 8.300 nan 0.000 0.472 349 T N 1.607 116.243 114.554 0.137 0.000 2.622 349 T HA -0.214 4.134 4.350 -0.003 0.000 0.266 349 T C 2.211 176.891 174.700 -0.034 0.000 1.047 349 T CA 1.898 64.075 62.100 0.128 0.000 1.159 349 T CB -0.817 68.142 68.868 0.153 0.000 0.863 349 T HN 0.243 nan 8.240 nan 0.000 0.422 350 L N 1.310 122.520 121.223 -0.021 0.000 2.189 350 L HA -0.129 4.209 4.340 -0.003 0.000 0.214 350 L C 2.777 179.608 176.870 -0.066 0.000 1.097 350 L CA 1.622 56.433 54.840 -0.049 0.000 0.764 350 L CB -0.943 41.091 42.059 -0.042 0.000 0.900 350 L HN 0.512 nan 8.230 nan 0.000 0.436 351 T N -6.213 108.311 114.554 -0.050 0.000 3.023 351 T HA 0.159 4.507 4.350 -0.003 0.000 0.253 351 T C 0.953 175.642 174.700 -0.018 0.000 1.038 351 T CA -0.232 61.851 62.100 -0.028 0.000 0.962 351 T CB 0.296 69.173 68.868 0.016 0.000 1.018 351 T HN 0.025 nan 8.240 nan 0.000 0.521 352 S N 2.195 117.820 115.700 -0.125 0.000 2.661 352 S HA 0.493 4.961 4.470 -0.003 0.000 0.265 352 S C 0.545 175.073 174.600 -0.121 0.000 1.225 352 S CA -0.944 57.157 58.200 -0.164 0.000 0.986 352 S CB 0.523 63.534 63.200 -0.315 0.000 1.008 352 S HN 0.650 nan 8.310 nan 0.000 0.565 353 R N 0.549 121.001 120.500 -0.081 0.000 2.582 353 R HA 0.613 4.952 4.340 -0.003 0.000 0.271 353 R C 0.402 176.611 176.300 -0.151 0.000 1.078 353 R CA 0.335 56.395 56.100 -0.067 0.000 1.127 353 R CB -0.905 29.403 30.300 0.013 0.000 1.038 353 R HN 0.914 nan 8.270 nan 0.000 0.500 354 G N 0.030 108.761 108.800 -0.115 0.000 2.483 354 G HA2 -0.138 3.820 3.960 -0.003 0.000 0.521 354 G HA3 -0.138 3.820 3.960 -0.003 0.000 0.521 354 G C -1.512 173.284 174.900 -0.174 0.000 1.278 354 G CA -0.380 44.633 45.100 -0.145 0.000 0.965 354 G HN 0.569 nan 8.290 nan 0.000 0.504 355 V N 3.275 123.078 119.914 -0.185 0.000 2.370 355 V HA 0.586 4.704 4.120 -0.003 0.000 0.279 355 V C -1.597 174.390 176.094 -0.178 0.000 1.029 355 V CA -0.832 61.352 62.300 -0.193 0.000 0.870 355 V CB 1.669 33.344 31.823 -0.247 0.000 0.984 355 V HN 0.694 nan 8.190 nan 0.000 0.451 356 P HA 0.585 nan 4.420 nan 0.000 0.288 356 P C -1.011 176.315 177.300 0.044 0.000 1.267 356 P CA -0.428 62.630 63.100 -0.070 0.000 0.815 356 P CB 2.172 33.825 31.700 -0.079 0.000 0.989 357 A N 3.465 126.373 122.820 0.147 0.000 2.413 357 A HA 0.806 5.125 4.320 -0.003 0.000 0.307 357 A C -0.772 176.963 177.584 0.252 0.000 1.087 357 A CA -0.882 51.307 52.037 0.253 0.000 0.750 357 A CB 1.078 20.318 19.000 0.400 0.000 1.296 357 A HN 0.465 nan 8.150 nan 0.000 0.423 358 I N 1.766 122.486 120.570 0.250 0.000 2.468 358 I HA 0.192 4.360 4.170 -0.003 0.000 0.284 358 I C -1.121 175.091 176.117 0.158 0.000 1.038 358 I CA -0.612 60.818 61.300 0.218 0.000 1.083 358 I CB 1.444 39.593 38.000 0.248 0.000 1.223 358 I HN 0.685 nan 8.210 nan 0.000 0.443 359 Y N 8.148 128.441 120.300 -0.011 0.000 2.632 359 Y HA -0.020 4.528 4.550 -0.003 0.000 0.329 359 Y C 0.150 175.924 175.900 -0.209 0.000 1.174 359 Y CA -0.863 57.174 58.100 -0.106 0.000 1.469 359 Y CB 0.036 38.457 38.460 -0.066 0.000 1.242 359 Y HN 0.469 nan 8.280 nan 0.000 0.540 360 Y N 3.574 123.649 120.300 -0.376 0.000 2.811 360 Y HA 0.331 4.879 4.550 -0.003 0.000 0.334 360 Y C 1.056 176.908 175.900 -0.079 0.000 1.247 360 Y CA -0.330 57.555 58.100 -0.358 0.000 1.526 360 Y CB 0.043 38.342 38.460 -0.269 0.000 1.284 360 Y HN 0.860 nan 8.280 nan 0.000 0.586 361 G N 2.069 110.888 108.800 0.031 0.000 2.213 361 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.226 361 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.226 361 G C 0.793 175.662 174.900 -0.053 0.000 0.992 361 G CA 0.294 45.336 45.100 -0.096 0.000 0.632 361 G HN 0.836 nan 8.290 nan 0.000 0.511 362 T N 1.827 116.371 114.554 -0.017 0.000 2.708 362 T HA -0.080 4.269 4.350 -0.003 0.000 0.266 362 T C 2.240 176.861 174.700 -0.132 0.000 1.037 362 T CA 1.878 63.955 62.100 -0.039 0.000 1.146 362 T CB -0.308 68.563 68.868 0.006 0.000 0.865 362 T HN 0.763 nan 8.240 nan 0.000 0.435 363 E N 1.643 121.837 120.200 -0.011 0.000 2.171 363 E HA -0.228 4.120 4.350 -0.003 0.000 0.197 363 E C 1.530 178.091 176.600 -0.065 0.000 0.997 363 E CA 1.118 57.494 56.400 -0.040 0.000 0.810 363 E CB -0.347 29.456 29.700 0.172 0.000 0.738 363 E HN 0.428 nan 8.360 nan 0.000 0.467 364 Q N -0.231 119.600 119.800 0.051 0.000 2.320 364 Q HA 0.026 4.365 4.340 -0.003 0.000 0.201 364 Q C -0.314 175.801 176.000 0.193 0.000 0.910 364 Q CA -0.178 55.700 55.803 0.125 0.000 0.946 364 Q CB -0.388 28.410 28.738 0.099 0.000 1.062 364 Q HN 0.394 nan 8.270 nan 0.000 0.503 365 Y N -0.705 119.639 120.300 0.073 0.000 3.389 365 Y HA -0.264 4.285 4.550 -0.003 0.000 0.213 365 Y C 0.343 176.261 175.900 0.029 0.000 1.272 365 Y CA -0.128 58.006 58.100 0.058 0.000 1.444 365 Y CB -2.268 36.228 38.460 0.060 0.000 1.445 365 Y HN 0.227 nan 8.280 nan 0.000 0.583 366 L N 1.268 122.542 121.223 0.085 0.000 2.456 366 L HA 0.290 4.628 4.340 -0.003 0.000 0.272 366 L C 0.916 177.807 176.870 0.034 0.000 1.189 366 L CA 0.741 55.589 54.840 0.012 0.000 0.846 366 L CB 0.724 42.718 42.059 -0.109 0.000 1.111 366 L HN 0.428 nan 8.230 nan 0.000 0.475 367 T N 0.292 114.861 114.554 0.024 0.000 2.930 367 T HA 0.840 5.188 4.350 -0.003 0.000 0.290 367 T C -0.239 174.466 174.700 0.008 0.000 1.052 367 T CA -0.260 61.863 62.100 0.040 0.000 1.017 367 T CB 2.002 70.899 68.868 0.049 0.000 1.137 367 T HN 0.922 nan 8.240 nan 0.000 0.511 368 G N 1.371 110.185 108.800 0.023 0.000 2.348 368 G HA2 0.125 4.083 3.960 -0.003 0.000 0.196 368 G HA3 0.125 4.083 3.960 -0.003 0.000 0.196 368 G C -1.039 173.882 174.900 0.034 0.000 2.862 368 G CA -1.028 44.079 45.100 0.012 0.000 0.802 368 G HN 0.824 nan 8.290 nan 0.000 0.500 369 N N 1.252 119.972 118.700 0.034 0.000 2.442 369 N HA 0.503 5.242 4.740 -0.003 0.000 0.265 369 N C 0.853 176.386 175.510 0.039 0.000 1.138 369 N CA 1.323 54.398 53.050 0.042 0.000 0.956 369 N CB 1.454 39.960 38.487 0.033 0.000 1.067 369 N HN 1.460 nan 8.380 nan 0.000 0.474 370 G N 2.139 110.969 108.800 0.049 0.000 2.757 370 G HA2 -0.227 3.732 3.960 -0.003 0.000 0.638 370 G HA3 -0.227 3.732 3.960 -0.003 0.000 0.638 370 G C -0.994 173.934 174.900 0.048 0.000 1.344 370 G CA -0.760 44.367 45.100 0.045 0.000 0.855 370 G HN 0.647 nan 8.290 nan 0.000 0.537 371 D N 0.298 120.729 120.400 0.051 0.000 2.198 371 D HA 0.626 5.264 4.640 -0.003 0.000 0.245 371 D C -0.459 175.880 176.300 0.065 0.000 1.079 371 D CA -1.580 52.463 54.000 0.071 0.000 0.854 371 D CB 1.378 42.228 40.800 0.085 0.000 1.148 371 D HN 0.233 nan 8.370 nan 0.000 0.456 372 P HA 0.191 nan 4.420 nan 0.000 0.258 372 P C -0.284 177.017 177.300 0.002 0.000 1.416 372 P CA -0.023 63.114 63.100 0.061 0.000 0.927 372 P CB 0.412 32.145 31.700 0.056 0.000 1.444 373 D N 1.306 121.710 120.400 0.006 0.000 2.311 373 D HA -0.144 4.494 4.640 -0.003 0.000 0.212 373 D C 1.338 177.632 176.300 -0.009 0.000 0.972 373 D CA 0.949 54.945 54.000 -0.008 0.000 0.887 373 D CB -0.325 40.478 40.800 0.005 0.000 0.915 373 D HN 0.304 nan 8.370 nan 0.000 0.497 374 N N -0.004 118.706 118.700 0.016 0.000 2.314 374 N HA 0.028 4.766 4.740 -0.003 0.000 0.200 374 N C 0.194 175.696 175.510 -0.013 0.000 1.135 374 N CA 0.043 53.120 53.050 0.045 0.000 0.835 374 N CB 0.365 38.932 38.487 0.133 0.000 0.989 374 N HN -0.010 nan 8.380 nan 0.000 0.478 375 R N 0.030 120.480 120.500 -0.084 0.000 2.698 375 R HA 0.429 4.767 4.340 -0.003 0.000 0.422 375 R C -0.205 176.052 176.300 -0.073 0.000 1.073 375 R CA -0.228 55.777 56.100 -0.158 0.000 1.054 375 R CB 0.789 30.942 30.300 -0.245 0.000 1.373 375 R HN 0.231 nan 8.270 nan 0.000 0.593 376 A N 0.870 123.644 122.820 -0.076 0.000 2.429 376 A HA 0.142 4.460 4.320 -0.003 0.000 0.242 376 A C 0.088 177.686 177.584 0.023 0.000 1.088 376 A CA -0.076 51.928 52.037 -0.056 0.000 0.784 376 A CB 0.312 19.268 19.000 -0.074 0.000 1.038 376 A HN 0.268 nan 8.150 nan 0.000 0.501 377 K N 0.302 120.701 120.400 -0.002 0.000 2.319 377 K HA 0.190 4.508 4.320 -0.003 0.000 0.265 377 K C 0.018 176.648 176.600 0.049 0.000 1.000 377 K CA -0.393 55.914 56.287 0.034 0.000 0.943 377 K CB 0.318 32.795 32.500 -0.037 0.000 0.950 377 K HN 0.654 nan 8.250 nan 0.000 0.485 378 M N 6.807 126.465 119.600 0.096 0.000 2.427 378 M HA 0.050 4.528 4.480 -0.003 0.000 0.345 378 M C -1.761 174.377 176.300 -0.269 0.000 1.653 378 M CA -1.373 53.913 55.300 -0.023 0.000 1.138 378 M CB 0.788 33.316 32.600 -0.120 0.000 1.995 378 M HN 0.439 nan 8.290 nan 0.000 0.459 379 P HA 0.040 nan 4.420 nan 0.000 0.225 379 P C -0.367 176.732 177.300 -0.335 0.000 1.156 379 P CA 0.585 63.544 63.100 -0.235 0.000 0.787 379 P CB 0.354 31.976 31.700 -0.131 0.000 0.802 380 S N -1.788 113.601 115.700 -0.518 0.000 2.611 380 S HA 0.479 4.947 4.470 -0.003 0.000 0.270 380 S C -1.667 172.490 174.600 -0.739 0.000 1.131 380 S CA -0.663 57.216 58.200 -0.535 0.000 0.826 380 S CB -0.057 63.019 63.200 -0.207 0.000 1.095 380 S HN -0.185 nan 8.310 nan 0.000 0.461 381 F N 2.226 122.034 119.950 -0.237 0.000 2.835 381 F HA 0.424 4.950 4.527 -0.003 0.000 0.342 381 F C 0.958 176.688 175.800 -0.116 0.000 1.202 381 F CA -0.271 57.476 58.000 -0.423 0.000 1.240 381 F CB 0.743 39.361 39.000 -0.636 0.000 1.005 381 F HN 0.574 nan 8.300 nan 0.000 0.507 382 S N 0.611 116.362 115.700 0.086 0.000 2.580 382 S HA 0.303 4.771 4.470 -0.003 0.000 0.274 382 S C 0.632 175.178 174.600 -0.089 0.000 1.329 382 S CA -0.381 57.828 58.200 0.015 0.000 1.036 382 S CB 0.989 64.182 63.200 -0.011 0.000 0.919 382 S HN 0.439 nan 8.310 nan 0.000 0.515 383 K N 2.423 122.595 120.400 -0.380 0.000 2.593 383 K HA 0.262 4.581 4.320 -0.003 0.000 0.208 383 K C 0.527 176.707 176.600 -0.701 0.000 1.051 383 K CA -0.195 55.373 56.287 -1.197 0.000 1.111 383 K CB 0.464 32.328 32.500 -1.061 0.000 0.849 383 K HN 0.489 nan 8.250 nan 0.000 0.479 384 S N 0.370 115.904 115.700 -0.276 0.000 2.502 384 S HA -0.038 4.431 4.470 -0.003 0.000 0.215 384 S C 0.969 175.593 174.600 0.041 0.000 1.009 384 S CA -0.099 58.047 58.200 -0.091 0.000 0.908 384 S CB 0.203 63.377 63.200 -0.043 0.000 0.801 384 S HN 0.533 nan 8.310 nan 0.000 0.505 385 T N 0.937 115.567 114.554 0.127 0.000 2.855 385 T HA 0.059 4.407 4.350 -0.003 0.000 0.322 385 T C 1.197 176.066 174.700 0.283 0.000 1.088 385 T CA 0.193 62.464 62.100 0.286 0.000 1.104 385 T CB 0.398 69.497 68.868 0.385 0.000 0.996 385 T HN 0.041 nan 8.240 nan 0.000 0.549 386 T N 1.599 116.352 114.554 0.332 0.000 2.904 386 T HA 0.071 4.419 4.350 -0.003 0.000 0.267 386 T C 2.398 177.229 174.700 0.218 0.000 1.059 386 T CA 0.913 63.161 62.100 0.246 0.000 1.137 386 T CB -0.643 68.357 68.868 0.219 0.000 0.879 386 T HN 0.798 nan 8.240 nan 0.000 0.467 387 A N 1.435 124.381 122.820 0.210 0.000 1.865 387 A HA -0.066 4.252 4.320 -0.003 0.000 0.217 387 A C 1.966 179.559 177.584 0.014 0.000 1.191 387 A CA 1.420 53.431 52.037 -0.044 0.000 0.623 387 A CB -1.087 17.576 19.000 -0.561 0.000 0.826 387 A HN 0.451 nan 8.150 nan 0.000 0.444 388 F N 1.437 121.360 119.950 -0.045 0.000 2.065 388 F HA -0.264 4.261 4.527 -0.003 0.000 0.298 388 F C 2.212 178.001 175.800 -0.018 0.000 1.112 388 F CA 2.133 60.120 58.000 -0.022 0.000 1.212 388 F CB -0.413 38.598 39.000 0.018 0.000 0.975 388 F HN 0.279 nan 8.300 nan 0.000 0.476 389 N N 0.735 119.648 118.700 0.355 0.000 2.036 389 N HA -0.194 4.544 4.740 -0.003 0.000 0.195 389 N C 1.947 177.504 175.510 0.079 0.000 1.037 389 N CA 2.222 55.410 53.050 0.229 0.000 0.855 389 N CB -0.527 38.060 38.487 0.168 0.000 1.033 389 N HN 0.259 nan 8.380 nan 0.000 0.423 390 V N 1.805 121.745 119.914 0.044 0.000 2.392 390 V HA -0.210 3.908 4.120 -0.003 0.000 0.249 390 V C 2.409 178.473 176.094 -0.050 0.000 1.059 390 V CA 1.224 63.522 62.300 -0.004 0.000 1.051 390 V CB -0.386 31.435 31.823 -0.003 0.000 0.658 390 V HN 0.284 nan 8.190 nan 0.000 0.455 391 I N 1.119 121.631 120.570 -0.098 0.000 2.163 391 I HA -0.207 3.961 4.170 -0.003 0.000 0.240 391 I C 2.662 178.690 176.117 -0.148 0.000 1.081 391 I CA 1.809 63.022 61.300 -0.144 0.000 1.353 391 I CB -0.551 37.310 38.000 -0.232 0.000 1.054 391 I HN 0.448 nan 8.210 nan 0.000 0.407 392 S N 0.747 116.344 115.700 -0.172 0.000 2.419 392 S HA -0.135 4.334 4.470 -0.003 0.000 0.235 392 S C 1.847 176.412 174.600 -0.059 0.000 1.019 392 S CA 0.834 58.964 58.200 -0.117 0.000 0.982 392 S CB -0.279 62.890 63.200 -0.052 0.000 0.789 392 S HN 0.383 nan 8.310 nan 0.000 0.490 393 K N 1.134 121.508 120.400 -0.042 0.000 2.098 393 K HA 0.270 4.588 4.320 -0.003 0.000 0.203 393 K C 2.027 178.596 176.600 -0.052 0.000 1.051 393 K CA 0.582 56.849 56.287 -0.033 0.000 0.957 393 K CB -0.387 32.102 32.500 -0.018 0.000 0.738 393 K HN 0.398 nan 8.250 nan 0.000 0.447 394 L N 0.511 121.697 121.223 -0.062 0.000 2.307 394 L HA 0.050 4.388 4.340 -0.003 0.000 0.211 394 L C 2.463 179.286 176.870 -0.078 0.000 1.099 394 L CA 0.371 55.169 54.840 -0.069 0.000 0.816 394 L CB -0.377 41.643 42.059 -0.064 0.000 0.952 394 L HN 0.049 nan 8.230 nan 0.000 0.455 395 A N 1.155 123.925 122.820 -0.083 0.000 1.855 395 A HA -0.073 4.245 4.320 -0.003 0.000 0.215 395 A C -0.164 177.362 177.584 -0.096 0.000 1.191 395 A CA 1.325 53.308 52.037 -0.089 0.000 0.613 395 A CB -1.759 17.185 19.000 -0.093 0.000 0.829 395 A HN 0.224 nan 8.150 nan 0.000 0.442 396 P HA -0.120 nan 4.420 nan 0.000 0.222 396 P C 1.092 178.331 177.300 -0.101 0.000 1.142 396 P CA 0.619 63.664 63.100 -0.090 0.000 0.788 396 P CB -0.067 31.590 31.700 -0.072 0.000 0.767 397 L N -0.718 120.446 121.223 -0.099 0.000 2.131 397 L HA -0.150 4.188 4.340 -0.003 0.000 0.210 397 L C 2.363 179.148 176.870 -0.143 0.000 1.092 397 L CA 1.749 56.525 54.840 -0.108 0.000 0.759 397 L CB -0.809 41.193 42.059 -0.096 0.000 0.903 397 L HN -0.065 nan 8.230 nan 0.000 0.435 398 R N -0.702 119.706 120.500 -0.153 0.000 2.193 398 R HA -0.106 4.232 4.340 -0.003 0.000 0.229 398 R C 1.769 177.926 176.300 -0.239 0.000 1.110 398 R CA 0.725 56.705 56.100 -0.201 0.000 0.988 398 R CB -0.170 30.022 30.300 -0.180 0.000 0.871 398 R HN 0.330 nan 8.270 nan 0.000 0.458 399 K N -0.149 120.137 120.400 -0.191 0.000 2.244 399 K HA 0.063 4.381 4.320 -0.003 0.000 0.200 399 K C 2.109 178.604 176.600 -0.174 0.000 1.052 399 K CA 1.102 57.276 56.287 -0.187 0.000 0.980 399 K CB 0.323 32.734 32.500 -0.147 0.000 0.838 399 K HN 0.131 nan 8.250 nan 0.000 0.481 400 S N 0.386 115.997 115.700 -0.149 0.000 2.421 400 S HA -0.006 4.463 4.470 -0.003 0.000 0.224 400 S C 0.929 175.445 174.600 -0.140 0.000 1.035 400 S CA 0.021 58.145 58.200 -0.128 0.000 0.953 400 S CB -0.260 62.882 63.200 -0.096 0.000 0.810 400 S HN 0.235 nan 8.310 nan 0.000 0.497 401 N N 2.889 121.497 118.700 -0.153 0.000 2.546 401 N HA 0.296 5.034 4.740 -0.003 0.000 0.238 401 N C -2.295 173.089 175.510 -0.209 0.000 0.984 401 N CA -2.138 50.823 53.050 -0.148 0.000 0.935 401 N CB 1.639 40.060 38.487 -0.111 0.000 1.122 401 N HN 0.062 nan 8.380 nan 0.000 0.510 402 P HA -0.084 nan 4.420 nan 0.000 0.236 402 P C 0.678 177.803 177.300 -0.292 0.000 1.172 402 P CA 0.531 63.371 63.100 -0.432 0.000 0.759 402 P CB 0.278 31.782 31.700 -0.326 0.000 0.843 403 A N 0.073 122.845 122.820 -0.079 0.000 1.970 403 A HA -0.055 4.264 4.320 -0.003 0.000 0.216 403 A C 2.156 179.713 177.584 -0.046 0.000 1.170 403 A CA 0.775 52.835 52.037 0.038 0.000 0.645 403 A CB -0.844 18.194 19.000 0.064 0.000 0.816 403 A HN 0.031 nan 8.150 nan 0.000 0.447 404 I N 0.030 120.524 120.570 -0.126 0.000 2.193 404 I HA -0.162 4.006 4.170 -0.003 0.000 0.240 404 I C 2.930 178.926 176.117 -0.202 0.000 1.084 404 I CA 1.439 62.661 61.300 -0.130 0.000 1.365 404 I CB -1.722 36.191 38.000 -0.146 0.000 1.064 404 I HN 0.324 nan 8.210 nan 0.000 0.410 405 A N 0.615 123.203 122.820 -0.386 0.000 1.883 405 A HA -0.201 4.117 4.320 -0.003 0.000 0.217 405 A C 1.711 179.064 177.584 -0.385 0.000 1.186 405 A CA 1.922 53.608 52.037 -0.585 0.000 0.624 405 A CB -0.687 17.630 19.000 -1.138 0.000 0.822 405 A HN 0.519 nan 8.150 nan 0.000 0.444 406 Y N -1.327 118.812 120.300 -0.268 0.000 2.563 406 Y HA 0.393 4.941 4.550 -0.003 0.000 0.250 406 Y C 1.329 177.219 175.900 -0.017 0.000 1.126 406 Y CA -1.071 56.894 58.100 -0.226 0.000 1.231 406 Y CB -0.862 37.244 38.460 -0.590 0.000 1.288 406 Y HN 0.227 nan 8.280 nan 0.000 0.537 407 G N 1.052 109.937 108.800 0.140 0.000 2.503 407 G HA2 0.386 4.344 3.960 -0.003 0.000 0.257 407 G HA3 0.386 4.344 3.960 -0.003 0.000 0.257 407 G C 0.280 175.287 174.900 0.179 0.000 1.214 407 G CA -0.150 45.090 45.100 0.234 0.000 0.839 407 G HN 0.227 nan 8.290 nan 0.000 0.559 408 S N -0.301 115.509 115.700 0.183 0.000 2.617 408 S HA 0.580 5.049 4.470 -0.003 0.000 0.259 408 S C 0.029 174.712 174.600 0.138 0.000 1.301 408 S CA -0.367 57.920 58.200 0.144 0.000 0.984 408 S CB 1.277 64.553 63.200 0.127 0.000 0.954 408 S HN 0.623 nan 8.310 nan 0.000 0.572 409 T N 1.599 116.233 114.554 0.134 0.000 2.879 409 T HA 0.548 4.896 4.350 -0.003 0.000 0.290 409 T C -1.019 173.772 174.700 0.151 0.000 0.993 409 T CA -0.633 61.562 62.100 0.160 0.000 0.975 409 T CB 1.394 70.351 68.868 0.149 0.000 0.981 409 T HN 0.665 nan 8.240 nan 0.000 0.439 410 Q N 2.512 122.409 119.800 0.161 0.000 2.289 410 Q HA 0.234 4.572 4.340 -0.003 0.000 0.270 410 Q C -1.364 174.719 176.000 0.139 0.000 1.038 410 Q CA -0.699 55.186 55.803 0.137 0.000 0.812 410 Q CB 2.260 31.061 28.738 0.106 0.000 1.300 410 Q HN 0.715 nan 8.270 nan 0.000 0.427 411 Q N 3.968 123.847 119.800 0.133 0.000 2.293 411 Q HA 0.125 4.463 4.340 -0.003 0.000 0.263 411 Q C -0.287 175.773 176.000 0.101 0.000 1.002 411 Q CA 0.075 55.937 55.803 0.099 0.000 0.910 411 Q CB 0.771 29.603 28.738 0.157 0.000 1.185 411 Q HN 0.636 nan 8.270 nan 0.000 0.401 412 R N 3.386 123.952 120.500 0.110 0.000 2.175 412 R HA 0.148 4.487 4.340 -0.003 0.000 0.202 412 R C -0.059 176.402 176.300 0.267 0.000 1.018 412 R CA 0.571 56.767 56.100 0.161 0.000 1.029 412 R CB 0.140 30.538 30.300 0.164 0.000 0.959 412 R HN 0.661 nan 8.270 nan 0.000 0.480 413 W N -0.385 120.925 121.300 0.016 0.000 3.167 413 W HA 0.647 5.305 4.660 -0.003 0.000 0.324 413 W C -1.304 175.238 176.519 0.039 0.000 1.230 413 W CA -0.596 56.769 57.345 0.034 0.000 1.184 413 W CB 1.576 31.067 29.460 0.050 0.000 1.414 413 W HN -0.159 nan 8.180 nan 0.000 0.551 414 I N 4.456 125.193 120.570 0.279 0.000 2.947 414 I HA 0.417 4.585 4.170 -0.003 0.000 0.301 414 I C -1.693 174.405 176.117 -0.031 0.000 1.453 414 I CA -0.563 60.853 61.300 0.194 0.000 0.984 414 I CB 1.875 39.871 38.000 -0.007 0.000 1.333 414 I HN 0.648 nan 8.210 nan 0.000 0.475 415 N N 3.364 122.057 118.700 -0.012 0.000 3.356 415 N HA 0.139 4.877 4.740 -0.003 0.000 0.246 415 N C -0.418 175.160 175.510 0.114 0.000 1.480 415 N CA -0.215 52.893 53.050 0.097 0.000 0.877 415 N CB 0.035 38.642 38.487 0.199 0.000 1.431 415 N HN 0.595 nan 8.380 nan 0.000 0.500 416 N N -0.071 118.794 118.700 0.276 0.000 2.061 416 N HA -0.194 4.545 4.740 -0.003 0.000 0.193 416 N C -0.264 175.284 175.510 0.062 0.000 1.030 416 N CA 2.019 55.188 53.050 0.198 0.000 0.856 416 N CB -0.442 38.136 38.487 0.153 0.000 1.023 416 N HN 0.581 nan 8.380 nan 0.000 0.424 417 D N -0.294 120.153 120.400 0.078 0.000 2.379 417 D HA 0.247 4.885 4.640 -0.003 0.000 0.208 417 D C -0.246 176.099 176.300 0.074 0.000 1.065 417 D CA -0.030 53.996 54.000 0.043 0.000 0.848 417 D CB 0.912 41.744 40.800 0.054 0.000 0.949 417 D HN 0.058 nan 8.370 nan 0.000 0.509 418 V N 0.769 120.767 119.914 0.140 0.000 2.680 418 V HA 0.431 4.549 4.120 -0.003 0.000 0.309 418 V C -1.394 174.895 176.094 0.324 0.000 1.052 418 V CA -0.951 61.472 62.300 0.205 0.000 0.908 418 V CB 2.436 34.380 31.823 0.202 0.000 1.001 418 V HN -0.050 nan 8.190 nan 0.000 0.431 419 Y N 3.292 123.678 120.300 0.144 0.000 2.401 419 Y HA 0.705 5.254 4.550 -0.003 0.000 0.330 419 Y C -1.067 174.994 175.900 0.267 0.000 1.071 419 Y CA -0.988 57.227 58.100 0.192 0.000 1.049 419 Y CB 2.104 40.643 38.460 0.131 0.000 1.239 419 Y HN 0.357 nan 8.280 nan 0.000 0.437 420 V N 7.995 127.892 119.914 -0.028 0.000 2.443 420 V HA 0.466 4.585 4.120 -0.003 0.000 0.293 420 V C -1.196 174.777 176.094 -0.202 0.000 1.021 420 V CA -0.835 61.434 62.300 -0.052 0.000 0.848 420 V CB 0.884 32.786 31.823 0.131 0.000 0.998 420 V HN 0.634 nan 8.190 nan 0.000 0.424 421 Y N 1.206 121.329 120.300 -0.295 0.000 2.602 421 Y HA 0.873 5.421 4.550 -0.003 0.000 0.342 421 Y C -0.500 175.371 175.900 -0.049 0.000 1.029 421 Y CA -1.447 56.512 58.100 -0.235 0.000 1.080 421 Y CB 1.798 40.078 38.460 -0.300 0.000 1.284 421 Y HN 0.604 nan 8.280 nan 0.000 0.485 422 E N 2.115 122.390 120.200 0.126 0.000 2.256 422 E HA 0.445 4.793 4.350 -0.003 0.000 0.268 422 E C -1.226 175.456 176.600 0.137 0.000 0.877 422 E CA -1.099 55.342 56.400 0.068 0.000 0.757 422 E CB 1.205 30.939 29.700 0.056 0.000 1.183 422 E HN 0.642 nan 8.360 nan 0.000 0.418 423 R N 3.034 123.596 120.500 0.104 0.000 2.428 423 R HA 0.489 4.827 4.340 -0.003 0.000 0.294 423 R C -0.575 175.783 176.300 0.097 0.000 1.000 423 R CA -0.561 55.609 56.100 0.116 0.000 0.960 423 R CB 1.338 31.693 30.300 0.091 0.000 1.076 423 R HN 0.564 nan 8.270 nan 0.000 0.475 424 K N 1.788 122.264 120.400 0.126 0.000 2.561 424 K HA 0.377 4.695 4.320 -0.003 0.000 0.254 424 K C -1.972 174.754 176.600 0.210 0.000 0.942 424 K CA -0.575 55.792 56.287 0.133 0.000 0.818 424 K CB 1.346 33.904 32.500 0.097 0.000 1.306 424 K HN 0.402 nan 8.250 nan 0.000 0.435 425 F N 4.456 124.433 119.950 0.044 0.000 2.671 425 F HA 0.492 5.017 4.527 -0.003 0.000 0.332 425 F C 0.357 176.182 175.800 0.041 0.000 1.189 425 F CA 0.740 58.777 58.000 0.061 0.000 0.988 425 F CB 1.353 40.399 39.000 0.077 0.000 1.258 425 F HN 0.863 nan 8.300 nan 0.000 0.471 426 G N 5.848 114.369 108.800 -0.466 0.000 2.591 426 G HA2 -0.380 3.578 3.960 -0.003 0.000 0.298 426 G HA3 -0.380 3.578 3.960 -0.003 0.000 0.298 426 G C 0.923 175.753 174.900 -0.117 0.000 1.195 426 G CA 0.581 45.459 45.100 -0.370 0.000 0.989 426 G HN 0.725 nan 8.290 nan 0.000 0.551 427 K N 0.754 121.113 120.400 -0.068 0.000 2.365 427 K HA 0.234 4.552 4.320 -0.003 0.000 0.197 427 K C 1.254 177.897 176.600 0.072 0.000 1.042 427 K CA 0.645 56.950 56.287 0.030 0.000 0.987 427 K CB 0.010 32.535 32.500 0.041 0.000 0.779 427 K HN 0.295 nan 8.250 nan 0.000 0.484 428 S N 0.834 116.549 115.700 0.024 0.000 2.580 428 S HA 0.267 4.735 4.470 -0.003 0.000 0.274 428 S C -0.122 174.526 174.600 0.081 0.000 1.329 428 S CA -0.602 57.602 58.200 0.006 0.000 1.036 428 S CB 1.485 64.683 63.200 -0.003 0.000 0.919 428 S HN -0.108 nan 8.310 nan 0.000 0.515 429 V N 0.529 120.493 119.914 0.082 0.000 3.160 429 V HA 0.981 5.099 4.120 -0.003 0.000 0.310 429 V C -0.651 175.466 176.094 0.038 0.000 1.181 429 V CA -0.938 61.412 62.300 0.084 0.000 1.047 429 V CB 2.031 33.920 31.823 0.110 0.000 1.068 429 V HN 1.000 nan 8.190 nan 0.000 0.441 430 A N 1.036 123.864 122.820 0.013 0.000 2.532 430 A HA 0.804 5.122 4.320 -0.003 0.000 0.296 430 A C -1.672 175.877 177.584 -0.057 0.000 1.058 430 A CA -0.425 51.595 52.037 -0.028 0.000 0.729 430 A CB 1.696 20.671 19.000 -0.042 0.000 1.285 430 A HN 0.911 nan 8.150 nan 0.000 0.396 431 V N 1.588 121.455 119.914 -0.078 0.000 2.656 431 V HA 0.743 4.861 4.120 -0.003 0.000 0.307 431 V C -0.468 175.431 176.094 -0.325 0.000 1.051 431 V CA -0.709 61.528 62.300 -0.106 0.000 0.893 431 V CB 1.756 33.667 31.823 0.147 0.000 0.999 431 V HN 0.828 nan 8.190 nan 0.000 0.426 432 V N 2.708 122.288 119.914 -0.557 0.000 2.531 432 V HA 0.870 4.988 4.120 -0.003 0.000 0.301 432 V C 0.083 175.890 176.094 -0.479 0.000 1.034 432 V CA -0.550 61.357 62.300 -0.655 0.000 0.865 432 V CB 1.769 33.102 31.823 -0.816 0.000 0.995 432 V HN 1.067 nan 8.190 nan 0.000 0.424 433 A N 4.388 127.004 122.820 -0.340 0.000 2.331 433 A HA 0.937 5.255 4.320 -0.003 0.000 0.320 433 A C -0.905 176.694 177.584 0.025 0.000 1.138 433 A CA -0.575 51.432 52.037 -0.049 0.000 0.790 433 A CB 1.632 20.728 19.000 0.160 0.000 1.206 433 A HN 0.751 nan 8.150 nan 0.000 0.470 434 V N 2.265 122.270 119.914 0.151 0.000 2.656 434 V HA 0.524 4.642 4.120 -0.003 0.000 0.307 434 V C -0.681 175.520 176.094 0.179 0.000 1.051 434 V CA -0.788 61.635 62.300 0.205 0.000 0.893 434 V CB 2.088 34.127 31.823 0.361 0.000 0.999 434 V HN 0.890 nan 8.190 nan 0.000 0.426 435 N N 2.646 121.436 118.700 0.149 0.000 2.617 435 N HA 0.289 5.027 4.740 -0.003 0.000 0.263 435 N C 0.903 176.491 175.510 0.131 0.000 1.074 435 N CA -0.734 52.384 53.050 0.113 0.000 0.841 435 N CB 1.313 39.840 38.487 0.066 0.000 1.221 435 N HN 0.709 nan 8.380 nan 0.000 0.529 436 R N 1.592 122.174 120.500 0.136 0.000 2.235 436 R HA 0.059 4.397 4.340 -0.003 0.000 0.213 436 R C 0.246 176.607 176.300 0.102 0.000 1.059 436 R CA 0.205 56.395 56.100 0.151 0.000 0.997 436 R CB -0.156 30.200 30.300 0.093 0.000 0.884 436 R HN 0.239 nan 8.270 nan 0.000 0.462 437 N N 1.684 120.428 118.700 0.074 0.000 2.452 437 N HA -0.027 4.711 4.740 -0.003 0.000 0.266 437 N C 0.379 175.926 175.510 0.061 0.000 1.209 437 N CA 0.149 53.234 53.050 0.058 0.000 0.929 437 N CB 0.892 39.408 38.487 0.048 0.000 1.063 437 N HN 0.273 nan 8.380 nan 0.000 0.472 438 L N 2.265 123.523 121.223 0.058 0.000 2.591 438 L HA -0.010 4.329 4.340 -0.003 0.000 0.228 438 L C 1.639 178.534 176.870 0.042 0.000 1.133 438 L CA 0.321 55.194 54.840 0.055 0.000 0.880 438 L CB -0.018 42.075 42.059 0.057 0.000 1.033 438 L HN 0.565 nan 8.230 nan 0.000 0.450 439 S N -3.189 112.533 115.700 0.037 0.000 2.593 439 S HA 0.107 4.576 4.470 -0.003 0.000 0.235 439 S C 0.814 175.431 174.600 0.028 0.000 1.059 439 S CA 0.055 58.273 58.200 0.030 0.000 0.953 439 S CB 0.245 63.461 63.200 0.026 0.000 0.897 439 S HN 0.306 nan 8.310 nan 0.000 0.507 440 T N 1.276 115.848 114.554 0.030 0.000 2.907 440 T HA 0.742 5.090 4.350 -0.003 0.000 0.292 440 T C -0.334 174.381 174.700 0.024 0.000 1.043 440 T CA -0.359 61.757 62.100 0.026 0.000 1.003 440 T CB 1.947 70.831 68.868 0.027 0.000 1.084 440 T HN 0.310 nan 8.240 nan 0.000 0.483 441 S N 1.150 116.859 115.700 0.015 0.000 2.722 441 S HA 0.866 5.335 4.470 -0.003 0.000 0.292 441 S C -0.197 174.391 174.600 -0.020 0.000 1.135 441 S CA -0.947 57.254 58.200 0.001 0.000 1.003 441 S CB 1.236 64.438 63.200 0.002 0.000 1.067 441 S HN 1.429 nan 8.310 nan 0.000 0.546 442 A N 0.813 123.593 122.820 -0.067 0.000 2.343 442 A HA 0.703 5.021 4.320 -0.003 0.000 0.316 442 A C -0.215 177.243 177.584 -0.211 0.000 1.104 442 A CA -0.764 51.205 52.037 -0.113 0.000 0.768 442 A CB 1.186 20.100 19.000 -0.143 0.000 1.213 442 A HN 0.701 nan 8.150 nan 0.000 0.456 443 S N 2.710 118.320 115.700 -0.150 0.000 2.485 443 S HA 0.294 4.763 4.470 -0.003 0.000 0.312 443 S C 0.040 174.471 174.600 -0.281 0.000 1.102 443 S CA -0.297 57.795 58.200 -0.181 0.000 1.066 443 S CB -0.537 62.626 63.200 -0.061 0.000 1.102 443 S HN 0.473 nan 8.310 nan 0.000 0.519 444 I N 4.630 124.833 120.570 -0.611 0.000 2.352 444 I HA 0.277 4.445 4.170 -0.003 0.000 0.290 444 I C 0.958 176.844 176.117 -0.384 0.000 1.036 444 I CA -0.298 60.496 61.300 -0.844 0.000 1.336 444 I CB 0.042 37.139 38.000 -1.505 0.000 1.407 444 I HN 0.500 nan 8.210 nan 0.000 0.497 445 T N 0.748 115.295 114.554 -0.012 0.000 2.893 445 T HA 0.663 5.012 4.350 -0.003 0.000 0.293 445 T C 0.605 175.464 174.700 0.264 0.000 1.027 445 T CA -0.160 62.008 62.100 0.114 0.000 0.988 445 T CB 1.999 70.934 68.868 0.113 0.000 1.043 445 T HN 1.039 nan 8.240 nan 0.000 0.461 446 G N 0.883 109.799 108.800 0.194 0.000 2.159 446 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.256 446 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.256 446 G C -0.047 174.999 174.900 0.243 0.000 0.977 446 G CA 0.075 45.295 45.100 0.200 0.000 0.652 446 G HN 1.256 nan 8.290 nan 0.000 0.531 447 L N 1.929 123.309 121.223 0.262 0.000 2.462 447 L HA 0.642 4.980 4.340 -0.003 0.000 0.272 447 L C 0.156 177.118 176.870 0.153 0.000 1.166 447 L CA 0.270 55.270 54.840 0.267 0.000 0.880 447 L CB 0.974 43.166 42.059 0.223 0.000 1.142 447 L HN 0.138 nan 8.230 nan 0.000 0.473 448 S N 3.276 119.062 115.700 0.144 0.000 2.502 448 S HA 0.772 5.240 4.470 -0.003 0.000 0.304 448 S C -0.087 174.551 174.600 0.063 0.000 1.097 448 S CA -0.302 57.945 58.200 0.079 0.000 1.045 448 S CB 1.583 64.826 63.200 0.071 0.000 1.019 448 S HN 0.908 nan 8.310 nan 0.000 0.481 449 T N -0.825 113.741 114.554 0.020 0.000 2.676 449 T HA 0.580 4.929 4.350 -0.003 0.000 0.269 449 T C 0.224 174.920 174.700 -0.007 0.000 0.952 449 T CA -0.740 61.364 62.100 0.007 0.000 1.040 449 T CB 1.072 69.921 68.868 -0.031 0.000 1.352 449 T HN 0.253 nan 8.240 nan 0.000 0.554 450 S N -0.071 115.619 115.700 -0.017 0.000 2.664 450 S HA 0.361 4.829 4.470 -0.003 0.000 0.245 450 S C 0.078 174.648 174.600 -0.050 0.000 1.019 450 S CA -0.529 57.663 58.200 -0.014 0.000 0.996 450 S CB -0.533 62.676 63.200 0.016 0.000 0.878 450 S HN 0.464 nan 8.310 nan 0.000 0.493 451 L N 4.359 125.513 121.223 -0.114 0.000 2.361 451 L HA 0.265 4.603 4.340 -0.003 0.000 0.278 451 L C -1.970 174.813 176.870 -0.146 0.000 1.113 451 L CA -1.873 52.825 54.840 -0.236 0.000 0.849 451 L CB 0.293 42.052 42.059 -0.500 0.000 1.155 451 L HN 0.018 nan 8.230 nan 0.000 0.452 452 P HA -0.028 nan 4.420 nan 0.000 0.270 452 P C -0.431 176.849 177.300 -0.033 0.000 1.227 452 P CA -0.328 62.660 63.100 -0.186 0.000 0.788 452 P CB 0.148 31.585 31.700 -0.437 0.000 0.926 453 T N 0.643 115.163 114.554 -0.057 0.000 2.871 453 T HA 0.431 4.779 4.350 -0.003 0.000 0.296 453 T C 0.716 175.339 174.700 -0.128 0.000 0.998 453 T CA 0.637 62.705 62.100 -0.053 0.000 1.162 453 T CB -0.224 68.605 68.868 -0.065 0.000 0.947 453 T HN 0.783 nan 8.240 nan 0.000 0.536 454 G N 1.090 109.764 108.800 -0.210 0.000 0.000 454 G HA2 0.463 4.421 3.960 -0.003 0.000 0.000 454 G HA3 0.463 4.421 3.960 -0.003 0.000 0.000 454 G C -1.335 173.207 174.900 -0.596 0.000 0.000 454 G CA -0.798 43.999 45.100 -0.504 0.000 0.000 454 G HN 0.592 nan 8.290 nan 0.000 0.000 455 S N -0.461 114.883 115.700 -0.593 0.000 2.422 455 S HA 0.677 5.145 4.470 -0.003 0.000 0.308 455 S C -1.266 173.007 174.600 -0.545 0.000 1.097 455 S CA -0.483 57.472 58.200 -0.407 0.000 1.099 455 S CB 0.022 63.079 63.200 -0.238 0.000 0.976 455 S HN 0.365 nan 8.310 nan 0.000 0.471 456 Y N 2.562 122.774 120.300 -0.147 0.000 2.341 456 Y HA 0.369 4.917 4.550 -0.003 0.000 0.337 456 Y C 1.092 176.982 175.900 -0.017 0.000 1.014 456 Y CA -0.610 57.436 58.100 -0.090 0.000 1.111 456 Y CB 1.589 39.958 38.460 -0.152 0.000 1.194 456 Y HN 0.414 nan 8.280 nan 0.000 0.462 457 T N 2.305 117.014 114.554 0.259 0.000 2.909 457 T HA 0.085 4.433 4.350 -0.003 0.000 0.286 457 T C -0.677 174.239 174.700 0.361 0.000 1.002 457 T CA -0.620 61.624 62.100 0.239 0.000 1.074 457 T CB 0.511 69.462 68.868 0.137 0.000 0.984 457 T HN 0.507 nan 8.240 nan 0.000 0.495 458 D N 2.237 122.802 120.400 0.275 0.000 2.338 458 D HA 0.110 4.748 4.640 -0.003 0.000 0.255 458 D C 1.252 177.567 176.300 0.025 0.000 1.237 458 D CA -0.361 53.706 54.000 0.111 0.000 0.883 458 D CB 0.503 41.359 40.800 0.093 0.000 1.087 458 D HN 0.171 nan 8.370 nan 0.000 0.485 459 V N 4.401 124.296 119.914 -0.033 0.000 2.527 459 V HA -0.254 3.865 4.120 -0.003 0.000 0.255 459 V C 2.199 178.275 176.094 -0.030 0.000 1.081 459 V CA 1.386 63.669 62.300 -0.028 0.000 1.092 459 V CB -0.604 31.183 31.823 -0.061 0.000 0.673 459 V HN 0.680 nan 8.190 nan 0.000 0.470 460 L N 0.216 121.409 121.223 -0.049 0.000 2.599 460 L HA 0.230 4.568 4.340 -0.003 0.000 0.230 460 L C 1.867 178.738 176.870 0.002 0.000 1.141 460 L CA 0.750 55.574 54.840 -0.028 0.000 0.877 460 L CB -0.630 41.402 42.059 -0.045 0.000 1.009 460 L HN 0.572 nan 8.230 nan 0.000 0.447 461 G N 0.202 109.011 108.800 0.014 0.000 2.187 461 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.261 461 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.261 461 G C 0.989 175.911 174.900 0.035 0.000 1.000 461 G CA 0.405 45.523 45.100 0.030 0.000 0.718 461 G HN 0.676 nan 8.290 nan 0.000 0.519 462 G N -2.386 106.434 108.800 0.034 0.000 2.143 462 G HA2 -0.079 3.879 3.960 -0.003 0.000 0.249 462 G HA3 -0.079 3.879 3.960 -0.003 0.000 0.249 462 G C 1.851 176.774 174.900 0.037 0.000 0.981 462 G CA 1.762 46.887 45.100 0.041 0.000 0.665 462 G HN 2.168 nan 8.290 nan 0.000 0.528 463 V N -1.746 118.187 119.914 0.032 0.000 2.407 463 V HA 0.199 4.318 4.120 -0.003 0.000 0.248 463 V C 1.899 178.018 176.094 0.042 0.000 1.055 463 V CA 2.082 64.406 62.300 0.040 0.000 1.049 463 V CB -0.305 31.544 31.823 0.044 0.000 0.662 463 V HN 0.447 nan 8.190 nan 0.000 0.455 464 L N 1.450 122.693 121.223 0.032 0.000 3.073 464 L HA 0.435 4.774 4.340 -0.003 0.000 0.242 464 L C 0.418 177.310 176.870 0.037 0.000 1.317 464 L CA -0.228 54.633 54.840 0.035 0.000 1.081 464 L CB -0.658 41.414 42.059 0.022 0.000 1.456 464 L HN 0.400 nan 8.230 nan 0.000 0.525 465 N N 0.665 119.392 118.700 0.044 0.000 2.721 465 N HA -0.154 4.584 4.740 -0.003 0.000 0.249 465 N C 0.467 176.018 175.510 0.069 0.000 1.072 465 N CA 1.064 54.147 53.050 0.055 0.000 0.710 465 N CB -1.064 37.457 38.487 0.058 0.000 0.993 465 N HN 0.591 nan 8.380 nan 0.000 0.547 466 G N 0.025 108.859 108.800 0.056 0.000 2.476 466 G HA2 0.436 4.394 3.960 -0.003 0.000 0.269 466 G HA3 0.436 4.394 3.960 -0.003 0.000 0.269 466 G C 0.555 175.538 174.900 0.138 0.000 1.195 466 G CA -0.421 44.723 45.100 0.074 0.000 0.843 466 G HN 0.444 nan 8.290 nan 0.000 0.545 467 N N 0.330 119.174 118.700 0.240 0.000 2.813 467 N HA 0.282 5.020 4.740 -0.003 0.000 0.320 467 N C -1.058 174.632 175.510 0.300 0.000 1.315 467 N CA -0.887 52.302 53.050 0.231 0.000 0.871 467 N CB 1.278 39.904 38.487 0.232 0.000 1.241 467 N HN 0.363 nan 8.380 nan 0.000 0.602 468 N N -0.121 118.662 118.700 0.138 0.000 2.321 468 N HA 0.458 5.196 4.740 -0.003 0.000 0.299 468 N C -0.347 175.038 175.510 -0.208 0.000 1.048 468 N CA -0.433 52.643 53.050 0.042 0.000 0.836 468 N CB 2.384 40.892 38.487 0.034 0.000 1.269 468 N HN 0.577 nan 8.380 nan 0.000 0.486 469 I N -2.163 118.135 120.570 -0.454 0.000 3.237 469 I HA 0.698 4.866 4.170 -0.003 0.000 0.308 469 I C -0.362 175.543 176.117 -0.353 0.000 1.093 469 I CA -0.571 60.346 61.300 -0.637 0.000 1.001 469 I CB 2.204 39.421 38.000 -1.305 0.000 1.245 469 I HN 0.119 nan 8.210 nan 0.000 0.485 470 T N 1.374 115.746 114.554 -0.304 0.000 3.109 470 T HA 0.330 4.678 4.350 -0.003 0.000 0.311 470 T C -0.909 173.712 174.700 -0.132 0.000 1.011 470 T CA -0.462 61.527 62.100 -0.186 0.000 1.026 470 T CB 1.286 70.059 68.868 -0.157 0.000 1.047 470 T HN 0.764 nan 8.240 nan 0.000 0.448 471 S N 2.205 117.889 115.700 -0.026 0.000 2.525 471 S HA 0.659 5.127 4.470 -0.003 0.000 0.290 471 S C -0.228 174.358 174.600 -0.025 0.000 1.152 471 S CA -0.450 57.754 58.200 0.007 0.000 1.072 471 S CB 0.604 63.900 63.200 0.160 0.000 1.027 471 S HN 0.649 nan 8.310 nan 0.000 0.500 472 T N 4.086 118.621 114.554 -0.031 0.000 3.241 472 T HA 0.368 4.717 4.350 -0.003 0.000 0.387 472 T C -0.633 174.053 174.700 -0.024 0.000 1.451 472 T CA -0.753 61.327 62.100 -0.034 0.000 1.363 472 T CB -0.697 68.151 68.868 -0.033 0.000 1.074 472 T HN 0.854 nan 8.240 nan 0.000 0.598 473 N N 1.864 120.549 118.700 -0.024 0.000 2.708 473 N HA -0.176 4.562 4.740 -0.003 0.000 0.255 473 N C 1.240 176.738 175.510 -0.018 0.000 1.046 473 N CA 0.880 53.916 53.050 -0.023 0.000 0.715 473 N CB -1.362 37.114 38.487 -0.019 0.000 0.895 473 N HN 1.056 nan 8.380 nan 0.000 0.545 474 G N -1.656 107.130 108.800 -0.024 0.000 2.579 474 G HA2 -0.362 3.596 3.960 -0.003 0.000 0.222 474 G HA3 -0.362 3.596 3.960 -0.003 0.000 0.222 474 G C 0.233 175.120 174.900 -0.022 0.000 1.201 474 G CA 0.113 45.199 45.100 -0.024 0.000 0.710 474 G HN 0.683 nan 8.290 nan 0.000 0.516 475 S N 2.849 118.542 115.700 -0.012 0.000 2.611 475 S HA 0.411 4.879 4.470 -0.003 0.000 0.317 475 S C 0.599 175.179 174.600 -0.033 0.000 1.208 475 S CA 0.084 58.281 58.200 -0.006 0.000 1.217 475 S CB 0.226 63.426 63.200 0.000 0.000 1.085 475 S HN 0.403 nan 8.310 nan 0.000 0.529 476 I N 3.695 124.239 120.570 -0.044 0.000 2.472 476 I HA 0.194 4.362 4.170 -0.003 0.000 0.290 476 I C 0.751 176.844 176.117 -0.040 0.000 1.016 476 I CA -0.600 60.629 61.300 -0.119 0.000 1.348 476 I CB 0.309 38.184 38.000 -0.208 0.000 1.417 476 I HN 0.517 nan 8.210 nan 0.000 0.521 477 N N 5.028 123.686 118.700 -0.070 0.000 2.479 477 N HA 0.169 4.907 4.740 -0.003 0.000 0.285 477 N C -0.432 175.142 175.510 0.107 0.000 1.075 477 N CA -0.711 52.343 53.050 0.007 0.000 0.967 477 N CB 0.458 38.931 38.487 -0.024 0.000 1.137 477 N HN 0.413 nan 8.380 nan 0.000 0.472 478 N N 1.789 120.563 118.700 0.123 0.000 1.691 478 N HA -0.158 4.581 4.740 -0.003 0.000 0.344 478 N C -1.253 174.382 175.510 0.208 0.000 1.264 478 N CA 1.078 54.207 53.050 0.132 0.000 0.780 478 N CB -0.335 38.188 38.487 0.060 0.000 1.003 478 N HN 0.431 nan 8.380 nan 0.000 0.515 479 F N -1.731 118.169 119.950 -0.084 0.000 2.668 479 F HA 0.562 5.087 4.527 -0.003 0.000 0.309 479 F C -0.361 175.397 175.800 -0.070 0.000 1.117 479 F CA -1.123 56.832 58.000 -0.075 0.000 0.951 479 F CB 0.838 39.779 39.000 -0.099 0.000 1.323 479 F HN 0.054 nan 8.300 nan 0.000 0.451 480 T N 3.103 117.657 114.554 -0.000 0.000 2.882 480 T HA 0.560 4.908 4.350 -0.003 0.000 0.287 480 T C -1.246 173.442 174.700 -0.019 0.000 0.992 480 T CA -0.282 61.756 62.100 -0.104 0.000 1.076 480 T CB 1.129 69.989 68.868 -0.013 0.000 0.961 480 T HN 0.627 nan 8.240 nan 0.000 0.490 481 L N 4.078 125.227 121.223 -0.125 0.000 2.295 481 L HA 0.681 5.019 4.340 -0.003 0.000 0.281 481 L C 0.400 177.276 176.870 0.009 0.000 1.018 481 L CA -0.537 54.300 54.840 -0.004 0.000 0.841 481 L CB 0.061 42.055 42.059 -0.109 0.000 1.218 481 L HN 0.793 nan 8.230 nan 0.000 0.424 482 A N 4.000 126.854 122.820 0.056 0.000 2.387 482 A HA 0.625 4.943 4.320 -0.003 0.000 0.251 482 A C 0.430 178.040 177.584 0.043 0.000 1.113 482 A CA 0.188 52.253 52.037 0.046 0.000 0.794 482 A CB -0.085 18.950 19.000 0.059 0.000 1.069 482 A HN 1.037 nan 8.150 nan 0.000 0.506 483 A N -0.686 122.159 122.820 0.041 0.000 2.492 483 A HA 0.482 4.801 4.320 -0.003 0.000 0.254 483 A C 1.545 179.163 177.584 0.058 0.000 1.091 483 A CA 0.623 52.688 52.037 0.046 0.000 0.768 483 A CB -1.123 17.901 19.000 0.041 0.000 1.028 483 A HN 2.724 nan 8.150 nan 0.000 0.498 484 G N 1.068 109.910 108.800 0.070 0.000 2.187 484 G HA2 0.088 4.046 3.960 -0.003 0.000 0.261 484 G HA3 0.088 4.046 3.960 -0.003 0.000 0.261 484 G C 0.611 175.560 174.900 0.081 0.000 1.000 484 G CA 0.750 45.902 45.100 0.086 0.000 0.718 484 G HN 2.091 nan 8.290 nan 0.000 0.519 485 A N -0.930 121.935 122.820 0.074 0.000 2.332 485 A HA 0.855 5.174 4.320 -0.003 0.000 0.258 485 A C 0.641 178.265 177.584 0.067 0.000 1.087 485 A CA 1.022 53.101 52.037 0.070 0.000 0.802 485 A CB 1.074 20.121 19.000 0.078 0.000 1.042 485 A HN 1.804 nan 8.150 nan 0.000 0.489 486 T N -0.955 113.621 114.554 0.036 0.000 3.193 486 T HA 0.609 4.957 4.350 -0.003 0.000 0.332 486 T C -1.003 173.637 174.700 -0.100 0.000 1.208 486 T CA 0.309 62.403 62.100 -0.011 0.000 1.080 486 T CB 0.876 69.753 68.868 0.015 0.000 1.180 486 T HN 2.068 nan 8.240 nan 0.000 0.469 487 A N 3.159 125.817 122.820 -0.271 0.000 2.498 487 A HA 0.878 5.196 4.320 -0.003 0.000 0.298 487 A C -1.324 175.709 177.584 -0.918 0.000 1.075 487 A CA -0.701 51.012 52.037 -0.539 0.000 0.714 487 A CB 2.111 20.785 19.000 -0.543 0.000 1.299 487 A HN 1.032 nan 8.150 nan 0.000 0.407 488 V N 1.843 121.219 119.914 -0.898 0.000 2.482 488 V HA 0.514 4.632 4.120 -0.003 0.000 0.295 488 V C -1.333 174.344 176.094 -0.695 0.000 1.026 488 V CA -0.508 61.350 62.300 -0.737 0.000 0.856 488 V CB 1.275 32.887 31.823 -0.353 0.000 1.001 488 V HN 0.808 nan 8.190 nan 0.000 0.424 489 W N 4.514 125.749 121.300 -0.107 0.000 2.600 489 W HA 0.671 5.330 4.660 -0.003 0.000 0.325 489 W C -0.080 176.348 176.519 -0.152 0.000 1.034 489 W CA -0.608 56.669 57.345 -0.113 0.000 1.226 489 W CB 1.885 31.243 29.460 -0.169 0.000 1.379 489 W HN 0.741 nan 8.180 nan 0.000 0.466 490 Q N 1.275 121.122 119.800 0.078 0.000 2.814 490 Q HA 0.752 5.090 4.340 -0.003 0.000 0.283 490 Q C -1.878 174.184 176.000 0.104 0.000 1.071 490 Q CA -1.105 54.718 55.803 0.033 0.000 0.849 490 Q CB 3.003 31.747 28.738 0.010 0.000 1.437 490 Q HN 0.291 nan 8.270 nan 0.000 0.492 491 Y N 0.067 120.347 120.300 -0.033 0.000 2.264 491 Y HA 0.357 4.906 4.550 -0.003 0.000 0.321 491 Y C -1.885 174.028 175.900 0.022 0.000 1.199 491 Y CA -0.297 57.813 58.100 0.017 0.000 1.175 491 Y CB 1.722 40.169 38.460 -0.021 0.000 1.213 491 Y HN 0.785 nan 8.280 nan 0.000 0.414 492 T N 4.291 118.488 114.554 -0.594 0.000 2.888 492 T HA 0.746 5.094 4.350 -0.003 0.000 0.284 492 T C -0.673 173.637 174.700 -0.649 0.000 1.017 492 T CA -0.577 61.218 62.100 -0.508 0.000 1.022 492 T CB 1.980 70.711 68.868 -0.229 0.000 1.013 492 T HN 0.636 nan 8.240 nan 0.000 0.465 493 T N 0.222 114.518 114.554 -0.431 0.000 2.769 493 T HA 0.645 4.994 4.350 -0.003 0.000 0.306 493 T C -1.383 173.245 174.700 -0.120 0.000 1.400 493 T CA -0.486 61.464 62.100 -0.250 0.000 1.007 493 T CB 1.059 69.806 68.868 -0.203 0.000 1.392 493 T HN 0.829 nan 8.240 nan 0.000 0.500 494 A N 1.976 124.759 122.820 -0.063 0.000 2.401 494 A HA 0.607 4.925 4.320 -0.003 0.000 0.259 494 A C -0.013 177.552 177.584 -0.031 0.000 1.103 494 A CA -0.096 51.917 52.037 -0.040 0.000 0.789 494 A CB 0.116 19.103 19.000 -0.022 0.000 1.035 494 A HN 0.696 nan 8.150 nan 0.000 0.491 495 E N 0.678 120.857 120.200 -0.035 0.000 2.283 495 E HA 0.391 4.739 4.350 -0.003 0.000 0.278 495 E C 0.814 177.398 176.600 -0.028 0.000 1.027 495 E CA 0.319 56.694 56.400 -0.041 0.000 0.843 495 E CB 1.359 31.025 29.700 -0.057 0.000 1.062 495 E HN 0.593 nan 8.360 nan 0.000 0.401 496 T N 1.370 115.914 114.554 -0.018 0.000 3.034 496 T HA 0.090 4.438 4.350 -0.003 0.000 0.248 496 T C 0.337 175.047 174.700 0.015 0.000 1.040 496 T CA 0.862 62.963 62.100 0.003 0.000 1.107 496 T CB 0.097 68.971 68.868 0.009 0.000 0.932 496 T HN 0.622 nan 8.240 nan 0.000 0.474 497 T N 1.942 116.498 114.554 0.003 0.000 2.925 497 T HA 0.634 4.982 4.350 -0.003 0.000 0.285 497 T C -2.991 171.725 174.700 0.027 0.000 1.021 497 T CA -2.117 60.000 62.100 0.027 0.000 1.042 497 T CB 1.614 70.491 68.868 0.015 0.000 1.037 497 T HN -0.040 nan 8.240 nan 0.000 0.481 498 P HA 0.258 nan 4.420 nan 0.000 0.271 498 P C -0.540 176.831 177.300 0.117 0.000 1.216 498 P CA 0.075 63.280 63.100 0.175 0.000 0.771 498 P CB 0.777 32.704 31.700 0.379 0.000 0.864 499 T N 3.637 118.235 114.554 0.072 0.000 3.143 499 T HA 0.386 4.734 4.350 -0.003 0.000 0.312 499 T C -0.309 174.561 174.700 0.285 0.000 0.986 499 T CA -0.611 61.528 62.100 0.066 0.000 1.024 499 T CB -0.033 68.694 68.868 -0.236 0.000 1.030 499 T HN 0.140 nan 8.240 nan 0.000 0.448 500 I N 4.338 125.121 120.570 0.355 0.000 2.556 500 I HA 0.331 4.499 4.170 -0.003 0.000 0.284 500 I C 1.527 177.868 176.117 0.372 0.000 1.114 500 I CA 0.408 61.924 61.300 0.360 0.000 1.418 500 I CB 1.186 39.323 38.000 0.227 0.000 1.394 500 I HN 0.882 nan 8.210 nan 0.000 0.552 501 G N 5.112 113.916 108.800 0.007 0.000 2.781 501 G HA2 0.083 4.041 3.960 -0.003 0.000 0.208 501 G HA3 0.083 4.041 3.960 -0.003 0.000 0.208 501 G C 0.267 174.869 174.900 -0.497 0.000 1.099 501 G CA 0.231 45.023 45.100 -0.512 0.000 0.776 501 G HN 0.642 nan 8.290 nan 0.000 0.532 502 H N -1.322 117.392 119.070 -0.593 0.000 3.068 502 H HA 0.452 5.007 4.556 -0.003 0.000 0.342 502 H C -2.131 172.707 175.328 -0.817 0.000 1.284 502 H CA -0.382 55.294 56.048 -0.619 0.000 1.181 502 H CB 2.533 32.004 29.762 -0.485 0.000 1.898 502 H HN -0.110 nan 8.280 nan 0.000 0.540 503 V N 2.150 121.167 119.914 -1.494 0.000 2.525 503 V HA 0.557 4.676 4.120 -0.003 0.000 0.299 503 V C -0.125 175.515 176.094 -0.758 0.000 1.034 503 V CA -0.237 61.483 62.300 -0.966 0.000 0.863 503 V CB 1.590 32.854 31.823 -0.932 0.000 0.999 503 V HN 0.833 nan 8.190 nan 0.000 0.423 504 G N 6.293 114.883 108.800 -0.351 0.000 2.723 504 G HA2 0.736 4.695 3.960 -0.003 0.000 0.295 504 G HA3 0.736 4.695 3.960 -0.003 0.000 0.295 504 G C -3.100 171.740 174.900 -0.100 0.000 1.464 504 G CA -1.254 43.755 45.100 -0.152 0.000 1.012 504 G HN 0.482 nan 8.290 nan 0.000 0.522 505 P HA 0.276 nan 4.420 nan 0.000 0.297 505 P C 0.694 177.956 177.300 -0.064 0.000 1.303 505 P CA -0.284 62.645 63.100 -0.285 0.000 0.753 505 P CB 1.578 32.715 31.700 -0.938 0.000 1.281 506 V N -3.977 115.880 119.914 -0.095 0.000 3.006 506 V HA 0.526 4.644 4.120 -0.003 0.000 0.357 506 V C 0.262 176.027 176.094 -0.549 0.000 1.377 506 V CA 0.028 62.311 62.300 -0.028 0.000 1.198 506 V CB -0.578 31.307 31.823 0.104 0.000 1.216 506 V HN 0.490 nan 8.190 nan 0.000 0.520 507 M N 0.775 120.057 119.600 -0.530 0.000 2.373 507 M HA 0.726 5.204 4.480 -0.003 0.000 0.290 507 M C -0.732 175.433 176.300 -0.225 0.000 1.143 507 M CA 0.423 55.426 55.300 -0.494 0.000 0.949 507 M CB 2.002 34.487 32.600 -0.192 0.000 1.756 507 M HN 0.526 nan 8.290 nan 0.000 0.494 508 G N 3.196 111.891 108.800 -0.176 0.000 2.316 508 G HA2 0.369 4.327 3.960 -0.003 0.000 0.296 508 G HA3 0.369 4.327 3.960 -0.003 0.000 0.296 508 G C -2.429 172.470 174.900 -0.002 0.000 1.399 508 G CA -0.794 44.308 45.100 0.004 0.000 0.833 508 G HN 0.915 nan 8.290 nan 0.000 0.565 509 K N -0.754 119.653 120.400 0.012 0.000 2.211 509 K HA 0.819 5.137 4.320 -0.003 0.000 0.237 509 K C -2.905 173.672 176.600 -0.038 0.000 1.002 509 K CA -1.948 54.332 56.287 -0.012 0.000 0.885 509 K CB 1.178 33.673 32.500 -0.007 0.000 1.136 509 K HN 0.275 nan 8.250 nan 0.000 0.448 510 P HA 0.047 nan 4.420 nan 0.000 0.265 510 P C 0.368 177.624 177.300 -0.073 0.000 1.193 510 P CA 1.089 64.123 63.100 -0.110 0.000 0.765 510 P CB 0.667 32.305 31.700 -0.104 0.000 0.823 511 G N 1.565 110.315 108.800 -0.084 0.000 2.238 511 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.217 511 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.217 511 G C 0.311 175.190 174.900 -0.036 0.000 0.996 511 G CA -0.460 44.609 45.100 -0.052 0.000 0.632 511 G HN 0.508 nan 8.290 nan 0.000 0.503 512 N N -0.031 118.650 118.700 -0.031 0.000 2.445 512 N HA 0.560 5.299 4.740 -0.003 0.000 0.264 512 N C 0.072 175.569 175.510 -0.022 0.000 1.227 512 N CA -0.120 52.927 53.050 -0.005 0.000 0.963 512 N CB 1.519 40.024 38.487 0.030 0.000 1.188 512 N HN 0.189 nan 8.380 nan 0.000 0.491 513 V N 1.038 120.945 119.914 -0.013 0.000 2.435 513 V HA 0.463 4.581 4.120 -0.003 0.000 0.290 513 V C 0.087 176.164 176.094 -0.028 0.000 1.030 513 V CA -0.785 61.499 62.300 -0.026 0.000 0.881 513 V CB 1.304 33.111 31.823 -0.026 0.000 0.983 513 V HN 0.486 nan 8.190 nan 0.000 0.445 514 V N 1.827 121.716 119.914 -0.042 0.000 2.815 514 V HA 0.758 4.876 4.120 -0.003 0.000 0.314 514 V C -0.153 175.877 176.094 -0.106 0.000 1.064 514 V CA -0.405 61.858 62.300 -0.062 0.000 0.952 514 V CB 2.129 33.914 31.823 -0.062 0.000 1.020 514 V HN 0.755 nan 8.190 nan 0.000 0.439 515 T N 5.211 119.694 114.554 -0.119 0.000 2.756 515 T HA 0.609 4.958 4.350 -0.003 0.000 0.290 515 T C -0.134 174.445 174.700 -0.202 0.000 0.985 515 T CA 0.039 62.059 62.100 -0.133 0.000 0.955 515 T CB 0.389 69.216 68.868 -0.069 0.000 0.930 515 T HN 0.614 nan 8.240 nan 0.000 0.451 516 I N 3.718 124.129 120.570 -0.265 0.000 2.307 516 I HA 0.305 4.473 4.170 -0.003 0.000 0.289 516 I C -0.240 175.768 176.117 -0.182 0.000 1.021 516 I CA -0.740 60.359 61.300 -0.335 0.000 1.224 516 I CB 0.974 38.669 38.000 -0.507 0.000 1.376 516 I HN 0.436 nan 8.210 nan 0.000 0.470 517 D N 4.638 124.968 120.400 -0.118 0.000 2.181 517 D HA 0.774 5.412 4.640 -0.003 0.000 0.248 517 D C 0.345 176.646 176.300 0.002 0.000 1.020 517 D CA 0.023 54.002 54.000 -0.034 0.000 0.891 517 D CB 2.325 43.021 40.800 -0.172 0.000 1.187 517 D HN 0.770 nan 8.370 nan 0.000 0.443 518 G N 0.520 109.322 108.800 0.003 0.000 2.441 518 G HA2 0.359 4.317 3.960 -0.003 0.000 0.225 518 G HA3 0.359 4.317 3.960 -0.003 0.000 0.225 518 G C -1.277 173.406 174.900 -0.361 0.000 1.200 518 G CA -0.606 44.426 45.100 -0.113 0.000 0.947 518 G HN 0.303 nan 8.290 nan 0.000 0.484 519 R N -1.188 118.960 120.500 -0.586 0.000 2.764 519 R HA 0.600 4.938 4.340 -0.003 0.000 0.270 519 R C 0.663 176.598 176.300 -0.609 0.000 1.014 519 R CA -0.029 55.804 56.100 -0.446 0.000 0.904 519 R CB 1.116 31.419 30.300 0.003 0.000 1.236 519 R HN 2.175 nan 8.270 nan 0.000 0.466 520 G N 0.758 109.353 108.800 -0.342 0.000 2.175 520 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.265 520 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.265 520 G C 0.508 175.404 174.900 -0.007 0.000 0.979 520 G CA 0.757 45.769 45.100 -0.147 0.000 0.663 520 G HN 0.443 nan 8.290 nan 0.000 0.533 521 F N 1.004 120.978 119.950 0.040 0.000 2.269 521 F HA 0.314 4.839 4.527 -0.003 0.000 0.301 521 F C 2.184 178.216 175.800 0.388 0.000 1.082 521 F CA 1.511 59.561 58.000 0.083 0.000 1.360 521 F CB -0.905 37.872 39.000 -0.373 0.000 1.041 521 F HN 1.180 nan 8.300 nan 0.000 0.512 522 G N -0.633 108.411 108.800 0.406 0.000 2.685 522 G HA2 -0.160 3.799 3.960 -0.003 0.000 0.387 522 G HA3 -0.160 3.799 3.960 -0.003 0.000 0.387 522 G C 0.600 175.807 174.900 0.512 0.000 1.324 522 G CA -0.226 45.107 45.100 0.388 0.000 0.878 522 G HN 0.130 nan 8.290 nan 0.000 0.527 523 S N -1.136 114.765 115.700 0.334 0.000 2.527 523 S HA 0.242 4.711 4.470 -0.003 0.000 0.227 523 S C 1.071 175.768 174.600 0.161 0.000 1.059 523 S CA 1.136 59.516 58.200 0.299 0.000 0.919 523 S CB 0.527 63.818 63.200 0.151 0.000 0.805 523 S HN 0.964 nan 8.310 nan 0.000 0.500 524 T N 3.732 118.280 114.554 -0.011 0.000 2.752 524 T HA 0.216 4.564 4.350 -0.003 0.000 0.295 524 T C -0.067 174.236 174.700 -0.663 0.000 0.923 524 T CA -0.118 61.855 62.100 -0.212 0.000 1.112 524 T CB 0.441 69.224 68.868 -0.143 0.000 0.884 524 T HN 0.217 nan 8.240 nan 0.000 0.525 525 K N 2.755 122.681 120.400 -0.790 0.000 2.569 525 K HA 0.136 4.454 4.320 -0.003 0.000 0.280 525 K C 0.957 176.784 176.600 -1.289 0.000 0.984 525 K CA 0.369 55.898 56.287 -1.265 0.000 1.064 525 K CB 0.023 32.238 32.500 -0.475 0.000 0.866 525 K HN 0.758 nan 8.250 nan 0.000 0.492 526 G N 1.583 109.164 108.800 -2.031 0.000 3.414 526 G HA2 0.340 4.299 3.960 -0.003 0.000 0.189 526 G HA3 0.340 4.299 3.960 -0.003 0.000 0.189 526 G C -0.802 173.807 174.900 -0.485 0.000 1.329 526 G CA -0.021 44.464 45.100 -1.024 0.000 0.851 526 G HN 0.634 nan 8.290 nan 0.000 0.671 527 T N -1.102 113.355 114.554 -0.162 0.000 2.956 527 T HA 0.530 4.878 4.350 -0.003 0.000 0.312 527 T C -1.109 173.544 174.700 -0.078 0.000 1.151 527 T CA -0.433 61.593 62.100 -0.123 0.000 1.024 527 T CB 1.497 70.215 68.868 -0.250 0.000 1.140 527 T HN 0.461 nan 8.240 nan 0.000 0.473 528 V N 3.725 123.523 119.914 -0.193 0.000 2.966 528 V HA 0.686 4.804 4.120 -0.003 0.000 0.317 528 V C -1.221 174.608 176.094 -0.442 0.000 1.070 528 V CA -0.800 61.362 62.300 -0.231 0.000 1.008 528 V CB 1.397 33.100 31.823 -0.201 0.000 1.070 528 V HN 0.901 nan 8.190 nan 0.000 0.457 529 Y N 0.645 120.817 120.300 -0.213 0.000 2.421 529 Y HA 0.609 5.157 4.550 -0.003 0.000 0.339 529 Y C -0.794 174.928 175.900 -0.297 0.000 0.996 529 Y CA -0.657 57.364 58.100 -0.131 0.000 1.046 529 Y CB 2.085 40.509 38.460 -0.060 0.000 1.226 529 Y HN 0.487 nan 8.280 nan 0.000 0.445 530 F N 2.767 122.781 119.950 0.107 0.000 2.366 530 F HA 0.536 5.062 4.527 -0.003 0.000 0.357 530 F C 0.865 176.804 175.800 0.231 0.000 1.107 530 F CA 0.052 58.075 58.000 0.039 0.000 1.208 530 F CB 0.887 39.765 39.000 -0.203 0.000 1.464 530 F HN 0.790 nan 8.300 nan 0.000 0.501 531 G N 1.640 110.686 108.800 0.410 0.000 2.866 531 G HA2 -0.329 3.630 3.960 -0.003 0.000 0.274 531 G HA3 -0.329 3.630 3.960 -0.003 0.000 0.274 531 G C 0.874 175.930 174.900 0.260 0.000 1.413 531 G CA 0.302 45.638 45.100 0.392 0.000 0.997 531 G HN 0.427 nan 8.290 nan 0.000 0.559 532 T N 0.622 115.344 114.554 0.281 0.000 3.040 532 T HA 0.437 4.785 4.350 -0.003 0.000 0.266 532 T C 0.577 175.465 174.700 0.312 0.000 1.005 532 T CA 1.133 63.370 62.100 0.229 0.000 0.906 532 T CB 0.613 69.574 68.868 0.154 0.000 1.082 532 T HN 0.797 nan 8.240 nan 0.000 0.531 533 T N 3.001 117.743 114.554 0.313 0.000 2.771 533 T HA 0.657 5.005 4.350 -0.003 0.000 0.291 533 T C 0.100 174.895 174.700 0.158 0.000 0.954 533 T CA -0.638 61.588 62.100 0.210 0.000 1.045 533 T CB 1.223 70.171 68.868 0.132 0.000 0.917 533 T HN 0.341 nan 8.240 nan 0.000 0.484 534 A N 3.447 126.273 122.820 0.010 0.000 2.260 534 A HA 0.625 4.944 4.320 -0.003 0.000 0.308 534 A C -0.032 177.451 177.584 -0.167 0.000 1.254 534 A CA -0.710 51.154 52.037 -0.287 0.000 0.874 534 A CB 0.276 19.116 19.000 -0.267 0.000 1.153 534 A HN 0.741 nan 8.150 nan 0.000 0.527 535 V N 3.020 122.822 119.914 -0.186 0.000 2.370 535 V HA 0.711 4.830 4.120 -0.003 0.000 0.283 535 V C 0.162 176.192 176.094 -0.107 0.000 1.023 535 V CA -0.286 61.967 62.300 -0.080 0.000 0.857 535 V CB 0.665 32.504 31.823 0.026 0.000 0.985 535 V HN 1.016 nan 8.190 nan 0.000 0.443 536 T N 0.892 115.396 114.554 -0.084 0.000 2.864 536 T HA 0.880 5.228 4.350 -0.003 0.000 0.299 536 T C 0.409 175.072 174.700 -0.063 0.000 1.166 536 T CA -0.013 62.035 62.100 -0.086 0.000 1.007 536 T CB 1.647 70.451 68.868 -0.106 0.000 1.219 536 T HN 1.611 nan 8.240 nan 0.000 0.506 537 G N 1.065 109.823 108.800 -0.070 0.000 2.527 537 G HA2 0.014 3.972 3.960 -0.003 0.000 0.268 537 G HA3 0.014 3.972 3.960 -0.003 0.000 0.268 537 G C 1.160 176.039 174.900 -0.034 0.000 1.175 537 G CA 0.442 45.508 45.100 -0.056 0.000 0.962 537 G HN 1.792 nan 8.290 nan 0.000 0.560 538 A N 0.104 122.907 122.820 -0.028 0.000 2.216 538 A HA 0.436 4.755 4.320 -0.003 0.000 0.214 538 A C 2.768 180.343 177.584 -0.015 0.000 1.160 538 A CA 2.593 54.619 52.037 -0.018 0.000 0.725 538 A CB -0.777 18.211 19.000 -0.019 0.000 0.784 538 A HN 2.221 nan 8.150 nan 0.000 0.472 539 A N 0.035 122.843 122.820 -0.020 0.000 1.968 539 A HA 0.128 4.446 4.320 -0.003 0.000 0.217 539 A C 1.126 178.707 177.584 -0.006 0.000 1.169 539 A CA 0.583 52.608 52.037 -0.021 0.000 0.638 539 A CB -0.350 18.632 19.000 -0.029 0.000 0.812 539 A HN 0.457 nan 8.150 nan 0.000 0.446 540 I N 2.239 122.815 120.570 0.010 0.000 2.270 540 I HA -0.014 4.155 4.170 -0.003 0.000 0.300 540 I C 1.820 177.963 176.117 0.043 0.000 1.186 540 I CA 0.293 61.620 61.300 0.046 0.000 1.431 540 I CB 0.097 38.166 38.000 0.115 0.000 1.485 540 I HN 0.409 nan 8.210 nan 0.000 0.650 541 T N 0.555 115.119 114.554 0.017 0.000 2.802 541 T HA -0.117 4.231 4.350 -0.003 0.000 0.269 541 T C 0.747 175.464 174.700 0.027 0.000 1.062 541 T CA 1.002 63.109 62.100 0.011 0.000 1.133 541 T CB -0.100 68.764 68.868 -0.006 0.000 0.852 541 T HN 0.481 nan 8.240 nan 0.000 0.485 542 S N -0.730 114.998 115.700 0.046 0.000 2.547 542 S HA 0.559 5.027 4.470 -0.003 0.000 0.270 542 S C -2.086 172.597 174.600 0.139 0.000 1.150 542 S CA -1.111 57.130 58.200 0.069 0.000 0.850 542 S CB 2.094 65.303 63.200 0.016 0.000 1.118 542 S HN 0.487 nan 8.310 nan 0.000 0.461 543 W N 3.074 124.358 121.300 -0.028 0.000 3.615 543 W HA 0.494 5.152 4.660 -0.003 0.000 0.319 543 W C -1.900 174.634 176.519 0.025 0.000 1.172 543 W CA -0.467 56.868 57.345 -0.016 0.000 1.240 543 W CB 1.194 30.636 29.460 -0.030 0.000 1.313 543 W HN 1.001 nan 8.180 nan 0.000 0.487 544 E N 2.295 122.441 120.200 -0.090 0.000 2.388 544 E HA 0.133 4.481 4.350 -0.003 0.000 0.281 544 E C -0.396 176.206 176.600 0.004 0.000 1.046 544 E CA -0.569 55.883 56.400 0.087 0.000 0.825 544 E CB 1.660 31.410 29.700 0.082 0.000 1.243 544 E HN 0.195 nan 8.360 nan 0.000 0.438 545 D N 1.070 121.521 120.400 0.085 0.000 2.347 545 D HA -0.290 4.349 4.640 -0.003 0.000 0.189 545 D C 1.615 177.800 176.300 -0.192 0.000 1.020 545 D CA 3.709 57.706 54.000 -0.004 0.000 0.875 545 D CB 0.141 40.932 40.800 -0.014 0.000 0.928 545 D HN 0.649 nan 8.370 nan 0.000 0.454 546 T N -3.365 111.134 114.554 -0.093 0.000 3.086 546 T HA 0.107 4.456 4.350 -0.003 0.000 0.250 546 T C 0.511 175.245 174.700 0.057 0.000 1.074 546 T CA -0.332 61.703 62.100 -0.109 0.000 0.988 546 T CB 0.506 69.332 68.868 -0.069 0.000 0.988 546 T HN 0.254 nan 8.240 nan 0.000 0.530 547 Q N -0.030 119.846 119.800 0.127 0.000 2.503 547 Q HA 0.566 4.905 4.340 -0.003 0.000 0.268 547 Q C -2.304 173.601 176.000 -0.159 0.000 0.982 547 Q CA -0.806 55.020 55.803 0.037 0.000 0.907 547 Q CB 1.777 30.497 28.738 -0.029 0.000 1.467 547 Q HN 0.419 nan 8.270 nan 0.000 0.394 548 I N 2.792 123.167 120.570 -0.324 0.000 2.582 548 I HA 0.454 4.623 4.170 -0.003 0.000 0.292 548 I C -0.802 175.164 176.117 -0.251 0.000 1.066 548 I CA -0.972 60.070 61.300 -0.430 0.000 1.053 548 I CB 2.017 39.538 38.000 -0.799 0.000 1.241 548 I HN 0.314 nan 8.210 nan 0.000 0.421 549 K N 5.538 125.853 120.400 -0.142 0.000 2.316 549 K HA 0.581 4.899 4.320 -0.003 0.000 0.267 549 K C -0.972 175.587 176.600 -0.068 0.000 1.025 549 K CA -0.441 55.789 56.287 -0.096 0.000 0.896 549 K CB 2.303 34.769 32.500 -0.056 0.000 1.124 549 K HN 0.354 nan 8.250 nan 0.000 0.451 550 V N 1.956 121.825 119.914 -0.075 0.000 3.046 550 V HA 0.505 4.623 4.120 -0.003 0.000 0.316 550 V C -0.640 175.441 176.094 -0.020 0.000 1.104 550 V CA -0.474 61.808 62.300 -0.030 0.000 1.006 550 V CB 2.472 34.284 31.823 -0.019 0.000 1.058 550 V HN 0.777 nan 8.190 nan 0.000 0.440 551 T N 4.757 119.299 114.554 -0.020 0.000 2.829 551 T HA 0.531 4.879 4.350 -0.003 0.000 0.282 551 T C -0.048 174.559 174.700 -0.155 0.000 0.990 551 T CA -0.131 61.930 62.100 -0.066 0.000 1.028 551 T CB 0.938 69.768 68.868 -0.062 0.000 0.951 551 T HN 0.493 nan 8.240 nan 0.000 0.460 552 I N 6.209 126.631 120.570 -0.248 0.000 2.494 552 I HA 0.131 4.300 4.170 -0.003 0.000 0.289 552 I C -1.586 174.268 176.117 -0.439 0.000 1.106 552 I CA -1.746 59.229 61.300 -0.542 0.000 1.369 552 I CB 0.308 38.111 38.000 -0.329 0.000 1.410 552 I HN 0.317 nan 8.210 nan 0.000 0.523 553 P HA 0.016 nan 4.420 nan 0.000 0.269 553 P C -0.375 176.766 177.300 -0.264 0.000 1.215 553 P CA -0.343 62.572 63.100 -0.309 0.000 0.780 553 P CB 0.610 32.150 31.700 -0.266 0.000 0.898 554 S N 0.576 116.183 115.700 -0.155 0.000 4.053 554 S HA 0.198 4.666 4.470 -0.003 0.000 0.184 554 S C 0.803 175.349 174.600 -0.090 0.000 1.324 554 S CA -0.576 57.558 58.200 -0.109 0.000 0.956 554 S CB -1.412 61.749 63.200 -0.065 0.000 1.503 554 S HN 0.368 nan 8.310 nan 0.000 0.440 555 V N -1.224 118.609 119.914 -0.135 0.000 3.193 555 V HA 0.908 5.027 4.120 -0.003 0.000 0.320 555 V C 0.398 176.489 176.094 -0.006 0.000 1.112 555 V CA -1.679 60.576 62.300 -0.076 0.000 1.026 555 V CB 0.702 32.438 31.823 -0.145 0.000 1.128 555 V HN 0.416 nan 8.190 nan 0.000 0.452 556 A N 1.229 124.115 122.820 0.110 0.000 2.548 556 A HA 0.575 4.893 4.320 -0.003 0.000 0.247 556 A C 0.866 178.597 177.584 0.244 0.000 1.067 556 A CA 0.331 52.465 52.037 0.163 0.000 0.757 556 A CB -0.814 18.294 19.000 0.181 0.000 0.996 556 A HN 2.203 nan 8.150 nan 0.000 0.504 557 A N 2.602 125.515 122.820 0.154 0.000 2.567 557 A HA 0.525 4.843 4.320 -0.003 0.000 0.240 557 A C 1.004 178.711 177.584 0.205 0.000 1.053 557 A CA 0.925 53.058 52.037 0.160 0.000 0.755 557 A CB -0.442 18.606 19.000 0.079 0.000 0.978 557 A HN 2.534 nan 8.150 nan 0.000 0.507 558 G N 1.151 110.116 108.800 0.275 0.000 2.321 558 G HA2 0.350 4.309 3.960 -0.003 0.000 0.296 558 G HA3 0.350 4.309 3.960 -0.003 0.000 0.296 558 G C -1.134 173.862 174.900 0.160 0.000 1.287 558 G CA -0.517 44.662 45.100 0.132 0.000 0.846 558 G HN 0.938 nan 8.290 nan 0.000 0.508 559 N N -0.451 118.234 118.700 -0.024 0.000 2.419 559 N HA 0.646 5.385 4.740 -0.003 0.000 0.264 559 N C -1.014 174.460 175.510 -0.060 0.000 1.031 559 N CA -0.226 52.843 53.050 0.033 0.000 0.951 559 N CB 0.515 38.996 38.487 -0.010 0.000 1.101 559 N HN 0.431 nan 8.380 nan 0.000 0.488 560 Y N 1.254 121.666 120.300 0.187 0.000 2.650 560 Y HA 0.743 5.291 4.550 -0.003 0.000 0.331 560 Y C -0.090 175.947 175.900 0.227 0.000 1.082 560 Y CA -1.165 57.076 58.100 0.234 0.000 1.171 560 Y CB 1.833 40.509 38.460 0.361 0.000 1.326 560 Y HN 0.519 nan 8.280 nan 0.000 0.513 561 A N 0.721 123.754 122.820 0.355 0.000 2.353 561 A HA 0.667 4.985 4.320 -0.003 0.000 0.299 561 A C -1.625 176.028 177.584 0.115 0.000 1.089 561 A CA -0.640 51.521 52.037 0.207 0.000 0.736 561 A CB 0.552 19.622 19.000 0.117 0.000 1.195 561 A HN 0.452 nan 8.150 nan 0.000 0.447 562 V N 2.480 122.406 119.914 0.019 0.000 2.530 562 V HA 0.400 4.519 4.120 -0.003 0.000 0.282 562 V C 0.302 176.340 176.094 -0.095 0.000 1.048 562 V CA 0.026 62.191 62.300 -0.226 0.000 0.997 562 V CB 1.052 32.611 31.823 -0.439 0.000 0.987 562 V HN 0.910 nan 8.190 nan 0.000 0.477 563 K N 3.163 123.517 120.400 -0.078 0.000 2.375 563 K HA 0.795 5.113 4.320 -0.003 0.000 0.249 563 K C -1.521 175.120 176.600 0.068 0.000 0.942 563 K CA -0.480 55.819 56.287 0.021 0.000 0.806 563 K CB 2.268 34.777 32.500 0.016 0.000 1.227 563 K HN 0.420 nan 8.250 nan 0.000 0.430 564 V N 1.459 121.420 119.914 0.078 0.000 2.914 564 V HA 0.884 5.002 4.120 -0.003 0.000 0.314 564 V C -1.547 174.682 176.094 0.225 0.000 1.084 564 V CA -0.531 61.819 62.300 0.083 0.000 0.963 564 V CB 1.956 33.682 31.823 -0.160 0.000 1.025 564 V HN 0.871 nan 8.190 nan 0.000 0.432 565 A N 4.437 127.435 122.820 0.297 0.000 2.545 565 A HA 0.841 5.159 4.320 -0.003 0.000 0.300 565 A C -0.255 177.487 177.584 0.264 0.000 1.252 565 A CA 0.055 52.256 52.037 0.274 0.000 0.753 565 A CB 0.906 20.089 19.000 0.305 0.000 1.144 565 A HN 1.538 nan 8.150 nan 0.000 0.457 566 A N 1.872 124.871 122.820 0.298 0.000 2.366 566 A HA 0.622 4.940 4.320 -0.003 0.000 0.322 566 A C 0.701 178.374 177.584 0.149 0.000 1.397 566 A CA 0.132 52.344 52.037 0.290 0.000 0.984 566 A CB -0.626 18.630 19.000 0.425 0.000 1.149 566 A HN 1.879 nan 8.150 nan 0.000 0.540 567 S N 1.498 117.240 115.700 0.070 0.000 3.886 567 S HA -0.104 4.364 4.470 -0.003 0.000 0.398 567 S C 1.505 176.135 174.600 0.049 0.000 0.931 567 S CA 1.308 59.532 58.200 0.040 0.000 1.217 567 S CB -1.565 61.661 63.200 0.043 0.000 0.874 567 S HN 2.725 nan 8.310 nan 0.000 0.521 568 G N -1.116 107.717 108.800 0.054 0.000 2.451 568 G HA2 -0.382 3.576 3.960 -0.003 0.000 0.253 568 G HA3 -0.382 3.576 3.960 -0.003 0.000 0.253 568 G C 0.271 175.210 174.900 0.065 0.000 1.033 568 G CA 0.276 45.411 45.100 0.058 0.000 0.633 568 G HN 1.516 nan 8.290 nan 0.000 0.537 569 V N 2.645 122.602 119.914 0.072 0.000 2.381 569 V HA 0.296 4.415 4.120 -0.003 0.000 0.257 569 V C 0.298 176.448 176.094 0.093 0.000 1.057 569 V CA -0.720 61.621 62.300 0.068 0.000 1.013 569 V CB 0.573 32.434 31.823 0.064 0.000 1.069 569 V HN 0.377 nan 8.190 nan 0.000 0.484 570 N N 3.217 121.958 118.700 0.069 0.000 2.530 570 N HA 0.230 4.968 4.740 -0.003 0.000 0.273 570 N C 0.553 176.105 175.510 0.070 0.000 1.173 570 N CA -0.051 53.044 53.050 0.075 0.000 0.967 570 N CB 1.213 39.702 38.487 0.003 0.000 1.109 570 N HN 0.808 nan 8.380 nan 0.000 0.453 571 S N 1.413 117.173 115.700 0.100 0.000 2.596 571 S HA 0.196 4.664 4.470 -0.003 0.000 0.262 571 S C 0.537 175.173 174.600 0.061 0.000 1.218 571 S CA -0.797 57.462 58.200 0.098 0.000 0.998 571 S CB 0.256 63.554 63.200 0.163 0.000 1.060 571 S HN 0.670 nan 8.310 nan 0.000 0.552 572 N N 0.695 119.434 118.700 0.065 0.000 2.327 572 N HA 0.389 5.128 4.740 -0.003 0.000 0.257 572 N C -0.656 174.894 175.510 0.066 0.000 1.281 572 N CA -0.393 52.688 53.050 0.052 0.000 0.942 572 N CB 0.457 38.978 38.487 0.057 0.000 1.199 572 N HN 0.892 nan 8.380 nan 0.000 0.532 573 A N -0.388 122.466 122.820 0.057 0.000 2.318 573 A HA 0.340 4.658 4.320 -0.003 0.000 0.324 573 A C -1.532 176.111 177.584 0.099 0.000 1.170 573 A CA -0.684 51.393 52.037 0.067 0.000 0.810 573 A CB 0.304 19.326 19.000 0.037 0.000 1.198 573 A HN 0.696 nan 8.150 nan 0.000 0.484 574 Y N 4.091 124.390 120.300 -0.002 0.000 2.595 574 Y HA 0.153 4.702 4.550 -0.003 0.000 0.347 574 Y C 0.552 176.476 175.900 0.040 0.000 1.025 574 Y CA -0.305 57.801 58.100 0.010 0.000 1.295 574 Y CB 0.107 38.547 38.460 -0.032 0.000 1.147 574 Y HN 0.732 nan 8.280 nan 0.000 0.515 575 N N 3.634 122.316 118.700 -0.030 0.000 2.326 575 N HA -0.034 4.704 4.740 -0.003 0.000 0.239 575 N C -0.306 175.241 175.510 0.061 0.000 1.301 575 N CA 0.486 53.551 53.050 0.024 0.000 0.909 575 N CB 0.237 38.708 38.487 -0.028 0.000 1.156 575 N HN 0.742 nan 8.380 nan 0.000 0.462 576 N N -0.958 117.805 118.700 0.104 0.000 2.758 576 N HA -0.236 4.502 4.740 -0.003 0.000 0.248 576 N C -1.221 174.401 175.510 0.187 0.000 1.076 576 N CA 0.183 53.298 53.050 0.109 0.000 0.696 576 N CB -1.594 36.914 38.487 0.035 0.000 0.979 576 N HN 0.397 nan 8.380 nan 0.000 0.550 577 F N 1.358 121.416 119.950 0.180 0.000 2.424 577 F HA 0.320 4.845 4.527 -0.003 0.000 0.356 577 F C 0.497 176.425 175.800 0.213 0.000 1.110 577 F CA -0.284 57.839 58.000 0.206 0.000 1.161 577 F CB 0.815 39.979 39.000 0.273 0.000 1.115 577 F HN -0.046 nan 8.300 nan 0.000 0.507 578 T N 8.018 122.264 114.554 -0.514 0.000 2.729 578 T HA 0.415 4.764 4.350 -0.003 0.000 0.296 578 T C 0.202 174.690 174.700 -0.354 0.000 0.928 578 T CA -0.219 61.715 62.100 -0.276 0.000 1.045 578 T CB 0.123 68.866 68.868 -0.207 0.000 0.902 578 T HN 0.362 nan 8.240 nan 0.000 0.500 579 I N 4.636 125.213 120.570 0.010 0.000 2.336 579 I HA 0.329 4.498 4.170 -0.003 0.000 0.292 579 I C 0.388 176.521 176.117 0.027 0.000 0.991 579 I CA -0.708 60.614 61.300 0.036 0.000 1.227 579 I CB 1.145 39.188 38.000 0.071 0.000 1.366 579 I HN 0.384 nan 8.210 nan 0.000 0.466 580 L N 4.758 125.974 121.223 -0.011 0.000 2.543 580 L HA 0.279 4.618 4.340 -0.003 0.000 0.231 580 L C 1.407 178.283 176.870 0.011 0.000 1.194 580 L CA -0.158 54.680 54.840 -0.002 0.000 0.823 580 L CB 0.570 42.622 42.059 -0.012 0.000 1.374 580 L HN 0.566 nan 8.230 nan 0.000 0.507 581 T N -0.844 113.718 114.554 0.013 0.000 3.057 581 T HA 0.302 4.650 4.350 -0.003 0.000 0.254 581 T C 0.402 175.108 174.700 0.010 0.000 1.094 581 T CA 0.597 62.708 62.100 0.018 0.000 1.088 581 T CB 0.476 69.359 68.868 0.024 0.000 0.934 581 T HN 0.865 nan 8.240 nan 0.000 0.497 582 G N 0.646 109.450 108.800 0.007 0.000 2.332 582 G HA2 0.099 4.057 3.960 -0.003 0.000 0.265 582 G HA3 0.099 4.057 3.960 -0.003 0.000 0.265 582 G C -2.116 172.788 174.900 0.007 0.000 1.329 582 G CA -0.993 44.110 45.100 0.005 0.000 0.949 582 G HN 0.074 nan 8.290 nan 0.000 0.476 583 D N 1.311 121.716 120.400 0.009 0.000 2.472 583 D HA 0.256 4.895 4.640 -0.003 0.000 0.237 583 D C 0.161 176.471 176.300 0.017 0.000 1.141 583 D CA 0.663 54.668 54.000 0.009 0.000 0.875 583 D CB 0.700 41.507 40.800 0.011 0.000 1.192 583 D HN 0.308 nan 8.370 nan 0.000 0.450 584 Q N 0.492 120.298 119.800 0.011 0.000 2.257 584 Q HA 0.594 4.933 4.340 -0.003 0.000 0.262 584 Q C -0.041 175.982 176.000 0.039 0.000 0.997 584 Q CA -0.975 54.841 55.803 0.022 0.000 0.873 584 Q CB 2.361 31.097 28.738 -0.003 0.000 1.312 584 Q HN 0.380 nan 8.270 nan 0.000 0.450 585 V N -2.260 117.695 119.914 0.070 0.000 3.078 585 V HA 0.721 4.840 4.120 -0.003 0.000 0.311 585 V C -0.550 175.622 176.094 0.131 0.000 1.138 585 V CA -0.833 61.529 62.300 0.102 0.000 1.007 585 V CB 2.067 33.959 31.823 0.115 0.000 1.045 585 V HN 0.694 nan 8.190 nan 0.000 0.432 586 T N 2.277 116.936 114.554 0.175 0.000 2.749 586 T HA 0.659 5.007 4.350 -0.003 0.000 0.287 586 T C -0.376 174.438 174.700 0.191 0.000 0.970 586 T CA -0.314 61.916 62.100 0.217 0.000 0.980 586 T CB 1.121 70.181 68.868 0.320 0.000 0.924 586 T HN 0.760 nan 8.240 nan 0.000 0.456 587 V N 4.214 124.225 119.914 0.162 0.000 2.384 587 V HA 0.448 4.566 4.120 -0.003 0.000 0.287 587 V C 0.368 176.478 176.094 0.026 0.000 1.020 587 V CA -1.044 61.247 62.300 -0.016 0.000 0.850 587 V CB 1.396 33.076 31.823 -0.238 0.000 0.987 587 V HN 0.749 nan 8.190 nan 0.000 0.436 588 R N 4.271 124.763 120.500 -0.013 0.000 2.210 588 R HA 0.407 4.745 4.340 -0.003 0.000 0.338 588 R C -1.228 175.074 176.300 0.003 0.000 1.062 588 R CA -0.319 55.867 56.100 0.143 0.000 0.902 588 R CB 0.262 30.665 30.300 0.172 0.000 1.050 588 R HN 0.495 nan 8.270 nan 0.000 0.461 589 F N 4.142 124.144 119.950 0.086 0.000 2.410 589 F HA 0.304 4.830 4.527 -0.003 0.000 0.348 589 F C -0.050 175.864 175.800 0.189 0.000 1.106 589 F CA -0.430 57.619 58.000 0.082 0.000 1.163 589 F CB 1.689 40.737 39.000 0.081 0.000 1.129 589 F HN 0.112 nan 8.300 nan 0.000 0.516 590 V N 4.422 124.484 119.914 0.247 0.000 2.577 590 V HA 0.557 4.676 4.120 -0.003 0.000 0.303 590 V C -0.839 175.288 176.094 0.055 0.000 1.042 590 V CA -0.879 61.468 62.300 0.078 0.000 0.872 590 V CB 1.710 33.423 31.823 -0.183 0.000 0.998 590 V HN 0.546 nan 8.190 nan 0.000 0.423 591 V N 5.049 124.916 119.914 -0.078 0.000 2.604 591 V HA 0.658 4.777 4.120 -0.003 0.000 0.305 591 V C -0.696 175.365 176.094 -0.056 0.000 1.043 591 V CA -0.369 61.788 62.300 -0.238 0.000 0.888 591 V CB 2.101 33.327 31.823 -0.996 0.000 0.995 591 V HN 0.968 nan 8.190 nan 0.000 0.429 592 N N 4.231 122.937 118.700 0.011 0.000 2.432 592 N HA 0.466 5.204 4.740 -0.003 0.000 0.292 592 N C -0.284 175.271 175.510 0.075 0.000 1.193 592 N CA -0.479 52.600 53.050 0.049 0.000 0.878 592 N CB 1.234 39.749 38.487 0.047 0.000 1.252 592 N HN 0.763 nan 8.380 nan 0.000 0.520 593 N N -0.983 117.734 118.700 0.029 0.000 2.725 593 N HA -0.179 4.560 4.740 -0.003 0.000 0.249 593 N C -0.732 174.732 175.510 -0.077 0.000 1.103 593 N CA 0.581 53.628 53.050 -0.005 0.000 0.707 593 N CB -1.423 37.105 38.487 0.068 0.000 1.043 593 N HN 0.659 nan 8.380 nan 0.000 0.553 594 A N 0.020 122.761 122.820 -0.130 0.000 2.923 594 A HA 0.428 4.746 4.320 -0.003 0.000 0.306 594 A C 0.442 177.829 177.584 -0.329 0.000 1.542 594 A CA -0.167 51.601 52.037 -0.449 0.000 1.225 594 A CB 0.219 18.862 19.000 -0.595 0.000 1.147 594 A HN 0.149 nan 8.150 nan 0.000 0.542 595 S N 2.083 117.587 115.700 -0.328 0.000 2.422 595 S HA 0.374 4.843 4.470 -0.003 0.000 0.283 595 S C 0.885 175.458 174.600 -0.045 0.000 1.163 595 S CA -0.148 57.996 58.200 -0.093 0.000 1.054 595 S CB 0.258 63.415 63.200 -0.072 0.000 0.967 595 S HN 0.825 nan 8.310 nan 0.000 0.499 596 T N 0.930 115.605 114.554 0.202 0.000 2.927 596 T HA 0.525 4.873 4.350 -0.003 0.000 0.281 596 T C 0.513 175.269 174.700 0.092 0.000 0.998 596 T CA -0.764 61.369 62.100 0.055 0.000 1.019 596 T CB 1.380 70.276 68.868 0.046 0.000 1.061 596 T HN 0.375 nan 8.240 nan 0.000 0.518 597 T N 0.210 114.784 114.554 0.033 0.000 2.849 597 T HA 0.421 4.769 4.350 -0.003 0.000 0.276 597 T C -0.198 174.519 174.700 0.029 0.000 0.971 597 T CA -0.869 61.252 62.100 0.034 0.000 0.949 597 T CB 0.314 69.196 68.868 0.024 0.000 1.093 597 T HN 0.616 nan 8.240 nan 0.000 0.545 598 L N 2.411 123.645 121.223 0.019 0.000 2.534 598 L HA 0.428 4.766 4.340 -0.003 0.000 0.271 598 L C 1.294 178.178 176.870 0.024 0.000 1.178 598 L CA 1.651 56.497 54.840 0.011 0.000 0.907 598 L CB -0.423 41.640 42.059 0.007 0.000 1.164 598 L HN 0.963 nan 8.230 nan 0.000 0.482 599 G N 2.780 111.598 108.800 0.030 0.000 2.143 599 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.249 599 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.249 599 G C 0.252 175.186 174.900 0.057 0.000 0.981 599 G CA 0.439 45.566 45.100 0.045 0.000 0.665 599 G HN 0.800 nan 8.290 nan 0.000 0.528 600 Q N -0.382 119.449 119.800 0.052 0.000 2.205 600 Q HA 0.679 5.017 4.340 -0.003 0.000 0.249 600 Q C 0.053 176.066 176.000 0.021 0.000 0.948 600 Q CA -0.583 55.243 55.803 0.038 0.000 0.895 600 Q CB 0.670 29.410 28.738 0.003 0.000 1.249 600 Q HN 0.448 nan 8.270 nan 0.000 0.458 601 N N 0.531 119.207 118.700 -0.040 0.000 2.647 601 N HA 0.516 5.255 4.740 -0.003 0.000 0.266 601 N C -1.918 173.285 175.510 -0.511 0.000 1.373 601 N CA -0.572 52.334 53.050 -0.240 0.000 0.807 601 N CB 1.349 39.719 38.487 -0.195 0.000 1.513 601 N HN 0.290 nan 8.380 nan 0.000 0.505 602 L N 1.671 122.355 121.223 -0.897 0.000 2.329 602 L HA 0.564 4.902 4.340 -0.003 0.000 0.279 602 L C -1.336 174.885 176.870 -1.083 0.000 1.014 602 L CA -0.341 54.004 54.840 -0.826 0.000 0.814 602 L CB 0.799 42.354 42.059 -0.841 0.000 1.257 602 L HN 0.533 nan 8.230 nan 0.000 0.424 603 Y N 2.390 122.287 120.300 -0.673 0.000 2.602 603 Y HA 0.695 5.244 4.550 -0.003 0.000 0.342 603 Y C -0.667 174.821 175.900 -0.686 0.000 1.029 603 Y CA -1.039 56.574 58.100 -0.811 0.000 1.080 603 Y CB 1.745 39.424 38.460 -1.301 0.000 1.284 603 Y HN 0.285 nan 8.280 nan 0.000 0.485 604 L N 1.060 122.005 121.223 -0.463 0.000 2.334 604 L HA 0.846 5.184 4.340 -0.003 0.000 0.273 604 L C -0.438 176.251 176.870 -0.300 0.000 1.013 604 L CA -0.086 54.416 54.840 -0.563 0.000 0.816 604 L CB 1.995 43.587 42.059 -0.778 0.000 1.278 604 L HN 0.753 nan 8.230 nan 0.000 0.431 605 T N 2.285 116.717 114.554 -0.203 0.000 3.047 605 T HA 0.782 5.131 4.350 -0.003 0.000 0.340 605 T C -0.817 173.660 174.700 -0.372 0.000 1.421 605 T CA 0.124 62.154 62.100 -0.117 0.000 1.090 605 T CB 1.016 70.011 68.868 0.212 0.000 1.292 605 T HN 1.013 nan 8.240 nan 0.000 0.480 606 G N 1.978 110.384 108.800 -0.656 0.000 2.749 606 G HA2 0.426 4.384 3.960 -0.003 0.000 0.300 606 G HA3 0.426 4.384 3.960 -0.003 0.000 0.300 606 G C 0.129 174.329 174.900 -1.167 0.000 1.352 606 G CA -0.371 44.096 45.100 -1.053 0.000 0.789 606 G HN 0.769 nan 8.290 nan 0.000 0.509 607 N N -0.664 117.590 118.700 -0.743 0.000 2.485 607 N HA 0.020 4.758 4.740 -0.003 0.000 0.199 607 N C 0.376 175.813 175.510 -0.121 0.000 1.236 607 N CA 0.659 53.522 53.050 -0.312 0.000 0.852 607 N CB -0.040 38.502 38.487 0.092 0.000 1.018 607 N HN 0.897 nan 8.380 nan 0.000 0.457 608 V N -5.445 114.377 119.914 -0.152 0.000 3.007 608 V HA 0.799 4.918 4.120 -0.003 0.000 0.311 608 V C 1.157 177.209 176.094 -0.070 0.000 1.120 608 V CA -0.643 61.622 62.300 -0.058 0.000 0.980 608 V CB 1.121 32.932 31.823 -0.019 0.000 1.033 608 V HN -0.047 nan 8.190 nan 0.000 0.429 609 A N 0.880 123.686 122.820 -0.024 0.000 1.917 609 A HA -0.149 4.170 4.320 -0.003 0.000 0.219 609 A C 1.695 179.255 177.584 -0.041 0.000 1.182 609 A CA 2.380 54.406 52.037 -0.020 0.000 0.633 609 A CB -0.898 18.111 19.000 0.015 0.000 0.819 609 A HN 1.099 nan 8.150 nan 0.000 0.448 610 E N -0.245 119.934 120.200 -0.035 0.000 2.171 610 E HA -0.148 4.200 4.350 -0.003 0.000 0.197 610 E C 1.500 178.049 176.600 -0.086 0.000 0.997 610 E CA 1.130 57.504 56.400 -0.043 0.000 0.810 610 E CB -0.250 29.440 29.700 -0.018 0.000 0.738 610 E HN 0.659 nan 8.360 nan 0.000 0.467 611 L N -1.534 119.614 121.223 -0.124 0.000 2.607 611 L HA 0.265 4.604 4.340 -0.003 0.000 0.228 611 L C 1.058 177.829 176.870 -0.165 0.000 1.123 611 L CA 0.302 55.025 54.840 -0.194 0.000 0.890 611 L CB 0.245 42.142 42.059 -0.269 0.000 1.103 611 L HN 0.347 nan 8.230 nan 0.000 0.468 612 G N -0.042 108.692 108.800 -0.109 0.000 2.144 612 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.218 612 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.218 612 G C 0.216 175.097 174.900 -0.032 0.000 0.988 612 G CA -0.155 44.912 45.100 -0.056 0.000 0.659 612 G HN 0.365 nan 8.290 nan 0.000 0.522 613 N N -0.744 117.902 118.700 -0.089 0.000 2.669 613 N HA -0.208 4.530 4.740 -0.003 0.000 0.266 613 N C 0.756 176.335 175.510 0.114 0.000 1.024 613 N CA 1.747 54.768 53.050 -0.049 0.000 0.766 613 N CB -1.549 36.956 38.487 0.030 0.000 0.898 613 N HN 1.146 nan 8.380 nan 0.000 0.548 614 W N -1.945 119.421 121.300 0.110 0.000 5.538 614 W HA -0.292 4.366 4.660 -0.003 0.000 0.377 614 W C 0.665 177.303 176.519 0.198 0.000 1.406 614 W CA 0.683 58.130 57.345 0.170 0.000 0.940 614 W CB -2.045 27.464 29.460 0.082 0.000 2.536 614 W HN 0.442 nan 8.180 nan 0.000 1.504 615 S N -1.341 114.552 115.700 0.323 0.000 2.681 615 S HA 0.751 5.220 4.470 -0.003 0.000 0.299 615 S C 0.735 175.418 174.600 0.138 0.000 1.113 615 S CA -0.147 58.177 58.200 0.207 0.000 1.013 615 S CB 1.948 65.211 63.200 0.105 0.000 1.076 615 S HN 0.314 nan 8.310 nan 0.000 0.534 616 T N -2.158 112.382 114.554 -0.024 0.000 3.132 616 T HA 0.441 4.789 4.350 -0.003 0.000 0.274 616 T C 0.921 175.594 174.700 -0.044 0.000 1.011 616 T CA 0.001 61.982 62.100 -0.197 0.000 0.899 616 T CB -0.362 68.147 68.868 -0.597 0.000 1.089 616 T HN 0.823 nan 8.240 nan 0.000 0.543 617 G N 1.931 110.723 108.800 -0.013 0.000 2.580 617 G HA2 0.326 4.284 3.960 -0.003 0.000 0.225 617 G HA3 0.326 4.284 3.960 -0.003 0.000 0.225 617 G C 1.256 176.130 174.900 -0.044 0.000 1.521 617 G CA 0.189 45.270 45.100 -0.032 0.000 1.068 617 G HN 0.429 nan 8.290 nan 0.000 0.564 618 S N -1.254 114.427 115.700 -0.032 0.000 2.496 618 S HA -0.074 4.394 4.470 -0.003 0.000 0.224 618 S C 1.982 176.567 174.600 -0.025 0.000 0.996 618 S CA 1.521 59.703 58.200 -0.030 0.000 0.927 618 S CB -0.478 62.710 63.200 -0.020 0.000 0.774 618 S HN 0.621 nan 8.310 nan 0.000 0.524 619 T N 0.526 115.069 114.554 -0.019 0.000 3.118 619 T HA 0.460 4.808 4.350 -0.003 0.000 0.260 619 T C 0.798 175.481 174.700 -0.027 0.000 1.139 619 T CA 0.406 62.494 62.100 -0.020 0.000 1.085 619 T CB -0.377 68.485 68.868 -0.010 0.000 0.934 619 T HN 0.572 nan 8.240 nan 0.000 0.518 620 A N 1.741 124.553 122.820 -0.012 0.000 2.304 620 A HA 0.589 4.908 4.320 -0.003 0.000 0.271 620 A C 0.317 177.850 177.584 -0.086 0.000 1.091 620 A CA -0.743 51.288 52.037 -0.010 0.000 0.812 620 A CB 0.166 19.226 19.000 0.101 0.000 1.056 620 A HN 0.302 nan 8.150 nan 0.000 0.489 621 I N 1.007 121.465 120.570 -0.186 0.000 2.519 621 I HA 0.584 4.753 4.170 -0.003 0.000 0.287 621 I C 1.032 176.889 176.117 -0.434 0.000 1.047 621 I CA 1.167 62.252 61.300 -0.357 0.000 1.381 621 I CB -0.011 37.700 38.000 -0.480 0.000 1.417 621 I HN 1.123 nan 8.210 nan 0.000 0.540 622 G N 7.332 115.716 108.800 -0.693 0.000 2.343 622 G HA2 0.005 3.963 3.960 -0.003 0.000 0.562 622 G HA3 0.005 3.963 3.960 -0.003 0.000 0.562 622 G C -3.028 171.707 174.900 -0.275 0.000 1.269 622 G CA -1.019 43.667 45.100 -0.690 0.000 1.011 622 G HN 0.499 nan 8.290 nan 0.000 0.498 623 P HA 0.491 nan 4.420 nan 0.000 0.269 623 P C 0.399 177.494 177.300 -0.341 0.000 1.209 623 P CA 0.748 63.539 63.100 -0.514 0.000 0.776 623 P CB 0.853 32.424 31.700 -0.215 0.000 0.876 624 A N 2.783 125.451 122.820 -0.253 0.000 2.346 624 A HA 0.452 4.770 4.320 -0.003 0.000 0.252 624 A C -0.025 177.624 177.584 0.108 0.000 1.089 624 A CA -0.196 51.873 52.037 0.054 0.000 0.797 624 A CB -0.312 18.842 19.000 0.257 0.000 1.047 624 A HN 0.396 nan 8.150 nan 0.000 0.494 625 F N 0.476 120.461 119.950 0.059 0.000 2.380 625 F HA 0.454 4.979 4.527 -0.003 0.000 0.319 625 F C 0.998 176.632 175.800 -0.277 0.000 1.113 625 F CA -0.509 57.347 58.000 -0.239 0.000 1.056 625 F CB 0.854 39.475 39.000 -0.631 0.000 1.289 625 F HN 0.623 nan 8.300 nan 0.000 0.515 626 N N -0.273 118.424 118.700 -0.005 0.000 2.657 626 N HA 0.086 4.825 4.740 -0.003 0.000 0.234 626 N C -0.801 174.683 175.510 -0.042 0.000 1.433 626 N CA -0.224 52.730 53.050 -0.161 0.000 1.078 626 N CB -0.033 37.852 38.487 -1.003 0.000 1.508 626 N HN 0.786 nan 8.380 nan 0.000 0.547 627 Q N -0.875 118.999 119.800 0.123 0.000 2.360 627 Q HA 0.216 4.554 4.340 -0.003 0.000 0.178 627 Q C 0.855 176.853 176.000 -0.003 0.000 0.673 627 Q CA 0.206 56.022 55.803 0.022 0.000 0.896 627 Q CB 0.733 29.466 28.738 -0.009 0.000 1.234 627 Q HN 0.088 nan 8.270 nan 0.000 0.416 628 V N 1.942 121.872 119.914 0.026 0.000 2.300 628 V HA -0.117 4.001 4.120 -0.003 0.000 0.233 628 V C 2.182 178.120 176.094 -0.260 0.000 1.052 628 V CA 1.194 63.441 62.300 -0.089 0.000 1.026 628 V CB -0.408 31.390 31.823 -0.041 0.000 0.661 628 V HN 0.287 nan 8.190 nan 0.000 0.470 629 I N -0.690 119.603 120.570 -0.462 0.000 2.286 629 I HA -0.077 4.091 4.170 -0.003 0.000 0.248 629 I C 0.919 176.455 176.117 -0.969 0.000 1.115 629 I CA 1.664 62.460 61.300 -0.839 0.000 1.392 629 I CB -0.928 36.349 38.000 -1.205 0.000 1.065 629 I HN 0.421 nan 8.210 nan 0.000 0.418 630 H N -0.018 118.619 119.070 -0.721 0.000 2.996 630 H HA 0.506 5.060 4.556 -0.003 0.000 0.368 630 H C -0.713 174.544 175.328 -0.119 0.000 1.185 630 H CA -0.616 55.210 56.048 -0.371 0.000 1.160 630 H CB 1.964 31.511 29.762 -0.359 0.000 1.820 630 H HN 0.003 nan 8.280 nan 0.000 0.547 631 Q N 0.285 120.102 119.800 0.028 0.000 2.333 631 Q HA 0.246 4.584 4.340 -0.003 0.000 0.266 631 Q C -0.848 175.132 176.000 -0.034 0.000 1.053 631 Q CA -0.947 54.854 55.803 -0.003 0.000 0.890 631 Q CB 1.577 30.308 28.738 -0.013 0.000 1.337 631 Q HN 0.510 nan 8.270 nan 0.000 0.474 632 Y N 2.624 122.793 120.300 -0.218 0.000 2.497 632 Y HA 0.207 4.755 4.550 -0.003 0.000 0.334 632 Y C -1.520 174.347 175.900 -0.054 0.000 1.199 632 Y CA -1.518 56.442 58.100 -0.233 0.000 1.425 632 Y CB 0.789 39.090 38.460 -0.265 0.000 1.291 632 Y HN 0.500 nan 8.280 nan 0.000 0.562 633 P HA 0.079 nan 4.420 nan 0.000 0.249 633 P C -0.975 176.332 177.300 0.011 0.000 1.593 633 P CA 0.037 62.780 63.100 -0.595 0.000 0.896 633 P CB -0.233 31.039 31.700 -0.713 0.000 1.581 634 T N 0.409 114.955 114.554 -0.013 0.000 2.771 634 T HA 0.362 4.710 4.350 -0.003 0.000 0.281 634 T C -0.661 174.108 174.700 0.115 0.000 0.982 634 T CA -0.149 62.023 62.100 0.120 0.000 0.978 634 T CB 0.843 69.745 68.868 0.056 0.000 0.930 634 T HN 0.043 nan 8.240 nan 0.000 0.447 635 W N 2.674 123.992 121.300 0.030 0.000 2.655 635 W HA 0.692 5.351 4.660 -0.003 0.000 0.358 635 W C -0.684 175.968 176.519 0.222 0.000 1.100 635 W CA -0.998 56.427 57.345 0.134 0.000 1.195 635 W CB 0.845 30.304 29.460 -0.002 0.000 1.403 635 W HN 0.720 nan 8.180 nan 0.000 0.589 636 Y N -0.583 119.907 120.300 0.317 0.000 2.609 636 Y HA 0.729 5.277 4.550 -0.003 0.000 0.336 636 Y C -2.175 173.960 175.900 0.392 0.000 1.129 636 Y CA -2.652 55.612 58.100 0.274 0.000 1.040 636 Y CB 1.278 39.818 38.460 0.134 0.000 1.310 636 Y HN 0.477 nan 8.280 nan 0.000 0.460 637 Y N 1.231 121.689 120.300 0.262 0.000 2.424 637 Y HA 0.392 4.940 4.550 -0.003 0.000 0.323 637 Y C -1.759 174.326 175.900 0.309 0.000 1.174 637 Y CA -1.200 56.977 58.100 0.128 0.000 1.060 637 Y CB 1.634 40.045 38.460 -0.082 0.000 1.314 637 Y HN 0.789 nan 8.280 nan 0.000 0.439 638 D N 4.219 124.793 120.400 0.291 0.000 2.277 638 D HA 0.517 5.155 4.640 -0.003 0.000 0.249 638 D C -0.859 175.708 176.300 0.445 0.000 1.134 638 D CA 0.244 54.481 54.000 0.396 0.000 0.863 638 D CB 1.637 42.668 40.800 0.386 0.000 1.143 638 D HN 0.207 nan 8.370 nan 0.000 0.458 639 V N 1.168 121.328 119.914 0.410 0.000 2.735 639 V HA 0.375 4.494 4.120 -0.003 0.000 0.310 639 V C 0.197 176.426 176.094 0.224 0.000 1.061 639 V CA -0.997 61.478 62.300 0.292 0.000 0.913 639 V CB 2.110 34.021 31.823 0.148 0.000 1.005 639 V HN 0.502 nan 8.190 nan 0.000 0.428 640 S N 2.690 118.478 115.700 0.145 0.000 2.545 640 S HA 0.700 5.168 4.470 -0.003 0.000 0.275 640 S C -0.746 173.901 174.600 0.078 0.000 1.299 640 S CA -0.211 58.045 58.200 0.093 0.000 1.048 640 S CB 1.014 64.235 63.200 0.035 0.000 0.938 640 S HN 0.885 nan 8.310 nan 0.000 0.496 641 V N 6.498 126.463 119.914 0.085 0.000 3.098 641 V HA 0.533 4.651 4.120 -0.003 0.000 0.294 641 V C -2.565 173.576 176.094 0.078 0.000 1.351 641 V CA -2.024 60.323 62.300 0.079 0.000 0.999 641 V CB 2.649 34.547 31.823 0.126 0.000 1.104 641 V HN 0.862 nan 8.190 nan 0.000 0.438 642 P HA 0.084 nan 4.420 nan 0.000 0.263 642 P C -0.509 176.834 177.300 0.071 0.000 1.175 642 P CA 0.426 63.559 63.100 0.055 0.000 0.761 642 P CB 0.515 32.242 31.700 0.045 0.000 0.794 643 A N 3.206 126.060 122.820 0.058 0.000 2.354 643 A HA 0.528 4.846 4.320 -0.003 0.000 0.269 643 A C 1.396 179.006 177.584 0.042 0.000 1.109 643 A CA 0.179 52.251 52.037 0.058 0.000 0.800 643 A CB -0.673 18.356 19.000 0.049 0.000 1.045 643 A HN 0.836 nan 8.150 nan 0.000 0.489 644 G N 0.477 109.297 108.800 0.034 0.000 2.249 644 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.273 644 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.273 644 G C 0.025 174.934 174.900 0.015 0.000 1.036 644 G CA 1.155 46.262 45.100 0.012 0.000 0.824 644 G HN 1.163 nan 8.290 nan 0.000 0.504 645 K N -0.335 120.083 120.400 0.031 0.000 2.324 645 K HA 0.614 4.932 4.320 -0.003 0.000 0.253 645 K C 0.104 176.738 176.600 0.057 0.000 0.932 645 K CA -0.906 55.407 56.287 0.043 0.000 0.799 645 K CB 1.213 33.746 32.500 0.056 0.000 1.154 645 K HN 0.146 nan 8.250 nan 0.000 0.425 646 Q N 4.458 124.293 119.800 0.057 0.000 2.307 646 Q HA 0.278 4.616 4.340 -0.003 0.000 0.261 646 Q C -1.184 174.899 176.000 0.138 0.000 1.051 646 Q CA -0.192 55.660 55.803 0.082 0.000 0.911 646 Q CB 0.397 29.175 28.738 0.066 0.000 1.227 646 Q HN 0.577 nan 8.270 nan 0.000 0.418 647 L N 3.321 124.674 121.223 0.217 0.000 2.331 647 L HA 0.565 4.903 4.340 -0.003 0.000 0.275 647 L C -0.078 177.021 176.870 0.381 0.000 1.022 647 L CA -0.781 54.224 54.840 0.274 0.000 0.812 647 L CB 1.731 43.983 42.059 0.321 0.000 1.257 647 L HN 0.629 nan 8.230 nan 0.000 0.435 648 E N 2.301 122.696 120.200 0.326 0.000 2.238 648 E HA 0.672 5.021 4.350 -0.003 0.000 0.267 648 E C -1.515 175.292 176.600 0.345 0.000 0.887 648 E CA -0.552 56.058 56.400 0.351 0.000 0.769 648 E CB 2.740 32.654 29.700 0.356 0.000 1.187 648 E HN 0.405 nan 8.360 nan 0.000 0.416 649 F N -0.605 119.460 119.950 0.192 0.000 2.713 649 F HA 0.675 5.200 4.527 -0.003 0.000 0.311 649 F C -1.439 174.558 175.800 0.327 0.000 1.141 649 F CA -1.058 56.956 58.000 0.024 0.000 0.939 649 F CB 1.566 40.507 39.000 -0.098 0.000 1.325 649 F HN 0.172 nan 8.300 nan 0.000 0.453 650 K N 1.287 121.920 120.400 0.388 0.000 2.557 650 K HA 0.521 4.839 4.320 -0.003 0.000 0.261 650 K C -2.017 174.788 176.600 0.342 0.000 0.932 650 K CA -0.618 55.950 56.287 0.468 0.000 0.829 650 K CB 2.419 35.348 32.500 0.714 0.000 1.358 650 K HN 0.602 nan 8.250 nan 0.000 0.430 651 F N 2.622 122.741 119.950 0.281 0.000 2.370 651 F HA 0.524 5.049 4.527 -0.003 0.000 0.324 651 F C 0.190 176.184 175.800 0.322 0.000 1.116 651 F CA -0.066 58.068 58.000 0.223 0.000 1.123 651 F CB 0.735 39.891 39.000 0.260 0.000 1.238 651 F HN 0.375 nan 8.300 nan 0.000 0.536 652 F N -0.835 119.317 119.950 0.337 0.000 2.628 652 F HA 0.612 5.138 4.527 -0.003 0.000 0.309 652 F C -1.791 174.114 175.800 0.175 0.000 1.108 652 F CA -1.604 56.486 58.000 0.151 0.000 0.971 652 F CB 1.141 39.789 39.000 -0.586 0.000 1.279 652 F HN 0.256 nan 8.300 nan 0.000 0.441 653 K N 3.331 123.956 120.400 0.375 0.000 2.183 653 K HA 0.490 4.808 4.320 -0.003 0.000 0.274 653 K C -0.960 175.799 176.600 0.265 0.000 1.009 653 K CA -0.928 55.435 56.287 0.127 0.000 0.888 653 K CB 2.037 34.504 32.500 -0.055 0.000 1.078 653 K HN 0.747 nan 8.250 nan 0.000 0.459 654 K N 2.201 122.766 120.400 0.275 0.000 2.426 654 K HA 0.266 4.584 4.320 -0.003 0.000 0.251 654 K C -0.423 176.275 176.600 0.162 0.000 0.941 654 K CA -0.534 55.892 56.287 0.231 0.000 0.808 654 K CB 0.961 33.601 32.500 0.234 0.000 1.265 654 K HN 0.813 nan 8.250 nan 0.000 0.432 655 N N 1.391 120.151 118.700 0.101 0.000 1.900 655 N HA 0.108 4.846 4.740 -0.003 0.000 0.227 655 N C 0.254 175.798 175.510 0.057 0.000 1.411 655 N CA -0.035 53.062 53.050 0.078 0.000 0.780 655 N CB 1.472 39.994 38.487 0.058 0.000 1.082 655 N HN 0.597 nan 8.380 nan 0.000 0.505 656 G N 1.136 109.965 108.800 0.048 0.000 3.111 656 G HA2 0.293 4.251 3.960 -0.003 0.000 0.158 656 G HA3 0.293 4.251 3.960 -0.003 0.000 0.158 656 G C 0.220 175.132 174.900 0.021 0.000 1.161 656 G CA 0.418 45.537 45.100 0.032 0.000 1.025 656 G HN 0.143 nan 8.290 nan 0.000 0.619 657 S N -0.938 114.769 115.700 0.012 0.000 2.478 657 S HA 0.111 4.579 4.470 -0.003 0.000 0.222 657 S C 1.346 175.945 174.600 -0.003 0.000 1.008 657 S CA 1.318 59.516 58.200 -0.003 0.000 0.928 657 S CB -0.156 63.042 63.200 -0.003 0.000 0.781 657 S HN 0.792 nan 8.310 nan 0.000 0.518 658 T N 4.219 118.782 114.554 0.016 0.000 2.736 658 T HA 0.245 4.593 4.350 -0.003 0.000 0.275 658 T C -0.076 174.644 174.700 0.033 0.000 0.962 658 T CA -0.256 61.860 62.100 0.026 0.000 1.214 658 T CB -0.875 68.016 68.868 0.037 0.000 0.904 658 T HN 0.174 nan 8.240 nan 0.000 0.529 659 I N 5.026 125.599 120.570 0.006 0.000 2.566 659 I HA 0.422 4.590 4.170 -0.003 0.000 0.303 659 I C 0.922 177.065 176.117 0.043 0.000 0.983 659 I CA -0.515 60.761 61.300 -0.040 0.000 1.235 659 I CB 1.391 39.225 38.000 -0.276 0.000 1.386 659 I HN 0.725 nan 8.210 nan 0.000 0.494 660 T N 2.138 116.741 114.554 0.083 0.000 3.050 660 T HA 0.440 4.788 4.350 -0.003 0.000 0.310 660 T C -1.161 173.734 174.700 0.325 0.000 0.978 660 T CA -0.589 61.646 62.100 0.226 0.000 1.013 660 T CB 0.293 69.304 68.868 0.238 0.000 1.000 660 T HN 0.364 nan 8.240 nan 0.000 0.447 661 W N 1.972 123.411 121.300 0.231 0.000 2.253 661 W HA 0.535 5.193 4.660 -0.003 0.000 0.348 661 W C 0.978 177.531 176.519 0.057 0.000 1.229 661 W CA -0.767 56.697 57.345 0.199 0.000 1.335 661 W CB 0.548 30.042 29.460 0.057 0.000 1.165 661 W HN 0.678 nan 8.180 nan 0.000 0.631 662 E N 0.593 120.835 120.200 0.070 0.000 2.390 662 E HA 0.147 4.495 4.350 -0.003 0.000 0.261 662 E C -0.117 176.406 176.600 -0.128 0.000 1.076 662 E CA -0.015 56.109 56.400 -0.459 0.000 0.905 662 E CB 0.815 30.244 29.700 -0.451 0.000 0.984 662 E HN 0.271 nan 8.360 nan 0.000 0.427 663 S N 0.170 115.760 115.700 -0.183 0.000 2.686 663 S HA 0.607 5.075 4.470 -0.003 0.000 0.270 663 S C 0.334 174.851 174.600 -0.139 0.000 1.194 663 S CA -0.091 58.049 58.200 -0.100 0.000 0.990 663 S CB 1.231 64.398 63.200 -0.055 0.000 1.029 663 S HN 0.866 nan 8.310 nan 0.000 0.560 664 G N 1.159 109.889 108.800 -0.118 0.000 2.552 664 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.265 664 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.265 664 G C -0.157 174.646 174.900 -0.162 0.000 1.234 664 G CA -0.123 44.897 45.100 -0.133 0.000 0.944 664 G HN 0.859 nan 8.290 nan 0.000 0.568 665 S N 1.141 116.734 115.700 -0.178 0.000 2.601 665 S HA 0.497 4.966 4.470 -0.003 0.000 0.271 665 S C 0.560 175.018 174.600 -0.238 0.000 1.305 665 S CA -0.598 57.497 58.200 -0.175 0.000 1.022 665 S CB 0.931 64.051 63.200 -0.134 0.000 0.940 665 S HN 0.694 nan 8.310 nan 0.000 0.525 666 N N 2.270 120.885 118.700 -0.141 0.000 2.441 666 N HA 0.057 4.795 4.740 -0.003 0.000 0.251 666 N C -0.113 175.277 175.510 -0.201 0.000 1.242 666 N CA 0.336 53.347 53.050 -0.065 0.000 0.898 666 N CB 0.096 38.665 38.487 0.137 0.000 1.100 666 N HN 0.563 nan 8.380 nan 0.000 0.443 667 H N -0.177 118.685 119.070 -0.345 0.000 2.511 667 H HA 0.286 4.840 4.556 -0.003 0.000 0.346 667 H C 0.190 175.295 175.328 -0.372 0.000 1.128 667 H CA -0.004 55.758 56.048 -0.476 0.000 1.342 667 H CB 0.797 29.968 29.762 -0.985 0.000 1.470 667 H HN 0.487 nan 8.280 nan 0.000 0.546 668 T N 0.004 114.641 114.554 0.138 0.000 2.926 668 T HA 0.596 4.944 4.350 -0.003 0.000 0.289 668 T C -0.782 174.281 174.700 0.604 0.000 1.054 668 T CA -0.903 61.403 62.100 0.344 0.000 1.015 668 T CB 2.080 71.074 68.868 0.210 0.000 1.167 668 T HN 0.456 nan 8.240 nan 0.000 0.526 669 F N -0.179 119.981 119.950 0.350 0.000 2.708 669 F HA 0.497 5.023 4.527 -0.003 0.000 0.309 669 F C -1.521 174.373 175.800 0.157 0.000 1.120 669 F CA -0.488 57.661 58.000 0.248 0.000 0.978 669 F CB 1.794 40.941 39.000 0.245 0.000 1.283 669 F HN 0.683 nan 8.300 nan 0.000 0.439 670 T N 3.351 117.520 114.554 -0.641 0.000 2.842 670 T HA 0.395 4.744 4.350 -0.003 0.000 0.308 670 T C -0.357 173.924 174.700 -0.698 0.000 1.041 670 T CA -0.517 61.343 62.100 -0.399 0.000 0.964 670 T CB 0.669 69.386 68.868 -0.252 0.000 0.972 670 T HN 0.733 nan 8.240 nan 0.000 0.460 671 T N 3.327 117.741 114.554 -0.233 0.000 2.903 671 T HA 0.266 4.614 4.350 -0.003 0.000 0.314 671 T C -2.253 172.432 174.700 -0.024 0.000 1.078 671 T CA -1.366 60.751 62.100 0.027 0.000 1.114 671 T CB 0.012 69.001 68.868 0.200 0.000 0.987 671 T HN 0.241 nan 8.240 nan 0.000 0.548 672 P HA 0.240 nan 4.420 nan 0.000 0.272 672 P C 0.277 177.605 177.300 0.048 0.000 1.223 672 P CA -0.497 62.630 63.100 0.044 0.000 0.784 672 P CB 0.564 32.321 31.700 0.095 0.000 0.923 673 A N 1.506 124.344 122.820 0.031 0.000 2.238 673 A HA 0.215 4.533 4.320 -0.003 0.000 0.208 673 A C 0.656 178.265 177.584 0.042 0.000 1.177 673 A CA 0.765 52.820 52.037 0.031 0.000 0.804 673 A CB -0.688 18.323 19.000 0.019 0.000 0.823 673 A HN 0.717 nan 8.150 nan 0.000 0.482 674 S N -4.353 111.381 115.700 0.057 0.000 2.597 674 S HA 0.588 5.056 4.470 -0.003 0.000 0.274 674 S C 0.287 174.940 174.600 0.088 0.000 1.132 674 S CA 0.121 58.361 58.200 0.065 0.000 0.835 674 S CB 0.579 63.810 63.200 0.052 0.000 1.092 674 S HN 2.066 nan 8.310 nan 0.000 0.457 675 G N 1.347 110.212 108.800 0.107 0.000 2.523 675 G HA2 0.144 4.102 3.960 -0.003 0.000 0.271 675 G HA3 0.144 4.102 3.960 -0.003 0.000 0.271 675 G C 0.088 175.089 174.900 0.169 0.000 1.146 675 G CA 0.872 46.056 45.100 0.140 0.000 0.961 675 G HN 2.506 nan 8.290 nan 0.000 0.549 676 T N -2.343 112.310 114.554 0.164 0.000 2.865 676 T HA 0.993 5.341 4.350 -0.003 0.000 0.294 676 T C -0.314 174.471 174.700 0.142 0.000 1.119 676 T CA 0.464 62.669 62.100 0.175 0.000 1.007 676 T CB 1.696 70.688 68.868 0.205 0.000 1.225 676 T HN 2.652 nan 8.240 nan 0.000 0.515 677 A N 0.642 123.536 122.820 0.124 0.000 2.597 677 A HA 0.750 5.069 4.320 -0.003 0.000 0.292 677 A C -0.551 177.029 177.584 -0.007 0.000 1.057 677 A CA -0.977 51.120 52.037 0.100 0.000 0.674 677 A CB 1.085 20.203 19.000 0.198 0.000 1.278 677 A HN 1.022 nan 8.150 nan 0.000 0.416 678 T N 0.227 114.768 114.554 -0.022 0.000 2.918 678 T HA 0.708 5.056 4.350 -0.003 0.000 0.286 678 T C -0.890 173.668 174.700 -0.236 0.000 1.026 678 T CA -0.572 61.459 62.100 -0.115 0.000 1.031 678 T CB 1.675 70.535 68.868 -0.012 0.000 1.046 678 T HN 1.832 nan 8.240 nan 0.000 0.479 679 V N 2.315 122.007 119.914 -0.369 0.000 2.610 679 V HA 0.449 4.567 4.120 -0.003 0.000 0.288 679 V C -0.956 175.052 176.094 -0.143 0.000 1.055 679 V CA -0.348 61.721 62.300 -0.385 0.000 0.902 679 V CB 1.503 32.667 31.823 -1.099 0.000 1.030 679 V HN 1.028 nan 8.190 nan 0.000 0.448 680 T N 6.554 121.111 114.554 0.005 0.000 2.837 680 T HA 0.759 5.108 4.350 -0.003 0.000 0.285 680 T C -0.193 174.593 174.700 0.144 0.000 0.984 680 T CA -0.123 62.014 62.100 0.062 0.000 1.049 680 T CB 1.465 70.357 68.868 0.039 0.000 0.947 680 T HN 1.316 nan 8.240 nan 0.000 0.472 681 V N 0.581 120.592 119.914 0.161 0.000 3.181 681 V HA 0.695 4.813 4.120 -0.003 0.000 0.308 681 V C -1.232 174.948 176.094 0.143 0.000 1.214 681 V CA -1.248 61.174 62.300 0.204 0.000 1.053 681 V CB 2.430 34.397 31.823 0.241 0.000 1.069 681 V HN 0.774 nan 8.190 nan 0.000 0.441 682 N N 1.544 120.360 118.700 0.193 0.000 2.362 682 N HA 0.234 4.973 4.740 -0.003 0.000 0.298 682 N C -0.980 174.665 175.510 0.226 0.000 1.048 682 N CA -0.340 52.812 53.050 0.171 0.000 0.858 682 N CB 2.225 40.797 38.487 0.142 0.000 1.218 682 N HN 1.027 nan 8.380 nan 0.000 0.488 683 W N 3.519 124.839 121.300 0.032 0.000 2.607 683 W HA -0.008 4.650 4.660 -0.003 0.000 0.336 683 W C -0.040 176.543 176.519 0.107 0.000 1.439 683 W CA 0.324 57.700 57.345 0.051 0.000 1.346 683 W CB 0.125 29.560 29.460 -0.041 0.000 1.425 683 W HN 0.558 nan 8.180 nan 0.000 0.565 684 Q N 0.000 119.598 119.800 -0.337 0.000 2.315 684 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 684 Q CA 0.000 55.652 55.803 -0.251 0.000 1.022 684 Q CB 0.000 28.600 28.738 -0.229 0.000 1.108 684 Q HN 0.000 nan 8.270 nan 0.000 0.481