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 1cxf_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIIDFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMNA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGQWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKC DATA SEQUENCE NPAIAYGSTQ ERWINNDVLI YERKFGSNVA VVAVNRNLNA PASISGLVTS DATA SEQUENCE LPQGSYNDVL GGLLNGNTLS VGSGGAASNF TLAAGGTAVW QYTAATATPT DATA SEQUENCE IGHVGPMMAK PGVTITIDGR GFGSSKGTVY FGTTAVSGAD ITSWEDTQIK DATA SEQUENCE VKIPAVAGGN YNIKVANAAG TASNVYDNFE VLSGDQVSVR FVVNNATTAL DATA SEQUENCE GQNVYLTGSV SELGNWDPAK AIGPMYNQVV YQYPNWYYDV SVPAGKTIEF DATA SEQUENCE KFLKKQGSTV TWEGGSNHTF TAPSSGTATI NVNWQP 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.567 177.584 -0.028 0.000 1.274 1 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 1 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 2 P HA 0.283 nan 4.420 nan 0.000 0.276 2 P C 0.206 177.477 177.300 -0.048 0.000 1.261 2 P CA 0.020 63.100 63.100 -0.033 0.000 0.800 2 P CB 0.585 32.262 31.700 -0.038 0.000 1.066 3 D N -0.643 119.737 120.400 -0.034 0.000 2.221 3 D HA -0.160 4.480 4.640 -0.000 0.000 0.204 3 D C 1.078 177.325 176.300 -0.089 0.000 0.982 3 D CA 1.996 55.976 54.000 -0.035 0.000 0.857 3 D CB -1.444 39.380 40.800 0.041 0.000 0.934 3 D HN 0.454 nan 8.370 nan 0.000 0.475 4 T N -2.776 111.717 114.554 -0.102 0.000 3.088 4 T HA 0.023 4.373 4.350 -0.000 0.000 0.259 4 T C 1.172 175.782 174.700 -0.152 0.000 1.122 4 T CA -0.064 61.950 62.100 -0.142 0.000 1.095 4 T CB -0.292 68.495 68.868 -0.136 0.000 0.930 4 T HN 0.060 nan 8.240 nan 0.000 0.508 5 S N 0.677 116.299 115.700 -0.130 0.000 2.561 5 S HA 0.054 4.524 4.470 -0.000 0.000 0.294 5 S C 1.389 175.882 174.600 -0.178 0.000 1.294 5 S CA -0.125 57.995 58.200 -0.133 0.000 1.055 5 S CB 0.862 63.996 63.200 -0.111 0.000 0.819 5 S HN 0.291 nan 8.310 nan 0.000 0.503 6 V N 4.625 124.434 119.914 -0.175 0.000 2.913 6 V HA -0.092 4.028 4.120 -0.000 0.000 0.260 6 V C 2.094 178.028 176.094 -0.266 0.000 1.098 6 V CA 2.381 64.550 62.300 -0.218 0.000 1.121 6 V CB -0.659 31.057 31.823 -0.178 0.000 0.714 6 V HN 1.016 nan 8.190 nan 0.000 0.487 7 S N 0.040 115.607 115.700 -0.221 0.000 2.453 7 S HA -0.055 4.414 4.470 -0.000 0.000 0.231 7 S C 1.296 175.800 174.600 -0.159 0.000 1.005 7 S CA 0.592 58.669 58.200 -0.204 0.000 0.949 7 S CB -0.712 62.401 63.200 -0.145 0.000 0.774 7 S HN 0.630 nan 8.310 nan 0.000 0.510 8 N N 2.934 121.534 118.700 -0.166 0.000 2.416 8 N HA 0.052 4.792 4.740 -0.000 0.000 0.291 8 N C 0.527 175.950 175.510 -0.144 0.000 1.257 8 N CA 0.115 53.080 53.050 -0.142 0.000 1.043 8 N CB 0.040 38.427 38.487 -0.167 0.000 1.441 8 N HN 0.494 nan 8.380 nan 0.000 0.490 9 K N 1.654 122.030 120.400 -0.039 0.000 2.439 9 K HA -0.076 4.244 4.320 -0.000 0.000 0.197 9 K C 0.718 177.465 176.600 0.245 0.000 1.041 9 K CA 0.735 57.079 56.287 0.094 0.000 0.970 9 K CB 0.367 32.941 32.500 0.123 0.000 0.773 9 K HN 0.415 nan 8.250 nan 0.000 0.479 10 Q N 0.297 120.190 119.800 0.155 0.000 2.402 10 Q HA 0.073 4.413 4.340 -0.000 0.000 0.206 10 Q C -0.050 176.083 176.000 0.221 0.000 0.919 10 Q CA 0.359 56.310 55.803 0.248 0.000 0.923 10 Q CB 0.354 29.201 28.738 0.182 0.000 1.048 10 Q HN 0.075 nan 8.270 nan 0.000 0.515 11 N N -0.523 118.162 118.700 -0.024 0.000 2.399 11 N HA 0.226 4.965 4.740 -0.000 0.000 0.280 11 N C -1.317 173.944 175.510 -0.416 0.000 1.008 11 N CA -0.307 52.556 53.050 -0.312 0.000 0.894 11 N CB 0.534 38.815 38.487 -0.343 0.000 1.273 11 N HN -0.083 nan 8.380 nan 0.000 0.486 12 F N 0.870 120.381 119.950 -0.732 0.000 2.724 12 F HA 0.268 4.795 4.527 -0.000 0.000 0.310 12 F C 1.650 177.138 175.800 -0.520 0.000 1.107 12 F CA -0.097 57.510 58.000 -0.655 0.000 1.218 12 F CB 0.572 38.972 39.000 -0.999 0.000 1.042 12 F HN 0.413 nan 8.300 nan 0.000 0.540 13 S N -0.983 114.514 115.700 -0.339 0.000 2.496 13 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 13 S C 2.050 176.460 174.600 -0.317 0.000 0.996 13 S CA 1.404 59.442 58.200 -0.271 0.000 0.927 13 S CB -0.374 62.722 63.200 -0.173 0.000 0.774 13 S HN 0.485 nan 8.310 nan 0.000 0.524 14 T N -0.707 113.641 114.554 -0.344 0.000 3.107 14 T HA 0.171 4.521 4.350 -0.000 0.000 0.249 14 T C 0.056 174.601 174.700 -0.257 0.000 1.096 14 T CA -0.203 61.691 62.100 -0.344 0.000 1.012 14 T CB 0.052 68.713 68.868 -0.344 0.000 0.977 14 T HN 0.025 nan 8.240 nan 0.000 0.527 15 D N 0.868 121.129 120.400 -0.231 0.000 2.326 15 D HA 0.525 5.165 4.640 -0.000 0.000 0.248 15 D C -0.896 175.349 176.300 -0.092 0.000 1.001 15 D CA -0.517 53.385 54.000 -0.163 0.000 0.961 15 D CB 2.543 43.239 40.800 -0.174 0.000 1.183 15 D HN -0.008 nan 8.370 nan 0.000 0.502 16 V N 2.245 122.132 119.914 -0.046 0.000 2.349 16 V HA 0.294 4.413 4.120 -0.000 0.000 0.284 16 V C 0.412 176.553 176.094 0.079 0.000 1.014 16 V CA -0.619 61.677 62.300 -0.007 0.000 0.826 16 V CB 1.047 32.850 31.823 -0.032 0.000 1.009 16 V HN 0.369 nan 8.190 nan 0.000 0.431 17 I N 4.247 124.898 120.570 0.135 0.000 2.779 17 I HA 0.233 4.403 4.170 -0.000 0.000 0.285 17 I C -0.567 175.701 176.117 0.252 0.000 1.134 17 I CA -0.058 61.386 61.300 0.241 0.000 1.398 17 I CB 0.566 38.739 38.000 0.289 0.000 1.404 17 I HN 0.631 nan 8.210 nan 0.000 0.587 18 Y N 5.092 125.478 120.300 0.143 0.000 2.349 18 Y HA 0.251 4.801 4.550 -0.000 0.000 0.324 18 Y C -0.336 175.608 175.900 0.074 0.000 1.005 18 Y CA -0.727 57.419 58.100 0.077 0.000 1.240 18 Y CB 0.924 39.391 38.460 0.011 0.000 1.117 18 Y HN 0.508 nan 8.280 nan 0.000 0.463 19 Q N 7.005 126.677 119.800 -0.214 0.000 2.295 19 Q HA 0.417 4.757 4.340 -0.000 0.000 0.259 19 Q C -1.275 174.549 176.000 -0.294 0.000 0.976 19 Q CA -0.161 55.456 55.803 -0.310 0.000 0.923 19 Q CB 0.605 28.992 28.738 -0.585 0.000 1.185 19 Q HN 0.782 nan 8.270 nan 0.000 0.410 20 I N 4.532 124.937 120.570 -0.276 0.000 2.362 20 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 20 I C -0.718 175.210 176.117 -0.315 0.000 0.994 20 I CA -0.804 60.310 61.300 -0.312 0.000 1.158 20 I CB 0.930 38.702 38.000 -0.379 0.000 1.315 20 I HN 0.619 nan 8.210 nan 0.000 0.451 21 F N 5.578 125.165 119.950 -0.605 0.000 2.405 21 F HA 0.148 4.675 4.527 -0.000 0.000 0.358 21 F C 1.699 177.266 175.800 -0.388 0.000 1.151 21 F CA 0.206 57.954 58.000 -0.419 0.000 1.161 21 F CB 0.825 39.660 39.000 -0.275 0.000 1.245 21 F HN 0.539 nan 8.300 nan 0.000 0.545 22 T N 2.223 116.561 114.554 -0.360 0.000 2.592 22 T HA -0.340 4.010 4.350 -0.000 0.000 0.267 22 T C 1.692 176.347 174.700 -0.075 0.000 1.060 22 T CA 2.262 64.172 62.100 -0.317 0.000 1.167 22 T CB -0.304 68.078 68.868 -0.811 0.000 0.863 22 T HN 0.676 nan 8.240 nan 0.000 0.431 23 D N 0.413 120.840 120.400 0.045 0.000 2.149 23 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 23 D C 1.956 178.368 176.300 0.186 0.000 0.990 23 D CA 0.810 54.950 54.000 0.233 0.000 0.839 23 D CB 0.113 41.116 40.800 0.338 0.000 0.948 23 D HN 0.187 nan 8.370 nan 0.000 0.460 24 R N -0.561 120.030 120.500 0.151 0.000 2.356 24 R HA 0.080 4.419 4.340 -0.000 0.000 0.234 24 R C 0.875 177.212 176.300 0.062 0.000 0.929 24 R CA -0.114 56.040 56.100 0.090 0.000 1.084 24 R CB -0.204 30.169 30.300 0.123 0.000 1.105 24 R HN 0.301 nan 8.270 nan 0.000 0.515 25 F N 0.917 120.816 119.950 -0.086 0.000 2.293 25 F HA 0.210 4.736 4.527 -0.000 0.000 0.272 25 F C 0.442 176.345 175.800 0.171 0.000 1.053 25 F CA 0.324 58.330 58.000 0.011 0.000 1.152 25 F CB 0.290 39.294 39.000 0.007 0.000 1.119 25 F HN -0.138 nan 8.300 nan 0.000 0.564 26 S N 0.097 115.876 115.700 0.132 0.000 2.616 26 S HA 0.197 4.667 4.470 -0.000 0.000 0.276 26 S C -1.769 172.898 174.600 0.111 0.000 1.159 26 S CA -0.837 57.400 58.200 0.061 0.000 1.000 26 S CB 0.567 63.727 63.200 -0.067 0.000 1.117 26 S HN 0.251 nan 8.310 nan 0.000 0.464 27 D N 3.836 124.300 120.400 0.107 0.000 2.455 27 D HA 0.349 4.989 4.640 -0.000 0.000 0.234 27 D C 1.292 177.639 176.300 0.079 0.000 1.224 27 D CA 0.215 54.283 54.000 0.113 0.000 0.999 27 D CB 0.266 41.151 40.800 0.141 0.000 1.072 27 D HN 0.709 nan 8.370 nan 0.000 0.514 28 G N 3.074 111.920 108.800 0.076 0.000 2.920 28 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.208 28 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.208 28 G C 0.561 175.490 174.900 0.049 0.000 1.159 28 G CA -0.325 44.809 45.100 0.055 0.000 0.784 28 G HN 0.483 nan 8.290 nan 0.000 0.535 29 N N -0.639 118.089 118.700 0.046 0.000 2.827 29 N HA 0.271 5.011 4.740 -0.000 0.000 0.240 29 N C -2.397 173.112 175.510 -0.002 0.000 1.352 29 N CA -1.436 51.629 53.050 0.025 0.000 0.760 29 N CB 1.762 40.269 38.487 0.032 0.000 1.426 29 N HN -0.257 nan 8.380 nan 0.000 0.561 30 P HA -0.033 nan 4.420 nan 0.000 0.221 30 P C 1.025 178.266 177.300 -0.098 0.000 1.145 30 P CA 0.992 64.066 63.100 -0.042 0.000 0.795 30 P CB 0.292 31.984 31.700 -0.014 0.000 0.775 31 A N 1.118 123.897 122.820 -0.068 0.000 1.978 31 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 31 A C 1.868 179.381 177.584 -0.117 0.000 1.170 31 A CA 2.088 54.077 52.037 -0.081 0.000 0.636 31 A CB -1.466 17.506 19.000 -0.047 0.000 0.810 31 A HN 0.336 nan 8.150 nan 0.000 0.448 32 N N -0.075 118.555 118.700 -0.115 0.000 2.398 32 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 32 N C -0.388 174.975 175.510 -0.245 0.000 1.122 32 N CA 0.001 52.962 53.050 -0.147 0.000 0.866 32 N CB -0.712 37.715 38.487 -0.100 0.000 0.970 32 N HN 0.252 nan 8.380 nan 0.000 0.462 33 N N 2.110 120.615 118.700 -0.326 0.000 2.407 33 N HA 0.148 4.888 4.740 -0.000 0.000 0.250 33 N C -2.207 172.918 175.510 -0.642 0.000 1.236 33 N CA -0.784 51.898 53.050 -0.614 0.000 0.879 33 N CB 0.081 37.955 38.487 -1.021 0.000 1.088 33 N HN 0.214 nan 8.380 nan 0.000 0.450 34 P HA 0.137 nan 4.420 nan 0.000 0.274 34 P C -0.148 176.934 177.300 -0.363 0.000 1.260 34 P CA -0.142 62.710 63.100 -0.414 0.000 0.793 34 P CB 0.476 31.982 31.700 -0.323 0.000 1.048 35 T N -3.661 110.820 114.554 -0.121 0.000 2.896 35 T HA 0.632 4.982 4.350 -0.000 0.000 0.297 35 T C 0.489 175.232 174.700 0.071 0.000 1.108 35 T CA 0.082 62.162 62.100 -0.033 0.000 1.004 35 T CB 1.500 70.320 68.868 -0.079 0.000 1.159 35 T HN 0.725 nan 8.240 nan 0.000 0.499 36 G N 1.813 110.675 108.800 0.102 0.000 2.565 36 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.295 36 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.295 36 G C 1.318 176.282 174.900 0.108 0.000 1.165 36 G CA 1.206 46.359 45.100 0.088 0.000 0.977 36 G HN 1.913 nan 8.290 nan 0.000 0.546 37 A N -0.171 122.697 122.820 0.081 0.000 2.024 37 A HA 0.335 4.655 4.320 -0.000 0.000 0.220 37 A C 2.812 180.461 177.584 0.109 0.000 1.164 37 A CA 3.322 55.406 52.037 0.078 0.000 0.643 37 A CB -0.750 18.285 19.000 0.059 0.000 0.806 37 A HN 2.208 nan 8.150 nan 0.000 0.451 38 A N -2.430 120.481 122.820 0.151 0.000 2.178 38 A HA 0.454 4.774 4.320 -0.000 0.000 0.211 38 A C 0.496 178.273 177.584 0.321 0.000 1.157 38 A CA 0.112 52.284 52.037 0.224 0.000 0.780 38 A CB -0.154 18.988 19.000 0.236 0.000 0.828 38 A HN 0.417 nan 8.150 nan 0.000 0.476 39 F N -0.212 119.783 119.950 0.075 0.000 2.507 39 F HA 0.586 5.113 4.527 -0.000 0.000 0.327 39 F C -1.023 174.802 175.800 0.042 0.000 1.068 39 F CA -1.539 56.503 58.000 0.070 0.000 0.965 39 F CB 1.852 40.872 39.000 0.032 0.000 1.192 39 F HN 0.026 nan 8.300 nan 0.000 0.476 40 D N 2.453 122.330 120.400 -0.873 0.000 2.445 40 D HA 0.221 4.860 4.640 -0.000 0.000 0.236 40 D C 0.753 176.550 176.300 -0.838 0.000 1.315 40 D CA 0.047 53.684 54.000 -0.604 0.000 0.924 40 D CB 0.557 41.175 40.800 -0.304 0.000 1.447 40 D HN 0.654 nan 8.370 nan 0.000 0.532 41 G N 1.139 109.462 108.800 -0.796 0.000 2.479 41 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 41 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 41 G C 1.279 176.063 174.900 -0.194 0.000 1.115 41 G CA 1.167 46.035 45.100 -0.386 0.000 0.757 41 G HN 0.487 nan 8.290 nan 0.000 0.560 42 T N -0.771 113.678 114.554 -0.175 0.000 3.035 42 T HA -0.019 4.331 4.350 -0.000 0.000 0.268 42 T C 1.319 175.950 174.700 -0.116 0.000 1.109 42 T CA 0.976 63.013 62.100 -0.106 0.000 1.119 42 T CB -0.614 68.207 68.868 -0.079 0.000 0.900 42 T HN 0.427 nan 8.240 nan 0.000 0.503 43 c N 1.986 120.481 118.600 -0.175 0.000 4.235 43 c HA -0.176 4.394 4.570 -0.000 0.000 0.301 43 c C 1.632 175.657 174.090 -0.109 0.000 1.409 43 c CA 0.860 57.098 56.329 -0.151 0.000 2.024 43 c CB -2.521 39.926 42.510 -0.106 0.000 1.286 43 c HN 0.605 nan 8.230 nan 0.000 0.746 44 T N -0.286 114.204 114.554 -0.106 0.000 3.037 44 T HA 0.030 4.380 4.350 -0.000 0.000 0.252 44 T C 0.674 175.328 174.700 -0.076 0.000 1.073 44 T CA 1.067 63.123 62.100 -0.074 0.000 1.091 44 T CB -0.150 68.682 68.868 -0.060 0.000 0.935 44 T HN 0.673 nan 8.240 nan 0.000 0.488 45 N N 2.062 120.700 118.700 -0.103 0.000 2.609 45 N HA 0.212 4.952 4.740 -0.000 0.000 0.234 45 N C 0.521 175.938 175.510 -0.155 0.000 1.001 45 N CA -0.323 52.667 53.050 -0.100 0.000 0.926 45 N CB 0.271 38.709 38.487 -0.083 0.000 1.130 45 N HN 0.197 nan 8.380 nan 0.000 0.510 46 L N 2.082 123.221 121.223 -0.140 0.000 2.784 46 L HA 0.014 4.354 4.340 -0.000 0.000 0.247 46 L C 1.362 178.018 176.870 -0.358 0.000 1.162 46 L CA 0.558 55.275 54.840 -0.206 0.000 0.881 46 L CB -0.176 41.823 42.059 -0.101 0.000 1.032 46 L HN 0.377 nan 8.230 nan 0.000 0.446 47 R N -1.387 118.934 120.500 -0.298 0.000 2.446 47 R HA 0.226 4.566 4.340 -0.000 0.000 0.254 47 R C -0.084 176.030 176.300 -0.309 0.000 0.918 47 R CA -0.366 55.577 56.100 -0.262 0.000 1.069 47 R CB 0.680 30.995 30.300 0.025 0.000 1.194 47 R HN 0.075 nan 8.270 nan 0.000 0.534 48 L N -0.365 120.674 121.223 -0.307 0.000 2.416 48 L HA 0.309 4.649 4.340 -0.000 0.000 0.263 48 L C -0.181 176.547 176.870 -0.236 0.000 1.065 48 L CA -0.818 53.927 54.840 -0.160 0.000 0.798 48 L CB 0.171 42.171 42.059 -0.099 0.000 1.267 48 L HN -0.090 nan 8.230 nan 0.000 0.467 49 Y N -0.733 119.543 120.300 -0.041 0.000 2.346 49 Y HA 0.096 4.646 4.550 -0.000 0.000 0.330 49 Y C 1.006 176.831 175.900 -0.124 0.000 1.178 49 Y CA 0.218 58.364 58.100 0.076 0.000 1.331 49 Y CB 0.946 39.596 38.460 0.317 0.000 1.253 49 Y HN 0.525 nan 8.280 nan 0.000 0.529 50 c N 0.705 119.374 118.600 0.116 0.000 3.019 50 c HA 0.332 4.902 4.570 -0.000 0.000 0.295 50 c C 1.634 175.878 174.090 0.256 0.000 1.256 50 c CA 0.384 56.645 56.329 -0.113 0.000 1.706 50 c CB -0.308 42.162 42.510 -0.067 0.000 2.153 50 c HN 1.212 nan 8.230 nan 0.000 0.618 51 G N 0.497 109.665 108.800 0.613 0.000 2.179 51 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.220 51 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.220 51 G C 0.401 175.471 174.900 0.284 0.000 0.990 51 G CA -0.037 45.378 45.100 0.525 0.000 0.646 51 G HN 0.808 nan 8.290 nan 0.000 0.517 52 G N 0.573 109.527 108.800 0.257 0.000 2.391 52 G HA2 0.524 4.484 3.960 -0.000 0.000 0.234 52 G HA3 0.524 4.484 3.960 -0.000 0.000 0.234 52 G C 0.036 175.026 174.900 0.150 0.000 1.284 52 G CA 1.164 46.377 45.100 0.188 0.000 0.873 52 G HN 1.178 nan 8.290 nan 0.000 0.549 53 D N -0.830 119.635 120.400 0.109 0.000 2.677 53 D HA 0.197 4.837 4.640 -0.000 0.000 0.298 53 D C 0.489 176.868 176.300 0.130 0.000 1.250 53 D CA -0.912 53.101 54.000 0.022 0.000 0.888 53 D CB 0.155 40.971 40.800 0.026 0.000 1.397 53 D HN 0.303 nan 8.370 nan 0.000 0.461 54 W N -0.400 120.966 121.300 0.110 0.000 2.350 54 W HA -0.064 4.596 4.660 -0.000 0.000 0.289 54 W C 2.039 178.598 176.519 0.067 0.000 1.215 54 W CA 1.112 58.502 57.345 0.075 0.000 1.236 54 W CB -0.873 28.649 29.460 0.103 0.000 1.130 54 W HN 0.554 nan 8.180 nan 0.000 0.541 55 Q N 0.299 120.264 119.800 0.276 0.000 2.119 55 Q HA -0.044 4.296 4.340 -0.000 0.000 0.201 55 Q C 2.395 178.476 176.000 0.134 0.000 0.972 55 Q CA 2.268 58.173 55.803 0.170 0.000 0.847 55 Q CB -1.008 27.805 28.738 0.125 0.000 0.903 55 Q HN 0.156 nan 8.270 nan 0.000 0.433 56 G N 0.770 109.660 108.800 0.151 0.000 2.459 56 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 56 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 56 G C 1.437 176.446 174.900 0.181 0.000 1.183 56 G CA 1.089 46.266 45.100 0.128 0.000 0.776 56 G HN 0.440 nan 8.290 nan 0.000 0.552 57 I N 0.763 121.513 120.570 0.300 0.000 2.226 57 I HA -0.160 4.009 4.170 -0.000 0.000 0.245 57 I C 2.691 178.914 176.117 0.177 0.000 1.100 57 I CA 0.877 62.373 61.300 0.327 0.000 1.374 57 I CB -0.376 37.768 38.000 0.241 0.000 1.057 57 I HN 0.164 nan 8.210 nan 0.000 0.413 58 I N 1.027 121.671 120.570 0.124 0.000 2.179 58 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 58 I C 2.257 178.398 176.117 0.040 0.000 1.088 58 I CA 1.407 62.743 61.300 0.060 0.000 1.357 58 I CB -0.739 37.293 38.000 0.052 0.000 1.051 58 I HN 0.309 nan 8.210 nan 0.000 0.409 59 N N 1.209 119.930 118.700 0.034 0.000 2.104 59 N HA -0.156 4.583 4.740 -0.000 0.000 0.190 59 N C 1.765 177.242 175.510 -0.054 0.000 1.024 59 N CA 1.197 54.236 53.050 -0.018 0.000 0.853 59 N CB -0.262 38.202 38.487 -0.039 0.000 1.008 59 N HN 0.243 nan 8.380 nan 0.000 0.424 60 K N 0.832 121.206 120.400 -0.045 0.000 2.155 60 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 60 K C 2.116 178.745 176.600 0.047 0.000 1.052 60 K CA 0.284 56.537 56.287 -0.057 0.000 0.948 60 K CB -0.366 32.136 32.500 0.004 0.000 0.728 60 K HN 0.285 nan 8.250 nan 0.000 0.448 61 I N 1.137 121.742 120.570 0.059 0.000 2.315 61 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 61 I C 1.395 177.519 176.117 0.012 0.000 1.117 61 I CA 1.209 62.528 61.300 0.032 0.000 1.404 61 I CB -0.167 37.844 38.000 0.019 0.000 1.071 61 I HN 0.256 nan 8.210 nan 0.000 0.419 62 N N 0.400 119.103 118.700 0.004 0.000 2.354 62 N HA -0.149 4.591 4.740 -0.000 0.000 0.179 62 N C 0.832 176.338 175.510 -0.007 0.000 1.021 62 N CA 0.916 53.964 53.050 -0.004 0.000 0.887 62 N CB 0.033 38.517 38.487 -0.006 0.000 0.974 62 N HN 0.396 nan 8.380 nan 0.000 0.437 63 D N -0.381 120.009 120.400 -0.017 0.000 2.325 63 D HA 0.113 4.753 4.640 -0.000 0.000 0.225 63 D C 1.213 177.521 176.300 0.013 0.000 1.096 63 D CA 0.102 54.090 54.000 -0.021 0.000 0.844 63 D CB -0.215 40.547 40.800 -0.063 0.000 0.925 63 D HN 0.213 nan 8.370 nan 0.000 0.513 64 G N 0.056 108.875 108.800 0.032 0.000 2.205 64 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.261 64 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.261 64 G C 0.759 175.733 174.900 0.122 0.000 0.980 64 G CA 0.457 45.592 45.100 0.058 0.000 0.632 64 G HN 0.366 nan 8.290 nan 0.000 0.533 65 Y N 1.033 121.338 120.300 0.008 0.000 2.081 65 Y HA -0.064 4.486 4.550 -0.000 0.000 0.280 65 Y C 2.678 178.641 175.900 0.104 0.000 1.163 65 Y CA 2.489 60.644 58.100 0.091 0.000 1.135 65 Y CB -0.494 37.975 38.460 0.015 0.000 0.970 65 Y HN 0.336 nan 8.280 nan 0.000 0.498 66 L N -0.948 120.202 121.223 -0.122 0.000 2.044 66 L HA -0.164 4.175 4.340 -0.000 0.000 0.205 66 L C 2.658 179.394 176.870 -0.222 0.000 1.075 66 L CA 1.833 56.485 54.840 -0.313 0.000 0.747 66 L CB -1.206 40.724 42.059 -0.215 0.000 0.903 66 L HN 0.340 nan 8.230 nan 0.000 0.435 67 T N -2.135 112.359 114.554 -0.101 0.000 2.881 67 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 67 T C 1.853 176.520 174.700 -0.056 0.000 1.068 67 T CA 1.176 63.233 62.100 -0.072 0.000 1.131 67 T CB -0.559 68.288 68.868 -0.034 0.000 0.871 67 T HN 0.390 nan 8.240 nan 0.000 0.479 68 G N 0.699 109.496 108.800 -0.006 0.000 2.408 68 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.217 68 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.217 68 G C 1.557 176.468 174.900 0.020 0.000 1.150 68 G CA 0.577 45.737 45.100 0.100 0.000 0.776 68 G HN 0.517 nan 8.290 nan 0.000 0.542 69 M N 0.272 119.701 119.600 -0.285 0.000 2.619 69 M HA 0.160 4.640 4.480 -0.000 0.000 0.251 69 M C 1.925 178.035 176.300 -0.318 0.000 1.106 69 M CA 0.874 55.793 55.300 -0.635 0.000 1.086 69 M CB 0.213 32.276 32.600 -0.895 0.000 1.465 69 M HN 0.407 nan 8.290 nan 0.000 0.506 70 G N 0.305 108.988 108.800 -0.194 0.000 2.179 70 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 70 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 70 G C 0.158 174.983 174.900 -0.125 0.000 0.977 70 G CA 0.117 45.136 45.100 -0.135 0.000 0.641 70 G HN 0.327 nan 8.290 nan 0.000 0.533 71 V N 1.615 121.439 119.914 -0.150 0.000 2.694 71 V HA 0.398 4.518 4.120 -0.000 0.000 0.306 71 V C 1.644 177.699 176.094 -0.065 0.000 1.054 71 V CA 1.764 64.011 62.300 -0.088 0.000 1.161 71 V CB 1.343 33.093 31.823 -0.121 0.000 0.916 71 V HN 0.915 nan 8.190 nan 0.000 0.490 72 T N 0.947 115.484 114.554 -0.029 0.000 3.209 72 T HA 0.709 5.059 4.350 -0.000 0.000 0.295 72 T C -0.150 174.548 174.700 -0.002 0.000 0.977 72 T CA 0.351 62.427 62.100 -0.040 0.000 0.922 72 T CB 0.406 69.223 68.868 -0.084 0.000 1.152 72 T HN 1.169 nan 8.240 nan 0.000 0.527 73 A N 1.391 124.261 122.820 0.083 0.000 2.599 73 A HA 0.772 5.092 4.320 -0.000 0.000 0.294 73 A C -1.605 176.124 177.584 0.241 0.000 1.055 73 A CA -1.198 50.953 52.037 0.190 0.000 0.683 73 A CB 0.922 20.116 19.000 0.324 0.000 1.278 73 A HN 0.827 nan 8.150 nan 0.000 0.412 74 I N -2.662 118.072 120.570 0.273 0.000 2.769 74 I HA 0.890 5.060 4.170 -0.000 0.000 0.298 74 I C -1.129 175.211 176.117 0.372 0.000 1.128 74 I CA -0.720 60.748 61.300 0.280 0.000 1.031 74 I CB 2.179 40.273 38.000 0.157 0.000 1.235 74 I HN 0.852 nan 8.210 nan 0.000 0.423 75 W N 8.324 129.717 121.300 0.156 0.000 2.424 75 W HA 0.772 5.432 4.660 -0.000 0.000 0.318 75 W C -1.521 175.040 176.519 0.069 0.000 1.016 75 W CA -1.968 55.463 57.345 0.144 0.000 1.268 75 W CB 0.797 30.390 29.460 0.223 0.000 1.297 75 W HN 0.678 nan 8.180 nan 0.000 0.428 76 I N 2.710 123.482 120.570 0.338 0.000 2.676 76 I HA 0.662 4.832 4.170 -0.000 0.000 0.309 76 I C 0.559 176.721 176.117 0.074 0.000 0.990 76 I CA -0.834 60.523 61.300 0.095 0.000 1.168 76 I CB 1.554 39.619 38.000 0.108 0.000 1.343 76 I HN 0.251 nan 8.210 nan 0.000 0.482 77 S N 2.354 117.942 115.700 -0.187 0.000 2.550 77 S HA -0.080 4.390 4.470 -0.000 0.000 0.285 77 S C 0.098 174.650 174.600 -0.081 0.000 1.326 77 S CA -0.286 57.734 58.200 -0.299 0.000 1.037 77 S CB 0.133 63.012 63.200 -0.535 0.000 0.838 77 S HN 0.729 nan 8.310 nan 0.000 0.519 78 Q N 2.595 122.306 119.800 -0.149 0.000 2.262 78 Q HA -0.010 4.330 4.340 -0.000 0.000 0.298 78 Q C -1.419 174.617 176.000 0.060 0.000 1.083 78 Q CA -1.270 54.488 55.803 -0.076 0.000 0.962 78 Q CB 0.534 29.174 28.738 -0.163 0.000 1.104 78 Q HN 0.372 nan 8.270 nan 0.000 0.376 79 P HA -0.088 nan 4.420 nan 0.000 0.225 79 P C 0.583 177.996 177.300 0.189 0.000 1.156 79 P CA 0.437 63.707 63.100 0.283 0.000 0.787 79 P CB -0.232 31.409 31.700 -0.097 0.000 0.802 80 V N -0.490 119.405 119.914 -0.033 0.000 3.139 80 V HA 0.065 4.185 4.120 -0.000 0.000 0.307 80 V C 0.439 176.526 176.094 -0.012 0.000 1.095 80 V CA -0.689 61.672 62.300 0.102 0.000 1.160 80 V CB -0.094 31.726 31.823 -0.006 0.000 1.003 80 V HN 0.048 nan 8.190 nan 0.000 0.489 81 E N 3.778 123.985 120.200 0.010 0.000 2.366 81 E HA 0.130 4.480 4.350 -0.000 0.000 0.266 81 E C -0.066 176.409 176.600 -0.207 0.000 1.015 81 E CA -0.007 56.337 56.400 -0.093 0.000 0.906 81 E CB 0.245 29.934 29.700 -0.018 0.000 0.979 81 E HN 0.908 nan 8.360 nan 0.000 0.443 82 N N 3.453 121.973 118.700 -0.300 0.000 2.485 82 N HA 0.297 5.037 4.740 -0.000 0.000 0.280 82 N C 0.415 175.664 175.510 -0.435 0.000 1.205 82 N CA -0.723 52.170 53.050 -0.263 0.000 0.959 82 N CB 1.016 39.369 38.487 -0.223 0.000 1.206 82 N HN 0.465 nan 8.380 nan 0.000 0.545 83 I N -1.648 118.794 120.570 -0.214 0.000 3.327 83 I HA -0.017 4.153 4.170 -0.000 0.000 0.280 83 I C -0.115 175.732 176.117 -0.450 0.000 1.207 83 I CA 0.062 61.207 61.300 -0.257 0.000 1.280 83 I CB 0.166 38.152 38.000 -0.024 0.000 1.417 83 I HN 0.596 nan 8.210 nan 0.000 0.639 84 Y N 0.461 120.781 120.300 0.034 0.000 2.481 84 Y HA 0.266 4.816 4.550 -0.000 0.000 0.247 84 Y C 1.359 177.287 175.900 0.045 0.000 1.151 84 Y CA -0.241 57.875 58.100 0.027 0.000 1.238 84 Y CB 0.066 38.507 38.460 -0.031 0.000 1.179 84 Y HN 0.485 nan 8.280 nan 0.000 0.524 85 S N 1.446 117.219 115.700 0.121 0.000 2.549 85 S HA 0.170 4.640 4.470 -0.000 0.000 0.286 85 S C 0.107 174.763 174.600 0.094 0.000 1.314 85 S CA -0.034 58.195 58.200 0.049 0.000 1.062 85 S CB 0.055 63.200 63.200 -0.091 0.000 0.865 85 S HN 0.126 nan 8.310 nan 0.000 0.498 86 I N 4.580 125.185 120.570 0.058 0.000 2.306 86 I HA 0.293 4.463 4.170 -0.000 0.000 0.288 86 I C -0.536 175.577 176.117 -0.007 0.000 1.036 86 I CA -0.239 61.107 61.300 0.077 0.000 1.221 86 I CB 0.589 38.630 38.000 0.068 0.000 1.385 86 I HN 0.446 nan 8.210 nan 0.000 0.472 87 I N 5.900 126.452 120.570 -0.029 0.000 2.331 87 I HA 0.151 4.321 4.170 -0.000 0.000 0.292 87 I C 0.336 176.310 176.117 -0.238 0.000 0.998 87 I CA -0.364 60.801 61.300 -0.224 0.000 1.267 87 I CB 1.111 38.823 38.000 -0.480 0.000 1.386 87 I HN 0.486 nan 8.210 nan 0.000 0.476 88 N N 5.464 124.055 118.700 -0.180 0.000 2.439 88 N HA 0.130 4.870 4.740 -0.000 0.000 0.243 88 N C -1.082 174.368 175.510 -0.100 0.000 1.088 88 N CA -0.236 52.761 53.050 -0.087 0.000 0.940 88 N CB 0.245 38.726 38.487 -0.010 0.000 1.180 88 N HN 0.303 nan 8.380 nan 0.000 0.505 89 Y N 2.795 123.164 120.300 0.114 0.000 2.667 89 Y HA 0.161 4.711 4.550 -0.000 0.000 0.340 89 Y C 0.284 176.217 175.900 0.056 0.000 1.303 89 Y CA -0.752 57.402 58.100 0.089 0.000 1.769 89 Y CB -0.880 37.639 38.460 0.099 0.000 1.804 89 Y HN 0.521 nan 8.280 nan 0.000 0.451 90 S N 0.583 116.386 115.700 0.171 0.000 3.488 90 S HA -0.091 4.379 4.470 -0.000 0.000 0.492 90 S C 1.184 175.835 174.600 0.084 0.000 0.779 90 S CA 0.546 58.809 58.200 0.105 0.000 1.378 90 S CB -1.526 61.731 63.200 0.095 0.000 0.924 90 S HN 1.482 nan 8.310 nan 0.000 0.719 91 G N -0.705 108.133 108.800 0.064 0.000 2.166 91 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.260 91 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.260 91 G C 0.235 175.169 174.900 0.058 0.000 0.986 91 G CA 0.531 45.661 45.100 0.051 0.000 0.683 91 G HN 2.234 nan 8.290 nan 0.000 0.527 92 V N -3.196 116.766 119.914 0.080 0.000 2.623 92 V HA 0.746 4.866 4.120 -0.000 0.000 0.304 92 V C -0.503 175.648 176.094 0.094 0.000 1.054 92 V CA -1.990 60.363 62.300 0.087 0.000 0.882 92 V CB 1.844 33.731 31.823 0.107 0.000 1.002 92 V HN 0.083 nan 8.190 nan 0.000 0.424 93 N N 3.827 122.571 118.700 0.073 0.000 2.444 93 N HA 0.431 5.171 4.740 -0.000 0.000 0.271 93 N C -0.663 174.915 175.510 0.113 0.000 1.069 93 N CA -0.047 53.045 53.050 0.070 0.000 0.965 93 N CB 0.798 39.318 38.487 0.054 0.000 1.092 93 N HN 0.830 nan 8.380 nan 0.000 0.476 94 N N 0.223 119.015 118.700 0.153 0.000 2.321 94 N HA 0.398 5.138 4.740 -0.000 0.000 0.299 94 N C -0.388 175.293 175.510 0.285 0.000 1.048 94 N CA -0.373 52.841 53.050 0.273 0.000 0.836 94 N CB 2.058 40.842 38.487 0.495 0.000 1.269 94 N HN 0.517 nan 8.380 nan 0.000 0.486 95 T N -2.588 112.084 114.554 0.198 0.000 2.940 95 T HA 0.588 4.938 4.350 -0.000 0.000 0.288 95 T C 0.476 174.949 174.700 -0.379 0.000 1.045 95 T CA -0.801 61.359 62.100 0.099 0.000 1.018 95 T CB 1.716 70.644 68.868 0.100 0.000 1.151 95 T HN 0.365 nan 8.240 nan 0.000 0.529 96 A N 0.553 123.066 122.820 -0.512 0.000 2.476 96 A HA 0.278 4.598 4.320 -0.000 0.000 0.263 96 A C 1.271 178.096 177.584 -1.265 0.000 1.342 96 A CA -0.321 51.000 52.037 -1.192 0.000 0.926 96 A CB -1.517 17.250 19.000 -0.387 0.000 1.019 96 A HN 0.971 nan 8.150 nan 0.000 0.515 97 Y N -0.087 119.410 120.300 -1.338 0.000 2.446 97 Y HA -0.279 4.271 4.550 -0.000 0.000 0.287 97 Y C 1.510 177.045 175.900 -0.608 0.000 1.159 97 Y CA 1.552 58.895 58.100 -1.262 0.000 1.297 97 Y CB -1.212 36.629 38.460 -1.030 0.000 0.974 97 Y HN 0.639 nan 8.280 nan 0.000 0.557 98 H N -1.626 116.691 119.070 -1.255 0.000 2.529 98 H HA 0.430 4.986 4.556 -0.000 0.000 0.277 98 H C 1.808 176.654 175.328 -0.805 0.000 1.004 98 H CA -1.103 54.347 56.048 -0.996 0.000 1.167 98 H CB -0.480 28.787 29.762 -0.826 0.000 1.445 98 H HN 0.329 nan 8.280 nan 0.000 0.554 99 G N 0.481 109.001 108.800 -0.467 0.000 2.269 99 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.277 99 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.277 99 G C 0.176 174.908 174.900 -0.280 0.000 1.008 99 G CA 1.119 46.028 45.100 -0.317 0.000 0.774 99 G HN 0.569 nan 8.290 nan 0.000 0.511 100 Y N -2.183 118.170 120.300 0.088 0.000 2.478 100 Y HA 0.329 4.879 4.550 -0.000 0.000 0.261 100 Y C 1.023 177.141 175.900 0.364 0.000 1.127 100 Y CA -0.577 57.598 58.100 0.125 0.000 1.288 100 Y CB 0.396 38.875 38.460 0.031 0.000 1.084 100 Y HN 0.377 nan 8.280 nan 0.000 0.530 101 W N 1.931 123.393 121.300 0.270 0.000 2.292 101 W HA 0.679 5.339 4.660 -0.000 0.000 0.352 101 W C 0.166 176.674 176.519 -0.019 0.000 0.962 101 W CA -1.968 55.476 57.345 0.166 0.000 1.496 101 W CB -0.566 28.970 29.460 0.127 0.000 1.381 101 W HN -0.154 nan 8.180 nan 0.000 0.363 102 A N 3.411 126.302 122.820 0.119 0.000 2.332 102 A HA 0.666 4.986 4.320 -0.000 0.000 0.258 102 A C 1.310 178.849 177.584 -0.076 0.000 1.087 102 A CA -0.162 51.744 52.037 -0.219 0.000 0.802 102 A CB 0.808 19.301 19.000 -0.845 0.000 1.042 102 A HN 0.710 nan 8.150 nan 0.000 0.489 103 R N -0.630 119.802 120.500 -0.114 0.000 2.702 103 R HA 0.170 4.510 4.340 -0.000 0.000 0.223 103 R C -1.279 175.153 176.300 0.221 0.000 0.953 103 R CA 0.342 56.511 56.100 0.114 0.000 1.068 103 R CB 0.792 31.123 30.300 0.052 0.000 1.600 103 R HN 0.561 nan 8.270 nan 0.000 0.602 104 D N 0.038 120.484 120.400 0.078 0.000 2.470 104 D HA 0.191 4.831 4.640 -0.000 0.000 0.233 104 D C -0.726 175.724 176.300 0.250 0.000 1.372 104 D CA -0.512 53.656 54.000 0.279 0.000 0.994 104 D CB 0.985 41.927 40.800 0.236 0.000 1.377 104 D HN 0.051 nan 8.370 nan 0.000 0.586 105 F N 1.783 121.992 119.950 0.431 0.000 2.811 105 F HA 0.194 4.721 4.527 -0.000 0.000 0.301 105 F C 2.070 178.155 175.800 0.474 0.000 1.151 105 F CA 0.392 58.655 58.000 0.438 0.000 1.412 105 F CB 0.299 39.532 39.000 0.388 0.000 1.113 105 F HN 0.094 nan 8.300 nan 0.000 0.579 106 K N -0.085 120.596 120.400 0.467 0.000 2.358 106 K HA 0.139 4.459 4.320 -0.000 0.000 0.197 106 K C 0.117 176.785 176.600 0.113 0.000 1.025 106 K CA 0.209 56.623 56.287 0.213 0.000 1.104 106 K CB 0.381 32.977 32.500 0.161 0.000 0.855 106 K HN 0.058 nan 8.250 nan 0.000 0.531 107 K N -0.060 120.479 120.400 0.231 0.000 2.466 107 K HA 0.289 4.609 4.320 -0.000 0.000 0.260 107 K C -0.263 176.534 176.600 0.328 0.000 1.011 107 K CA -0.800 55.596 56.287 0.180 0.000 0.871 107 K CB 1.767 34.352 32.500 0.142 0.000 1.404 107 K HN -0.082 nan 8.250 nan 0.000 0.450 108 T N -1.639 113.101 114.554 0.310 0.000 2.849 108 T HA 0.208 4.558 4.350 -0.000 0.000 0.276 108 T C 0.159 174.966 174.700 0.179 0.000 0.971 108 T CA -0.778 61.577 62.100 0.426 0.000 0.949 108 T CB 0.632 69.892 68.868 0.653 0.000 1.093 108 T HN 0.433 nan 8.240 nan 0.000 0.545 109 N N 1.500 120.229 118.700 0.047 0.000 2.462 109 N HA 0.307 5.047 4.740 -0.000 0.000 0.242 109 N C -1.937 173.424 175.510 -0.249 0.000 1.010 109 N CA -2.410 50.502 53.050 -0.231 0.000 0.939 109 N CB 1.082 39.185 38.487 -0.640 0.000 1.127 109 N HN 0.232 nan 8.380 nan 0.000 0.509 110 P HA -0.195 nan 4.420 nan 0.000 0.218 110 P C 0.781 177.963 177.300 -0.196 0.000 1.152 110 P CA 1.496 64.537 63.100 -0.098 0.000 0.857 110 P CB 0.265 31.939 31.700 -0.043 0.000 0.787 111 A N -1.688 120.942 122.820 -0.317 0.000 1.902 111 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 111 A C 1.993 179.453 177.584 -0.208 0.000 1.181 111 A CA 1.546 53.375 52.037 -0.347 0.000 0.623 111 A CB -1.721 16.947 19.000 -0.553 0.000 0.818 111 A HN 0.116 nan 8.150 nan 0.000 0.443 112 Y N -0.853 119.169 120.300 -0.462 0.000 2.243 112 Y HA 0.352 4.901 4.550 -0.000 0.000 0.293 112 Y C 1.687 177.031 175.900 -0.928 0.000 1.124 112 Y CA 0.280 57.833 58.100 -0.912 0.000 1.159 112 Y CB -0.884 36.661 38.460 -1.526 0.000 1.008 112 Y HN 0.482 nan 8.280 nan 0.000 0.527 113 G N -1.289 107.203 108.800 -0.513 0.000 2.345 113 G HA2 0.342 4.302 3.960 -0.000 0.000 0.285 113 G HA3 0.342 4.302 3.960 -0.000 0.000 0.285 113 G C -0.808 174.253 174.900 0.267 0.000 1.297 113 G CA -0.395 44.716 45.100 0.019 0.000 0.875 113 G HN 0.219 nan 8.290 nan 0.000 0.506 114 T N -1.759 113.054 114.554 0.432 0.000 2.919 114 T HA 0.629 4.979 4.350 -0.000 0.000 0.282 114 T C 1.670 176.650 174.700 0.467 0.000 1.020 114 T CA -0.276 62.040 62.100 0.360 0.000 0.994 114 T CB 1.132 70.122 68.868 0.203 0.000 1.180 114 T HN 0.538 nan 8.240 nan 0.000 0.566 115 I N 0.623 121.363 120.570 0.283 0.000 2.208 115 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 115 I C 3.090 179.344 176.117 0.228 0.000 1.097 115 I CA 1.860 63.288 61.300 0.214 0.000 1.363 115 I CB -1.926 36.111 38.000 0.062 0.000 1.051 115 I HN 0.847 nan 8.210 nan 0.000 0.413 116 A N 1.002 123.929 122.820 0.179 0.000 1.892 116 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 116 A C 2.051 179.734 177.584 0.164 0.000 1.188 116 A CA 2.252 54.372 52.037 0.139 0.000 0.631 116 A CB -0.671 18.396 19.000 0.112 0.000 0.822 116 A HN 0.368 nan 8.150 nan 0.000 0.447 117 D N -1.339 119.213 120.400 0.253 0.000 2.097 117 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 117 D C 1.672 178.104 176.300 0.220 0.000 0.989 117 D CA 1.292 55.474 54.000 0.302 0.000 0.827 117 D CB -0.466 40.635 40.800 0.501 0.000 0.966 117 D HN 0.450 nan 8.370 nan 0.000 0.456 118 F N 1.792 121.762 119.950 0.034 0.000 2.095 118 F HA -0.238 4.288 4.527 -0.000 0.000 0.298 118 F C 2.433 178.094 175.800 -0.231 0.000 1.104 118 F CA 1.654 59.398 58.000 -0.426 0.000 1.232 118 F CB -0.141 38.573 39.000 -0.477 0.000 0.987 118 F HN -0.036 nan 8.300 nan 0.000 0.475 119 Q N -0.037 119.802 119.800 0.065 0.000 2.084 119 Q HA -0.238 4.101 4.340 -0.000 0.000 0.202 119 Q C 1.885 177.817 176.000 -0.114 0.000 0.978 119 Q CA 2.028 57.826 55.803 -0.009 0.000 0.844 119 Q CB -0.626 28.149 28.738 0.062 0.000 0.898 119 Q HN 0.604 nan 8.270 nan 0.000 0.426 120 N N 0.500 119.161 118.700 -0.065 0.000 2.166 120 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 120 N C 1.711 177.139 175.510 -0.138 0.000 1.019 120 N CA 0.617 53.630 53.050 -0.063 0.000 0.856 120 N CB -0.064 38.426 38.487 0.006 0.000 0.993 120 N HN 0.087 nan 8.380 nan 0.000 0.426 121 L N 1.263 122.346 121.223 -0.234 0.000 1.994 121 L HA -0.121 4.218 4.340 -0.000 0.000 0.208 121 L C 1.756 178.387 176.870 -0.398 0.000 1.071 121 L CA 1.566 56.212 54.840 -0.322 0.000 0.745 121 L CB -0.641 41.088 42.059 -0.551 0.000 0.892 121 L HN 0.151 nan 8.230 nan 0.000 0.431 122 I N 0.328 120.559 120.570 -0.565 0.000 2.194 122 I HA -0.311 3.859 4.170 -0.000 0.000 0.246 122 I C 2.695 178.496 176.117 -0.528 0.000 1.093 122 I CA 1.562 62.497 61.300 -0.609 0.000 1.355 122 I CB -1.943 35.725 38.000 -0.553 0.000 1.046 122 I HN 0.433 nan 8.210 nan 0.000 0.413 123 A N 1.006 123.647 122.820 -0.298 0.000 1.845 123 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 123 A C 2.628 180.148 177.584 -0.107 0.000 1.195 123 A CA 2.413 54.356 52.037 -0.155 0.000 0.616 123 A CB -1.080 17.871 19.000 -0.082 0.000 0.832 123 A HN 0.413 nan 8.150 nan 0.000 0.443 124 A N -0.199 122.560 122.820 -0.102 0.000 1.892 124 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 124 A C 2.545 180.097 177.584 -0.053 0.000 1.188 124 A CA 2.827 54.828 52.037 -0.060 0.000 0.631 124 A CB -1.252 17.716 19.000 -0.053 0.000 0.822 124 A HN 1.196 nan 8.150 nan 0.000 0.447 125 A N -0.804 121.955 122.820 -0.101 0.000 1.841 125 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 125 A C 1.933 179.542 177.584 0.041 0.000 1.199 125 A CA 1.763 53.765 52.037 -0.058 0.000 0.621 125 A CB -1.309 17.621 19.000 -0.117 0.000 0.835 125 A HN 0.758 nan 8.150 nan 0.000 0.445 126 H N -0.803 118.237 119.070 -0.051 0.000 2.426 126 H HA -0.106 4.450 4.556 -0.000 0.000 0.298 126 H C 2.338 177.641 175.328 -0.042 0.000 1.107 126 H CA 0.666 56.687 56.048 -0.045 0.000 1.298 126 H CB -0.018 29.720 29.762 -0.040 0.000 1.377 126 H HN 0.572 nan 8.280 nan 0.000 0.519 127 A N 0.681 123.554 122.820 0.089 0.000 2.067 127 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 127 A C 1.770 179.363 177.584 0.014 0.000 1.158 127 A CA 1.062 53.121 52.037 0.036 0.000 0.661 127 A CB 0.133 19.144 19.000 0.017 0.000 0.801 127 A HN 0.117 nan 8.150 nan 0.000 0.452 128 K N -0.192 120.216 120.400 0.013 0.000 2.440 128 K HA 0.112 4.432 4.320 -0.000 0.000 0.206 128 K C -0.280 176.313 176.600 -0.011 0.000 1.025 128 K CA -0.168 56.117 56.287 -0.003 0.000 1.135 128 K CB 0.140 32.636 32.500 -0.006 0.000 0.856 128 K HN 0.465 nan 8.250 nan 0.000 0.502 129 N N 0.504 119.201 118.700 -0.005 0.000 2.782 129 N HA -0.202 4.538 4.740 -0.000 0.000 0.251 129 N C -0.463 175.029 175.510 -0.029 0.000 1.101 129 N CA 0.695 53.726 53.050 -0.032 0.000 0.764 129 N CB -1.644 36.811 38.487 -0.054 0.000 1.122 129 N HN 0.298 nan 8.380 nan 0.000 0.561 130 I N 1.005 121.583 120.570 0.013 0.000 2.321 130 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 130 I C 0.888 177.059 176.117 0.091 0.000 0.998 130 I CA -0.412 60.904 61.300 0.026 0.000 1.227 130 I CB 1.139 39.153 38.000 0.023 0.000 1.368 130 I HN -0.163 nan 8.210 nan 0.000 0.466 131 K N 4.241 124.683 120.400 0.070 0.000 2.138 131 K HA 0.518 4.838 4.320 -0.000 0.000 0.251 131 K C -0.896 175.845 176.600 0.235 0.000 1.015 131 K CA -0.449 55.925 56.287 0.146 0.000 0.917 131 K CB 1.307 33.810 32.500 0.004 0.000 1.021 131 K HN 0.295 nan 8.250 nan 0.000 0.485 132 V N 3.637 123.715 119.914 0.274 0.000 2.444 132 V HA 0.400 4.520 4.120 -0.000 0.000 0.294 132 V C -0.450 175.807 176.094 0.273 0.000 1.022 132 V CA -0.753 61.667 62.300 0.200 0.000 0.850 132 V CB 1.246 33.079 31.823 0.016 0.000 0.992 132 V HN 0.561 nan 8.190 nan 0.000 0.426 133 I N 5.870 126.610 120.570 0.282 0.000 2.433 133 I HA 0.592 4.761 4.170 -0.000 0.000 0.292 133 I C -0.429 175.814 176.117 0.210 0.000 1.001 133 I CA -0.612 60.829 61.300 0.235 0.000 1.119 133 I CB 2.000 40.147 38.000 0.244 0.000 1.289 133 I HN 0.653 nan 8.210 nan 0.000 0.438 134 I N 1.521 122.163 120.570 0.121 0.000 2.530 134 I HA 0.551 4.721 4.170 -0.000 0.000 0.297 134 I C -0.310 175.840 176.117 0.055 0.000 1.011 134 I CA -0.597 60.777 61.300 0.123 0.000 1.107 134 I CB 1.324 39.362 38.000 0.063 0.000 1.285 134 I HN 0.343 nan 8.210 nan 0.000 0.436 135 D N 3.660 124.144 120.400 0.140 0.000 2.382 135 D HA 0.268 4.908 4.640 -0.000 0.000 0.240 135 D C -1.458 174.938 176.300 0.159 0.000 1.146 135 D CA 0.690 54.769 54.000 0.132 0.000 0.897 135 D CB 1.112 42.011 40.800 0.166 0.000 1.197 135 D HN 0.492 nan 8.370 nan 0.000 0.432 136 F N 0.569 120.511 119.950 -0.013 0.000 2.607 136 F HA 0.429 4.956 4.527 -0.000 0.000 0.322 136 F C -0.947 174.906 175.800 0.088 0.000 1.176 136 F CA -0.798 57.215 58.000 0.021 0.000 0.977 136 F CB 1.562 40.558 39.000 -0.007 0.000 1.242 136 F HN 0.252 nan 8.300 nan 0.000 0.465 137 A N 6.963 129.642 122.820 -0.236 0.000 3.165 137 A HA 0.530 4.850 4.320 -0.000 0.000 0.331 137 A C -2.380 175.029 177.584 -0.292 0.000 1.034 137 A CA -1.212 50.734 52.037 -0.151 0.000 0.906 137 A CB -0.400 18.612 19.000 0.019 0.000 1.054 137 A HN 0.451 nan 8.150 nan 0.000 0.484 138 P HA -0.080 nan 4.420 nan 0.000 0.244 138 P C 1.063 178.253 177.300 -0.184 0.000 1.211 138 P CA 0.779 63.627 63.100 -0.421 0.000 0.760 138 P CB 0.092 31.609 31.700 -0.304 0.000 0.961 139 N N 0.303 118.896 118.700 -0.177 0.000 2.109 139 N HA -0.117 4.622 4.740 -0.000 0.000 0.188 139 N C 0.960 176.443 175.510 -0.044 0.000 1.034 139 N CA 1.031 54.053 53.050 -0.047 0.000 0.846 139 N CB -0.023 38.499 38.487 0.059 0.000 1.010 139 N HN 0.231 nan 8.380 nan 0.000 0.425 140 H N -4.092 115.005 119.070 0.045 0.000 3.220 140 H HA 0.413 4.969 4.556 -0.000 0.000 0.299 140 H C 0.103 175.550 175.328 0.199 0.000 1.604 140 H CA -0.010 56.081 56.048 0.071 0.000 1.260 140 H CB 0.813 30.596 29.762 0.036 0.000 1.846 140 H HN 0.149 nan 8.280 nan 0.000 0.632 141 T N -1.135 113.660 114.554 0.401 0.000 3.479 141 T HA 0.331 4.680 4.350 -0.000 0.000 0.197 141 T C 0.541 175.449 174.700 0.347 0.000 0.912 141 T CA 0.645 62.952 62.100 0.344 0.000 1.281 141 T CB -0.444 68.635 68.868 0.351 0.000 1.588 141 T HN 0.796 nan 8.240 nan 0.000 0.389 142 S N 0.819 116.600 115.700 0.135 0.000 2.720 142 S HA 0.719 5.189 4.470 -0.000 0.000 0.287 142 S C -3.310 171.111 174.600 -0.298 0.000 1.168 142 S CA -1.596 56.553 58.200 -0.084 0.000 0.832 142 S CB 1.160 64.310 63.200 -0.083 0.000 1.166 142 S HN 0.227 nan 8.310 nan 0.000 0.493 143 P HA 0.493 nan 4.420 nan 0.000 0.266 143 P C -0.997 176.227 177.300 -0.128 0.000 1.195 143 P CA 0.315 63.241 63.100 -0.290 0.000 0.768 143 P CB 0.496 31.999 31.700 -0.329 0.000 0.838 144 A N 1.900 124.758 122.820 0.063 0.000 2.609 144 A HA 0.710 5.030 4.320 -0.000 0.000 0.291 144 A C -1.121 176.583 177.584 0.200 0.000 1.096 144 A CA -0.437 51.659 52.037 0.098 0.000 0.684 144 A CB 1.482 20.320 19.000 -0.271 0.000 1.282 144 A HN 0.324 nan 8.150 nan 0.000 0.412 145 S N -0.261 115.620 115.700 0.302 0.000 2.672 145 S HA 0.479 4.949 4.470 -0.000 0.000 0.291 145 S C 0.853 175.588 174.600 0.224 0.000 1.145 145 S CA 0.283 58.591 58.200 0.180 0.000 1.013 145 S CB 1.634 64.864 63.200 0.051 0.000 1.017 145 S HN 1.268 nan 8.310 nan 0.000 0.487 146 S N 3.492 119.327 115.700 0.225 0.000 2.368 146 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 146 S C 0.958 175.556 174.600 -0.003 0.000 1.030 146 S CA 2.430 60.656 58.200 0.043 0.000 0.999 146 S CB -0.415 62.752 63.200 -0.056 0.000 0.844 146 S HN 0.872 nan 8.310 nan 0.000 0.459 147 D N 0.180 120.585 120.400 0.007 0.000 2.162 147 D HA 0.046 4.686 4.640 -0.000 0.000 0.205 147 D C 1.006 177.312 176.300 0.009 0.000 0.964 147 D CA 0.537 54.531 54.000 -0.009 0.000 0.847 147 D CB -0.089 40.700 40.800 -0.017 0.000 0.988 147 D HN 0.189 nan 8.370 nan 0.000 0.480 148 Q N 0.747 120.565 119.800 0.030 0.000 2.901 148 Q HA 0.151 4.491 4.340 -0.000 0.000 0.265 148 Q C -1.901 174.165 176.000 0.109 0.000 1.263 148 Q CA -1.782 54.054 55.803 0.055 0.000 1.088 148 Q CB 1.144 29.906 28.738 0.040 0.000 1.339 148 Q HN 0.188 nan 8.270 nan 0.000 0.546 149 P HA -0.085 nan 4.420 nan 0.000 0.228 149 P C 0.881 178.224 177.300 0.071 0.000 1.151 149 P CA 0.856 64.000 63.100 0.074 0.000 0.770 149 P CB 0.294 32.015 31.700 0.035 0.000 0.786 150 S N -1.369 114.377 115.700 0.076 0.000 2.481 150 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 150 S C 0.567 175.210 174.600 0.073 0.000 0.996 150 S CA -0.149 58.086 58.200 0.059 0.000 0.942 150 S CB -1.136 62.096 63.200 0.054 0.000 0.768 150 S HN 0.106 nan 8.310 nan 0.000 0.520 151 F N 3.935 123.870 119.950 -0.025 0.000 2.502 151 F HA 0.513 5.040 4.527 -0.000 0.000 0.371 151 F C 0.862 176.624 175.800 -0.063 0.000 1.083 151 F CA -0.440 57.532 58.000 -0.046 0.000 1.174 151 F CB -0.556 38.416 39.000 -0.046 0.000 1.096 151 F HN 0.423 nan 8.300 nan 0.000 0.545 152 A N 4.865 127.189 122.820 -0.827 0.000 5.821 152 A HA -0.322 3.998 4.320 -0.000 0.000 0.282 152 A C 1.006 178.403 177.584 -0.312 0.000 2.032 152 A CA 1.153 52.767 52.037 -0.705 0.000 0.715 152 A CB -1.381 16.968 19.000 -1.084 0.000 1.178 152 A HN 0.803 nan 8.150 nan 0.000 0.370 153 E N 1.284 121.347 120.200 -0.229 0.000 2.394 153 E HA 0.179 4.529 4.350 -0.000 0.000 0.191 153 E C 0.570 177.148 176.600 -0.037 0.000 1.044 153 E CA 0.398 56.761 56.400 -0.063 0.000 0.939 153 E CB -0.272 29.438 29.700 0.017 0.000 1.089 153 E HN 0.653 nan 8.360 nan 0.000 0.456 154 N N 0.547 119.192 118.700 -0.091 0.000 2.714 154 N HA -0.223 4.517 4.740 -0.000 0.000 0.250 154 N C 0.589 176.048 175.510 -0.085 0.000 1.117 154 N CA 0.258 53.288 53.050 -0.034 0.000 0.719 154 N CB -0.839 37.654 38.487 0.010 0.000 1.081 154 N HN 0.522 nan 8.380 nan 0.000 0.557 155 G N 0.463 109.186 108.800 -0.128 0.000 2.321 155 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.287 155 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.287 155 G C 0.132 175.025 174.900 -0.011 0.000 1.018 155 G CA 0.762 45.776 45.100 -0.143 0.000 0.855 155 G HN 0.617 nan 8.290 nan 0.000 0.507 156 R N -0.937 119.609 120.500 0.077 0.000 2.449 156 R HA 0.331 4.671 4.340 -0.000 0.000 0.296 156 R C 0.259 176.679 176.300 0.200 0.000 1.047 156 R CA -0.541 55.633 56.100 0.123 0.000 1.018 156 R CB 0.535 30.894 30.300 0.099 0.000 0.962 156 R HN 0.221 nan 8.270 nan 0.000 0.428 157 L N 4.986 126.278 121.223 0.116 0.000 2.289 157 L HA 0.330 4.670 4.340 -0.000 0.000 0.285 157 L C -1.390 175.378 176.870 -0.170 0.000 1.049 157 L CA -0.322 54.566 54.840 0.080 0.000 0.804 157 L CB 0.716 42.775 42.059 -0.001 0.000 1.195 157 L HN 0.396 nan 8.230 nan 0.000 0.428 158 Y N 2.343 122.677 120.300 0.058 0.000 2.409 158 Y HA 0.376 4.926 4.550 -0.000 0.000 0.343 158 Y C -0.457 175.511 175.900 0.114 0.000 0.973 158 Y CA -1.040 57.101 58.100 0.069 0.000 1.064 158 Y CB 1.627 40.151 38.460 0.107 0.000 1.207 158 Y HN 0.557 nan 8.280 nan 0.000 0.452 159 D N 2.872 123.417 120.400 0.241 0.000 2.485 159 D HA 0.141 4.781 4.640 -0.000 0.000 0.229 159 D C -0.128 176.366 176.300 0.324 0.000 1.101 159 D CA -0.119 54.109 54.000 0.380 0.000 0.906 159 D CB -0.075 40.888 40.800 0.271 0.000 1.019 159 D HN 0.555 nan 8.370 nan 0.000 0.516 160 N N 3.471 122.370 118.700 0.331 0.000 2.725 160 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 160 N C 0.946 176.564 175.510 0.181 0.000 1.031 160 N CA 1.786 54.964 53.050 0.213 0.000 0.720 160 N CB -1.066 37.514 38.487 0.156 0.000 0.930 160 N HN 0.807 nan 8.380 nan 0.000 0.543 161 G N -2.664 106.267 108.800 0.219 0.000 2.308 161 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.221 161 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.221 161 G C 0.211 175.280 174.900 0.282 0.000 1.032 161 G CA 0.274 45.492 45.100 0.195 0.000 0.623 161 G HN 0.726 nan 8.290 nan 0.000 0.506 162 T N 2.911 117.605 114.554 0.233 0.000 2.794 162 T HA 0.534 4.884 4.350 -0.000 0.000 0.296 162 T C 0.531 175.303 174.700 0.118 0.000 0.949 162 T CA -0.354 61.847 62.100 0.168 0.000 1.101 162 T CB 1.859 70.789 68.868 0.103 0.000 0.905 162 T HN 0.429 nan 8.240 nan 0.000 0.516 163 L N 4.919 126.147 121.223 0.009 0.000 2.462 163 L HA 0.140 4.480 4.340 -0.000 0.000 0.272 163 L C 0.958 177.716 176.870 -0.188 0.000 1.166 163 L CA -0.075 54.585 54.840 -0.301 0.000 0.880 163 L CB 0.298 42.189 42.059 -0.281 0.000 1.142 163 L HN 0.772 nan 8.230 nan 0.000 0.473 164 L N 4.698 125.780 121.223 -0.235 0.000 2.168 164 L HA 0.252 4.592 4.340 -0.000 0.000 0.203 164 L C 0.955 177.744 176.870 -0.135 0.000 1.078 164 L CA 0.805 55.541 54.840 -0.172 0.000 0.780 164 L CB -0.054 41.852 42.059 -0.255 0.000 0.939 164 L HN 0.839 nan 8.230 nan 0.000 0.451 165 G N -1.586 107.132 108.800 -0.137 0.000 2.320 165 G HA2 0.401 4.361 3.960 -0.000 0.000 0.297 165 G HA3 0.401 4.361 3.960 -0.000 0.000 0.297 165 G C -1.417 173.535 174.900 0.087 0.000 1.344 165 G CA -0.190 44.896 45.100 -0.023 0.000 0.851 165 G HN 0.197 nan 8.290 nan 0.000 0.567 166 G N -2.081 106.808 108.800 0.149 0.000 2.730 166 G HA2 0.539 4.499 3.960 -0.000 0.000 0.289 166 G HA3 0.539 4.499 3.960 -0.000 0.000 0.289 166 G C 0.269 175.184 174.900 0.025 0.000 1.341 166 G CA -0.186 44.981 45.100 0.112 0.000 0.932 166 G HN 0.707 nan 8.290 nan 0.000 0.481 167 Y N 0.560 120.588 120.300 -0.453 0.000 2.165 167 Y HA -0.019 4.530 4.550 -0.000 0.000 0.286 167 Y C 2.082 177.925 175.900 -0.095 0.000 1.155 167 Y CA 1.778 59.583 58.100 -0.493 0.000 1.164 167 Y CB -0.239 37.897 38.460 -0.540 0.000 0.978 167 Y HN 0.362 nan 8.280 nan 0.000 0.513 168 T N 1.509 116.020 114.554 -0.071 0.000 2.899 168 T HA 0.021 4.371 4.350 -0.000 0.000 0.295 168 T C 0.257 174.900 174.700 -0.095 0.000 1.033 168 T CA -0.213 61.824 62.100 -0.104 0.000 1.084 168 T CB 0.359 69.203 68.868 -0.039 0.000 0.979 168 T HN 0.284 nan 8.240 nan 0.000 0.532 169 N N 1.703 120.329 118.700 -0.123 0.000 2.714 169 N HA -0.162 4.578 4.740 -0.000 0.000 0.252 169 N C -0.609 174.852 175.510 -0.082 0.000 1.014 169 N CA 0.362 53.350 53.050 -0.102 0.000 0.735 169 N CB -0.647 37.803 38.487 -0.061 0.000 0.924 169 N HN 0.681 nan 8.380 nan 0.000 0.540 170 D N 0.055 120.383 120.400 -0.120 0.000 2.608 170 D HA 0.107 4.747 4.640 -0.000 0.000 0.224 170 D C 1.671 177.939 176.300 -0.054 0.000 1.123 170 D CA 0.336 54.332 54.000 -0.007 0.000 1.030 170 D CB 0.087 40.989 40.800 0.169 0.000 1.093 170 D HN 0.395 nan 8.370 nan 0.000 0.497 171 T N -0.211 114.314 114.554 -0.048 0.000 2.821 171 T HA -0.226 4.123 4.350 -0.000 0.000 0.267 171 T C 1.621 176.301 174.700 -0.033 0.000 1.046 171 T CA 1.004 63.072 62.100 -0.053 0.000 1.139 171 T CB -0.217 68.623 68.868 -0.046 0.000 0.871 171 T HN 0.307 nan 8.240 nan 0.000 0.454 172 Q N 0.985 120.775 119.800 -0.017 0.000 2.364 172 Q HA 0.127 4.467 4.340 -0.000 0.000 0.207 172 Q C 0.470 176.458 176.000 -0.020 0.000 0.970 172 Q CA 0.455 56.244 55.803 -0.023 0.000 0.888 172 Q CB -0.282 28.434 28.738 -0.036 0.000 0.951 172 Q HN 0.652 nan 8.270 nan 0.000 0.469 173 N N -0.882 117.827 118.700 0.015 0.000 2.771 173 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 173 N C -0.256 175.239 175.510 -0.025 0.000 1.069 173 N CA 0.009 53.093 53.050 0.057 0.000 0.688 173 N CB -0.986 37.517 38.487 0.027 0.000 0.928 173 N HN 0.201 nan 8.380 nan 0.000 0.551 174 L N -1.157 120.020 121.223 -0.077 0.000 2.395 174 L HA 0.177 4.517 4.340 -0.000 0.000 0.218 174 L C 0.353 176.812 176.870 -0.685 0.000 1.130 174 L CA 0.790 55.383 54.840 -0.411 0.000 0.826 174 L CB -0.040 41.685 42.059 -0.556 0.000 0.941 174 L HN 0.189 nan 8.230 nan 0.000 0.451 175 F N -2.664 117.250 119.950 -0.060 0.000 2.618 175 F HA 0.399 4.926 4.527 -0.000 0.000 0.332 175 F C 0.345 176.007 175.800 -0.231 0.000 1.061 175 F CA -0.980 56.924 58.000 -0.159 0.000 0.974 175 F CB 0.855 39.867 39.000 0.020 0.000 1.310 175 F HN -0.244 nan 8.300 nan 0.000 0.491 176 H N -0.241 118.806 119.070 -0.038 0.000 2.483 176 H HA 0.375 4.931 4.556 -0.000 0.000 0.338 176 H C -0.651 174.482 175.328 -0.326 0.000 1.152 176 H CA -0.586 55.422 56.048 -0.067 0.000 1.264 176 H CB 0.954 30.708 29.762 -0.014 0.000 1.510 176 H HN 0.497 nan 8.280 nan 0.000 0.530 177 H N 2.163 121.358 119.070 0.208 0.000 2.624 177 H HA 0.119 4.675 4.556 -0.000 0.000 0.233 177 H C -0.240 175.110 175.328 0.036 0.000 1.376 177 H CA -0.252 55.856 56.048 0.100 0.000 1.137 177 H CB 0.267 30.002 29.762 -0.046 0.000 1.867 177 H HN 0.619 nan 8.280 nan 0.000 0.547 178 N N 1.037 119.784 118.700 0.079 0.000 2.238 178 N HA 0.147 4.887 4.740 -0.000 0.000 0.222 178 N C 1.242 176.740 175.510 -0.021 0.000 1.133 178 N CA 0.668 53.716 53.050 -0.005 0.000 0.854 178 N CB 1.776 40.220 38.487 -0.071 0.000 1.041 178 N HN 0.693 nan 8.380 nan 0.000 0.510 179 G N -0.195 108.611 108.800 0.010 0.000 2.584 179 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.229 179 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.229 179 G C -0.076 174.786 174.900 -0.063 0.000 1.320 179 G CA -0.500 44.589 45.100 -0.018 0.000 0.891 179 G HN 0.453 nan 8.290 nan 0.000 0.573 180 G N -1.214 107.528 108.800 -0.096 0.000 2.441 180 G HA2 0.743 4.703 3.960 -0.000 0.000 0.334 180 G HA3 0.743 4.703 3.960 -0.000 0.000 0.334 180 G C 0.141 174.915 174.900 -0.210 0.000 1.161 180 G CA 1.030 46.035 45.100 -0.160 0.000 0.935 180 G HN 1.507 nan 8.290 nan 0.000 0.488 181 T N -1.583 112.763 114.554 -0.346 0.000 2.913 181 T HA 0.333 4.683 4.350 -0.000 0.000 0.287 181 T C 0.663 175.107 174.700 -0.427 0.000 1.008 181 T CA 0.029 61.867 62.100 -0.438 0.000 1.067 181 T CB 1.231 69.707 68.868 -0.655 0.000 0.996 181 T HN 0.542 nan 8.240 nan 0.000 0.513 182 D N 1.378 121.621 120.400 -0.261 0.000 2.433 182 D HA 0.104 4.744 4.640 -0.000 0.000 0.211 182 D C 0.585 177.002 176.300 0.195 0.000 1.114 182 D CA -0.350 53.646 54.000 -0.007 0.000 0.837 182 D CB -0.630 40.176 40.800 0.010 0.000 0.984 182 D HN 0.610 nan 8.370 nan 0.000 0.505 183 F N 0.251 120.156 119.950 -0.074 0.000 2.914 183 F HA -0.330 4.197 4.527 -0.000 0.000 0.304 183 F C 1.988 177.756 175.800 -0.054 0.000 0.712 183 F CA 0.686 58.648 58.000 -0.064 0.000 1.211 183 F CB -2.446 36.525 39.000 -0.048 0.000 1.515 183 F HN 0.174 nan 8.300 nan 0.000 0.350 184 S N -0.729 115.014 115.700 0.072 0.000 2.368 184 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 184 S C 1.012 175.622 174.600 0.016 0.000 1.030 184 S CA 1.398 59.622 58.200 0.040 0.000 0.999 184 S CB -0.194 63.011 63.200 0.008 0.000 0.844 184 S HN 0.688 nan 8.310 nan 0.000 0.459 185 T N -3.475 111.062 114.554 -0.028 0.000 2.901 185 T HA 0.535 4.885 4.350 -0.000 0.000 0.293 185 T C 0.613 175.260 174.700 -0.089 0.000 1.084 185 T CA -0.247 61.831 62.100 -0.037 0.000 1.008 185 T CB 1.342 70.178 68.868 -0.053 0.000 1.170 185 T HN -0.044 nan 8.240 nan 0.000 0.509 186 T N 0.416 114.931 114.554 -0.065 0.000 2.867 186 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 186 T C 1.631 176.150 174.700 -0.301 0.000 1.057 186 T CA 1.667 63.690 62.100 -0.128 0.000 1.136 186 T CB -0.275 68.623 68.868 0.051 0.000 0.874 186 T HN 0.837 nan 8.240 nan 0.000 0.466 187 E N 1.194 121.154 120.200 -0.401 0.000 2.216 187 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 187 E C 2.201 178.612 176.600 -0.314 0.000 0.988 187 E CA 0.583 56.571 56.400 -0.687 0.000 0.834 187 E CB -0.178 28.833 29.700 -1.148 0.000 0.772 187 E HN 0.354 nan 8.360 nan 0.000 0.479 188 N N 1.079 119.632 118.700 -0.245 0.000 2.058 188 N HA -0.128 4.612 4.740 -0.000 0.000 0.191 188 N C 1.905 177.271 175.510 -0.241 0.000 1.037 188 N CA 1.829 54.764 53.050 -0.192 0.000 0.848 188 N CB -0.529 37.861 38.487 -0.161 0.000 1.021 188 N HN 0.243 nan 8.380 nan 0.000 0.422 189 G N 0.076 108.700 108.800 -0.293 0.000 2.776 189 G HA2 0.059 4.019 3.960 -0.000 0.000 0.209 189 G HA3 0.059 4.019 3.960 -0.000 0.000 0.209 189 G C 1.595 176.332 174.900 -0.271 0.000 1.145 189 G CA 0.005 44.912 45.100 -0.322 0.000 0.791 189 G HN 0.367 nan 8.290 nan 0.000 0.530 190 I N -1.558 118.790 120.570 -0.370 0.000 2.947 190 I HA 0.113 4.283 4.170 -0.000 0.000 0.263 190 I C 1.295 177.050 176.117 -0.603 0.000 1.130 190 I CA 0.313 61.305 61.300 -0.514 0.000 1.448 190 I CB 0.203 37.756 38.000 -0.746 0.000 1.222 190 I HN 0.070 nan 8.210 nan 0.000 0.453 191 Y N 1.803 121.945 120.300 -0.265 0.000 2.470 191 Y HA 0.244 4.794 4.550 -0.000 0.000 0.284 191 Y C 0.505 176.195 175.900 -0.350 0.000 1.188 191 Y CA -0.011 57.845 58.100 -0.407 0.000 1.269 191 Y CB -0.188 38.014 38.460 -0.429 0.000 1.094 191 Y HN -0.045 nan 8.280 nan 0.000 0.518 192 K N 0.395 120.699 120.400 -0.160 0.000 2.340 192 K HA 0.309 4.629 4.320 -0.000 0.000 0.244 192 K C -0.850 175.656 176.600 -0.158 0.000 0.973 192 K CA -1.240 54.961 56.287 -0.144 0.000 0.828 192 K CB 1.113 33.507 32.500 -0.178 0.000 1.226 192 K HN -0.110 nan 8.250 nan 0.000 0.437 193 N N 1.790 120.401 118.700 -0.148 0.000 2.475 193 N HA 0.049 4.789 4.740 -0.000 0.000 0.267 193 N C -0.308 175.015 175.510 -0.311 0.000 1.169 193 N CA -0.028 52.910 53.050 -0.187 0.000 0.947 193 N CB 0.362 38.741 38.487 -0.180 0.000 1.061 193 N HN 0.414 nan 8.380 nan 0.000 0.466 194 L N 4.626 125.624 121.223 -0.374 0.000 2.500 194 L HA -0.024 4.316 4.340 -0.000 0.000 0.272 194 L C 0.092 176.657 176.870 -0.508 0.000 1.149 194 L CA 0.276 54.740 54.840 -0.627 0.000 0.897 194 L CB -0.487 41.219 42.059 -0.588 0.000 1.178 194 L HN 0.592 nan 8.230 nan 0.000 0.473 195 Y N 1.762 121.926 120.300 -0.227 0.000 2.877 195 Y HA -0.410 4.140 4.550 -0.000 0.000 0.467 195 Y C 1.303 177.085 175.900 -0.196 0.000 1.184 195 Y CA 1.156 59.147 58.100 -0.181 0.000 2.567 195 Y CB -1.058 37.296 38.460 -0.177 0.000 1.217 195 Y HN 0.813 nan 8.280 nan 0.000 0.629 196 D N 0.654 121.054 120.400 0.000 0.000 2.402 196 D HA 0.244 4.884 4.640 -0.000 0.000 0.216 196 D C -0.270 175.924 176.300 -0.176 0.000 1.128 196 D CA 0.077 54.021 54.000 -0.094 0.000 0.833 196 D CB -0.623 40.147 40.800 -0.050 0.000 0.971 196 D HN 0.406 nan 8.370 nan 0.000 0.503 197 L N 1.259 122.354 121.223 -0.213 0.000 2.361 197 L HA 0.407 4.747 4.340 -0.000 0.000 0.278 197 L C 0.732 177.423 176.870 -0.300 0.000 1.113 197 L CA -0.997 53.668 54.840 -0.291 0.000 0.849 197 L CB 0.785 42.556 42.059 -0.480 0.000 1.155 197 L HN 0.007 nan 8.230 nan 0.000 0.452 198 A N 2.885 125.477 122.820 -0.380 0.000 2.550 198 A HA -0.074 4.246 4.320 -0.000 0.000 0.263 198 A C 0.089 177.663 177.584 -0.017 0.000 1.065 198 A CA -0.038 51.686 52.037 -0.522 0.000 0.786 198 A CB -0.448 18.145 19.000 -0.678 0.000 0.985 198 A HN 0.763 nan 8.150 nan 0.000 0.518 199 D N 2.689 123.077 120.400 -0.019 0.000 2.338 199 D HA 0.359 4.999 4.640 -0.000 0.000 0.255 199 D C 0.179 176.477 176.300 -0.003 0.000 1.237 199 D CA 0.075 54.106 54.000 0.052 0.000 0.883 199 D CB 0.273 41.110 40.800 0.063 0.000 1.087 199 D HN 0.509 nan 8.370 nan 0.000 0.485 200 L N 3.469 124.588 121.223 -0.174 0.000 2.461 200 L HA 0.086 4.426 4.340 -0.000 0.000 0.272 200 L C 0.605 176.951 176.870 -0.874 0.000 1.197 200 L CA -0.122 54.380 54.840 -0.565 0.000 0.836 200 L CB 0.378 42.046 42.059 -0.652 0.000 1.105 200 L HN 0.463 nan 8.230 nan 0.000 0.477 201 N N 0.732 118.886 118.700 -0.909 0.000 2.699 201 N HA 0.135 4.875 4.740 -0.000 0.000 0.232 201 N C 0.526 175.648 175.510 -0.646 0.000 1.027 201 N CA -0.331 52.187 53.050 -0.886 0.000 0.920 201 N CB 0.397 38.503 38.487 -0.635 0.000 1.148 201 N HN 0.429 nan 8.380 nan 0.000 0.509 202 H N 1.039 119.829 119.070 -0.467 0.000 2.518 202 H HA -0.058 4.498 4.556 -0.000 0.000 0.292 202 H C 1.235 176.467 175.328 -0.161 0.000 1.068 202 H CA 1.016 56.757 56.048 -0.513 0.000 1.275 202 H CB 0.189 29.218 29.762 -1.222 0.000 1.375 202 H HN 0.525 nan 8.280 nan 0.000 0.563 203 N N 0.733 119.451 118.700 0.029 0.000 2.512 203 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 203 N C 0.174 175.718 175.510 0.057 0.000 1.073 203 N CA 0.043 53.159 53.050 0.110 0.000 0.911 203 N CB -0.033 38.541 38.487 0.144 0.000 0.964 203 N HN 0.257 nan 8.380 nan 0.000 0.447 204 N N 0.151 118.835 118.700 -0.025 0.000 2.470 204 N HA 0.014 4.754 4.740 -0.000 0.000 0.268 204 N C 0.249 175.767 175.510 0.014 0.000 1.136 204 N CA 0.183 53.213 53.050 -0.034 0.000 0.961 204 N CB 1.138 39.553 38.487 -0.120 0.000 1.067 204 N HN -0.005 nan 8.380 nan 0.000 0.468 205 S N 2.541 118.266 115.700 0.041 0.000 2.387 205 S HA -0.134 4.336 4.470 -0.000 0.000 0.230 205 S C 1.563 176.210 174.600 0.077 0.000 1.035 205 S CA 1.732 59.978 58.200 0.075 0.000 1.014 205 S CB -0.088 63.151 63.200 0.064 0.000 0.836 205 S HN 0.741 nan 8.310 nan 0.000 0.466 206 T N 1.644 116.218 114.554 0.033 0.000 2.708 206 T HA -0.064 4.285 4.350 -0.000 0.000 0.266 206 T C 1.909 176.643 174.700 0.057 0.000 1.037 206 T CA 1.310 63.430 62.100 0.033 0.000 1.146 206 T CB -0.439 68.409 68.868 -0.032 0.000 0.865 206 T HN 0.187 nan 8.240 nan 0.000 0.435 207 V N 1.885 121.784 119.914 -0.025 0.000 2.295 207 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 207 V C 2.385 178.568 176.094 0.148 0.000 1.049 207 V CA 2.271 64.541 62.300 -0.050 0.000 1.024 207 V CB -0.667 30.994 31.823 -0.269 0.000 0.648 207 V HN 0.586 nan 8.190 nan 0.000 0.447 208 D N -0.224 120.299 120.400 0.206 0.000 2.097 208 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 208 D C 1.970 178.492 176.300 0.370 0.000 0.989 208 D CA 1.718 55.980 54.000 0.436 0.000 0.827 208 D CB -0.127 40.935 40.800 0.438 0.000 0.966 208 D HN 0.190 nan 8.370 nan 0.000 0.456 209 V N -0.191 119.870 119.914 0.245 0.000 2.427 209 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 209 V C 2.106 178.317 176.094 0.194 0.000 1.051 209 V CA 1.753 64.163 62.300 0.184 0.000 1.048 209 V CB -0.871 31.032 31.823 0.133 0.000 0.666 209 V HN 0.358 nan 8.190 nan 0.000 0.456 210 Y N 0.493 120.857 120.300 0.107 0.000 2.181 210 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 210 Y C 2.115 178.100 175.900 0.142 0.000 1.146 210 Y CA 1.673 59.831 58.100 0.098 0.000 1.164 210 Y CB -0.133 38.359 38.460 0.054 0.000 0.982 210 Y HN 0.166 nan 8.280 nan 0.000 0.515 211 L N -0.078 121.289 121.223 0.240 0.000 2.291 211 L HA -0.109 4.231 4.340 -0.000 0.000 0.214 211 L C 2.317 179.427 176.870 0.399 0.000 1.120 211 L CA 1.086 56.068 54.840 0.237 0.000 0.799 211 L CB -0.312 41.962 42.059 0.358 0.000 0.925 211 L HN 0.102 nan 8.230 nan 0.000 0.446 212 K N -0.252 120.331 120.400 0.306 0.000 2.137 212 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 212 K C 1.501 178.093 176.600 -0.013 0.000 1.052 212 K CA 0.976 57.356 56.287 0.155 0.000 0.961 212 K CB 0.171 32.727 32.500 0.093 0.000 0.741 212 K HN 0.142 nan 8.250 nan 0.000 0.452 213 D N 0.405 120.784 120.400 -0.035 0.000 2.149 213 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 213 D C 1.676 177.914 176.300 -0.104 0.000 0.972 213 D CA 1.012 54.952 54.000 -0.100 0.000 0.835 213 D CB -0.111 40.642 40.800 -0.079 0.000 0.966 213 D HN 0.183 nan 8.370 nan 0.000 0.476 214 A N 0.764 123.516 122.820 -0.114 0.000 1.865 214 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 214 A C 2.216 179.933 177.584 0.222 0.000 1.191 214 A CA 1.094 53.137 52.037 0.010 0.000 0.623 214 A CB -0.858 18.145 19.000 0.005 0.000 0.826 214 A HN 0.256 nan 8.150 nan 0.000 0.444 215 I N -0.684 120.018 120.570 0.220 0.000 2.756 215 I HA -0.157 4.013 4.170 -0.000 0.000 0.262 215 I C 1.886 178.032 176.117 0.047 0.000 1.225 215 I CA 1.045 62.415 61.300 0.118 0.000 1.472 215 I CB 0.011 37.928 38.000 -0.138 0.000 1.094 215 I HN 0.152 nan 8.210 nan 0.000 0.454 216 K N -0.041 120.330 120.400 -0.049 0.000 2.103 216 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 216 K C 2.029 178.619 176.600 -0.017 0.000 1.052 216 K CA 1.650 57.878 56.287 -0.098 0.000 0.945 216 K CB -0.505 31.788 32.500 -0.345 0.000 0.722 216 K HN 0.421 nan 8.250 nan 0.000 0.443 217 M N -0.115 119.428 119.600 -0.096 0.000 2.073 217 M HA -0.200 4.280 4.480 -0.000 0.000 0.258 217 M C 1.732 177.879 176.300 -0.256 0.000 1.070 217 M CA 2.015 57.173 55.300 -0.237 0.000 1.103 217 M CB -0.395 31.943 32.600 -0.438 0.000 1.321 217 M HN 0.135 nan 8.290 nan 0.000 0.405 218 W N 0.494 121.786 121.300 -0.014 0.000 2.388 218 W HA -0.022 4.637 4.660 -0.000 0.000 0.294 218 W C 2.068 178.618 176.519 0.051 0.000 1.212 218 W CA 0.776 58.110 57.345 -0.018 0.000 1.271 218 W CB -0.570 28.867 29.460 -0.039 0.000 1.126 218 W HN 0.225 nan 8.180 nan 0.000 0.535 219 L N -0.101 121.262 121.223 0.233 0.000 2.141 219 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 219 L C 1.938 178.911 176.870 0.172 0.000 1.094 219 L CA 1.088 56.048 54.840 0.200 0.000 0.763 219 L CB -0.622 41.569 42.059 0.221 0.000 0.908 219 L HN -0.080 nan 8.230 nan 0.000 0.437 220 D N 0.008 120.496 120.400 0.146 0.000 2.149 220 D HA -0.091 4.549 4.640 -0.000 0.000 0.201 220 D C 2.351 178.704 176.300 0.087 0.000 0.972 220 D CA 0.998 55.060 54.000 0.103 0.000 0.835 220 D CB -0.008 40.828 40.800 0.061 0.000 0.966 220 D HN 0.247 nan 8.370 nan 0.000 0.476 221 L N -0.517 120.760 121.223 0.091 0.000 2.265 221 L HA -0.017 4.323 4.340 -0.000 0.000 0.215 221 L C 1.576 178.580 176.870 0.224 0.000 1.117 221 L CA 1.111 56.042 54.840 0.152 0.000 0.782 221 L CB -0.111 42.049 42.059 0.168 0.000 0.914 221 L HN 0.220 nan 8.230 nan 0.000 0.441 222 G N 0.046 108.980 108.800 0.224 0.000 2.183 222 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.168 222 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.168 222 G C 0.398 175.451 174.900 0.256 0.000 1.008 222 G CA -0.063 45.165 45.100 0.213 0.000 0.677 222 G HN 0.322 nan 8.290 nan 0.000 0.498 223 I N -1.538 119.208 120.570 0.293 0.000 2.948 223 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 223 I C 0.444 176.721 176.117 0.268 0.000 1.226 223 I CA 0.452 61.922 61.300 0.284 0.000 1.413 223 I CB 0.583 38.765 38.000 0.303 0.000 1.352 223 I HN -0.020 nan 8.210 nan 0.000 0.597 224 D N 3.602 124.189 120.400 0.312 0.000 2.379 224 D HA 0.288 4.928 4.640 -0.000 0.000 0.208 224 D C 0.654 177.237 176.300 0.472 0.000 1.065 224 D CA 0.342 54.560 54.000 0.363 0.000 0.848 224 D CB 1.226 42.250 40.800 0.373 0.000 0.949 224 D HN 0.860 nan 8.370 nan 0.000 0.509 225 G N 0.444 109.435 108.800 0.318 0.000 2.506 225 G HA2 0.538 4.497 3.960 -0.000 0.000 0.292 225 G HA3 0.538 4.497 3.960 -0.000 0.000 0.292 225 G C -1.886 173.018 174.900 0.006 0.000 1.425 225 G CA -0.727 44.472 45.100 0.165 0.000 0.788 225 G HN 0.009 nan 8.290 nan 0.000 0.490 226 I N 0.315 120.784 120.570 -0.167 0.000 2.569 226 I HA 0.465 4.635 4.170 -0.000 0.000 0.290 226 I C -0.426 175.310 176.117 -0.636 0.000 1.088 226 I CA -0.964 60.179 61.300 -0.263 0.000 1.047 226 I CB 2.482 40.387 38.000 -0.159 0.000 1.237 226 I HN 0.299 nan 8.210 nan 0.000 0.421 227 R N 7.348 127.415 120.500 -0.722 0.000 2.280 227 R HA 0.393 4.733 4.340 -0.000 0.000 0.326 227 R C -0.866 175.161 176.300 -0.455 0.000 1.080 227 R CA -0.726 54.683 56.100 -1.151 0.000 1.002 227 R CB 0.616 30.044 30.300 -1.453 0.000 1.136 227 R HN 0.562 nan 8.270 nan 0.000 0.509 228 M N 2.914 122.318 119.600 -0.326 0.000 2.246 228 M HA 0.016 4.496 4.480 -0.000 0.000 0.350 228 M C 0.385 176.715 176.300 0.049 0.000 1.406 228 M CA -0.057 55.230 55.300 -0.022 0.000 1.089 228 M CB -0.173 32.458 32.600 0.051 0.000 1.782 228 M HN 0.323 nan 8.290 nan 0.000 0.457 229 N N 2.286 121.057 118.700 0.119 0.000 2.518 229 N HA 0.447 5.187 4.740 -0.000 0.000 0.283 229 N C -0.244 175.343 175.510 0.127 0.000 1.119 229 N CA 0.404 53.551 53.050 0.162 0.000 0.983 229 N CB 0.757 39.383 38.487 0.231 0.000 1.139 229 N HN 0.791 nan 8.380 nan 0.000 0.465 230 A N 1.907 124.808 122.820 0.136 0.000 2.362 230 A HA -0.151 4.169 4.320 -0.000 0.000 0.290 230 A C 1.248 178.907 177.584 0.126 0.000 1.441 230 A CA 0.950 53.074 52.037 0.144 0.000 0.743 230 A CB -2.238 16.817 19.000 0.092 0.000 1.125 230 A HN 1.110 nan 8.150 nan 0.000 0.378 231 V N -0.969 118.990 119.914 0.074 0.000 2.667 231 V HA -0.081 4.039 4.120 -0.000 0.000 0.252 231 V C 1.951 177.938 176.094 -0.178 0.000 1.065 231 V CA 2.360 64.665 62.300 0.009 0.000 1.083 231 V CB -0.564 31.279 31.823 0.032 0.000 0.692 231 V HN 0.707 nan 8.190 nan 0.000 0.468 232 K N -0.552 119.582 120.400 -0.443 0.000 2.439 232 K HA -0.058 4.262 4.320 -0.000 0.000 0.197 232 K C 1.629 177.844 176.600 -0.642 0.000 1.041 232 K CA 0.998 56.753 56.287 -0.888 0.000 0.970 232 K CB -0.178 31.458 32.500 -1.439 0.000 0.773 232 K HN 0.714 nan 8.250 nan 0.000 0.479 233 H N -0.866 118.073 119.070 -0.218 0.000 2.542 233 H HA 0.227 4.783 4.556 -0.000 0.000 0.283 233 H C -0.253 174.963 175.328 -0.186 0.000 1.059 233 H CA 0.042 55.958 56.048 -0.220 0.000 1.162 233 H CB 0.334 29.979 29.762 -0.195 0.000 1.539 233 H HN 0.141 nan 8.280 nan 0.000 0.543 234 M N 1.061 120.636 119.600 -0.041 0.000 2.530 234 M HA 0.338 4.818 4.480 -0.000 0.000 0.307 234 M C -2.614 173.666 176.300 -0.033 0.000 1.161 234 M CA -1.961 53.314 55.300 -0.041 0.000 0.903 234 M CB 2.987 35.603 32.600 0.028 0.000 1.711 234 M HN -0.184 nan 8.290 nan 0.000 0.451 235 P HA -0.007 nan 4.420 nan 0.000 0.266 235 P C -0.205 177.258 177.300 0.271 0.000 1.195 235 P CA 0.078 63.137 63.100 -0.069 0.000 0.768 235 P CB 0.251 32.008 31.700 0.094 0.000 0.838 236 F N 1.619 121.720 119.950 0.252 0.000 2.187 236 F HA 0.034 4.561 4.527 -0.000 0.000 0.295 236 F C 2.522 178.480 175.800 0.264 0.000 1.091 236 F CA 1.404 59.632 58.000 0.379 0.000 1.308 236 F CB -2.135 37.160 39.000 0.492 0.000 1.030 236 F HN 0.366 nan 8.300 nan 0.000 0.487 237 G N -0.882 108.129 108.800 0.353 0.000 2.440 237 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.218 237 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.218 237 G C 1.615 176.661 174.900 0.244 0.000 1.154 237 G CA 0.709 45.967 45.100 0.263 0.000 0.767 237 G HN 0.476 nan 8.290 nan 0.000 0.552 238 W N 1.465 122.846 121.300 0.136 0.000 2.358 238 W HA -0.102 4.558 4.660 -0.000 0.000 0.303 238 W C 2.851 179.444 176.519 0.124 0.000 1.208 238 W CA 1.792 59.202 57.345 0.107 0.000 1.274 238 W CB -0.098 29.383 29.460 0.034 0.000 1.138 238 W HN 0.308 nan 8.180 nan 0.000 0.515 239 Q N 0.222 120.195 119.800 0.288 0.000 2.124 239 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 239 Q C 2.176 178.163 176.000 -0.022 0.000 0.977 239 Q CA 1.842 57.723 55.803 0.131 0.000 0.850 239 Q CB -0.511 28.479 28.738 0.420 0.000 0.901 239 Q HN 0.365 nan 8.270 nan 0.000 0.429 240 K N 0.930 121.335 120.400 0.009 0.000 2.026 240 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 240 K C 2.365 178.902 176.600 -0.106 0.000 1.048 240 K CA 1.593 57.850 56.287 -0.051 0.000 0.929 240 K CB -0.128 32.368 32.500 -0.007 0.000 0.713 240 K HN 0.190 nan 8.250 nan 0.000 0.439 241 S N -0.087 115.527 115.700 -0.144 0.000 2.419 241 S HA -0.189 4.281 4.470 -0.000 0.000 0.233 241 S C 1.868 176.279 174.600 -0.316 0.000 1.016 241 S CA 0.954 59.032 58.200 -0.202 0.000 0.974 241 S CB -0.563 62.530 63.200 -0.177 0.000 0.786 241 S HN 0.444 nan 8.310 nan 0.000 0.492 242 F N 2.021 121.580 119.950 -0.651 0.000 2.163 242 F HA 0.151 4.678 4.527 -0.000 0.000 0.297 242 F C 2.265 177.876 175.800 -0.314 0.000 1.094 242 F CA 1.317 58.937 58.000 -0.634 0.000 1.290 242 F CB -0.260 38.170 39.000 -0.950 0.000 1.017 242 F HN 0.115 nan 8.300 nan 0.000 0.483 243 M N 0.262 119.767 119.600 -0.158 0.000 2.374 243 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 243 M C 2.380 178.570 176.300 -0.183 0.000 1.067 243 M CA 1.280 56.489 55.300 -0.153 0.000 1.103 243 M CB -1.919 30.640 32.600 -0.068 0.000 1.402 243 M HN 0.340 nan 8.290 nan 0.000 0.444 244 A N 0.291 123.003 122.820 -0.179 0.000 1.872 244 A HA 0.081 4.401 4.320 -0.000 0.000 0.214 244 A C 2.463 179.958 177.584 -0.147 0.000 1.187 244 A CA 1.807 53.763 52.037 -0.135 0.000 0.614 244 A CB -0.835 18.102 19.000 -0.106 0.000 0.826 244 A HN 0.434 nan 8.150 nan 0.000 0.442 245 A N -0.424 122.262 122.820 -0.224 0.000 1.883 245 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 245 A C 2.254 179.720 177.584 -0.195 0.000 1.186 245 A CA 1.913 53.817 52.037 -0.221 0.000 0.624 245 A CB -1.066 17.744 19.000 -0.317 0.000 0.822 245 A HN 0.375 nan 8.150 nan 0.000 0.444 246 V N 1.022 120.741 119.914 -0.325 0.000 2.233 246 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 246 V C 2.304 178.358 176.094 -0.067 0.000 1.050 246 V CA 2.344 64.514 62.300 -0.216 0.000 1.010 246 V CB -1.052 30.582 31.823 -0.314 0.000 0.637 246 V HN 0.585 nan 8.190 nan 0.000 0.444 247 N N 0.776 119.428 118.700 -0.080 0.000 2.166 247 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 247 N C 1.439 176.947 175.510 -0.004 0.000 1.019 247 N CA 1.131 54.163 53.050 -0.029 0.000 0.856 247 N CB -0.565 37.902 38.487 -0.035 0.000 0.993 247 N HN 0.469 nan 8.380 nan 0.000 0.426 248 N N -0.480 118.218 118.700 -0.004 0.000 2.461 248 N HA -0.060 4.680 4.740 -0.000 0.000 0.188 248 N C 0.752 176.308 175.510 0.077 0.000 1.134 248 N CA 0.210 53.273 53.050 0.022 0.000 0.878 248 N CB 0.229 38.718 38.487 0.005 0.000 0.972 248 N HN 0.401 nan 8.380 nan 0.000 0.456 249 Y N 0.572 120.832 120.300 -0.065 0.000 2.891 249 Y HA 0.356 4.906 4.550 -0.000 0.000 0.228 249 Y C -0.371 175.505 175.900 -0.039 0.000 1.000 249 Y CA 0.445 58.511 58.100 -0.057 0.000 1.491 249 Y CB 0.602 39.013 38.460 -0.080 0.000 1.394 249 Y HN -0.338 nan 8.280 nan 0.000 0.477 250 K N 2.480 122.767 120.400 -0.188 0.000 2.664 250 K HA 0.331 4.651 4.320 -0.000 0.000 0.234 250 K C -2.939 173.634 176.600 -0.045 0.000 0.980 250 K CA -2.237 53.903 56.287 -0.244 0.000 0.996 250 K CB 1.851 34.136 32.500 -0.359 0.000 1.190 250 K HN 0.059 nan 8.250 nan 0.000 0.479 251 P HA 0.090 nan 4.420 nan 0.000 0.276 251 P C -0.645 176.696 177.300 0.067 0.000 1.235 251 P CA -0.424 62.689 63.100 0.023 0.000 0.772 251 P CB 1.138 32.860 31.700 0.038 0.000 0.871 252 V N 0.820 120.788 119.914 0.091 0.000 2.888 252 V HA 0.459 4.579 4.120 -0.000 0.000 0.309 252 V C -0.398 175.820 176.094 0.207 0.000 1.114 252 V CA -1.388 61.016 62.300 0.174 0.000 0.940 252 V CB 1.575 33.493 31.823 0.158 0.000 1.021 252 V HN 0.340 nan 8.190 nan 0.000 0.426 253 F N 3.092 123.153 119.950 0.184 0.000 2.549 253 F HA 0.420 4.947 4.527 -0.000 0.000 0.400 253 F C 0.487 176.303 175.800 0.026 0.000 1.011 253 F CA 1.264 59.337 58.000 0.123 0.000 1.148 253 F CB -0.059 39.008 39.000 0.111 0.000 0.993 253 F HN 0.799 nan 8.300 nan 0.000 0.540 254 T N 8.325 122.580 114.554 -0.500 0.000 2.881 254 T HA 0.574 4.924 4.350 -0.000 0.000 0.290 254 T C -1.135 173.297 174.700 -0.447 0.000 1.000 254 T CA -0.334 61.505 62.100 -0.435 0.000 0.978 254 T CB 0.859 69.614 68.868 -0.189 0.000 0.997 254 T HN 0.384 nan 8.240 nan 0.000 0.443 255 F N -0.111 119.521 119.950 -0.531 0.000 2.565 255 F HA 0.913 5.440 4.527 -0.000 0.000 0.313 255 F C 0.139 175.863 175.800 -0.127 0.000 1.091 255 F CA -1.467 56.331 58.000 -0.336 0.000 0.915 255 F CB 0.979 39.748 39.000 -0.384 0.000 1.208 255 F HN 0.690 nan 8.300 nan 0.000 0.453 256 G N 0.780 109.662 108.800 0.136 0.000 2.509 256 G HA2 0.458 4.418 3.960 -0.000 0.000 0.328 256 G HA3 0.458 4.418 3.960 -0.000 0.000 0.328 256 G C -1.786 173.271 174.900 0.261 0.000 1.194 256 G CA -0.863 44.331 45.100 0.158 0.000 0.967 256 G HN 0.794 nan 8.290 nan 0.000 0.488 257 Q N 0.491 120.439 119.800 0.248 0.000 2.431 257 Q HA 0.141 4.480 4.340 -0.000 0.000 0.249 257 Q C -1.491 174.689 176.000 0.300 0.000 1.025 257 Q CA -0.735 55.275 55.803 0.346 0.000 0.835 257 Q CB 0.931 29.868 28.738 0.333 0.000 1.207 257 Q HN 0.587 nan 8.270 nan 0.000 0.490 258 W N 7.343 128.698 121.300 0.092 0.000 2.394 258 W HA 0.231 4.891 4.660 -0.000 0.000 0.312 258 W C -1.625 174.767 176.519 -0.213 0.000 0.981 258 W CA -1.537 55.782 57.345 -0.042 0.000 1.519 258 W CB 0.154 29.556 29.460 -0.097 0.000 1.304 258 W HN 0.520 nan 8.180 nan 0.000 0.412 259 F N 6.012 125.809 119.950 -0.255 0.000 2.608 259 F HA 0.217 4.744 4.527 -0.000 0.000 0.380 259 F C -0.606 175.045 175.800 -0.249 0.000 1.083 259 F CA 0.764 58.307 58.000 -0.761 0.000 1.266 259 F CB 0.591 39.303 39.000 -0.480 0.000 1.076 259 F HN 0.157 nan 8.300 nan 0.000 0.574 260 L N 6.459 127.017 121.223 -1.108 0.000 2.362 260 L HA 0.491 4.831 4.340 -0.000 0.000 0.275 260 L C 0.637 177.047 176.870 -0.767 0.000 0.998 260 L CA -0.882 53.669 54.840 -0.480 0.000 0.820 260 L CB 1.553 43.562 42.059 -0.083 0.000 1.270 260 L HN 0.813 nan 8.230 nan 0.000 0.415 261 G N 1.942 110.572 108.800 -0.284 0.000 2.616 261 G HA2 0.367 4.326 3.960 -0.000 0.000 0.268 261 G HA3 0.367 4.326 3.960 -0.000 0.000 0.268 261 G C -0.125 174.769 174.900 -0.010 0.000 1.213 261 G CA -0.473 44.598 45.100 -0.050 0.000 0.926 261 G HN 0.302 nan 8.290 nan 0.000 0.523 262 V N 1.765 121.716 119.914 0.063 0.000 2.673 262 V HA 0.000 4.120 4.120 -0.000 0.000 0.303 262 V C 0.997 177.118 176.094 0.044 0.000 1.046 262 V CA 0.540 62.873 62.300 0.056 0.000 1.126 262 V CB 0.926 32.789 31.823 0.067 0.000 0.934 262 V HN 0.967 nan 8.190 nan 0.000 0.487 263 N N 1.411 120.133 118.700 0.037 0.000 2.900 263 N HA -0.197 4.543 4.740 -0.000 0.000 0.240 263 N C 0.427 175.959 175.510 0.036 0.000 0.953 263 N CA 1.572 54.643 53.050 0.034 0.000 0.950 263 N CB -0.719 37.787 38.487 0.031 0.000 1.102 263 N HN 0.942 nan 8.380 nan 0.000 0.593 264 E N 0.850 121.071 120.200 0.036 0.000 2.289 264 E HA 0.374 4.724 4.350 -0.000 0.000 0.278 264 E C -0.802 175.818 176.600 0.034 0.000 1.032 264 E CA -0.285 56.135 56.400 0.034 0.000 0.854 264 E CB 0.851 30.572 29.700 0.034 0.000 1.046 264 E HN 0.003 nan 8.360 nan 0.000 0.409 265 V N 4.374 124.297 119.914 0.015 0.000 2.419 265 V HA 0.172 4.292 4.120 -0.000 0.000 0.287 265 V C -0.408 175.605 176.094 -0.135 0.000 1.017 265 V CA -0.675 61.620 62.300 -0.008 0.000 0.844 265 V CB 1.417 33.264 31.823 0.040 0.000 1.011 265 V HN 0.631 nan 8.190 nan 0.000 0.429 266 S N 6.361 121.892 115.700 -0.280 0.000 2.442 266 S HA 0.540 5.010 4.470 -0.000 0.000 0.297 266 S C -1.805 172.331 174.600 -0.774 0.000 1.131 266 S CA -1.443 56.543 58.200 -0.357 0.000 1.092 266 S CB 1.971 65.060 63.200 -0.184 0.000 0.998 266 S HN 0.466 nan 8.310 nan 0.000 0.478 267 P HA 0.063 nan 4.420 nan 0.000 0.224 267 P C 1.134 178.297 177.300 -0.228 0.000 1.157 267 P CA 0.529 63.399 63.100 -0.383 0.000 0.799 267 P CB 0.217 31.846 31.700 -0.119 0.000 0.809 268 E N -0.354 119.764 120.200 -0.136 0.000 2.077 268 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 268 E C 1.893 178.242 176.600 -0.420 0.000 0.989 268 E CA 1.218 57.616 56.400 -0.002 0.000 0.800 268 E CB -0.425 29.478 29.700 0.339 0.000 0.746 268 E HN 0.228 nan 8.360 nan 0.000 0.452 269 N N -0.079 118.104 118.700 -0.861 0.000 2.084 269 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 269 N C 1.701 176.939 175.510 -0.453 0.000 1.030 269 N CA 1.518 53.740 53.050 -1.380 0.000 0.849 269 N CB -0.077 37.693 38.487 -1.195 0.000 1.012 269 N HN 0.252 nan 8.380 nan 0.000 0.423 270 H N -0.230 118.646 119.070 -0.323 0.000 2.289 270 H HA -0.146 4.410 4.556 -0.000 0.000 0.296 270 H C 2.024 177.292 175.328 -0.101 0.000 1.091 270 H CA 1.380 57.280 56.048 -0.246 0.000 1.274 270 H CB -0.074 29.474 29.762 -0.357 0.000 1.364 270 H HN 0.252 nan 8.280 nan 0.000 0.490 271 K N 0.743 121.166 120.400 0.038 0.000 2.103 271 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 271 K C 2.075 178.713 176.600 0.064 0.000 1.048 271 K CA 1.403 57.723 56.287 0.056 0.000 0.930 271 K CB -0.205 32.343 32.500 0.080 0.000 0.716 271 K HN 0.173 nan 8.250 nan 0.000 0.444 272 F N 1.234 121.104 119.950 -0.133 0.000 2.075 272 F HA -0.170 4.357 4.527 -0.000 0.000 0.297 272 F C 2.080 177.858 175.800 -0.035 0.000 1.113 272 F CA 1.802 59.721 58.000 -0.136 0.000 1.218 272 F CB -0.429 38.406 39.000 -0.276 0.000 0.984 272 F HN 0.103 nan 8.300 nan 0.000 0.472 273 A N -0.096 122.836 122.820 0.187 0.000 2.070 273 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 273 A C 1.825 179.455 177.584 0.076 0.000 1.159 273 A CA 1.797 53.930 52.037 0.160 0.000 0.656 273 A CB -0.714 18.468 19.000 0.304 0.000 0.800 273 A HN 0.513 nan 8.150 nan 0.000 0.453 274 N N 0.008 118.743 118.700 0.058 0.000 2.395 274 N HA -0.023 4.717 4.740 -0.000 0.000 0.175 274 N C 0.734 176.235 175.510 -0.015 0.000 1.029 274 N CA 1.316 54.387 53.050 0.034 0.000 0.897 274 N CB 0.078 38.589 38.487 0.040 0.000 0.991 274 N HN 0.830 nan 8.380 nan 0.000 0.441 275 E N -0.963 119.204 120.200 -0.055 0.000 3.029 275 E HA 0.198 4.548 4.350 -0.000 0.000 0.196 275 E C 0.174 176.693 176.600 -0.135 0.000 0.973 275 E CA -0.046 56.313 56.400 -0.068 0.000 1.242 275 E CB 0.129 29.818 29.700 -0.018 0.000 1.056 275 E HN 0.103 nan 8.360 nan 0.000 0.469 276 S N -0.406 115.142 115.700 -0.253 0.000 2.520 276 S HA 0.383 4.853 4.470 -0.000 0.000 0.219 276 S C 1.648 176.094 174.600 -0.257 0.000 1.028 276 S CA 0.606 58.578 58.200 -0.381 0.000 0.921 276 S CB 0.555 63.148 63.200 -1.011 0.000 0.844 276 S HN 0.518 nan 8.310 nan 0.000 0.495 277 G N 1.620 110.308 108.800 -0.186 0.000 2.213 277 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.226 277 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.226 277 G C -0.048 174.796 174.900 -0.094 0.000 0.992 277 G CA 0.194 45.218 45.100 -0.127 0.000 0.632 277 G HN 1.001 nan 8.290 nan 0.000 0.511 278 M N 0.303 119.835 119.600 -0.114 0.000 2.572 278 M HA 0.837 5.317 4.480 -0.000 0.000 0.299 278 M C 0.248 176.541 176.300 -0.012 0.000 1.205 278 M CA -0.356 54.907 55.300 -0.061 0.000 0.876 278 M CB 2.065 34.655 32.600 -0.016 0.000 1.728 278 M HN 0.239 nan 8.290 nan 0.000 0.458 279 S N 1.896 117.596 115.700 -0.001 0.000 2.607 279 S HA 0.865 5.335 4.470 -0.000 0.000 0.272 279 S C -0.249 174.444 174.600 0.154 0.000 1.166 279 S CA -0.830 57.408 58.200 0.064 0.000 1.021 279 S CB 0.707 63.941 63.200 0.057 0.000 1.113 279 S HN 0.713 nan 8.310 nan 0.000 0.531 280 L N -0.765 120.553 121.223 0.159 0.000 2.502 280 L HA 0.499 4.839 4.340 -0.000 0.000 0.253 280 L C -1.262 175.753 176.870 0.241 0.000 1.070 280 L CA -0.934 54.062 54.840 0.260 0.000 0.871 280 L CB 1.206 43.434 42.059 0.283 0.000 1.487 280 L HN 0.446 nan 8.230 nan 0.000 0.408 281 L N 0.946 122.402 121.223 0.389 0.000 2.380 281 L HA 0.175 4.514 4.340 -0.000 0.000 0.273 281 L C -0.074 177.041 176.870 0.409 0.000 1.138 281 L CA -0.088 54.998 54.840 0.411 0.000 0.832 281 L CB 0.459 42.838 42.059 0.532 0.000 1.124 281 L HN 0.460 nan 8.230 nan 0.000 0.454 282 D N 2.709 123.234 120.400 0.209 0.000 2.545 282 D HA 0.028 4.668 4.640 -0.000 0.000 0.227 282 D C 0.876 177.191 176.300 0.025 0.000 1.150 282 D CA 0.246 54.284 54.000 0.063 0.000 1.046 282 D CB 0.167 40.882 40.800 -0.142 0.000 1.098 282 D HN 0.288 nan 8.370 nan 0.000 0.502 283 F N 0.825 120.858 119.950 0.138 0.000 2.234 283 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 283 F C 2.515 178.304 175.800 -0.018 0.000 1.087 283 F CA 0.653 58.688 58.000 0.059 0.000 1.340 283 F CB -0.020 39.015 39.000 0.058 0.000 1.031 283 F HN 0.233 nan 8.300 nan 0.000 0.500 284 R N -0.338 120.300 120.500 0.231 0.000 2.083 284 R HA -0.242 4.098 4.340 -0.000 0.000 0.237 284 R C 2.318 178.698 176.300 0.133 0.000 1.137 284 R CA 1.923 58.129 56.100 0.177 0.000 0.951 284 R CB -0.730 29.718 30.300 0.246 0.000 0.851 284 R HN 0.291 nan 8.270 nan 0.000 0.434 285 F N 0.859 120.788 119.950 -0.035 0.000 2.102 285 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 285 F C 2.096 177.807 175.800 -0.148 0.000 1.105 285 F CA 1.582 59.540 58.000 -0.071 0.000 1.239 285 F CB -0.555 38.373 39.000 -0.121 0.000 0.991 285 F HN 0.123 nan 8.300 nan 0.000 0.474 286 A N 0.202 122.979 122.820 -0.071 0.000 1.877 286 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 286 A C 2.163 179.689 177.584 -0.096 0.000 1.186 286 A CA 1.693 53.545 52.037 -0.308 0.000 0.620 286 A CB -0.837 17.476 19.000 -1.145 0.000 0.822 286 A HN 0.533 nan 8.150 nan 0.000 0.443 287 Q N -0.490 119.290 119.800 -0.032 0.000 2.084 287 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 287 Q C 2.087 178.099 176.000 0.019 0.000 0.978 287 Q CA 1.898 57.724 55.803 0.038 0.000 0.844 287 Q CB -0.354 28.419 28.738 0.059 0.000 0.898 287 Q HN 0.673 nan 8.270 nan 0.000 0.426 288 K N 0.765 121.151 120.400 -0.022 0.000 2.148 288 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 288 K C 1.941 178.505 176.600 -0.061 0.000 1.050 288 K CA 0.675 56.933 56.287 -0.049 0.000 0.942 288 K CB -0.215 32.241 32.500 -0.073 0.000 0.724 288 K HN -0.039 nan 8.250 nan 0.000 0.446 289 V N 1.008 120.872 119.914 -0.084 0.000 2.358 289 V HA -0.177 3.942 4.120 -0.000 0.000 0.246 289 V C 2.399 178.650 176.094 0.262 0.000 1.047 289 V CA 1.818 64.144 62.300 0.043 0.000 1.035 289 V CB -0.391 31.399 31.823 -0.055 0.000 0.658 289 V HN 0.331 nan 8.190 nan 0.000 0.452 290 R N -0.653 119.974 120.500 0.212 0.000 2.073 290 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 290 R C 2.431 178.802 176.300 0.119 0.000 1.134 290 R CA 1.694 57.946 56.100 0.253 0.000 0.952 290 R CB -0.322 30.081 30.300 0.172 0.000 0.850 290 R HN 0.572 nan 8.270 nan 0.000 0.433 291 Q N -0.148 119.687 119.800 0.057 0.000 2.096 291 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 291 Q C 2.094 178.075 176.000 -0.033 0.000 0.982 291 Q CA 1.609 57.415 55.803 0.005 0.000 0.850 291 Q CB 0.135 28.869 28.738 -0.007 0.000 0.901 291 Q HN 0.196 nan 8.270 nan 0.000 0.422 292 V N -0.869 119.008 119.914 -0.061 0.000 2.500 292 V HA -0.127 3.993 4.120 -0.000 0.000 0.243 292 V C 1.435 177.350 176.094 -0.298 0.000 1.039 292 V CA 1.401 63.562 62.300 -0.231 0.000 1.053 292 V CB -0.244 31.335 31.823 -0.406 0.000 0.695 292 V HN 0.251 nan 8.190 nan 0.000 0.463 293 F N -0.493 119.467 119.950 0.016 0.000 2.698 293 F HA 0.224 4.751 4.527 -0.000 0.000 0.295 293 F C 2.267 178.159 175.800 0.155 0.000 1.124 293 F CA 0.736 58.809 58.000 0.122 0.000 1.426 293 F CB 0.082 39.205 39.000 0.205 0.000 1.120 293 F HN -0.041 nan 8.300 nan 0.000 0.583 294 R N 0.400 120.998 120.500 0.163 0.000 2.055 294 R HA 0.030 4.370 4.340 -0.000 0.000 0.190 294 R C 1.228 177.454 176.300 -0.125 0.000 1.443 294 R CA 0.715 56.706 56.100 -0.181 0.000 1.188 294 R CB -0.319 29.553 30.300 -0.715 0.000 1.068 294 R HN -0.019 nan 8.270 nan 0.000 0.475 295 D N 1.135 121.480 120.400 -0.092 0.000 2.348 295 D HA -0.117 4.523 4.640 -0.000 0.000 0.216 295 D C 0.017 176.289 176.300 -0.046 0.000 0.970 295 D CA 0.626 54.587 54.000 -0.065 0.000 0.889 295 D CB -0.428 40.346 40.800 -0.043 0.000 0.912 295 D HN 0.336 nan 8.370 nan 0.000 0.524 296 N N 0.448 119.121 118.700 -0.046 0.000 2.738 296 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 296 N C 0.295 175.782 175.510 -0.039 0.000 1.047 296 N CA 1.140 54.161 53.050 -0.049 0.000 0.707 296 N CB -1.579 36.884 38.487 -0.040 0.000 0.937 296 N HN 0.327 nan 8.380 nan 0.000 0.545 297 T N -4.236 110.296 114.554 -0.037 0.000 3.044 297 T HA 0.322 4.671 4.350 -0.000 0.000 0.260 297 T C 0.041 174.726 174.700 -0.025 0.000 1.019 297 T CA 0.077 62.163 62.100 -0.024 0.000 0.921 297 T CB 0.739 69.599 68.868 -0.013 0.000 1.053 297 T HN 0.251 nan 8.240 nan 0.000 0.533 298 D N 0.859 121.234 120.400 -0.042 0.000 2.648 298 D HA 0.316 4.955 4.640 -0.000 0.000 0.244 298 D C -1.349 174.908 176.300 -0.073 0.000 1.244 298 D CA -0.476 53.501 54.000 -0.039 0.000 0.772 298 D CB 1.899 42.680 40.800 -0.032 0.000 1.379 298 D HN 0.289 nan 8.370 nan 0.000 0.428 299 N N 0.633 119.307 118.700 -0.043 0.000 2.776 299 N HA 0.267 5.007 4.740 -0.000 0.000 0.319 299 N C 0.913 176.340 175.510 -0.137 0.000 1.316 299 N CA -0.444 52.559 53.050 -0.079 0.000 0.890 299 N CB 0.087 38.587 38.487 0.022 0.000 1.165 299 N HN 0.189 nan 8.380 nan 0.000 0.596 300 M N -0.932 118.541 119.600 -0.211 0.000 2.213 300 M HA 0.038 4.518 4.480 -0.000 0.000 0.263 300 M C 1.160 177.307 176.300 -0.256 0.000 1.062 300 M CA 1.308 56.436 55.300 -0.287 0.000 1.105 300 M CB -1.253 31.151 32.600 -0.327 0.000 1.385 300 M HN 0.542 nan 8.290 nan 0.000 0.417 301 Y N -0.964 119.303 120.300 -0.055 0.000 2.224 301 Y HA -0.062 4.488 4.550 -0.000 0.000 0.289 301 Y C 2.433 178.309 175.900 -0.039 0.000 1.146 301 Y CA 1.476 59.554 58.100 -0.037 0.000 1.182 301 Y CB -1.310 37.128 38.460 -0.037 0.000 0.983 301 Y HN 0.307 nan 8.280 nan 0.000 0.524 302 G N -0.423 108.425 108.800 0.080 0.000 2.402 302 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 302 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 302 G C 1.616 176.504 174.900 -0.021 0.000 1.162 302 G CA 0.821 45.935 45.100 0.023 0.000 0.777 302 G HN 0.307 nan 8.290 nan 0.000 0.539 303 L N 0.902 122.077 121.223 -0.080 0.000 2.056 303 L HA 0.081 4.421 4.340 -0.000 0.000 0.207 303 L C 2.745 179.594 176.870 -0.035 0.000 1.078 303 L CA 2.378 57.152 54.840 -0.110 0.000 0.749 303 L CB -0.460 41.462 42.059 -0.228 0.000 0.901 303 L HN 0.349 nan 8.230 nan 0.000 0.433 304 K N -0.576 119.813 120.400 -0.018 0.000 2.025 304 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 304 K C 1.993 178.620 176.600 0.045 0.000 1.049 304 K CA 1.494 57.797 56.287 0.025 0.000 0.933 304 K CB -0.372 32.144 32.500 0.028 0.000 0.714 304 K HN 0.280 nan 8.250 nan 0.000 0.438 305 A N 1.714 124.565 122.820 0.051 0.000 1.940 305 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 305 A C 2.225 179.837 177.584 0.046 0.000 1.176 305 A CA 1.651 53.719 52.037 0.051 0.000 0.631 305 A CB -0.655 18.376 19.000 0.052 0.000 0.814 305 A HN 0.557 nan 8.150 nan 0.000 0.446 306 M N -0.186 119.438 119.600 0.039 0.000 2.067 306 M HA -0.104 4.376 4.480 -0.000 0.000 0.260 306 M C 2.034 178.380 176.300 0.077 0.000 1.069 306 M CA 1.824 57.154 55.300 0.050 0.000 1.117 306 M CB -0.891 31.718 32.600 0.014 0.000 1.334 306 M HN 0.409 nan 8.290 nan 0.000 0.407 307 L N 0.113 121.378 121.223 0.070 0.000 2.042 307 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 307 L C 2.279 179.195 176.870 0.077 0.000 1.076 307 L CA 1.579 56.471 54.840 0.087 0.000 0.749 307 L CB -0.592 41.505 42.059 0.064 0.000 0.893 307 L HN 0.365 nan 8.230 nan 0.000 0.432 308 E N -0.450 119.786 120.200 0.061 0.000 2.072 308 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 308 E C 2.234 178.854 176.600 0.034 0.000 0.982 308 E CA 0.891 57.321 56.400 0.049 0.000 0.803 308 E CB -0.296 29.432 29.700 0.046 0.000 0.755 308 E HN 0.510 nan 8.360 nan 0.000 0.453 309 G N 1.254 110.073 108.800 0.032 0.000 2.453 309 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.215 309 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.215 309 G C 1.734 176.617 174.900 -0.029 0.000 1.201 309 G CA 1.408 46.509 45.100 0.002 0.000 0.784 309 G HN 0.394 nan 8.290 nan 0.000 0.545 310 S N 1.501 117.225 115.700 0.040 0.000 2.380 310 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 310 S C 2.525 177.216 174.600 0.152 0.000 1.043 310 S CA 1.939 60.220 58.200 0.135 0.000 1.038 310 S CB -0.680 62.681 63.200 0.269 0.000 0.872 310 S HN 0.775 nan 8.310 nan 0.000 0.456 311 A N 1.037 123.913 122.820 0.094 0.000 2.121 311 A HA 0.500 4.820 4.320 -0.000 0.000 0.218 311 A C 2.274 179.871 177.584 0.023 0.000 1.154 311 A CA 1.426 53.508 52.037 0.074 0.000 0.679 311 A CB -0.877 18.160 19.000 0.062 0.000 0.795 311 A HN 0.939 nan 8.150 nan 0.000 0.458 312 A N -0.814 121.989 122.820 -0.028 0.000 2.055 312 A HA 0.187 4.507 4.320 -0.000 0.000 0.205 312 A C 1.410 178.906 177.584 -0.146 0.000 1.235 312 A CA 0.924 52.924 52.037 -0.063 0.000 0.822 312 A CB 0.039 19.011 19.000 -0.048 0.000 0.903 312 A HN 0.305 nan 8.150 nan 0.000 0.473 313 D N -1.180 119.044 120.400 -0.293 0.000 2.317 313 D HA 0.057 4.697 4.640 -0.000 0.000 0.211 313 D C -0.638 175.223 176.300 -0.732 0.000 0.966 313 D CA 0.883 54.526 54.000 -0.596 0.000 0.876 313 D CB -0.077 40.073 40.800 -1.083 0.000 0.927 313 D HN 0.454 nan 8.370 nan 0.000 0.519 314 Y N -0.104 120.068 120.300 -0.214 0.000 2.342 314 Y HA 0.497 5.047 4.550 -0.000 0.000 0.338 314 Y C 1.164 177.017 175.900 -0.079 0.000 0.965 314 Y CA -1.144 56.879 58.100 -0.129 0.000 1.159 314 Y CB 1.541 39.948 38.460 -0.090 0.000 1.157 314 Y HN -0.192 nan 8.280 nan 0.000 0.486 315 A N 2.916 125.786 122.820 0.084 0.000 1.873 315 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 315 A C 0.762 178.358 177.584 0.021 0.000 1.193 315 A CA 1.517 53.570 52.037 0.026 0.000 0.629 315 A CB -0.296 18.721 19.000 0.029 0.000 0.826 315 A HN 0.756 nan 8.150 nan 0.000 0.447 316 Q N -0.964 118.887 119.800 0.085 0.000 2.644 316 Q HA 0.447 4.787 4.340 -0.000 0.000 0.245 316 Q C 0.399 176.454 176.000 0.091 0.000 1.064 316 Q CA -0.099 55.753 55.803 0.081 0.000 0.860 316 Q CB 1.265 30.082 28.738 0.132 0.000 1.145 316 Q HN 0.185 nan 8.270 nan 0.000 0.515 317 V N 1.609 121.574 119.914 0.085 0.000 2.626 317 V HA -0.238 3.882 4.120 -0.000 0.000 0.252 317 V C 0.323 176.421 176.094 0.007 0.000 1.067 317 V CA 2.107 64.427 62.300 0.034 0.000 1.081 317 V CB 0.154 32.029 31.823 0.086 0.000 0.686 317 V HN 0.727 nan 8.190 nan 0.000 0.468 318 D N -0.210 120.240 120.400 0.084 0.000 2.371 318 D HA -0.053 4.587 4.640 -0.000 0.000 0.234 318 D C 0.906 177.303 176.300 0.161 0.000 1.049 318 D CA 0.622 54.694 54.000 0.121 0.000 0.907 318 D CB 0.006 40.939 40.800 0.221 0.000 0.891 318 D HN 0.424 nan 8.370 nan 0.000 0.531 319 D N -0.280 120.217 120.400 0.162 0.000 2.433 319 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 319 D C 0.090 176.486 176.300 0.161 0.000 1.114 319 D CA 0.073 54.243 54.000 0.283 0.000 0.837 319 D CB 0.378 41.400 40.800 0.370 0.000 0.984 319 D HN 0.023 nan 8.370 nan 0.000 0.505 320 Q N 0.632 120.412 119.800 -0.034 0.000 2.267 320 Q HA 0.269 4.609 4.340 -0.000 0.000 0.255 320 Q C -0.122 175.785 176.000 -0.156 0.000 0.923 320 Q CA -0.379 55.337 55.803 -0.145 0.000 0.925 320 Q CB 2.008 30.548 28.738 -0.330 0.000 1.195 320 Q HN -0.120 nan 8.270 nan 0.000 0.417 321 V N 3.726 123.540 119.914 -0.166 0.000 2.353 321 V HA 0.166 4.286 4.120 -0.000 0.000 0.264 321 V C 0.778 176.807 176.094 -0.108 0.000 1.049 321 V CA -0.431 61.728 62.300 -0.234 0.000 0.896 321 V CB 0.261 31.745 31.823 -0.566 0.000 1.025 321 V HN 0.875 nan 8.190 nan 0.000 0.475 322 T N 2.890 117.292 114.554 -0.254 0.000 2.788 322 T HA 0.755 5.105 4.350 -0.000 0.000 0.287 322 T C -0.521 174.188 174.700 0.015 0.000 1.007 322 T CA -0.308 61.552 62.100 -0.399 0.000 1.005 322 T CB 1.268 69.530 68.868 -1.009 0.000 1.012 322 T HN 0.807 nan 8.240 nan 0.000 0.530 323 F N -1.355 118.524 119.950 -0.118 0.000 2.878 323 F HA 0.447 4.974 4.527 -0.000 0.000 0.322 323 F C -0.040 175.806 175.800 0.075 0.000 1.154 323 F CA -1.191 56.796 58.000 -0.022 0.000 0.896 323 F CB 0.570 39.547 39.000 -0.039 0.000 1.313 323 F HN 0.608 nan 8.300 nan 0.000 0.451 324 I N -1.095 119.603 120.570 0.213 0.000 4.181 324 I HA 0.437 4.607 4.170 -0.000 0.000 0.331 324 I C -0.740 175.569 176.117 0.319 0.000 1.312 324 I CA 0.294 61.675 61.300 0.136 0.000 1.146 324 I CB 0.461 38.377 38.000 -0.140 0.000 1.074 324 I HN 0.728 nan 8.210 nan 0.000 0.402 325 D N 0.732 121.380 120.400 0.414 0.000 2.809 325 D HA 0.324 4.964 4.640 -0.000 0.000 0.336 325 D C -1.192 175.066 176.300 -0.068 0.000 1.367 325 D CA -0.563 53.592 54.000 0.257 0.000 0.815 325 D CB 0.564 41.493 40.800 0.215 0.000 1.381 325 D HN 0.306 nan 8.370 nan 0.000 0.471 326 N N -2.637 115.824 118.700 -0.399 0.000 3.413 326 N HA 0.078 4.817 4.740 -0.000 0.000 0.273 326 N C 0.619 175.574 175.510 -0.924 0.000 1.458 326 N CA -0.292 52.177 53.050 -0.968 0.000 0.860 326 N CB -0.263 37.814 38.487 -0.684 0.000 1.556 326 N HN 0.601 nan 8.380 nan 0.000 0.475 327 H N -1.507 117.084 119.070 -0.798 0.000 2.557 327 H HA 0.061 4.617 4.556 -0.000 0.000 0.287 327 H C -0.735 174.546 175.328 -0.078 0.000 1.043 327 H CA 1.161 57.057 56.048 -0.253 0.000 1.226 327 H CB -0.290 29.511 29.762 0.064 0.000 1.361 327 H HN 0.543 nan 8.280 nan 0.000 0.592 328 D N 0.249 120.458 120.400 -0.317 0.000 2.479 328 D HA 0.236 4.876 4.640 -0.000 0.000 0.218 328 D C 0.315 176.602 176.300 -0.021 0.000 1.177 328 D CA 0.011 53.931 54.000 -0.133 0.000 0.830 328 D CB 0.716 41.432 40.800 -0.140 0.000 1.014 328 D HN 0.371 nan 8.370 nan 0.000 0.503 329 M N 0.249 119.838 119.600 -0.018 0.000 2.644 329 M HA 0.318 4.798 4.480 -0.000 0.000 0.304 329 M C -0.038 176.288 176.300 0.043 0.000 1.215 329 M CA -0.834 54.507 55.300 0.068 0.000 0.871 329 M CB 2.638 35.322 32.600 0.142 0.000 1.740 329 M HN -0.307 nan 8.290 nan 0.000 0.464 330 E N 1.803 122.038 120.200 0.059 0.000 2.418 330 E HA 0.120 4.470 4.350 -0.000 0.000 0.261 330 E C -0.594 176.056 176.600 0.084 0.000 1.070 330 E CA -0.223 56.208 56.400 0.052 0.000 0.931 330 E CB 0.539 30.258 29.700 0.032 0.000 0.954 330 E HN 0.396 nan 8.360 nan 0.000 0.439 331 R N 2.060 122.623 120.500 0.104 0.000 2.537 331 R HA -0.013 4.327 4.340 -0.000 0.000 0.280 331 R C 0.870 177.289 176.300 0.199 0.000 1.058 331 R CA -0.114 56.087 56.100 0.170 0.000 1.057 331 R CB 0.110 30.512 30.300 0.170 0.000 0.973 331 R HN 0.640 nan 8.270 nan 0.000 0.438 332 F N 2.008 122.026 119.950 0.114 0.000 2.111 332 F HA -0.277 4.250 4.527 -0.000 0.000 0.300 332 F C 1.147 177.033 175.800 0.143 0.000 1.088 332 F CA 1.903 59.974 58.000 0.119 0.000 1.243 332 F CB -0.247 38.824 39.000 0.118 0.000 0.996 332 F HN 0.624 nan 8.300 nan 0.000 0.483 333 H N 0.359 119.583 119.070 0.257 0.000 2.604 333 H HA 0.547 5.103 4.556 -0.000 0.000 0.306 333 H C -0.371 175.004 175.328 0.079 0.000 1.075 333 H CA -0.538 55.617 56.048 0.178 0.000 1.357 333 H CB 0.658 30.585 29.762 0.276 0.000 1.426 333 H HN 0.241 nan 8.280 nan 0.000 0.470 334 A N 3.428 125.941 122.820 -0.513 0.000 2.310 334 A HA 0.283 4.603 4.320 -0.000 0.000 0.299 334 A C 1.328 178.596 177.584 -0.526 0.000 1.147 334 A CA -0.044 51.770 52.037 -0.371 0.000 0.818 334 A CB 0.352 19.202 19.000 -0.251 0.000 1.096 334 A HN 0.973 nan 8.150 nan 0.000 0.495 335 S N 1.979 117.561 115.700 -0.197 0.000 2.374 335 S HA -0.261 4.209 4.470 -0.000 0.000 0.227 335 S C 1.435 175.991 174.600 -0.073 0.000 1.037 335 S CA 1.706 59.868 58.200 -0.063 0.000 1.024 335 S CB -0.645 62.553 63.200 -0.004 0.000 0.861 335 S HN 0.920 nan 8.310 nan 0.000 0.456 336 N N 2.593 121.231 118.700 -0.102 0.000 2.446 336 N HA 0.129 4.869 4.740 -0.000 0.000 0.179 336 N C 0.705 176.171 175.510 -0.073 0.000 1.054 336 N CA 0.550 53.562 53.050 -0.064 0.000 0.905 336 N CB -0.216 38.239 38.487 -0.053 0.000 0.973 336 N HN 0.479 nan 8.380 nan 0.000 0.448 337 A N 1.546 124.265 122.820 -0.169 0.000 2.425 337 A HA 0.070 4.390 4.320 -0.000 0.000 0.242 337 A C 0.304 177.919 177.584 0.052 0.000 1.077 337 A CA -0.395 51.577 52.037 -0.109 0.000 0.781 337 A CB 0.116 19.001 19.000 -0.192 0.000 1.020 337 A HN 0.301 nan 8.150 nan 0.000 0.494 338 N N 0.562 119.322 118.700 0.101 0.000 2.431 338 N HA 0.026 4.766 4.740 -0.000 0.000 0.265 338 N C 1.121 176.794 175.510 0.273 0.000 1.184 338 N CA 0.115 53.258 53.050 0.155 0.000 0.943 338 N CB 0.372 38.927 38.487 0.114 0.000 1.080 338 N HN 0.635 nan 8.380 nan 0.000 0.477 339 R N 2.029 122.709 120.500 0.300 0.000 2.154 339 R HA -0.198 4.142 4.340 -0.000 0.000 0.248 339 R C 1.543 178.033 176.300 0.317 0.000 1.155 339 R CA 1.342 57.637 56.100 0.325 0.000 0.979 339 R CB -0.016 30.299 30.300 0.024 0.000 0.869 339 R HN 0.454 nan 8.270 nan 0.000 0.452 340 R N 1.468 122.102 120.500 0.223 0.000 2.249 340 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 340 R C 1.181 177.623 176.300 0.237 0.000 1.121 340 R CA 1.523 57.740 56.100 0.196 0.000 0.997 340 R CB -0.063 30.323 30.300 0.144 0.000 0.867 340 R HN 0.172 nan 8.270 nan 0.000 0.465 341 K N -0.138 120.450 120.400 0.314 0.000 2.116 341 K HA -0.073 4.247 4.320 -0.000 0.000 0.203 341 K C 2.004 178.901 176.600 0.496 0.000 1.052 341 K CA 1.296 57.830 56.287 0.413 0.000 0.952 341 K CB -0.278 32.461 32.500 0.397 0.000 0.729 341 K HN 0.268 nan 8.250 nan 0.000 0.446 342 L N 1.744 123.284 121.223 0.528 0.000 2.109 342 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 342 L C 1.954 178.782 176.870 -0.071 0.000 1.086 342 L CA 1.407 56.351 54.840 0.173 0.000 0.760 342 L CB -0.068 42.176 42.059 0.310 0.000 0.910 342 L HN 0.083 nan 8.230 nan 0.000 0.437 343 E N 0.158 120.402 120.200 0.074 0.000 2.038 343 E HA -0.315 4.035 4.350 -0.000 0.000 0.195 343 E C 2.146 178.720 176.600 -0.043 0.000 1.000 343 E CA 2.054 58.467 56.400 0.023 0.000 0.803 343 E CB -0.295 29.471 29.700 0.110 0.000 0.750 343 E HN 0.721 nan 8.360 nan 0.000 0.448 344 Q N 0.609 120.402 119.800 -0.012 0.000 2.170 344 Q HA -0.069 4.271 4.340 -0.000 0.000 0.203 344 Q C 2.251 178.043 176.000 -0.346 0.000 0.976 344 Q CA 1.255 57.015 55.803 -0.072 0.000 0.858 344 Q CB -0.261 28.530 28.738 0.089 0.000 0.907 344 Q HN 0.216 nan 8.270 nan 0.000 0.433 345 A N 1.584 124.081 122.820 -0.538 0.000 1.933 345 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 345 A C 2.113 179.475 177.584 -0.370 0.000 1.175 345 A CA 0.884 52.466 52.037 -0.757 0.000 0.628 345 A CB -0.578 17.901 19.000 -0.869 0.000 0.814 345 A HN 0.354 nan 8.150 nan 0.000 0.444 346 L N -0.917 120.128 121.223 -0.296 0.000 2.005 346 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 346 L C 3.127 179.933 176.870 -0.106 0.000 1.072 346 L CA 1.221 55.952 54.840 -0.182 0.000 0.744 346 L CB -0.541 41.420 42.059 -0.165 0.000 0.895 346 L HN 0.449 nan 8.230 nan 0.000 0.433 347 A N -0.389 122.378 122.820 -0.087 0.000 1.940 347 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 347 A C 2.111 179.707 177.584 0.019 0.000 1.176 347 A CA 1.734 53.746 52.037 -0.042 0.000 0.631 347 A CB -0.904 18.075 19.000 -0.034 0.000 0.814 347 A HN 0.454 nan 8.150 nan 0.000 0.446 348 F N 1.670 121.542 119.950 -0.130 0.000 2.069 348 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 348 F C 2.509 178.338 175.800 0.048 0.000 1.113 348 F CA 2.416 60.393 58.000 -0.039 0.000 1.214 348 F CB -0.916 37.911 39.000 -0.289 0.000 0.978 348 F HN 0.242 nan 8.300 nan 0.000 0.474 349 T N 1.803 116.338 114.554 -0.033 0.000 2.622 349 T HA -0.222 4.128 4.350 -0.000 0.000 0.266 349 T C 2.148 176.753 174.700 -0.159 0.000 1.047 349 T CA 1.996 64.056 62.100 -0.066 0.000 1.159 349 T CB -0.876 67.998 68.868 0.009 0.000 0.863 349 T HN 0.289 nan 8.240 nan 0.000 0.422 350 L N 1.497 122.652 121.223 -0.113 0.000 2.263 350 L HA -0.100 4.240 4.340 -0.000 0.000 0.216 350 L C 2.565 179.368 176.870 -0.112 0.000 1.111 350 L CA 1.454 56.227 54.840 -0.111 0.000 0.773 350 L CB -1.044 40.960 42.059 -0.091 0.000 0.906 350 L HN 0.497 nan 8.230 nan 0.000 0.439 351 T N -6.146 108.350 114.554 -0.096 0.000 3.054 351 T HA 0.200 4.550 4.350 -0.000 0.000 0.255 351 T C 0.713 175.398 174.700 -0.025 0.000 1.035 351 T CA -0.304 61.769 62.100 -0.045 0.000 0.941 351 T CB 0.318 69.189 68.868 0.005 0.000 1.026 351 T HN 0.013 nan 8.240 nan 0.000 0.533 352 S N 2.504 118.101 115.700 -0.171 0.000 2.654 352 S HA 0.595 5.065 4.470 -0.000 0.000 0.283 352 S C 0.453 174.943 174.600 -0.183 0.000 1.180 352 S CA -1.093 56.967 58.200 -0.233 0.000 1.021 352 S CB 1.082 64.020 63.200 -0.437 0.000 1.018 352 S HN 0.599 nan 8.310 nan 0.000 0.532 353 R N 0.936 121.359 120.500 -0.128 0.000 2.861 353 R HA 0.451 4.791 4.340 -0.000 0.000 0.268 353 R C 0.666 176.858 176.300 -0.180 0.000 1.027 353 R CA 0.719 56.760 56.100 -0.098 0.000 1.163 353 R CB -1.450 28.835 30.300 -0.025 0.000 1.060 353 R HN 1.001 nan 8.270 nan 0.000 0.483 354 G N -0.589 108.133 108.800 -0.130 0.000 2.545 354 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 354 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 354 G C -1.369 173.426 174.900 -0.176 0.000 1.314 354 G CA -0.287 44.717 45.100 -0.160 0.000 0.906 354 G HN 0.764 nan 8.290 nan 0.000 0.563 355 V N 2.216 122.013 119.914 -0.196 0.000 2.349 355 V HA 0.518 4.638 4.120 -0.000 0.000 0.284 355 V C -2.069 173.917 176.094 -0.180 0.000 1.014 355 V CA -1.107 61.083 62.300 -0.183 0.000 0.826 355 V CB 1.750 33.458 31.823 -0.192 0.000 1.009 355 V HN 0.645 nan 8.190 nan 0.000 0.431 356 P HA 0.368 nan 4.420 nan 0.000 0.268 356 P C -0.646 176.642 177.300 -0.021 0.000 1.205 356 P CA 0.086 63.114 63.100 -0.118 0.000 0.771 356 P CB 0.818 32.452 31.700 -0.110 0.000 0.858 357 A N 3.806 126.652 122.820 0.042 0.000 2.385 357 A HA 0.600 4.920 4.320 -0.000 0.000 0.290 357 A C -0.660 176.989 177.584 0.109 0.000 1.094 357 A CA -0.610 51.508 52.037 0.135 0.000 0.729 357 A CB 0.415 19.566 19.000 0.252 0.000 1.194 357 A HN 0.425 nan 8.150 nan 0.000 0.442 358 I N 2.612 123.211 120.570 0.049 0.000 2.336 358 I HA 0.206 4.376 4.170 -0.000 0.000 0.292 358 I C -0.509 175.526 176.117 -0.136 0.000 0.991 358 I CA -0.715 60.572 61.300 -0.022 0.000 1.227 358 I CB 1.148 39.131 38.000 -0.029 0.000 1.366 358 I HN 0.703 nan 8.210 nan 0.000 0.466 359 Y N 8.259 128.423 120.300 -0.226 0.000 2.377 359 Y HA 0.097 4.647 4.550 -0.000 0.000 0.330 359 Y C 0.002 175.661 175.900 -0.402 0.000 1.108 359 Y CA -1.217 56.712 58.100 -0.284 0.000 1.308 359 Y CB 0.180 38.528 38.460 -0.186 0.000 1.216 359 Y HN 0.447 nan 8.280 nan 0.000 0.518 360 Y N 4.274 124.114 120.300 -0.766 0.000 2.881 360 Y HA 0.320 4.870 4.550 -0.000 0.000 0.335 360 Y C 0.994 176.694 175.900 -0.333 0.000 1.263 360 Y CA -0.018 57.731 58.100 -0.586 0.000 1.572 360 Y CB -0.091 38.188 38.460 -0.301 0.000 1.237 360 Y HN 0.897 nan 8.280 nan 0.000 0.568 361 G N 2.308 111.042 108.800 -0.111 0.000 2.232 361 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.226 361 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.226 361 G C 0.869 175.692 174.900 -0.127 0.000 0.996 361 G CA 0.224 45.239 45.100 -0.142 0.000 0.626 361 G HN 0.776 nan 8.290 nan 0.000 0.509 362 T N 1.968 116.428 114.554 -0.156 0.000 2.635 362 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 362 T C 2.139 176.705 174.700 -0.224 0.000 1.040 362 T CA 2.041 64.061 62.100 -0.135 0.000 1.156 362 T CB -0.332 68.476 68.868 -0.099 0.000 0.863 362 T HN 0.763 nan 8.240 nan 0.000 0.430 363 E N 1.327 121.457 120.200 -0.117 0.000 2.455 363 E HA -0.183 4.167 4.350 -0.000 0.000 0.202 363 E C 0.939 177.510 176.600 -0.048 0.000 1.045 363 E CA 0.970 57.309 56.400 -0.103 0.000 0.872 363 E CB -0.179 29.558 29.700 0.062 0.000 0.792 363 E HN 0.434 nan 8.360 nan 0.000 0.542 364 Q N 0.039 119.832 119.800 -0.011 0.000 2.182 364 Q HA 0.084 4.424 4.340 -0.000 0.000 0.270 364 Q C -0.654 175.434 176.000 0.145 0.000 0.861 364 Q CA -0.655 55.221 55.803 0.122 0.000 1.098 364 Q CB -0.302 28.506 28.738 0.116 0.000 1.188 364 Q HN 0.285 nan 8.270 nan 0.000 0.464 365 Y N -1.248 119.031 120.300 -0.035 0.000 3.515 365 Y HA -0.318 4.231 4.550 -0.000 0.000 0.214 365 Y C 0.594 176.488 175.900 -0.010 0.000 1.166 365 Y CA 0.427 58.448 58.100 -0.133 0.000 1.435 365 Y CB -2.397 35.878 38.460 -0.307 0.000 1.414 365 Y HN 0.318 nan 8.280 nan 0.000 0.608 366 M N 0.674 120.324 119.600 0.083 0.000 2.249 366 M HA 0.163 4.643 4.480 -0.000 0.000 0.340 366 M C 0.555 176.949 176.300 0.157 0.000 1.166 366 M CA 1.003 56.350 55.300 0.080 0.000 1.115 366 M CB 0.471 33.049 32.600 -0.037 0.000 1.606 366 M HN 0.327 nan 8.290 nan 0.000 0.448 367 S N 1.116 116.905 115.700 0.147 0.000 2.632 367 S HA 1.011 5.481 4.470 -0.000 0.000 0.289 367 S C -0.338 174.304 174.600 0.071 0.000 1.115 367 S CA -0.664 57.617 58.200 0.136 0.000 0.889 367 S CB 2.274 65.559 63.200 0.140 0.000 1.116 367 S HN 1.069 nan 8.310 nan 0.000 0.486 368 G N -0.815 108.017 108.800 0.053 0.000 2.347 368 G HA2 0.511 4.471 3.960 -0.000 0.000 0.303 368 G HA3 0.511 4.471 3.960 -0.000 0.000 0.303 368 G C -0.320 174.598 174.900 0.031 0.000 1.481 368 G CA -0.303 44.818 45.100 0.034 0.000 0.914 368 G HN 0.980 nan 8.290 nan 0.000 0.638 369 G N -0.964 107.848 108.800 0.020 0.000 2.531 369 G HA2 0.729 4.689 3.960 -0.000 0.000 0.253 369 G HA3 0.729 4.689 3.960 -0.000 0.000 0.253 369 G C 0.928 175.841 174.900 0.020 0.000 1.439 369 G CA 0.819 45.928 45.100 0.016 0.000 1.056 369 G HN 1.640 nan 8.290 nan 0.000 0.555 370 T N -1.733 112.828 114.554 0.012 0.000 2.732 370 T HA 0.220 4.570 4.350 -0.000 0.000 0.287 370 T C 0.205 174.913 174.700 0.014 0.000 0.993 370 T CA -0.274 61.831 62.100 0.009 0.000 0.966 370 T CB 0.493 69.357 68.868 -0.007 0.000 1.047 370 T HN 0.363 nan 8.240 nan 0.000 0.527 371 D N 2.501 122.911 120.400 0.016 0.000 3.264 371 D HA -0.030 4.610 4.640 -0.000 0.000 0.213 371 D C -1.272 175.051 176.300 0.038 0.000 1.112 371 D CA -0.735 53.290 54.000 0.040 0.000 0.777 371 D CB 0.638 41.456 40.800 0.030 0.000 1.156 371 D HN 0.438 nan 8.370 nan 0.000 0.556 372 P HA 0.149 nan 4.420 nan 0.000 0.282 372 P C 0.177 177.497 177.300 0.033 0.000 1.373 372 P CA -0.228 62.915 63.100 0.072 0.000 1.001 372 P CB 0.614 32.367 31.700 0.088 0.000 1.489 373 D N 1.624 122.038 120.400 0.023 0.000 2.271 373 D HA -0.154 4.486 4.640 -0.000 0.000 0.207 373 D C 1.190 177.504 176.300 0.022 0.000 0.983 373 D CA 1.147 55.156 54.000 0.016 0.000 0.878 373 D CB -0.532 40.276 40.800 0.013 0.000 0.920 373 D HN 0.390 nan 8.370 nan 0.000 0.479 374 N N 0.100 118.820 118.700 0.034 0.000 2.398 374 N HA -0.041 4.698 4.740 -0.000 0.000 0.188 374 N C 0.557 176.101 175.510 0.057 0.000 1.122 374 N CA 0.127 53.214 53.050 0.062 0.000 0.866 374 N CB -0.100 38.435 38.487 0.079 0.000 0.970 374 N HN -0.053 nan 8.380 nan 0.000 0.462 375 R N 0.331 120.834 120.500 0.005 0.000 3.311 375 R HA 0.491 4.831 4.340 -0.000 0.000 0.332 375 R C -0.390 175.938 176.300 0.047 0.000 1.317 375 R CA -0.224 55.846 56.100 -0.051 0.000 1.192 375 R CB 0.438 30.638 30.300 -0.167 0.000 1.454 375 R HN 0.244 nan 8.270 nan 0.000 0.605 376 A N 0.359 123.219 122.820 0.067 0.000 2.252 376 A HA 0.462 4.782 4.320 -0.000 0.000 0.305 376 A C -0.295 177.381 177.584 0.154 0.000 1.097 376 A CA -0.693 51.384 52.037 0.067 0.000 0.849 376 A CB 0.492 19.503 19.000 0.019 0.000 1.142 376 A HN 0.457 nan 8.150 nan 0.000 0.499 377 R N 0.621 121.170 120.500 0.081 0.000 2.489 377 R HA 0.203 4.543 4.340 -0.000 0.000 0.287 377 R C -0.162 176.175 176.300 0.062 0.000 1.053 377 R CA -0.214 55.934 56.100 0.079 0.000 1.036 377 R CB 0.083 30.385 30.300 0.003 0.000 0.966 377 R HN 0.684 nan 8.270 nan 0.000 0.432 378 I N 8.280 128.906 120.570 0.093 0.000 2.792 378 I HA 0.002 4.171 4.170 -0.000 0.000 0.284 378 I C -1.335 174.643 176.117 -0.231 0.000 1.166 378 I CA -1.404 59.878 61.300 -0.031 0.000 1.375 378 I CB 0.959 38.931 38.000 -0.046 0.000 1.421 378 I HN 0.714 nan 8.210 nan 0.000 0.544 379 P HA -0.035 nan 4.420 nan 0.000 0.239 379 P C -0.115 177.057 177.300 -0.213 0.000 1.184 379 P CA 0.526 63.536 63.100 -0.149 0.000 0.760 379 P CB 0.110 31.768 31.700 -0.069 0.000 0.884 380 S N -0.951 114.541 115.700 -0.346 0.000 2.579 380 S HA 0.416 4.886 4.470 -0.000 0.000 0.290 380 S C -1.378 172.934 174.600 -0.481 0.000 1.123 380 S CA -0.599 57.405 58.200 -0.327 0.000 0.894 380 S CB -0.098 63.037 63.200 -0.108 0.000 1.095 380 S HN -0.199 nan 8.310 nan 0.000 0.450 381 F N 2.817 122.625 119.950 -0.236 0.000 2.983 381 F HA 0.419 4.946 4.527 -0.000 0.000 0.307 381 F C 1.129 176.809 175.800 -0.201 0.000 1.218 381 F CA -0.391 57.290 58.000 -0.531 0.000 1.323 381 F CB 0.762 39.379 39.000 -0.637 0.000 0.989 381 F HN 0.511 nan 8.300 nan 0.000 0.509 382 S N 0.344 116.101 115.700 0.094 0.000 2.474 382 S HA 0.156 4.625 4.470 -0.000 0.000 0.276 382 S C 1.321 175.924 174.600 0.006 0.000 1.227 382 S CA -0.111 58.128 58.200 0.065 0.000 1.050 382 S CB 0.446 63.670 63.200 0.041 0.000 0.939 382 S HN 0.500 nan 8.310 nan 0.000 0.490 383 T N 1.716 116.115 114.554 -0.258 0.000 3.169 383 T HA 0.169 4.519 4.350 -0.000 0.000 0.250 383 T C 0.823 175.199 174.700 -0.540 0.000 1.111 383 T CA -0.062 61.435 62.100 -1.006 0.000 1.010 383 T CB -0.024 68.364 68.868 -0.801 0.000 0.984 383 T HN 0.362 nan 8.240 nan 0.000 0.537 384 S N 2.360 117.945 115.700 -0.192 0.000 2.552 384 S HA 0.277 4.747 4.470 -0.000 0.000 0.246 384 S C 0.558 175.176 174.600 0.030 0.000 1.019 384 S CA -0.476 57.686 58.200 -0.063 0.000 1.045 384 S CB -0.159 63.019 63.200 -0.036 0.000 0.784 384 S HN 0.865 nan 8.310 nan 0.000 0.453 385 T N -2.568 112.049 114.554 0.105 0.000 2.912 385 T HA 0.348 4.698 4.350 -0.000 0.000 0.288 385 T C 1.278 176.131 174.700 0.255 0.000 1.030 385 T CA -0.525 61.711 62.100 0.226 0.000 1.020 385 T CB 1.429 70.528 68.868 0.383 0.000 1.056 385 T HN -0.081 nan 8.240 nan 0.000 0.480 386 T N 1.952 116.666 114.554 0.267 0.000 2.684 386 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 386 T C 2.398 177.224 174.700 0.210 0.000 1.036 386 T CA 1.758 63.991 62.100 0.221 0.000 1.148 386 T CB -0.849 68.145 68.868 0.209 0.000 0.863 386 T HN 0.862 nan 8.240 nan 0.000 0.436 387 A N 0.563 123.523 122.820 0.232 0.000 1.892 387 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 387 A C 2.084 179.703 177.584 0.058 0.000 1.188 387 A CA 1.830 53.874 52.037 0.011 0.000 0.631 387 A CB -1.145 17.661 19.000 -0.323 0.000 0.822 387 A HN 0.563 nan 8.150 nan 0.000 0.447 388 Y N 0.688 121.002 120.300 0.024 0.000 2.070 388 Y HA -0.292 4.258 4.550 -0.000 0.000 0.280 388 Y C 2.704 178.607 175.900 0.006 0.000 1.148 388 Y CA 2.454 60.566 58.100 0.020 0.000 1.125 388 Y CB -0.593 37.907 38.460 0.065 0.000 0.975 388 Y HN 0.473 nan 8.280 nan 0.000 0.492 389 Q N -1.028 118.969 119.800 0.328 0.000 2.197 389 Q HA -0.201 4.139 4.340 -0.000 0.000 0.207 389 Q C 2.316 178.363 176.000 0.078 0.000 0.984 389 Q CA 1.829 57.749 55.803 0.196 0.000 0.869 389 Q CB -0.489 28.333 28.738 0.141 0.000 0.906 389 Q HN 0.398 nan 8.270 nan 0.000 0.426 390 V N 1.230 121.175 119.914 0.051 0.000 2.270 390 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 390 V C 2.156 178.222 176.094 -0.048 0.000 1.043 390 V CA 1.602 63.901 62.300 -0.002 0.000 1.014 390 V CB -0.391 31.429 31.823 -0.004 0.000 0.645 390 V HN 0.358 nan 8.190 nan 0.000 0.447 391 I N 0.232 120.751 120.570 -0.085 0.000 2.286 391 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 391 I C 2.660 178.692 176.117 -0.141 0.000 1.115 391 I CA 2.009 63.230 61.300 -0.131 0.000 1.392 391 I CB -0.569 37.316 38.000 -0.192 0.000 1.065 391 I HN 0.484 nan 8.210 nan 0.000 0.418 392 Q N 1.810 121.524 119.800 -0.143 0.000 2.170 392 Q HA -0.200 4.140 4.340 -0.000 0.000 0.203 392 Q C 2.008 177.975 176.000 -0.054 0.000 0.976 392 Q CA 1.444 57.186 55.803 -0.101 0.000 0.858 392 Q CB 0.017 28.753 28.738 -0.002 0.000 0.907 392 Q HN 0.423 nan 8.270 nan 0.000 0.433 393 K N -0.015 120.362 120.400 -0.038 0.000 2.186 393 K HA 0.041 4.361 4.320 -0.000 0.000 0.202 393 K C 2.019 178.586 176.600 -0.055 0.000 1.052 393 K CA 0.790 57.056 56.287 -0.035 0.000 0.965 393 K CB 0.241 32.727 32.500 -0.024 0.000 0.746 393 K HN 0.310 nan 8.250 nan 0.000 0.457 394 L N -0.206 120.976 121.223 -0.067 0.000 2.357 394 L HA 0.114 4.454 4.340 -0.000 0.000 0.211 394 L C 2.444 179.262 176.870 -0.087 0.000 1.075 394 L CA 0.267 55.060 54.840 -0.077 0.000 0.830 394 L CB -0.335 41.677 42.059 -0.079 0.000 0.996 394 L HN 0.020 nan 8.230 nan 0.000 0.467 395 A N 1.281 124.046 122.820 -0.093 0.000 1.917 395 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 395 A C -0.220 177.302 177.584 -0.103 0.000 1.182 395 A CA 1.826 53.803 52.037 -0.100 0.000 0.633 395 A CB -1.781 17.156 19.000 -0.105 0.000 0.819 395 A HN 0.256 nan 8.150 nan 0.000 0.448 396 P HA -0.079 nan 4.420 nan 0.000 0.222 396 P C 1.333 178.573 177.300 -0.101 0.000 1.147 396 P CA 0.580 63.624 63.100 -0.093 0.000 0.790 396 P CB -0.114 31.541 31.700 -0.075 0.000 0.780 397 L N -0.783 120.382 121.223 -0.098 0.000 2.131 397 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 397 L C 2.305 179.095 176.870 -0.135 0.000 1.092 397 L CA 1.331 56.111 54.840 -0.099 0.000 0.759 397 L CB -0.474 41.534 42.059 -0.085 0.000 0.903 397 L HN 0.000 nan 8.230 nan 0.000 0.435 398 R N -0.198 120.209 120.500 -0.155 0.000 2.285 398 R HA -0.100 4.240 4.340 -0.000 0.000 0.213 398 R C 1.804 177.956 176.300 -0.247 0.000 1.068 398 R CA 0.629 56.602 56.100 -0.211 0.000 1.004 398 R CB -0.001 30.178 30.300 -0.201 0.000 0.873 398 R HN 0.417 nan 8.270 nan 0.000 0.467 399 K N -0.079 120.206 120.400 -0.193 0.000 2.262 399 K HA 0.027 4.346 4.320 -0.000 0.000 0.200 399 K C 2.186 178.690 176.600 -0.161 0.000 1.058 399 K CA 0.942 57.117 56.287 -0.187 0.000 0.974 399 K CB 0.302 32.712 32.500 -0.150 0.000 0.910 399 K HN 0.273 nan 8.250 nan 0.000 0.484 400 C N 0.580 119.801 119.300 -0.131 0.000 2.563 400 C HA 0.235 4.695 4.460 -0.000 0.000 0.268 400 C C 0.778 175.707 174.990 -0.102 0.000 1.365 400 C CA -0.487 58.468 59.018 -0.105 0.000 1.754 400 C CB -0.836 26.855 27.740 -0.082 0.000 1.932 400 C HN 0.171 nan 8.230 nan 0.000 0.536 401 N N 1.695 120.323 118.700 -0.119 0.000 2.623 401 N HA 0.287 5.027 4.740 -0.000 0.000 0.256 401 N C -1.865 173.556 175.510 -0.148 0.000 1.045 401 N CA -1.600 51.394 53.050 -0.094 0.000 0.863 401 N CB 1.676 40.130 38.487 -0.054 0.000 1.182 401 N HN 0.120 nan 8.380 nan 0.000 0.523 402 P HA -0.152 nan 4.420 nan 0.000 0.218 402 P C 1.051 178.224 177.300 -0.212 0.000 1.146 402 P CA 0.899 63.815 63.100 -0.307 0.000 0.813 402 P CB 0.326 31.979 31.700 -0.079 0.000 0.778 403 A N -0.225 122.611 122.820 0.027 0.000 1.940 403 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 403 A C 2.239 179.836 177.584 0.020 0.000 1.176 403 A CA 1.561 53.673 52.037 0.124 0.000 0.631 403 A CB -1.498 17.589 19.000 0.144 0.000 0.814 403 A HN 0.194 nan 8.150 nan 0.000 0.446 404 I N -1.077 119.450 120.570 -0.070 0.000 2.716 404 I HA -0.059 4.111 4.170 -0.000 0.000 0.259 404 I C 2.645 178.653 176.117 -0.182 0.000 1.172 404 I CA 0.875 62.119 61.300 -0.093 0.000 1.478 404 I CB 0.023 37.967 38.000 -0.094 0.000 1.104 404 I HN 0.307 nan 8.210 nan 0.000 0.439 405 A N -0.421 122.190 122.820 -0.348 0.000 1.943 405 A HA -0.021 4.299 4.320 -0.000 0.000 0.213 405 A C 1.502 178.817 177.584 -0.449 0.000 1.181 405 A CA 1.169 52.892 52.037 -0.522 0.000 0.653 405 A CB -0.248 18.234 19.000 -0.862 0.000 0.833 405 A HN 0.417 nan 8.150 nan 0.000 0.451 406 Y N -0.591 119.538 120.300 -0.285 0.000 2.527 406 Y HA 0.351 4.901 4.550 -0.000 0.000 0.247 406 Y C 1.584 177.467 175.900 -0.028 0.000 1.138 406 Y CA -0.972 56.952 58.100 -0.294 0.000 1.228 406 Y CB -0.771 37.131 38.460 -0.931 0.000 1.252 406 Y HN 0.206 nan 8.280 nan 0.000 0.531 407 G N 0.976 109.869 108.800 0.156 0.000 2.699 407 G HA2 0.310 4.270 3.960 -0.000 0.000 0.246 407 G HA3 0.310 4.270 3.960 -0.000 0.000 0.246 407 G C 0.259 175.283 174.900 0.206 0.000 1.219 407 G CA -0.042 45.215 45.100 0.261 0.000 0.866 407 G HN 0.254 nan 8.290 nan 0.000 0.572 408 S N -1.126 114.693 115.700 0.198 0.000 2.646 408 S HA 0.633 5.103 4.470 -0.000 0.000 0.276 408 S C -0.056 174.627 174.600 0.139 0.000 1.222 408 S CA -0.586 57.702 58.200 0.147 0.000 1.014 408 S CB 1.741 65.018 63.200 0.127 0.000 0.991 408 S HN 0.533 nan 8.310 nan 0.000 0.533 409 T N 2.136 116.762 114.554 0.121 0.000 2.779 409 T HA 0.548 4.898 4.350 -0.000 0.000 0.280 409 T C -0.696 174.087 174.700 0.137 0.000 0.987 409 T CA -0.513 61.669 62.100 0.138 0.000 0.966 409 T CB 1.074 69.999 68.868 0.095 0.000 0.933 409 T HN 0.732 nan 8.240 nan 0.000 0.442 410 Q N 2.368 122.273 119.800 0.175 0.000 2.289 410 Q HA 0.312 4.651 4.340 -0.000 0.000 0.270 410 Q C -1.145 174.972 176.000 0.195 0.000 1.038 410 Q CA -0.762 55.133 55.803 0.152 0.000 0.812 410 Q CB 1.779 30.591 28.738 0.123 0.000 1.300 410 Q HN 0.594 nan 8.270 nan 0.000 0.427 411 E N 3.371 123.672 120.200 0.168 0.000 2.354 411 E HA 0.159 4.509 4.350 -0.000 0.000 0.269 411 E C -0.435 176.265 176.600 0.166 0.000 1.036 411 E CA 0.145 56.659 56.400 0.190 0.000 0.876 411 E CB 0.771 30.556 29.700 0.140 0.000 1.009 411 E HN 0.805 nan 8.360 nan 0.000 0.416 412 R N 3.002 123.625 120.500 0.206 0.000 2.541 412 R HA 0.168 4.508 4.340 -0.000 0.000 0.332 412 R C -0.537 175.934 176.300 0.284 0.000 0.951 412 R CA -0.270 55.950 56.100 0.199 0.000 1.136 412 R CB 0.999 31.412 30.300 0.189 0.000 1.449 412 R HN 0.545 nan 8.270 nan 0.000 0.531 413 W N 0.727 122.068 121.300 0.069 0.000 3.818 413 W HA 0.540 5.200 4.660 -0.000 0.000 0.283 413 W C -1.908 174.623 176.519 0.020 0.000 1.265 413 W CA -0.538 56.831 57.345 0.039 0.000 1.226 413 W CB 1.282 30.764 29.460 0.037 0.000 1.281 413 W HN -0.155 nan 8.180 nan 0.000 0.539 414 I N 5.463 126.015 120.570 -0.030 0.000 2.800 414 I HA 0.427 4.597 4.170 -0.000 0.000 0.294 414 I C -1.497 174.455 176.117 -0.274 0.000 1.538 414 I CA -0.453 60.804 61.300 -0.072 0.000 1.010 414 I CB 1.705 39.589 38.000 -0.193 0.000 1.381 414 I HN 0.676 nan 8.210 nan 0.000 0.462 415 N N 2.978 121.546 118.700 -0.219 0.000 3.526 415 N HA 0.292 5.032 4.740 -0.000 0.000 0.328 415 N C -0.682 174.698 175.510 -0.217 0.000 1.601 415 N CA -0.596 52.379 53.050 -0.126 0.000 0.834 415 N CB 0.233 38.753 38.487 0.055 0.000 1.983 415 N HN 0.536 nan 8.380 nan 0.000 0.579 416 N N -1.065 117.665 118.700 0.050 0.000 2.166 416 N HA -0.071 4.669 4.740 -0.000 0.000 0.186 416 N C -0.241 175.235 175.510 -0.057 0.000 1.019 416 N CA 1.337 54.416 53.050 0.049 0.000 0.856 416 N CB -0.049 38.496 38.487 0.098 0.000 0.993 416 N HN 0.463 nan 8.380 nan 0.000 0.426 417 D N -0.197 120.185 120.400 -0.029 0.000 2.463 417 D HA 0.098 4.738 4.640 -0.000 0.000 0.237 417 D C 0.273 176.555 176.300 -0.029 0.000 1.013 417 D CA 0.251 54.223 54.000 -0.046 0.000 0.910 417 D CB 0.484 41.283 40.800 -0.001 0.000 1.080 417 D HN -0.092 nan 8.370 nan 0.000 0.498 418 V N 1.847 121.793 119.914 0.054 0.000 2.567 418 V HA 0.372 4.492 4.120 -0.000 0.000 0.289 418 V C -0.366 175.805 176.094 0.128 0.000 1.049 418 V CA -0.570 61.804 62.300 0.123 0.000 0.969 418 V CB 1.965 33.930 31.823 0.236 0.000 0.995 418 V HN 0.006 nan 8.190 nan 0.000 0.471 419 L N 6.147 127.470 121.223 0.168 0.000 2.528 419 L HA 0.607 4.947 4.340 -0.000 0.000 0.267 419 L C -1.014 176.049 176.870 0.321 0.000 0.961 419 L CA 0.169 55.142 54.840 0.222 0.000 0.866 419 L CB 1.519 43.681 42.059 0.172 0.000 1.248 419 L HN 0.558 nan 8.230 nan 0.000 0.404 420 I N 6.284 127.057 120.570 0.338 0.000 2.382 420 I HA 0.380 4.550 4.170 -0.000 0.000 0.285 420 I C -1.077 175.223 176.117 0.305 0.000 1.007 420 I CA -0.743 60.721 61.300 0.273 0.000 1.142 420 I CB 1.019 39.195 38.000 0.293 0.000 1.289 420 I HN 0.589 nan 8.210 nan 0.000 0.453 421 Y N 3.127 123.545 120.300 0.197 0.000 2.468 421 Y HA 0.717 5.267 4.550 -0.000 0.000 0.342 421 Y C -0.527 175.458 175.900 0.143 0.000 1.021 421 Y CA -1.328 56.872 58.100 0.167 0.000 1.079 421 Y CB 1.033 39.598 38.460 0.175 0.000 1.226 421 Y HN 0.479 nan 8.280 nan 0.000 0.460 422 E N 2.849 123.193 120.200 0.239 0.000 2.171 422 E HA 0.440 4.790 4.350 -0.000 0.000 0.271 422 E C -1.070 175.644 176.600 0.190 0.000 0.916 422 E CA -1.127 55.364 56.400 0.152 0.000 0.774 422 E CB 0.849 30.622 29.700 0.123 0.000 1.128 422 E HN 0.597 nan 8.360 nan 0.000 0.403 423 R N 3.588 124.181 120.500 0.156 0.000 2.338 423 R HA 0.437 4.777 4.340 -0.000 0.000 0.317 423 R C -0.601 175.788 176.300 0.149 0.000 0.968 423 R CA -0.517 55.678 56.100 0.159 0.000 0.849 423 R CB 1.349 31.730 30.300 0.134 0.000 1.128 423 R HN 0.451 nan 8.270 nan 0.000 0.448 424 K N 2.516 123.018 120.400 0.171 0.000 2.468 424 K HA 0.470 4.790 4.320 -0.000 0.000 0.252 424 K C -1.649 175.114 176.600 0.273 0.000 0.932 424 K CA -0.683 55.715 56.287 0.184 0.000 0.794 424 K CB 1.753 34.330 32.500 0.129 0.000 1.241 424 K HN 0.416 nan 8.250 nan 0.000 0.428 425 F N 2.852 122.858 119.950 0.093 0.000 3.051 425 F HA 0.315 4.842 4.527 -0.000 0.000 0.363 425 F C 0.186 176.037 175.800 0.085 0.000 1.257 425 F CA 0.632 58.692 58.000 0.100 0.000 1.126 425 F CB 0.942 40.022 39.000 0.134 0.000 1.476 425 F HN 0.847 nan 8.300 nan 0.000 0.576 426 G N 3.176 111.800 108.800 -0.294 0.000 2.556 426 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.283 426 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.283 426 G C 0.120 175.027 174.900 0.011 0.000 1.177 426 G CA 0.022 45.010 45.100 -0.187 0.000 0.978 426 G HN 0.994 nan 8.290 nan 0.000 0.554 427 S N 2.553 118.293 115.700 0.067 0.000 3.149 427 S HA 0.422 4.892 4.470 -0.000 0.000 0.228 427 S C 0.008 174.743 174.600 0.224 0.000 1.393 427 S CA -0.244 58.057 58.200 0.167 0.000 1.224 427 S CB -0.353 62.940 63.200 0.155 0.000 1.112 427 S HN 0.558 nan 8.310 nan 0.000 0.502 428 N N 1.040 119.873 118.700 0.221 0.000 2.454 428 N HA 0.421 5.161 4.740 -0.000 0.000 0.291 428 N C -1.401 174.253 175.510 0.239 0.000 1.079 428 N CA -0.265 52.919 53.050 0.223 0.000 0.893 428 N CB 2.274 40.872 38.487 0.186 0.000 1.512 428 N HN 0.018 nan 8.380 nan 0.000 0.497 429 V N 0.617 120.696 119.914 0.274 0.000 2.789 429 V HA 0.876 4.996 4.120 -0.000 0.000 0.311 429 V C -0.677 175.515 176.094 0.164 0.000 1.073 429 V CA -0.790 61.630 62.300 0.199 0.000 0.921 429 V CB 1.954 33.873 31.823 0.161 0.000 1.009 429 V HN 0.799 nan 8.190 nan 0.000 0.426 430 A N 3.798 126.683 122.820 0.109 0.000 2.375 430 A HA 0.840 5.160 4.320 -0.000 0.000 0.295 430 A C -1.220 176.382 177.584 0.031 0.000 1.066 430 A CA -0.477 51.601 52.037 0.069 0.000 0.722 430 A CB 1.644 20.665 19.000 0.036 0.000 1.206 430 A HN 0.690 nan 8.150 nan 0.000 0.435 431 V N 2.918 122.853 119.914 0.035 0.000 2.417 431 V HA 0.547 4.667 4.120 -0.000 0.000 0.291 431 V C -0.256 175.762 176.094 -0.127 0.000 1.024 431 V CA -0.562 61.752 62.300 0.022 0.000 0.861 431 V CB 1.387 33.319 31.823 0.182 0.000 0.985 431 V HN 0.641 nan 8.190 nan 0.000 0.436 432 V N 3.618 123.292 119.914 -0.399 0.000 2.495 432 V HA 0.861 4.981 4.120 -0.000 0.000 0.298 432 V C 0.186 176.019 176.094 -0.436 0.000 1.031 432 V CA -0.498 61.456 62.300 -0.577 0.000 0.871 432 V CB 1.851 33.172 31.823 -0.837 0.000 0.988 432 V HN 1.003 nan 8.190 nan 0.000 0.432 433 A N 4.517 127.143 122.820 -0.322 0.000 2.335 433 A HA 0.862 5.182 4.320 -0.000 0.000 0.304 433 A C -1.075 176.507 177.584 -0.003 0.000 1.118 433 A CA -0.497 51.502 52.037 -0.063 0.000 0.757 433 A CB 1.513 20.555 19.000 0.070 0.000 1.188 433 A HN 0.672 nan 8.150 nan 0.000 0.460 434 V N 2.937 122.929 119.914 0.131 0.000 2.531 434 V HA 0.412 4.532 4.120 -0.000 0.000 0.301 434 V C -0.558 175.625 176.094 0.149 0.000 1.034 434 V CA -0.751 61.654 62.300 0.175 0.000 0.865 434 V CB 1.927 33.944 31.823 0.324 0.000 0.995 434 V HN 0.876 nan 8.190 nan 0.000 0.424 435 N N 3.562 122.332 118.700 0.118 0.000 2.706 435 N HA 0.239 4.979 4.740 -0.000 0.000 0.240 435 N C 1.079 176.634 175.510 0.074 0.000 1.039 435 N CA -0.836 52.261 53.050 0.079 0.000 0.888 435 N CB 0.979 39.506 38.487 0.068 0.000 1.128 435 N HN 0.632 nan 8.380 nan 0.000 0.512 436 R N 1.332 121.849 120.500 0.029 0.000 2.341 436 R HA 0.013 4.353 4.340 -0.000 0.000 0.213 436 R C 0.290 176.599 176.300 0.016 0.000 1.082 436 R CA 0.520 56.625 56.100 0.009 0.000 1.017 436 R CB -0.465 29.718 30.300 -0.196 0.000 0.860 436 R HN 0.241 nan 8.270 nan 0.000 0.473 437 N N 1.389 120.101 118.700 0.019 0.000 2.402 437 N HA -0.008 4.732 4.740 -0.000 0.000 0.259 437 N C 0.105 175.639 175.510 0.040 0.000 1.167 437 N CA -0.098 52.966 53.050 0.023 0.000 0.949 437 N CB 0.682 39.184 38.487 0.025 0.000 1.212 437 N HN 0.109 nan 8.380 nan 0.000 0.493 438 L N 3.693 124.942 121.223 0.043 0.000 2.265 438 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 438 L C 1.058 177.953 176.870 0.042 0.000 1.117 438 L CA 1.449 56.319 54.840 0.051 0.000 0.782 438 L CB -0.411 41.681 42.059 0.056 0.000 0.914 438 L HN 0.569 nan 8.230 nan 0.000 0.441 439 N N -1.446 117.274 118.700 0.034 0.000 2.197 439 N HA 0.366 5.106 4.740 -0.000 0.000 0.201 439 N C 0.118 175.645 175.510 0.029 0.000 1.148 439 N CA 0.389 53.457 53.050 0.030 0.000 0.883 439 N CB 0.709 39.210 38.487 0.024 0.000 1.012 439 N HN 0.178 nan 8.380 nan 0.000 0.507 440 A N 0.974 123.813 122.820 0.031 0.000 2.422 440 A HA 0.665 4.984 4.320 -0.000 0.000 0.302 440 A C -2.805 174.800 177.584 0.034 0.000 1.041 440 A CA -1.499 50.557 52.037 0.031 0.000 0.708 440 A CB 1.432 20.450 19.000 0.030 0.000 1.257 440 A HN -0.160 nan 8.150 nan 0.000 0.414 441 P HA 0.558 nan 4.420 nan 0.000 0.276 441 P C -0.547 176.763 177.300 0.017 0.000 1.252 441 P CA -0.213 62.904 63.100 0.029 0.000 0.802 441 P CB 1.256 32.973 31.700 0.029 0.000 1.035 442 A N 0.566 123.380 122.820 -0.010 0.000 2.365 442 A HA 0.574 4.894 4.320 -0.000 0.000 0.318 442 A C -0.398 177.099 177.584 -0.145 0.000 1.091 442 A CA -0.493 51.510 52.037 -0.058 0.000 0.763 442 A CB 0.995 19.933 19.000 -0.102 0.000 1.248 442 A HN 0.333 nan 8.150 nan 0.000 0.442 443 S N 1.768 117.385 115.700 -0.138 0.000 2.466 443 S HA 0.434 4.904 4.470 -0.000 0.000 0.313 443 S C -0.512 173.864 174.600 -0.374 0.000 1.078 443 S CA -0.460 57.626 58.200 -0.189 0.000 1.115 443 S CB -0.838 62.327 63.200 -0.058 0.000 1.006 443 S HN 0.440 nan 8.310 nan 0.000 0.487 444 I N 5.255 125.362 120.570 -0.771 0.000 2.363 444 I HA 0.239 4.409 4.170 -0.000 0.000 0.292 444 I C 0.619 176.337 176.117 -0.665 0.000 1.075 444 I CA 0.245 60.834 61.300 -1.186 0.000 1.333 444 I CB 0.282 37.106 38.000 -1.961 0.000 1.415 444 I HN 0.589 nan 8.210 nan 0.000 0.502 445 S N 3.249 118.845 115.700 -0.173 0.000 2.570 445 S HA 0.775 5.245 4.470 -0.000 0.000 0.286 445 S C 0.538 175.269 174.600 0.219 0.000 1.099 445 S CA -0.233 57.972 58.200 0.007 0.000 0.913 445 S CB 1.878 65.103 63.200 0.041 0.000 1.085 445 S HN 1.243 nan 8.310 nan 0.000 0.480 446 G N 0.294 109.167 108.800 0.121 0.000 2.198 446 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.260 446 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.260 446 G C -0.271 174.752 174.900 0.204 0.000 1.025 446 G CA 0.429 45.612 45.100 0.138 0.000 0.769 446 G HN 1.392 nan 8.290 nan 0.000 0.507 447 L N 0.534 121.876 121.223 0.198 0.000 2.281 447 L HA 0.742 5.082 4.340 -0.000 0.000 0.285 447 L C 0.112 177.054 176.870 0.120 0.000 1.074 447 L CA -0.688 54.295 54.840 0.238 0.000 0.817 447 L CB 1.615 43.747 42.059 0.122 0.000 1.168 447 L HN 0.021 nan 8.230 nan 0.000 0.434 448 V N 4.970 124.953 119.914 0.115 0.000 2.581 448 V HA 0.764 4.884 4.120 -0.000 0.000 0.303 448 V C 0.386 176.512 176.094 0.053 0.000 1.041 448 V CA 0.256 62.592 62.300 0.059 0.000 0.907 448 V CB 2.018 33.871 31.823 0.050 0.000 0.994 448 V HN 1.047 nan 8.190 nan 0.000 0.442 449 T N 0.609 115.170 114.554 0.011 0.000 2.669 449 T HA 0.345 4.695 4.350 -0.000 0.000 0.283 449 T C 0.380 175.067 174.700 -0.022 0.000 1.019 449 T CA -0.179 61.921 62.100 0.000 0.000 1.039 449 T CB 1.865 70.709 68.868 -0.040 0.000 1.374 449 T HN 0.304 nan 8.240 nan 0.000 0.523 450 S N -0.187 115.497 115.700 -0.028 0.000 2.557 450 S HA 0.388 4.858 4.470 -0.000 0.000 0.223 450 S C 0.375 174.919 174.600 -0.094 0.000 0.969 450 S CA -0.489 57.690 58.200 -0.035 0.000 0.927 450 S CB -0.615 62.587 63.200 0.003 0.000 0.806 450 S HN 0.457 nan 8.310 nan 0.000 0.489 451 L N 3.033 124.169 121.223 -0.146 0.000 2.367 451 L HA 0.279 4.619 4.340 -0.000 0.000 0.275 451 L C -2.255 174.501 176.870 -0.189 0.000 1.129 451 L CA -1.951 52.743 54.840 -0.243 0.000 0.839 451 L CB 0.249 42.012 42.059 -0.493 0.000 1.133 451 L HN -0.063 nan 8.230 nan 0.000 0.453 452 P HA -0.055 nan 4.420 nan 0.000 0.270 452 P C -1.028 176.284 177.300 0.019 0.000 1.227 452 P CA -0.323 62.684 63.100 -0.155 0.000 0.788 452 P CB 0.367 31.880 31.700 -0.313 0.000 0.926 453 Q N 0.830 120.634 119.800 0.006 0.000 2.286 453 Q HA 0.473 4.813 4.340 -0.000 0.000 0.267 453 Q C -0.052 175.984 176.000 0.060 0.000 1.028 453 Q CA 0.087 55.913 55.803 0.039 0.000 0.901 453 Q CB -0.180 28.562 28.738 0.007 0.000 1.183 453 Q HN 0.659 nan 8.270 nan 0.000 0.392 454 G N 1.579 110.445 108.800 0.110 0.000 2.335 454 G HA2 0.241 4.201 3.960 -0.000 0.000 0.291 454 G HA3 0.241 4.201 3.960 -0.000 0.000 0.291 454 G C -1.698 173.211 174.900 0.014 0.000 1.261 454 G CA -0.507 44.591 45.100 -0.004 0.000 0.871 454 G HN 0.492 nan 8.290 nan 0.000 0.491 455 S N -0.770 114.834 115.700 -0.160 0.000 2.473 455 S HA 0.737 5.207 4.470 -0.000 0.000 0.307 455 S C -1.658 172.801 174.600 -0.235 0.000 1.094 455 S CA -0.474 57.675 58.200 -0.084 0.000 1.070 455 S CB 0.552 63.708 63.200 -0.073 0.000 1.019 455 S HN 0.440 nan 8.310 nan 0.000 0.480 456 Y N 3.241 123.482 120.300 -0.099 0.000 2.328 456 Y HA 0.445 4.995 4.550 -0.000 0.000 0.333 456 Y C 0.402 176.353 175.900 0.085 0.000 0.958 456 Y CA -1.245 56.850 58.100 -0.008 0.000 1.167 456 Y CB 0.797 39.248 38.460 -0.015 0.000 1.151 456 Y HN 0.533 nan 8.280 nan 0.000 0.470 457 N N 1.750 120.589 118.700 0.232 0.000 2.525 457 N HA 0.024 4.764 4.740 -0.000 0.000 0.271 457 N C -0.624 175.068 175.510 0.304 0.000 1.194 457 N CA -0.368 52.807 53.050 0.209 0.000 0.964 457 N CB 0.500 39.046 38.487 0.098 0.000 1.126 457 N HN 0.602 nan 8.380 nan 0.000 0.452 458 D N 0.687 121.219 120.400 0.221 0.000 2.417 458 D HA -0.001 4.639 4.640 -0.000 0.000 0.250 458 D C 0.859 177.158 176.300 -0.001 0.000 1.166 458 D CA -0.085 53.944 54.000 0.047 0.000 0.881 458 D CB 0.740 41.538 40.800 -0.003 0.000 1.164 458 D HN 0.150 nan 8.370 nan 0.000 0.467 459 V N 4.209 124.086 119.914 -0.063 0.000 2.759 459 V HA -0.156 3.964 4.120 -0.000 0.000 0.256 459 V C 2.023 178.087 176.094 -0.051 0.000 1.080 459 V CA 1.133 63.410 62.300 -0.039 0.000 1.101 459 V CB -0.434 31.357 31.823 -0.053 0.000 0.698 459 V HN 0.624 nan 8.190 nan 0.000 0.477 460 L N 0.661 121.834 121.223 -0.084 0.000 2.627 460 L HA 0.268 4.608 4.340 -0.000 0.000 0.233 460 L C 1.713 178.565 176.870 -0.030 0.000 1.144 460 L CA 0.560 55.364 54.840 -0.060 0.000 0.892 460 L CB -0.811 41.198 42.059 -0.082 0.000 1.039 460 L HN 0.470 nan 8.230 nan 0.000 0.442 461 G N 0.654 109.443 108.800 -0.019 0.000 2.450 461 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.302 461 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.302 461 G C 1.142 176.045 174.900 0.006 0.000 0.957 461 G CA 0.614 45.716 45.100 0.003 0.000 1.005 461 G HN 0.688 nan 8.290 nan 0.000 0.514 462 G N -1.528 107.272 108.800 -0.000 0.000 2.253 462 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.251 462 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.251 462 G C 1.267 176.171 174.900 0.008 0.000 0.998 462 G CA 0.926 46.031 45.100 0.008 0.000 0.621 462 G HN 1.487 nan 8.290 nan 0.000 0.524 463 L N 0.339 121.565 121.223 0.005 0.000 2.034 463 L HA 0.019 4.359 4.340 -0.000 0.000 0.217 463 L C 1.898 178.780 176.870 0.021 0.000 1.077 463 L CA 2.699 57.549 54.840 0.016 0.000 0.769 463 L CB -0.181 41.888 42.059 0.017 0.000 0.890 463 L HN 0.463 nan 8.230 nan 0.000 0.435 464 L N -0.495 120.732 121.223 0.008 0.000 3.108 464 L HA 0.287 4.627 4.340 -0.000 0.000 0.251 464 L C 0.291 177.170 176.870 0.016 0.000 1.315 464 L CA -0.143 54.709 54.840 0.019 0.000 1.048 464 L CB -0.502 41.568 42.059 0.018 0.000 1.432 464 L HN 0.298 nan 8.230 nan 0.000 0.543 465 N N -0.997 117.713 118.700 0.017 0.000 2.741 465 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 465 N C 0.782 176.304 175.510 0.020 0.000 1.112 465 N CA 0.829 53.894 53.050 0.024 0.000 0.750 465 N CB -1.196 37.313 38.487 0.037 0.000 1.119 465 N HN 0.625 nan 8.380 nan 0.000 0.561 466 G N 0.046 108.839 108.800 -0.012 0.000 2.683 466 G HA2 0.399 4.359 3.960 -0.000 0.000 0.260 466 G HA3 0.399 4.359 3.960 -0.000 0.000 0.260 466 G C 0.290 175.207 174.900 0.028 0.000 1.238 466 G CA 0.101 45.178 45.100 -0.039 0.000 0.934 466 G HN 0.461 nan 8.290 nan 0.000 0.534 467 N N -1.960 116.800 118.700 0.100 0.000 2.902 467 N HA 0.302 5.042 4.740 -0.000 0.000 0.268 467 N C -0.906 174.749 175.510 0.242 0.000 1.450 467 N CA -0.624 52.495 53.050 0.115 0.000 0.819 467 N CB 0.993 39.502 38.487 0.036 0.000 1.540 467 N HN 0.339 nan 8.380 nan 0.000 0.545 468 T N 0.784 115.390 114.554 0.087 0.000 2.913 468 T HA 0.344 4.694 4.350 -0.000 0.000 0.297 468 T C -0.058 174.477 174.700 -0.275 0.000 1.029 468 T CA -0.193 61.927 62.100 0.035 0.000 1.104 468 T CB 0.426 69.288 68.868 -0.009 0.000 0.964 468 T HN 0.358 nan 8.240 nan 0.000 0.532 469 L N 1.902 122.825 121.223 -0.500 0.000 2.334 469 L HA 0.626 4.965 4.340 -0.000 0.000 0.273 469 L C -0.552 176.119 176.870 -0.332 0.000 1.013 469 L CA -0.088 54.257 54.840 -0.825 0.000 0.816 469 L CB 2.166 43.227 42.059 -1.664 0.000 1.278 469 L HN 0.588 nan 8.230 nan 0.000 0.431 470 S N 2.710 118.252 115.700 -0.262 0.000 2.659 470 S HA 0.698 5.168 4.470 -0.000 0.000 0.312 470 S C -1.147 173.402 174.600 -0.085 0.000 1.114 470 S CA -0.546 57.596 58.200 -0.096 0.000 1.063 470 S CB 1.568 64.730 63.200 -0.063 0.000 0.996 470 S HN 0.335 nan 8.310 nan 0.000 0.478 471 V N 3.166 123.065 119.914 -0.025 0.000 2.407 471 V HA 0.647 4.767 4.120 -0.000 0.000 0.291 471 V C 0.913 177.005 176.094 -0.002 0.000 1.018 471 V CA -0.516 61.762 62.300 -0.038 0.000 0.842 471 V CB 1.345 33.126 31.823 -0.069 0.000 0.996 471 V HN 0.924 nan 8.190 nan 0.000 0.426 472 G N 3.502 112.295 108.800 -0.012 0.000 2.504 472 G HA2 0.445 4.405 3.960 -0.000 0.000 0.257 472 G HA3 0.445 4.405 3.960 -0.000 0.000 0.257 472 G C 0.350 175.245 174.900 -0.008 0.000 1.451 472 G CA -0.054 45.043 45.100 -0.005 0.000 1.059 472 G HN 0.788 nan 8.290 nan 0.000 0.550 473 S N -1.657 114.039 115.700 -0.007 0.000 2.608 473 S HA 0.442 4.912 4.470 -0.000 0.000 0.261 473 S C 1.433 176.027 174.600 -0.010 0.000 1.314 473 S CA 0.520 58.715 58.200 -0.009 0.000 0.992 473 S CB 0.932 64.128 63.200 -0.006 0.000 0.935 473 S HN 2.238 nan 8.310 nan 0.000 0.564 474 G N 0.160 108.953 108.800 -0.012 0.000 2.234 474 G HA2 0.023 3.983 3.960 -0.000 0.000 0.260 474 G HA3 0.023 3.983 3.960 -0.000 0.000 0.260 474 G C 1.143 176.033 174.900 -0.015 0.000 0.987 474 G CA 0.516 45.610 45.100 -0.009 0.000 0.625 474 G HN 2.347 nan 8.290 nan 0.000 0.532 475 G N -0.649 108.135 108.800 -0.027 0.000 2.143 475 G HA2 0.196 4.155 3.960 -0.000 0.000 0.248 475 G HA3 0.196 4.155 3.960 -0.000 0.000 0.248 475 G C 0.696 175.573 174.900 -0.038 0.000 0.991 475 G CA 1.140 46.212 45.100 -0.046 0.000 0.689 475 G HN 2.343 nan 8.290 nan 0.000 0.522 476 A N -0.094 122.713 122.820 -0.021 0.000 2.454 476 A HA 0.784 5.104 4.320 -0.000 0.000 0.260 476 A C 0.880 178.452 177.584 -0.020 0.000 1.106 476 A CA 0.930 52.962 52.037 -0.008 0.000 0.780 476 A CB 0.500 19.502 19.000 0.002 0.000 1.044 476 A HN 2.072 nan 8.150 nan 0.000 0.498 477 A N 3.176 125.988 122.820 -0.014 0.000 2.331 477 A HA 0.591 4.911 4.320 -0.000 0.000 0.283 477 A C 0.767 178.360 177.584 0.015 0.000 1.142 477 A CA -0.297 51.727 52.037 -0.022 0.000 0.812 477 A CB 0.186 19.182 19.000 -0.007 0.000 1.074 477 A HN 0.867 nan 8.150 nan 0.000 0.497 478 S N 1.244 116.955 115.700 0.017 0.000 2.579 478 S HA 0.071 4.541 4.470 -0.000 0.000 0.275 478 S C 0.584 175.229 174.600 0.075 0.000 1.345 478 S CA -0.257 57.962 58.200 0.033 0.000 1.031 478 S CB 0.039 63.252 63.200 0.020 0.000 0.892 478 S HN 0.802 nan 8.310 nan 0.000 0.529 479 N N 1.153 119.868 118.700 0.025 0.000 2.407 479 N HA 0.336 5.076 4.740 -0.000 0.000 0.250 479 N C -0.548 175.003 175.510 0.068 0.000 1.236 479 N CA 0.453 53.485 53.050 -0.031 0.000 0.879 479 N CB 0.142 38.611 38.487 -0.030 0.000 1.088 479 N HN 0.503 nan 8.380 nan 0.000 0.450 480 F N -2.096 117.798 119.950 -0.093 0.000 2.668 480 F HA 0.479 5.006 4.527 -0.000 0.000 0.309 480 F C -0.984 174.766 175.800 -0.082 0.000 1.117 480 F CA -1.107 56.843 58.000 -0.083 0.000 0.951 480 F CB 0.894 39.836 39.000 -0.096 0.000 1.323 480 F HN 0.082 nan 8.300 nan 0.000 0.451 481 T N 3.147 117.837 114.554 0.226 0.000 2.799 481 T HA 0.509 4.858 4.350 -0.000 0.000 0.286 481 T C -1.066 173.798 174.700 0.273 0.000 0.973 481 T CA -0.274 61.894 62.100 0.114 0.000 1.035 481 T CB 1.159 70.081 68.868 0.090 0.000 0.932 481 T HN 0.671 nan 8.240 nan 0.000 0.469 482 L N 4.695 126.004 121.223 0.142 0.000 2.287 482 L HA 0.645 4.985 4.340 -0.000 0.000 0.280 482 L C 0.569 177.501 176.870 0.104 0.000 1.055 482 L CA -0.555 54.407 54.840 0.203 0.000 0.863 482 L CB -0.493 41.653 42.059 0.144 0.000 1.245 482 L HN 0.800 nan 8.230 nan 0.000 0.432 483 A N 4.162 127.046 122.820 0.107 0.000 2.653 483 A HA 0.312 4.632 4.320 -0.000 0.000 0.227 483 A C 0.807 178.428 177.584 0.062 0.000 1.066 483 A CA 0.567 52.648 52.037 0.073 0.000 0.771 483 A CB -0.214 18.827 19.000 0.068 0.000 0.980 483 A HN 1.222 nan 8.150 nan 0.000 0.507 484 A N 1.392 124.243 122.820 0.052 0.000 2.522 484 A HA 0.503 4.823 4.320 -0.000 0.000 0.256 484 A C 1.754 179.373 177.584 0.058 0.000 1.086 484 A CA 0.845 52.912 52.037 0.050 0.000 0.763 484 A CB -1.038 17.988 19.000 0.043 0.000 1.024 484 A HN 2.834 nan 8.150 nan 0.000 0.502 485 G N 2.106 110.946 108.800 0.067 0.000 2.184 485 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.264 485 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.264 485 G C 0.972 175.921 174.900 0.080 0.000 0.975 485 G CA 0.549 45.699 45.100 0.083 0.000 0.642 485 G HN 1.997 nan 8.290 nan 0.000 0.536 486 G N -0.613 108.229 108.800 0.069 0.000 2.559 486 G HA2 0.508 4.468 3.960 -0.000 0.000 0.235 486 G HA3 0.508 4.468 3.960 -0.000 0.000 0.235 486 G C -0.052 174.874 174.900 0.044 0.000 1.266 486 G CA 1.136 46.269 45.100 0.055 0.000 0.847 486 G HN 0.911 nan 8.290 nan 0.000 0.583 487 T N 0.279 114.829 114.554 -0.005 0.000 3.109 487 T HA 0.611 4.961 4.350 -0.000 0.000 0.311 487 T C -0.338 174.256 174.700 -0.177 0.000 1.011 487 T CA 0.074 62.141 62.100 -0.056 0.000 1.026 487 T CB 1.558 70.417 68.868 -0.014 0.000 1.047 487 T HN 1.118 nan 8.240 nan 0.000 0.448 488 A N 2.658 125.252 122.820 -0.376 0.000 2.414 488 A HA 0.899 5.219 4.320 -0.000 0.000 0.306 488 A C -1.043 175.916 177.584 -1.043 0.000 1.054 488 A CA -0.706 50.917 52.037 -0.691 0.000 0.724 488 A CB 1.522 20.030 19.000 -0.820 0.000 1.267 488 A HN 0.652 nan 8.150 nan 0.000 0.418 489 V N 2.528 121.893 119.914 -0.915 0.000 2.487 489 V HA 0.551 4.671 4.120 -0.000 0.000 0.298 489 V C -1.064 174.639 176.094 -0.652 0.000 1.028 489 V CA -0.512 61.366 62.300 -0.703 0.000 0.860 489 V CB 1.394 33.022 31.823 -0.326 0.000 0.991 489 V HN 0.833 nan 8.190 nan 0.000 0.427 490 W N 3.942 125.205 121.300 -0.061 0.000 2.736 490 W HA 0.767 5.427 4.660 -0.000 0.000 0.335 490 W C -0.262 176.262 176.519 0.009 0.000 1.059 490 W CA -0.731 56.603 57.345 -0.019 0.000 1.226 490 W CB 2.067 31.456 29.460 -0.119 0.000 1.416 490 W HN 0.729 nan 8.180 nan 0.000 0.505 491 Q N 1.181 121.198 119.800 0.361 0.000 2.534 491 Q HA 0.718 5.058 4.340 -0.000 0.000 0.290 491 Q C -2.154 174.111 176.000 0.442 0.000 0.991 491 Q CA -1.076 54.898 55.803 0.285 0.000 0.783 491 Q CB 3.325 32.153 28.738 0.150 0.000 1.470 491 Q HN 0.349 nan 8.270 nan 0.000 0.406 492 Y N 0.225 120.644 120.300 0.198 0.000 2.482 492 Y HA 0.675 5.225 4.550 -0.000 0.000 0.334 492 Y C -1.786 174.180 175.900 0.111 0.000 1.091 492 Y CA -0.124 58.093 58.100 0.196 0.000 1.027 492 Y CB 2.393 41.007 38.460 0.258 0.000 1.306 492 Y HN 0.980 nan 8.280 nan 0.000 0.446 493 T N 2.352 116.565 114.554 -0.568 0.000 2.900 493 T HA 1.004 5.354 4.350 -0.000 0.000 0.295 493 T C -0.840 173.474 174.700 -0.642 0.000 1.044 493 T CA -0.351 61.493 62.100 -0.427 0.000 0.995 493 T CB 1.779 70.531 68.868 -0.193 0.000 1.072 493 T HN 1.276 nan 8.240 nan 0.000 0.473 494 A N 1.139 123.761 122.820 -0.329 0.000 2.599 494 A HA 0.922 5.242 4.320 -0.000 0.000 0.290 494 A C -0.462 177.089 177.584 -0.055 0.000 1.101 494 A CA -0.768 51.152 52.037 -0.194 0.000 0.674 494 A CB 0.702 19.638 19.000 -0.107 0.000 1.277 494 A HN 1.661 nan 8.150 nan 0.000 0.419 495 A N 0.561 123.367 122.820 -0.025 0.000 2.450 495 A HA 0.562 4.882 4.320 -0.000 0.000 0.255 495 A C 0.511 178.103 177.584 0.014 0.000 1.096 495 A CA 0.443 52.477 52.037 -0.004 0.000 0.778 495 A CB -0.488 18.513 19.000 0.001 0.000 1.031 495 A HN 0.906 nan 8.150 nan 0.000 0.494 496 T N 2.340 116.898 114.554 0.007 0.000 2.884 496 T HA 0.402 4.752 4.350 -0.000 0.000 0.298 496 T C 1.501 176.203 174.700 0.003 0.000 0.998 496 T CA 0.344 62.442 62.100 -0.004 0.000 1.124 496 T CB 1.444 70.288 68.868 -0.040 0.000 0.931 496 T HN 0.851 nan 8.240 nan 0.000 0.531 497 A N 3.336 126.162 122.820 0.009 0.000 1.861 497 A HA 0.154 4.474 4.320 -0.000 0.000 0.212 497 A C 1.472 179.075 177.584 0.033 0.000 1.199 497 A CA 0.615 52.666 52.037 0.024 0.000 0.613 497 A CB -0.579 18.436 19.000 0.025 0.000 0.846 497 A HN 0.786 nan 8.150 nan 0.000 0.446 498 T N -1.719 112.847 114.554 0.021 0.000 2.918 498 T HA 0.536 4.886 4.350 -0.000 0.000 0.283 498 T C -3.024 171.707 174.700 0.051 0.000 1.001 498 T CA -2.179 59.946 62.100 0.043 0.000 1.041 498 T CB 1.056 69.941 68.868 0.029 0.000 1.028 498 T HN -0.057 nan 8.240 nan 0.000 0.511 499 P HA 0.310 nan 4.420 nan 0.000 0.271 499 P C -0.710 176.677 177.300 0.145 0.000 1.233 499 P CA -0.105 63.127 63.100 0.219 0.000 0.764 499 P CB 0.324 32.241 31.700 0.362 0.000 0.825 500 T N 4.667 119.247 114.554 0.044 0.000 2.840 500 T HA 0.478 4.828 4.350 -0.000 0.000 0.287 500 T C 0.222 175.022 174.700 0.166 0.000 0.991 500 T CA -0.396 61.698 62.100 -0.010 0.000 0.964 500 T CB 0.617 69.284 68.868 -0.334 0.000 0.954 500 T HN 0.161 nan 8.240 nan 0.000 0.438 501 I N 2.729 123.469 120.570 0.283 0.000 2.312 501 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 501 I C 1.321 177.650 176.117 0.353 0.000 1.031 501 I CA -0.137 61.365 61.300 0.337 0.000 1.293 501 I CB 1.251 39.392 38.000 0.235 0.000 1.403 501 I HN 0.910 nan 8.210 nan 0.000 0.484 502 G N 5.171 114.054 108.800 0.138 0.000 2.833 502 G HA2 0.047 4.007 3.960 -0.000 0.000 0.210 502 G HA3 0.047 4.007 3.960 -0.000 0.000 0.210 502 G C 0.354 175.068 174.900 -0.310 0.000 1.139 502 G CA 0.288 45.263 45.100 -0.208 0.000 0.771 502 G HN 0.621 nan 8.290 nan 0.000 0.535 503 H N -1.389 117.392 119.070 -0.482 0.000 3.060 503 H HA 0.478 5.034 4.556 -0.000 0.000 0.330 503 H C -2.111 172.824 175.328 -0.655 0.000 1.305 503 H CA -0.248 55.514 56.048 -0.477 0.000 1.209 503 H CB 2.145 31.706 29.762 -0.335 0.000 1.913 503 H HN -0.099 nan 8.280 nan 0.000 0.534 504 V N 1.442 120.700 119.914 -1.093 0.000 2.971 504 V HA 0.735 4.855 4.120 -0.000 0.000 0.309 504 V C -0.158 175.743 176.094 -0.321 0.000 1.130 504 V CA -0.068 61.862 62.300 -0.617 0.000 0.964 504 V CB 2.097 33.463 31.823 -0.761 0.000 1.029 504 V HN 0.977 nan 8.190 nan 0.000 0.427 505 G N 3.557 112.350 108.800 -0.012 0.000 2.633 505 G HA2 0.621 4.581 3.960 -0.000 0.000 0.299 505 G HA3 0.621 4.581 3.960 -0.000 0.000 0.299 505 G C -3.506 171.487 174.900 0.155 0.000 1.501 505 G CA -0.773 44.409 45.100 0.137 0.000 0.887 505 G HN 0.476 nan 8.290 nan 0.000 0.561 506 P HA 0.257 nan 4.420 nan 0.000 0.274 506 P C 0.340 177.730 177.300 0.150 0.000 1.256 506 P CA -0.358 62.828 63.100 0.143 0.000 0.795 506 P CB 0.909 32.660 31.700 0.085 0.000 1.038 507 M N 0.148 119.745 119.600 -0.005 0.000 2.549 507 M HA 0.300 4.780 4.480 -0.000 0.000 0.273 507 M C 0.346 176.318 176.300 -0.546 0.000 1.213 507 M CA 0.357 55.544 55.300 -0.187 0.000 0.976 507 M CB -0.684 31.901 32.600 -0.025 0.000 1.457 507 M HN 0.440 nan 8.290 nan 0.000 0.485 508 M N 0.868 120.175 119.600 -0.488 0.000 2.331 508 M HA 0.563 5.043 4.480 -0.000 0.000 0.249 508 M C -2.284 173.882 176.300 -0.223 0.000 1.010 508 M CA -0.108 54.935 55.300 -0.428 0.000 0.939 508 M CB 1.730 34.183 32.600 -0.245 0.000 2.126 508 M HN 0.103 nan 8.290 nan 0.000 0.472 509 A N 3.621 126.342 122.820 -0.166 0.000 2.544 509 A HA 0.605 4.925 4.320 -0.000 0.000 0.291 509 A C -1.830 175.777 177.584 0.039 0.000 1.055 509 A CA -0.941 51.085 52.037 -0.018 0.000 0.651 509 A CB 1.476 20.508 19.000 0.053 0.000 1.296 509 A HN 0.877 nan 8.150 nan 0.000 0.431 510 K N 0.000 120.421 120.400 0.034 0.000 2.102 510 K HA 0.630 4.950 4.320 -0.000 0.000 0.244 510 K C -2.647 173.974 176.600 0.036 0.000 1.021 510 K CA -1.412 54.895 56.287 0.033 0.000 0.913 510 K CB 0.149 32.657 32.500 0.013 0.000 1.062 510 K HN 0.262 nan 8.250 nan 0.000 0.485 511 P HA 0.014 nan 4.420 nan 0.000 0.269 511 P C 0.450 177.724 177.300 -0.042 0.000 1.209 511 P CA 1.061 64.134 63.100 -0.046 0.000 0.776 511 P CB 0.757 32.418 31.700 -0.065 0.000 0.876 512 G N 0.482 109.240 108.800 -0.069 0.000 2.308 512 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.221 512 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.221 512 G C 0.114 174.995 174.900 -0.031 0.000 1.032 512 G CA -0.054 45.014 45.100 -0.053 0.000 0.623 512 G HN 0.532 nan 8.290 nan 0.000 0.506 513 V N 2.461 122.373 119.914 -0.003 0.000 2.763 513 V HA 0.407 4.527 4.120 -0.000 0.000 0.306 513 V C 1.150 177.260 176.094 0.027 0.000 1.059 513 V CA 0.969 63.281 62.300 0.020 0.000 1.138 513 V CB 1.271 33.126 31.823 0.054 0.000 0.940 513 V HN 0.383 nan 8.190 nan 0.000 0.489 514 T N 5.957 120.522 114.554 0.018 0.000 2.889 514 T HA 0.596 4.946 4.350 -0.000 0.000 0.291 514 T C -0.116 174.614 174.700 0.049 0.000 0.995 514 T CA -0.030 62.081 62.100 0.019 0.000 1.092 514 T CB 0.606 69.472 68.868 -0.004 0.000 0.954 514 T HN 0.647 nan 8.240 nan 0.000 0.506 515 I N -0.249 120.352 120.570 0.051 0.000 2.740 515 I HA 0.731 4.901 4.170 -0.000 0.000 0.303 515 I C -0.573 175.538 176.117 -0.009 0.000 1.044 515 I CA -0.735 60.597 61.300 0.054 0.000 1.064 515 I CB 2.448 40.501 38.000 0.089 0.000 1.249 515 I HN 0.363 nan 8.210 nan 0.000 0.433 516 T N 6.082 120.629 114.554 -0.010 0.000 2.772 516 T HA 0.597 4.947 4.350 -0.000 0.000 0.288 516 T C -0.286 174.361 174.700 -0.089 0.000 0.994 516 T CA -0.076 61.999 62.100 -0.042 0.000 0.951 516 T CB 0.704 69.575 68.868 0.004 0.000 0.933 516 T HN 0.394 nan 8.240 nan 0.000 0.447 517 I N 3.737 124.207 120.570 -0.166 0.000 2.330 517 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 517 I C -0.318 175.756 176.117 -0.073 0.000 1.001 517 I CA -0.529 60.637 61.300 -0.223 0.000 1.193 517 I CB 1.121 38.880 38.000 -0.401 0.000 1.345 517 I HN 0.495 nan 8.210 nan 0.000 0.461 518 D N 4.841 125.236 120.400 -0.009 0.000 2.342 518 D HA 0.786 5.426 4.640 -0.000 0.000 0.243 518 D C 0.200 176.448 176.300 -0.086 0.000 1.019 518 D CA -0.119 53.907 54.000 0.043 0.000 0.864 518 D CB 2.468 43.241 40.800 -0.045 0.000 1.315 518 D HN 0.718 nan 8.370 nan 0.000 0.468 519 G N 0.493 109.195 108.800 -0.164 0.000 2.485 519 G HA2 0.374 4.334 3.960 -0.000 0.000 0.182 519 G HA3 0.374 4.334 3.960 -0.000 0.000 0.182 519 G C -1.345 173.338 174.900 -0.362 0.000 1.172 519 G CA -0.485 44.455 45.100 -0.268 0.000 0.996 519 G HN 0.312 nan 8.290 nan 0.000 0.496 520 R N -1.323 118.914 120.500 -0.439 0.000 2.707 520 R HA 0.669 5.009 4.340 -0.000 0.000 0.272 520 R C 0.552 176.586 176.300 -0.443 0.000 1.011 520 R CA 0.218 56.120 56.100 -0.329 0.000 0.893 520 R CB 1.274 31.603 30.300 0.047 0.000 1.233 520 R HN 2.190 nan 8.270 nan 0.000 0.464 521 G N 1.100 109.750 108.800 -0.249 0.000 2.159 521 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.256 521 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.256 521 G C 0.510 175.468 174.900 0.097 0.000 0.977 521 G CA 0.472 45.531 45.100 -0.069 0.000 0.652 521 G HN 0.401 nan 8.290 nan 0.000 0.531 522 F N 1.049 121.041 119.950 0.070 0.000 2.134 522 F HA 0.337 4.864 4.527 -0.000 0.000 0.299 522 F C 2.147 178.195 175.800 0.413 0.000 1.097 522 F CA 1.851 59.926 58.000 0.126 0.000 1.264 522 F CB -0.959 37.873 39.000 -0.280 0.000 1.001 522 F HN 1.321 nan 8.300 nan 0.000 0.479 523 G N -0.906 108.180 108.800 0.475 0.000 2.662 523 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 523 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 523 G C 0.580 175.776 174.900 0.493 0.000 1.271 523 G CA -0.254 45.081 45.100 0.393 0.000 0.816 523 G HN 0.230 nan 8.290 nan 0.000 0.608 524 S N -0.677 115.198 115.700 0.292 0.000 2.446 524 S HA 0.280 4.750 4.470 -0.000 0.000 0.225 524 S C 1.417 176.142 174.600 0.208 0.000 1.016 524 S CA 1.197 59.559 58.200 0.271 0.000 0.943 524 S CB 0.158 63.444 63.200 0.143 0.000 0.786 524 S HN 0.989 nan 8.310 nan 0.000 0.508 525 S N 1.945 117.661 115.700 0.026 0.000 2.584 525 S HA 0.257 4.727 4.470 -0.000 0.000 0.273 525 S C 0.273 174.464 174.600 -0.682 0.000 1.311 525 S CA -0.562 57.523 58.200 -0.192 0.000 1.034 525 S CB 0.460 63.564 63.200 -0.159 0.000 0.939 525 S HN 0.268 nan 8.310 nan 0.000 0.513 526 K N 1.659 121.680 120.400 -0.633 0.000 2.469 526 K HA 0.233 4.553 4.320 -0.000 0.000 0.274 526 K C 0.709 176.642 176.600 -1.112 0.000 0.983 526 K CA -0.001 55.693 56.287 -0.988 0.000 0.974 526 K CB 0.425 32.676 32.500 -0.414 0.000 0.913 526 K HN 0.723 nan 8.250 nan 0.000 0.493 527 G N 1.143 108.973 108.800 -1.615 0.000 3.291 527 G HA2 0.344 4.304 3.960 -0.000 0.000 0.173 527 G HA3 0.344 4.304 3.960 -0.000 0.000 0.173 527 G C -0.937 173.644 174.900 -0.531 0.000 1.099 527 G CA -0.242 44.312 45.100 -0.911 0.000 0.794 527 G HN 0.464 nan 8.290 nan 0.000 0.651 528 T N -0.273 114.131 114.554 -0.249 0.000 2.912 528 T HA 0.628 4.978 4.350 -0.000 0.000 0.288 528 T C -0.969 173.654 174.700 -0.128 0.000 1.030 528 T CA -0.244 61.717 62.100 -0.231 0.000 1.020 528 T CB 2.031 70.680 68.868 -0.365 0.000 1.056 528 T HN 0.348 nan 8.240 nan 0.000 0.480 529 V N 2.636 122.395 119.914 -0.258 0.000 2.656 529 V HA 0.543 4.663 4.120 -0.000 0.000 0.307 529 V C -1.552 174.402 176.094 -0.233 0.000 1.051 529 V CA -0.941 61.296 62.300 -0.105 0.000 0.893 529 V CB 1.421 33.277 31.823 0.054 0.000 0.999 529 V HN 0.829 nan 8.190 nan 0.000 0.426 530 Y N 3.296 123.666 120.300 0.118 0.000 2.409 530 Y HA 0.665 5.215 4.550 -0.000 0.000 0.343 530 Y C -0.590 175.414 175.900 0.173 0.000 0.973 530 Y CA -1.099 57.102 58.100 0.167 0.000 1.064 530 Y CB 1.764 40.285 38.460 0.102 0.000 1.207 530 Y HN 0.506 nan 8.280 nan 0.000 0.452 531 F N 2.581 122.600 119.950 0.114 0.000 2.319 531 F HA 0.567 5.094 4.527 -0.000 0.000 0.356 531 F C 0.885 176.872 175.800 0.311 0.000 1.100 531 F CA -0.415 57.617 58.000 0.054 0.000 1.220 531 F CB 0.711 39.582 39.000 -0.214 0.000 1.506 531 F HN 0.811 nan 8.300 nan 0.000 0.512 532 G N 1.808 110.860 108.800 0.421 0.000 2.596 532 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.258 532 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.258 532 G C 1.089 176.138 174.900 0.248 0.000 1.207 532 G CA 0.290 45.595 45.100 0.343 0.000 0.954 532 G HN 0.621 nan 8.290 nan 0.000 0.551 533 T N -1.791 112.904 114.554 0.234 0.000 3.037 533 T HA 0.380 4.729 4.350 -0.000 0.000 0.251 533 T C 1.218 176.077 174.700 0.265 0.000 1.079 533 T CA 1.583 63.792 62.100 0.182 0.000 1.067 533 T CB 0.087 69.025 68.868 0.116 0.000 0.948 533 T HN 0.789 nan 8.240 nan 0.000 0.496 534 T N 3.327 118.048 114.554 0.278 0.000 2.853 534 T HA 0.554 4.904 4.350 -0.000 0.000 0.298 534 T C 0.242 175.071 174.700 0.215 0.000 0.978 534 T CA -0.185 62.040 62.100 0.208 0.000 1.152 534 T CB 0.318 69.268 68.868 0.136 0.000 0.914 534 T HN 0.577 nan 8.240 nan 0.000 0.539 535 A N 3.795 126.682 122.820 0.113 0.000 2.310 535 A HA 0.688 5.008 4.320 -0.000 0.000 0.299 535 A C -0.447 177.056 177.584 -0.134 0.000 1.147 535 A CA -0.570 51.410 52.037 -0.094 0.000 0.818 535 A CB 0.799 19.751 19.000 -0.080 0.000 1.096 535 A HN 0.663 nan 8.150 nan 0.000 0.495 536 V N 2.379 122.168 119.914 -0.208 0.000 2.525 536 V HA 0.634 4.754 4.120 -0.000 0.000 0.299 536 V C -0.022 175.977 176.094 -0.158 0.000 1.034 536 V CA 0.038 62.243 62.300 -0.159 0.000 0.863 536 V CB 1.477 33.210 31.823 -0.150 0.000 0.999 536 V HN 1.268 nan 8.190 nan 0.000 0.423 537 S N 3.004 118.625 115.700 -0.131 0.000 2.697 537 S HA 0.974 5.444 4.470 -0.000 0.000 0.289 537 S C 0.388 174.927 174.600 -0.102 0.000 1.149 537 S CA 0.112 58.234 58.200 -0.130 0.000 0.850 537 S CB 1.783 64.892 63.200 -0.151 0.000 1.151 537 S HN 2.088 nan 8.310 nan 0.000 0.491 538 G N 1.587 110.322 108.800 -0.109 0.000 2.611 538 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.301 538 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.301 538 G C 1.186 176.050 174.900 -0.059 0.000 1.233 538 G CA 1.418 46.467 45.100 -0.085 0.000 0.993 538 G HN 1.966 nan 8.290 nan 0.000 0.553 539 A N -0.646 122.143 122.820 -0.052 0.000 1.882 539 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 539 A C 2.020 179.580 177.584 -0.039 0.000 1.253 539 A CA 3.240 55.252 52.037 -0.041 0.000 0.664 539 A CB -1.136 17.839 19.000 -0.041 0.000 0.838 539 A HN 0.915 nan 8.150 nan 0.000 0.460 540 D N -0.470 119.898 120.400 -0.053 0.000 2.315 540 D HA -0.065 4.575 4.640 -0.000 0.000 0.211 540 D C 0.478 176.753 176.300 -0.040 0.000 0.977 540 D CA 0.687 54.651 54.000 -0.060 0.000 0.894 540 D CB -0.298 40.446 40.800 -0.094 0.000 0.910 540 D HN 0.514 nan 8.370 nan 0.000 0.490 541 I N 1.405 121.964 120.570 -0.019 0.000 2.256 541 I HA 0.021 4.191 4.170 -0.000 0.000 0.294 541 I C 1.664 177.800 176.117 0.030 0.000 1.127 541 I CA -0.151 61.166 61.300 0.028 0.000 1.247 541 I CB 0.939 38.978 38.000 0.064 0.000 1.460 541 I HN -0.052 nan 8.210 nan 0.000 0.511 542 T N 1.247 115.813 114.554 0.019 0.000 2.746 542 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 542 T C 0.793 175.515 174.700 0.036 0.000 1.039 542 T CA 0.847 62.955 62.100 0.014 0.000 1.142 542 T CB -0.077 68.790 68.868 -0.002 0.000 0.866 542 T HN 0.581 nan 8.240 nan 0.000 0.444 543 S N -0.691 115.045 115.700 0.060 0.000 2.536 543 S HA 0.553 5.023 4.470 -0.000 0.000 0.271 543 S C -1.933 172.765 174.600 0.163 0.000 1.134 543 S CA -1.051 57.202 58.200 0.089 0.000 0.897 543 S CB 2.091 65.319 63.200 0.046 0.000 1.094 543 S HN 0.529 nan 8.310 nan 0.000 0.473 544 W N 3.727 125.014 121.300 -0.021 0.000 2.968 544 W HA 0.515 5.175 4.660 -0.000 0.000 0.337 544 W C -1.289 175.248 176.519 0.029 0.000 1.060 544 W CA -0.565 56.772 57.345 -0.014 0.000 1.240 544 W CB 1.619 31.056 29.460 -0.038 0.000 1.370 544 W HN 1.117 nan 8.180 nan 0.000 0.459 545 E N 1.610 121.882 120.200 0.119 0.000 2.459 545 E HA 0.246 4.595 4.350 -0.000 0.000 0.275 545 E C -0.226 176.458 176.600 0.140 0.000 0.987 545 E CA -0.653 55.862 56.400 0.191 0.000 0.828 545 E CB 1.629 31.393 29.700 0.108 0.000 1.428 545 E HN 0.148 nan 8.360 nan 0.000 0.457 546 D N 0.053 120.542 120.400 0.147 0.000 2.133 546 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 546 D C 1.676 177.951 176.300 -0.040 0.000 0.997 546 D CA 2.694 56.753 54.000 0.099 0.000 0.840 546 D CB 0.089 40.922 40.800 0.054 0.000 0.947 546 D HN 0.573 nan 8.370 nan 0.000 0.452 547 T N -3.352 111.188 114.554 -0.023 0.000 3.054 547 T HA 0.169 4.519 4.350 -0.000 0.000 0.255 547 T C 0.364 175.109 174.700 0.076 0.000 1.035 547 T CA -0.506 61.536 62.100 -0.097 0.000 0.941 547 T CB 0.354 69.187 68.868 -0.059 0.000 1.026 547 T HN 0.126 nan 8.240 nan 0.000 0.533 548 Q N 0.260 120.154 119.800 0.158 0.000 2.320 548 Q HA 0.623 4.963 4.340 -0.000 0.000 0.272 548 Q C -2.085 173.836 176.000 -0.132 0.000 1.023 548 Q CA -0.838 55.004 55.803 0.065 0.000 0.855 548 Q CB 2.006 30.745 28.738 0.002 0.000 1.367 548 Q HN 0.467 nan 8.270 nan 0.000 0.406 549 I N 2.292 122.698 120.570 -0.273 0.000 2.608 549 I HA 0.507 4.677 4.170 -0.000 0.000 0.295 549 I C -0.955 175.046 176.117 -0.192 0.000 1.049 549 I CA -0.973 60.096 61.300 -0.385 0.000 1.063 549 I CB 2.369 39.882 38.000 -0.812 0.000 1.248 549 I HN 0.395 nan 8.210 nan 0.000 0.424 550 K N 4.292 124.634 120.400 -0.096 0.000 2.502 550 K HA 0.708 5.028 4.320 -0.000 0.000 0.254 550 K C -1.523 175.066 176.600 -0.017 0.000 0.947 550 K CA -0.451 55.807 56.287 -0.048 0.000 0.834 550 K CB 2.082 34.567 32.500 -0.026 0.000 1.112 550 K HN 0.388 nan 8.250 nan 0.000 0.427 551 V N 3.195 123.101 119.914 -0.015 0.000 3.012 551 V HA 0.545 4.665 4.120 -0.000 0.000 0.307 551 V C -1.675 174.416 176.094 -0.006 0.000 1.166 551 V CA -0.847 61.453 62.300 -0.000 0.000 0.974 551 V CB 1.900 33.739 31.823 0.026 0.000 1.040 551 V HN 0.716 nan 8.190 nan 0.000 0.428 552 K N 5.299 125.670 120.400 -0.048 0.000 2.144 552 K HA 0.577 4.897 4.320 -0.000 0.000 0.270 552 K C -0.665 175.811 176.600 -0.206 0.000 1.005 552 K CA -0.541 55.700 56.287 -0.077 0.000 0.932 552 K CB 1.644 34.096 32.500 -0.080 0.000 1.021 552 K HN 0.608 nan 8.250 nan 0.000 0.462 553 I N 4.397 124.835 120.570 -0.219 0.000 2.533 553 I HA 0.041 4.211 4.170 -0.000 0.000 0.284 553 I C -1.722 174.096 176.117 -0.498 0.000 1.109 553 I CA -1.748 59.236 61.300 -0.527 0.000 1.412 553 I CB 0.247 38.161 38.000 -0.145 0.000 1.396 553 I HN 0.434 nan 8.210 nan 0.000 0.543 554 P HA 0.044 nan 4.420 nan 0.000 0.272 554 P C -0.567 176.566 177.300 -0.279 0.000 1.240 554 P CA -0.552 62.300 63.100 -0.414 0.000 0.791 554 P CB 0.662 32.105 31.700 -0.428 0.000 0.978 555 A N 1.801 124.520 122.820 -0.169 0.000 3.052 555 A HA 0.326 4.646 4.320 -0.000 0.000 0.266 555 A C 0.711 178.251 177.584 -0.073 0.000 1.855 555 A CA -0.350 51.626 52.037 -0.101 0.000 1.473 555 A CB -1.664 17.297 19.000 -0.065 0.000 1.038 555 A HN 0.409 nan 8.150 nan 0.000 0.619 556 V N -1.463 118.393 119.914 -0.098 0.000 2.716 556 V HA 0.828 4.948 4.120 -0.000 0.000 0.304 556 V C 0.681 176.811 176.094 0.060 0.000 1.053 556 V CA -0.826 61.462 62.300 -0.019 0.000 0.984 556 V CB 0.720 32.488 31.823 -0.092 0.000 1.021 556 V HN 0.960 nan 8.190 nan 0.000 0.467 557 A N 2.670 125.577 122.820 0.145 0.000 2.536 557 A HA 0.477 4.797 4.320 -0.000 0.000 0.234 557 A C 1.068 178.778 177.584 0.210 0.000 1.076 557 A CA 0.392 52.520 52.037 0.153 0.000 0.769 557 A CB -0.567 18.522 19.000 0.149 0.000 1.020 557 A HN 2.161 nan 8.150 nan 0.000 0.508 558 G N 0.047 108.937 108.800 0.150 0.000 2.298 558 G HA2 0.534 4.494 3.960 -0.000 0.000 0.263 558 G HA3 0.534 4.494 3.960 -0.000 0.000 0.263 558 G C 0.338 175.369 174.900 0.218 0.000 1.229 558 G CA 0.604 45.800 45.100 0.159 0.000 0.976 558 G HN 1.552 nan 8.290 nan 0.000 0.459 559 G N 1.068 110.086 108.800 0.364 0.000 2.554 559 G HA2 0.417 4.376 3.960 -0.000 0.000 0.306 559 G HA3 0.417 4.376 3.960 -0.000 0.000 0.306 559 G C -1.433 173.700 174.900 0.387 0.000 1.320 559 G CA -1.012 44.269 45.100 0.301 0.000 0.800 559 G HN 0.693 nan 8.290 nan 0.000 0.481 560 N N -0.635 118.135 118.700 0.116 0.000 2.424 560 N HA 0.682 5.422 4.740 -0.000 0.000 0.271 560 N C -1.281 174.278 175.510 0.082 0.000 0.985 560 N CA -0.346 52.815 53.050 0.185 0.000 0.921 560 N CB 0.955 39.478 38.487 0.062 0.000 1.149 560 N HN 0.398 nan 8.380 nan 0.000 0.492 561 Y N 0.811 121.228 120.300 0.195 0.000 2.686 561 Y HA 0.502 5.052 4.550 -0.000 0.000 0.330 561 Y C -0.206 175.765 175.900 0.117 0.000 1.082 561 Y CA -1.211 56.988 58.100 0.164 0.000 1.158 561 Y CB 1.127 39.716 38.460 0.215 0.000 1.333 561 Y HN 0.424 nan 8.280 nan 0.000 0.519 562 N N 0.609 119.451 118.700 0.236 0.000 2.443 562 N HA 0.401 5.141 4.740 -0.000 0.000 0.269 562 N C -1.568 173.971 175.510 0.049 0.000 0.985 562 N CA -0.373 52.750 53.050 0.123 0.000 0.921 562 N CB 0.842 39.376 38.487 0.079 0.000 1.195 562 N HN 0.324 nan 8.380 nan 0.000 0.492 563 I N 1.723 122.268 120.570 -0.043 0.000 2.441 563 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 563 I C 0.612 176.711 176.117 -0.031 0.000 1.049 563 I CA 0.038 61.214 61.300 -0.206 0.000 1.381 563 I CB 0.294 38.038 38.000 -0.426 0.000 1.409 563 I HN 0.376 nan 8.210 nan 0.000 0.523 564 K N 5.171 125.594 120.400 0.038 0.000 2.533 564 K HA 0.869 5.189 4.320 -0.000 0.000 0.272 564 K C -1.614 175.131 176.600 0.242 0.000 0.985 564 K CA -0.717 55.647 56.287 0.127 0.000 0.876 564 K CB 2.489 35.046 32.500 0.095 0.000 1.452 564 K HN 0.406 nan 8.250 nan 0.000 0.439 565 V N -2.061 117.994 119.914 0.236 0.000 3.206 565 V HA 0.986 5.106 4.120 -0.000 0.000 0.305 565 V C -1.810 174.487 176.094 0.339 0.000 1.257 565 V CA -0.664 61.798 62.300 0.269 0.000 1.057 565 V CB 1.627 33.466 31.823 0.025 0.000 1.075 565 V HN 0.954 nan 8.190 nan 0.000 0.443 566 A N 2.014 125.061 122.820 0.378 0.000 2.459 566 A HA 0.805 5.125 4.320 -0.000 0.000 0.296 566 A C -0.445 177.299 177.584 0.267 0.000 1.039 566 A CA -0.430 51.789 52.037 0.305 0.000 0.698 566 A CB 1.168 20.337 19.000 0.283 0.000 1.261 566 A HN 1.661 nan 8.150 nan 0.000 0.405 567 N N 1.667 120.526 118.700 0.265 0.000 2.260 567 N HA 0.293 5.033 4.740 -0.000 0.000 0.230 567 N C 1.287 176.793 175.510 -0.006 0.000 1.323 567 N CA 0.271 53.441 53.050 0.200 0.000 0.897 567 N CB 0.280 38.897 38.487 0.217 0.000 1.146 567 N HN 0.857 nan 8.380 nan 0.000 0.460 568 A N -0.413 122.345 122.820 -0.104 0.000 1.986 568 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 568 A C 2.075 179.625 177.584 -0.057 0.000 1.171 568 A CA 2.202 54.154 52.037 -0.141 0.000 0.640 568 A CB -1.486 17.426 19.000 -0.147 0.000 0.811 568 A HN 0.911 nan 8.150 nan 0.000 0.451 569 A N -2.239 120.577 122.820 -0.008 0.000 2.206 569 A HA 0.386 4.705 4.320 -0.000 0.000 0.211 569 A C 1.894 179.492 177.584 0.024 0.000 1.158 569 A CA 1.303 53.346 52.037 0.010 0.000 0.761 569 A CB -0.831 18.183 19.000 0.023 0.000 0.801 569 A HN 1.914 nan 8.150 nan 0.000 0.473 570 G N -1.878 106.944 108.800 0.037 0.000 2.194 570 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.236 570 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.236 570 G C 0.350 175.299 174.900 0.081 0.000 0.987 570 G CA 0.216 45.351 45.100 0.059 0.000 0.635 570 G HN 0.698 nan 8.290 nan 0.000 0.520 571 T N 2.024 116.629 114.554 0.085 0.000 2.799 571 T HA 0.577 4.927 4.350 -0.000 0.000 0.296 571 T C 0.796 175.570 174.700 0.124 0.000 0.947 571 T CA 0.571 62.725 62.100 0.090 0.000 1.141 571 T CB 1.576 70.496 68.868 0.087 0.000 0.891 571 T HN 1.307 nan 8.240 nan 0.000 0.533 572 A N 3.662 126.543 122.820 0.102 0.000 2.287 572 A HA 0.697 5.016 4.320 -0.000 0.000 0.273 572 A C 0.836 178.487 177.584 0.111 0.000 1.091 572 A CA -0.661 51.445 52.037 0.115 0.000 0.817 572 A CB 0.396 19.424 19.000 0.046 0.000 1.069 572 A HN 0.896 nan 8.150 nan 0.000 0.492 573 S N 0.644 116.421 115.700 0.129 0.000 2.748 573 S HA 0.486 4.956 4.470 -0.000 0.000 0.299 573 S C 0.071 174.719 174.600 0.080 0.000 1.119 573 S CA -0.513 57.761 58.200 0.122 0.000 0.997 573 S CB 0.488 63.801 63.200 0.189 0.000 1.223 573 S HN 0.970 nan 8.310 nan 0.000 0.541 574 N N -0.282 118.464 118.700 0.076 0.000 2.408 574 N HA 0.256 4.996 4.740 -0.000 0.000 0.260 574 N C -0.820 174.738 175.510 0.079 0.000 1.242 574 N CA -0.499 52.586 53.050 0.058 0.000 0.959 574 N CB 0.460 38.973 38.487 0.043 0.000 1.201 574 N HN 0.430 nan 8.380 nan 0.000 0.511 575 V N 1.069 121.018 119.914 0.059 0.000 2.407 575 V HA 0.116 4.236 4.120 -0.000 0.000 0.278 575 V C -0.966 175.183 176.094 0.092 0.000 1.037 575 V CA -0.624 61.717 62.300 0.067 0.000 0.900 575 V CB -0.012 31.830 31.823 0.030 0.000 0.983 575 V HN 0.609 nan 8.190 nan 0.000 0.459 576 Y N 6.125 126.424 120.300 -0.002 0.000 2.491 576 Y HA 0.352 4.902 4.550 -0.000 0.000 0.334 576 Y C 0.524 176.426 175.900 0.003 0.000 0.969 576 Y CA -1.224 56.873 58.100 -0.004 0.000 1.241 576 Y CB 0.474 38.916 38.460 -0.031 0.000 1.105 576 Y HN 0.836 nan 8.280 nan 0.000 0.503 577 D N 2.412 122.824 120.400 0.021 0.000 2.451 577 D HA 0.132 4.772 4.640 -0.000 0.000 0.259 577 D C 0.172 176.538 176.300 0.110 0.000 1.201 577 D CA -0.221 53.819 54.000 0.066 0.000 1.028 577 D CB 1.105 41.908 40.800 0.005 0.000 1.095 577 D HN 0.599 nan 8.370 nan 0.000 0.539 578 N N -2.393 116.378 118.700 0.118 0.000 3.002 578 N HA -0.215 4.525 4.740 -0.000 0.000 0.229 578 N C -1.052 174.552 175.510 0.157 0.000 0.927 578 N CA 0.214 53.331 53.050 0.112 0.000 0.980 578 N CB -2.074 36.449 38.487 0.061 0.000 1.077 578 N HN 0.422 nan 8.380 nan 0.000 0.572 579 F N 2.287 122.296 119.950 0.099 0.000 2.506 579 F HA 0.252 4.779 4.527 -0.000 0.000 0.371 579 F C 0.822 176.715 175.800 0.155 0.000 1.078 579 F CA 0.156 58.212 58.000 0.094 0.000 1.195 579 F CB 0.488 39.498 39.000 0.016 0.000 1.099 579 F HN 0.054 nan 8.300 nan 0.000 0.548 580 E N 5.560 125.538 120.200 -0.370 0.000 2.109 580 E HA 0.309 4.659 4.350 -0.000 0.000 0.278 580 E C -1.334 175.177 176.600 -0.149 0.000 0.954 580 E CA -0.664 55.660 56.400 -0.125 0.000 0.779 580 E CB 1.240 30.870 29.700 -0.117 0.000 1.093 580 E HN 0.421 nan 8.360 nan 0.000 0.401 581 V N 6.638 126.657 119.914 0.175 0.000 2.385 581 V HA 0.167 4.287 4.120 -0.000 0.000 0.269 581 V C 0.663 176.819 176.094 0.104 0.000 1.043 581 V CA -0.291 62.117 62.300 0.180 0.000 0.906 581 V CB 0.715 32.627 31.823 0.149 0.000 0.995 581 V HN 0.693 nan 8.190 nan 0.000 0.467 582 L N 3.553 124.804 121.223 0.046 0.000 2.475 582 L HA 0.210 4.550 4.340 -0.000 0.000 0.250 582 L C 1.427 178.323 176.870 0.044 0.000 1.224 582 L CA 0.020 54.878 54.840 0.030 0.000 0.821 582 L CB 0.610 42.670 42.059 0.002 0.000 1.141 582 L HN 0.605 nan 8.230 nan 0.000 0.494 583 S N -0.379 115.342 115.700 0.035 0.000 2.575 583 S HA 0.337 4.807 4.470 -0.000 0.000 0.215 583 S C 0.371 174.984 174.600 0.021 0.000 0.966 583 S CA 0.408 58.629 58.200 0.034 0.000 0.911 583 S CB 0.222 63.441 63.200 0.032 0.000 0.780 583 S HN 0.924 nan 8.310 nan 0.000 0.514 584 G N 0.993 109.802 108.800 0.015 0.000 2.325 584 G HA2 0.034 3.994 3.960 -0.000 0.000 0.285 584 G HA3 0.034 3.994 3.960 -0.000 0.000 0.285 584 G C -2.164 172.739 174.900 0.004 0.000 1.303 584 G CA -1.094 44.011 45.100 0.008 0.000 0.970 584 G HN 0.096 nan 8.290 nan 0.000 0.490 585 D N 1.040 121.440 120.400 0.001 0.000 2.478 585 D HA 0.334 4.974 4.640 -0.000 0.000 0.234 585 D C 0.366 176.665 176.300 -0.002 0.000 1.154 585 D CA 0.618 54.614 54.000 -0.006 0.000 0.874 585 D CB 0.598 41.395 40.800 -0.005 0.000 1.198 585 D HN 0.329 nan 8.370 nan 0.000 0.455 586 Q N 0.349 120.142 119.800 -0.013 0.000 2.266 586 Q HA 0.597 4.937 4.340 -0.000 0.000 0.261 586 Q C -0.273 175.730 176.000 0.006 0.000 0.985 586 Q CA -0.974 54.828 55.803 -0.002 0.000 0.873 586 Q CB 2.213 30.937 28.738 -0.024 0.000 1.306 586 Q HN 0.344 nan 8.270 nan 0.000 0.447 587 V N -1.951 117.989 119.914 0.044 0.000 2.925 587 V HA 0.700 4.820 4.120 -0.000 0.000 0.311 587 V C -0.394 175.768 176.094 0.114 0.000 1.104 587 V CA -0.977 61.366 62.300 0.073 0.000 0.954 587 V CB 2.033 33.907 31.823 0.085 0.000 1.022 587 V HN 0.700 nan 8.190 nan 0.000 0.427 588 S N 2.659 118.450 115.700 0.152 0.000 2.430 588 S HA 0.694 5.164 4.470 -0.000 0.000 0.289 588 S C -0.483 174.243 174.600 0.209 0.000 1.143 588 S CA -0.352 57.977 58.200 0.215 0.000 1.067 588 S CB 0.400 63.808 63.200 0.346 0.000 0.964 588 S HN 1.034 nan 8.310 nan 0.000 0.485 589 V N 6.105 126.135 119.914 0.193 0.000 2.555 589 V HA 0.575 4.695 4.120 -0.000 0.000 0.302 589 V C 0.264 176.406 176.094 0.080 0.000 1.038 589 V CA -1.058 61.293 62.300 0.086 0.000 0.887 589 V CB 1.673 33.506 31.823 0.017 0.000 0.991 589 V HN 0.922 nan 8.190 nan 0.000 0.434 590 R N 2.997 123.488 120.500 -0.016 0.000 2.368 590 R HA 0.597 4.936 4.340 -0.000 0.000 0.302 590 R C -1.806 174.408 176.300 -0.142 0.000 1.002 590 R CA -0.297 55.841 56.100 0.063 0.000 0.929 590 R CB 0.968 31.333 30.300 0.109 0.000 1.073 590 R HN 0.492 nan 8.270 nan 0.000 0.464 591 F N 3.592 123.546 119.950 0.006 0.000 2.449 591 F HA 0.394 4.921 4.527 -0.000 0.000 0.342 591 F C -0.644 175.160 175.800 0.007 0.000 1.127 591 F CA -0.681 57.307 58.000 -0.020 0.000 0.975 591 F CB 2.308 41.327 39.000 0.030 0.000 1.146 591 F HN 0.162 nan 8.300 nan 0.000 0.444 592 V N 4.812 124.751 119.914 0.043 0.000 2.487 592 V HA 0.522 4.641 4.120 -0.000 0.000 0.298 592 V C -0.836 175.162 176.094 -0.160 0.000 1.028 592 V CA -0.911 61.299 62.300 -0.150 0.000 0.860 592 V CB 1.901 33.479 31.823 -0.409 0.000 0.991 592 V HN 0.487 nan 8.190 nan 0.000 0.427 593 V N 5.681 125.416 119.914 -0.297 0.000 2.448 593 V HA 0.616 4.736 4.120 -0.000 0.000 0.295 593 V C -0.564 175.450 176.094 -0.134 0.000 1.025 593 V CA -0.498 61.543 62.300 -0.430 0.000 0.859 593 V CB 1.979 33.120 31.823 -1.137 0.000 0.988 593 V HN 0.967 nan 8.190 nan 0.000 0.431 594 N N 4.971 123.649 118.700 -0.037 0.000 2.472 594 N HA 0.415 5.155 4.740 -0.000 0.000 0.289 594 N C -0.258 175.277 175.510 0.042 0.000 1.156 594 N CA -0.492 52.573 53.050 0.025 0.000 0.940 594 N CB 0.578 39.092 38.487 0.044 0.000 1.200 594 N HN 0.729 nan 8.380 nan 0.000 0.511 595 N N -0.883 117.817 118.700 -0.001 0.000 2.688 595 N HA -0.195 4.544 4.740 -0.000 0.000 0.258 595 N C -0.992 174.465 175.510 -0.088 0.000 1.016 595 N CA 0.559 53.580 53.050 -0.049 0.000 0.747 595 N CB -1.316 37.175 38.487 0.007 0.000 0.895 595 N HN 0.671 nan 8.380 nan 0.000 0.543 596 A N 0.332 123.055 122.820 -0.162 0.000 2.937 596 A HA 0.424 4.744 4.320 -0.000 0.000 0.338 596 A C 0.956 178.337 177.584 -0.339 0.000 1.273 596 A CA -0.175 51.613 52.037 -0.415 0.000 0.937 596 A CB 0.175 18.888 19.000 -0.478 0.000 1.133 596 A HN 0.411 nan 8.150 nan 0.000 0.491 597 T N 0.210 114.589 114.554 -0.291 0.000 2.903 597 T HA 0.529 4.879 4.350 -0.000 0.000 0.314 597 T C 0.459 175.181 174.700 0.037 0.000 1.078 597 T CA 0.645 62.720 62.100 -0.041 0.000 1.114 597 T CB 0.642 69.513 68.868 0.005 0.000 0.987 597 T HN 0.886 nan 8.240 nan 0.000 0.548 598 T N -1.153 113.595 114.554 0.323 0.000 2.681 598 T HA 0.762 5.112 4.350 -0.000 0.000 0.296 598 T C -0.606 174.168 174.700 0.122 0.000 1.157 598 T CA -0.798 61.390 62.100 0.146 0.000 1.025 598 T CB 1.158 70.143 68.868 0.195 0.000 1.441 598 T HN 1.122 nan 8.240 nan 0.000 0.504 599 A N 0.411 123.267 122.820 0.060 0.000 2.320 599 A HA 0.768 5.088 4.320 -0.000 0.000 0.334 599 A C -0.344 177.255 177.584 0.025 0.000 1.147 599 A CA -0.817 51.239 52.037 0.032 0.000 0.820 599 A CB 0.645 19.657 19.000 0.020 0.000 1.218 599 A HN 0.935 nan 8.150 nan 0.000 0.482 600 L N 1.876 123.098 121.223 -0.002 0.000 2.601 600 L HA 0.365 4.705 4.340 -0.000 0.000 0.277 600 L C 1.344 178.226 176.870 0.019 0.000 1.219 600 L CA 2.439 57.275 54.840 -0.008 0.000 0.915 600 L CB 0.314 42.358 42.059 -0.026 0.000 1.160 600 L HN 1.499 nan 8.230 nan 0.000 0.494 601 G N 2.341 111.165 108.800 0.040 0.000 2.254 601 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.225 601 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.225 601 G C 0.091 175.035 174.900 0.074 0.000 1.003 601 G CA 0.220 45.351 45.100 0.052 0.000 0.622 601 G HN 0.845 nan 8.290 nan 0.000 0.507 602 Q N 0.844 120.689 119.800 0.075 0.000 2.256 602 Q HA 0.670 5.009 4.340 -0.000 0.000 0.257 602 Q C -0.778 175.283 176.000 0.101 0.000 0.936 602 Q CA -0.827 55.016 55.803 0.067 0.000 0.903 602 Q CB 1.036 29.785 28.738 0.019 0.000 1.263 602 Q HN 0.387 nan 8.270 nan 0.000 0.440 603 N N 1.977 120.727 118.700 0.084 0.000 2.262 603 N HA 0.339 5.079 4.740 -0.000 0.000 0.295 603 N C -0.924 174.424 175.510 -0.271 0.000 1.161 603 N CA -0.623 52.392 53.050 -0.059 0.000 0.767 603 N CB 2.236 40.799 38.487 0.126 0.000 1.499 603 N HN 0.404 nan 8.380 nan 0.000 0.476 604 V N 1.751 121.084 119.914 -0.969 0.000 2.715 604 V HA 0.218 4.338 4.120 -0.000 0.000 0.299 604 V C -0.721 175.197 176.094 -0.292 0.000 1.054 604 V CA 0.363 62.272 62.300 -0.651 0.000 1.077 604 V CB -0.431 30.725 31.823 -1.112 0.000 0.972 604 V HN 0.539 nan 8.190 nan 0.000 0.484 605 Y N 2.800 123.002 120.300 -0.164 0.000 2.638 605 Y HA 0.713 5.263 4.550 -0.000 0.000 0.339 605 Y C -0.321 175.557 175.900 -0.037 0.000 1.084 605 Y CA -1.093 56.921 58.100 -0.144 0.000 1.068 605 Y CB 1.915 40.264 38.460 -0.186 0.000 1.294 605 Y HN 0.582 nan 8.280 nan 0.000 0.480 606 L N 1.003 122.225 121.223 -0.001 0.000 2.346 606 L HA 0.908 5.248 4.340 -0.000 0.000 0.274 606 L C -0.572 176.151 176.870 -0.244 0.000 1.007 606 L CA 0.012 54.707 54.840 -0.242 0.000 0.818 606 L CB 2.092 43.889 42.059 -0.436 0.000 1.284 606 L HN 0.689 nan 8.230 nan 0.000 0.424 607 T N 2.527 116.924 114.554 -0.262 0.000 2.900 607 T HA 0.917 5.266 4.350 -0.000 0.000 0.303 607 T C -0.653 173.870 174.700 -0.296 0.000 1.142 607 T CA 0.071 62.066 62.100 -0.175 0.000 1.007 607 T CB 1.462 70.320 68.868 -0.018 0.000 1.156 607 T HN 1.164 nan 8.240 nan 0.000 0.490 608 G N 0.613 109.051 108.800 -0.603 0.000 2.488 608 G HA2 0.425 4.385 3.960 -0.000 0.000 0.301 608 G HA3 0.425 4.385 3.960 -0.000 0.000 0.301 608 G C 0.642 174.730 174.900 -1.354 0.000 1.339 608 G CA 0.095 44.518 45.100 -1.128 0.000 0.803 608 G HN 1.049 nan 8.290 nan 0.000 0.482 609 S N -1.487 113.584 115.700 -1.047 0.000 2.500 609 S HA 0.087 4.557 4.470 -0.000 0.000 0.239 609 S C 1.180 175.653 174.600 -0.212 0.000 0.989 609 S CA 1.152 59.053 58.200 -0.498 0.000 0.951 609 S CB -0.808 62.380 63.200 -0.021 0.000 0.759 609 S HN 1.625 nan 8.310 nan 0.000 0.523 610 V N -0.549 119.255 119.914 -0.184 0.000 2.881 610 V HA 0.641 4.761 4.120 -0.000 0.000 0.316 610 V C 1.313 177.360 176.094 -0.079 0.000 1.070 610 V CA -0.445 61.811 62.300 -0.072 0.000 0.976 610 V CB 1.312 33.122 31.823 -0.022 0.000 1.038 610 V HN 0.219 nan 8.190 nan 0.000 0.446 611 S N 0.237 115.925 115.700 -0.020 0.000 2.399 611 S HA -0.191 4.278 4.470 -0.000 0.000 0.231 611 S C 1.327 175.918 174.600 -0.016 0.000 1.022 611 S CA 1.540 59.737 58.200 -0.006 0.000 0.983 611 S CB -0.689 62.535 63.200 0.040 0.000 0.803 611 S HN 0.887 nan 8.310 nan 0.000 0.480 612 E N 0.563 120.758 120.200 -0.009 0.000 2.401 612 E HA 0.083 4.433 4.350 -0.000 0.000 0.199 612 E C 0.968 177.545 176.600 -0.037 0.000 1.023 612 E CA 0.491 56.889 56.400 -0.003 0.000 0.859 612 E CB -0.163 29.550 29.700 0.022 0.000 0.780 612 E HN 0.366 nan 8.360 nan 0.000 0.523 613 L N -1.428 119.741 121.223 -0.090 0.000 2.959 613 L HA 0.347 4.687 4.340 -0.000 0.000 0.259 613 L C 1.150 177.923 176.870 -0.161 0.000 1.185 613 L CA 0.629 55.370 54.840 -0.165 0.000 0.998 613 L CB 0.661 42.575 42.059 -0.242 0.000 1.337 613 L HN 0.167 nan 8.230 nan 0.000 0.555 614 G N -0.189 108.553 108.800 -0.096 0.000 2.176 614 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.253 614 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.253 614 G C 0.628 175.505 174.900 -0.039 0.000 0.979 614 G CA 0.124 45.192 45.100 -0.053 0.000 0.641 614 G HN 0.259 nan 8.290 nan 0.000 0.530 615 N N -1.204 117.424 118.700 -0.119 0.000 2.716 615 N HA -0.244 4.496 4.740 -0.000 0.000 0.250 615 N C 0.974 176.539 175.510 0.091 0.000 1.033 615 N CA 1.983 54.974 53.050 -0.097 0.000 0.727 615 N CB -1.726 36.774 38.487 0.022 0.000 0.950 615 N HN 1.322 nan 8.380 nan 0.000 0.541 616 W N -3.207 118.164 121.300 0.118 0.000 2.062 616 W HA -0.261 4.399 4.660 -0.000 0.000 0.257 616 W C 0.350 177.007 176.519 0.230 0.000 1.024 616 W CA 0.335 57.808 57.345 0.214 0.000 0.471 616 W CB -1.363 28.194 29.460 0.163 0.000 2.039 616 W HN 0.233 nan 8.180 nan 0.000 1.321 617 D N 1.110 121.678 120.400 0.280 0.000 2.352 617 D HA 0.144 4.784 4.640 -0.000 0.000 0.245 617 D C -0.913 175.447 176.300 0.100 0.000 1.224 617 D CA -1.724 52.386 54.000 0.184 0.000 0.879 617 D CB 1.052 41.913 40.800 0.102 0.000 1.057 617 D HN -0.120 nan 8.370 nan 0.000 0.491 618 P HA -0.096 nan 4.420 nan 0.000 0.221 618 P C 0.974 178.199 177.300 -0.126 0.000 1.145 618 P CA 0.786 63.824 63.100 -0.103 0.000 0.795 618 P CB 0.201 31.793 31.700 -0.179 0.000 0.775 619 A N 0.486 123.273 122.820 -0.054 0.000 1.972 619 A HA -0.171 4.148 4.320 -0.000 0.000 0.219 619 A C 1.823 179.381 177.584 -0.044 0.000 1.169 619 A CA 1.485 53.488 52.037 -0.057 0.000 0.635 619 A CB -0.831 18.158 19.000 -0.018 0.000 0.810 619 A HN 0.244 nan 8.150 nan 0.000 0.446 620 K N -0.157 120.230 120.400 -0.022 0.000 2.397 620 K HA 0.465 4.785 4.320 -0.000 0.000 0.202 620 K C 0.558 177.148 176.600 -0.017 0.000 1.022 620 K CA 0.187 56.469 56.287 -0.008 0.000 1.141 620 K CB 0.217 32.719 32.500 0.003 0.000 0.857 620 K HN 0.400 nan 8.250 nan 0.000 0.514 621 A N 1.708 124.501 122.820 -0.045 0.000 2.521 621 A HA 0.113 4.433 4.320 -0.000 0.000 0.237 621 A C 0.243 177.850 177.584 0.038 0.000 1.087 621 A CA 0.054 52.066 52.037 -0.042 0.000 0.777 621 A CB 0.109 19.044 19.000 -0.109 0.000 1.035 621 A HN 0.178 nan 8.150 nan 0.000 0.510 622 I N 1.441 122.008 120.570 -0.004 0.000 2.331 622 I HA 0.579 4.748 4.170 -0.000 0.000 0.292 622 I C 0.929 176.886 176.117 -0.266 0.000 0.998 622 I CA 1.189 62.440 61.300 -0.083 0.000 1.267 622 I CB -0.219 37.696 38.000 -0.143 0.000 1.386 622 I HN 1.074 nan 8.210 nan 0.000 0.476 623 G N 8.597 117.140 108.800 -0.428 0.000 2.260 623 G HA2 0.012 3.972 3.960 -0.000 0.000 0.250 623 G HA3 0.012 3.972 3.960 -0.000 0.000 0.250 623 G C -3.123 171.421 174.900 -0.593 0.000 1.340 623 G CA -0.782 43.760 45.100 -0.930 0.000 1.056 623 G HN 0.420 nan 8.290 nan 0.000 0.471 624 P HA 0.368 nan 4.420 nan 0.000 0.270 624 P C 0.196 176.987 177.300 -0.847 0.000 1.223 624 P CA -0.004 62.297 63.100 -1.331 0.000 0.785 624 P CB 0.383 31.685 31.700 -0.665 0.000 0.923 625 M N 0.598 119.834 119.600 -0.608 0.000 2.163 625 M HA 0.227 4.707 4.480 -0.000 0.000 0.305 625 M C -0.084 176.192 176.300 -0.040 0.000 1.166 625 M CA 0.058 55.149 55.300 -0.348 0.000 1.132 625 M CB 0.085 32.667 32.600 -0.031 0.000 1.413 625 M HN 0.257 nan 8.290 nan 0.000 0.478 626 Y N 0.616 120.850 120.300 -0.110 0.000 2.457 626 Y HA 0.315 4.865 4.550 -0.000 0.000 0.333 626 Y C 0.270 175.816 175.900 -0.590 0.000 1.119 626 Y CA -1.450 56.387 58.100 -0.437 0.000 1.143 626 Y CB 0.567 38.578 38.460 -0.748 0.000 1.230 626 Y HN 0.637 nan 8.280 nan 0.000 0.469 627 N N -1.145 117.332 118.700 -0.370 0.000 2.475 627 N HA 0.167 4.907 4.740 -0.000 0.000 0.272 627 N C -0.259 175.170 175.510 -0.136 0.000 1.482 627 N CA -0.242 52.593 53.050 -0.358 0.000 0.863 627 N CB 0.223 38.140 38.487 -0.950 0.000 1.400 627 N HN 0.673 nan 8.380 nan 0.000 0.489 628 Q N -0.351 119.429 119.800 -0.032 0.000 2.527 628 Q HA 0.267 4.607 4.340 -0.000 0.000 0.194 628 Q C 1.118 177.117 176.000 -0.001 0.000 0.963 628 Q CA 0.518 56.296 55.803 -0.041 0.000 0.861 628 Q CB 0.362 29.045 28.738 -0.091 0.000 1.051 628 Q HN 0.112 nan 8.270 nan 0.000 0.605 629 V N 0.561 120.484 119.914 0.015 0.000 2.278 629 V HA -0.169 3.951 4.120 -0.000 0.000 0.231 629 V C 2.217 178.200 176.094 -0.185 0.000 1.048 629 V CA 1.345 63.604 62.300 -0.069 0.000 1.015 629 V CB -0.822 30.955 31.823 -0.076 0.000 0.652 629 V HN 0.157 nan 8.190 nan 0.000 0.466 630 V N -1.447 118.214 119.914 -0.422 0.000 2.231 630 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 630 V C 0.881 176.593 176.094 -0.636 0.000 1.054 630 V CA 1.789 63.656 62.300 -0.723 0.000 1.015 630 V CB -0.674 30.432 31.823 -1.196 0.000 0.638 630 V HN 0.498 nan 8.190 nan 0.000 0.444 631 Y N -1.257 118.734 120.300 -0.515 0.000 2.509 631 Y HA 0.663 5.213 4.550 -0.000 0.000 0.341 631 Y C 0.062 175.983 175.900 0.035 0.000 1.038 631 Y CA -1.260 56.758 58.100 -0.137 0.000 1.089 631 Y CB 1.292 39.741 38.460 -0.019 0.000 1.241 631 Y HN 0.099 nan 8.280 nan 0.000 0.468 632 Q N 0.827 120.703 119.800 0.126 0.000 2.235 632 Q HA 0.279 4.619 4.340 -0.000 0.000 0.256 632 Q C -1.210 174.801 176.000 0.018 0.000 0.951 632 Q CA -0.873 54.960 55.803 0.051 0.000 0.890 632 Q CB 1.115 29.862 28.738 0.016 0.000 1.279 632 Q HN 0.590 nan 8.270 nan 0.000 0.444 633 Y N 3.743 123.917 120.300 -0.210 0.000 2.578 633 Y HA 0.137 4.687 4.550 -0.000 0.000 0.339 633 Y C -1.465 174.388 175.900 -0.079 0.000 1.231 633 Y CA -1.481 56.451 58.100 -0.281 0.000 1.461 633 Y CB 0.689 38.923 38.460 -0.377 0.000 1.323 633 Y HN 0.559 nan 8.280 nan 0.000 0.590 634 P HA 0.073 nan 4.420 nan 0.000 0.259 634 P C -1.218 175.949 177.300 -0.222 0.000 1.480 634 P CA 0.276 62.692 63.100 -1.140 0.000 0.842 634 P CB -0.195 30.938 31.700 -0.944 0.000 1.513 635 N N 0.517 119.155 118.700 -0.104 0.000 2.408 635 N HA 0.276 5.016 4.740 -0.000 0.000 0.280 635 N C -0.930 174.636 175.510 0.093 0.000 1.002 635 N CA -0.114 52.989 53.050 0.089 0.000 0.907 635 N CB 0.586 39.145 38.487 0.120 0.000 1.161 635 N HN 0.029 nan 8.380 nan 0.000 0.488 636 W N 2.216 123.483 121.300 -0.055 0.000 2.706 636 W HA 0.493 5.153 4.660 -0.000 0.000 0.346 636 W C -0.203 176.291 176.519 -0.041 0.000 1.071 636 W CA -0.675 56.645 57.345 -0.042 0.000 1.206 636 W CB 0.553 29.944 29.460 -0.115 0.000 1.413 636 W HN 0.435 nan 8.180 nan 0.000 0.542 637 Y N -0.605 119.774 120.300 0.131 0.000 2.677 637 Y HA 0.833 5.383 4.550 -0.000 0.000 0.334 637 Y C -1.792 174.253 175.900 0.242 0.000 1.154 637 Y CA -2.607 55.515 58.100 0.037 0.000 1.070 637 Y CB 1.823 40.189 38.460 -0.156 0.000 1.294 637 Y HN 0.444 nan 8.280 nan 0.000 0.475 638 Y N 0.248 120.668 120.300 0.200 0.000 2.365 638 Y HA 0.239 4.789 4.550 -0.000 0.000 0.324 638 Y C -2.070 173.989 175.900 0.264 0.000 1.330 638 Y CA -1.398 56.770 58.100 0.114 0.000 1.271 638 Y CB 1.280 39.697 38.460 -0.072 0.000 1.306 638 Y HN 0.799 nan 8.280 nan 0.000 0.451 639 D N 4.643 125.043 120.400 0.001 0.000 2.249 639 D HA 0.578 5.218 4.640 -0.000 0.000 0.246 639 D C -0.822 175.588 176.300 0.184 0.000 1.114 639 D CA 0.103 54.206 54.000 0.171 0.000 0.854 639 D CB 1.969 42.902 40.800 0.223 0.000 1.132 639 D HN 0.220 nan 8.370 nan 0.000 0.461 640 V N 1.079 121.173 119.914 0.301 0.000 2.789 640 V HA 0.340 4.460 4.120 -0.000 0.000 0.311 640 V C 0.177 176.413 176.094 0.237 0.000 1.073 640 V CA -1.050 61.418 62.300 0.280 0.000 0.921 640 V CB 2.053 34.035 31.823 0.264 0.000 1.009 640 V HN 0.563 nan 8.190 nan 0.000 0.426 641 S N 4.316 120.119 115.700 0.171 0.000 2.439 641 S HA 0.634 5.104 4.470 -0.000 0.000 0.282 641 S C -0.457 174.216 174.600 0.120 0.000 1.170 641 S CA -0.392 57.880 58.200 0.120 0.000 1.054 641 S CB 0.546 63.778 63.200 0.054 0.000 0.956 641 S HN 1.101 nan 8.310 nan 0.000 0.490 642 V N 1.656 121.657 119.914 0.144 0.000 3.046 642 V HA 0.752 4.871 4.120 -0.000 0.000 0.316 642 V C -2.880 173.271 176.094 0.095 0.000 1.104 642 V CA -3.150 59.239 62.300 0.147 0.000 1.006 642 V CB 1.188 33.174 31.823 0.273 0.000 1.058 642 V HN 0.590 nan 8.190 nan 0.000 0.440 643 P HA 0.200 nan 4.420 nan 0.000 0.266 643 P C -0.013 177.299 177.300 0.019 0.000 1.215 643 P CA 0.563 63.682 63.100 0.032 0.000 0.763 643 P CB 0.328 32.039 31.700 0.018 0.000 0.806 644 A N 4.127 126.957 122.820 0.017 0.000 2.545 644 A HA 0.376 4.696 4.320 -0.000 0.000 0.253 644 A C 1.606 179.183 177.584 -0.012 0.000 1.074 644 A CA 0.701 52.745 52.037 0.011 0.000 0.760 644 A CB -1.256 17.752 19.000 0.013 0.000 1.005 644 A HN 0.847 nan 8.150 nan 0.000 0.506 645 G N 2.075 110.859 108.800 -0.027 0.000 2.166 645 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 645 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 645 G C 0.256 175.110 174.900 -0.076 0.000 0.986 645 G CA 0.776 45.849 45.100 -0.046 0.000 0.683 645 G HN 0.793 nan 8.290 nan 0.000 0.527 646 K N 0.438 120.777 120.400 -0.102 0.000 2.144 646 K HA 0.448 4.768 4.320 -0.000 0.000 0.270 646 K C -0.007 176.468 176.600 -0.208 0.000 1.005 646 K CA -0.263 55.959 56.287 -0.108 0.000 0.932 646 K CB 1.143 33.603 32.500 -0.067 0.000 1.021 646 K HN 0.070 nan 8.250 nan 0.000 0.462 647 T N 3.389 117.859 114.554 -0.140 0.000 2.728 647 T HA 0.393 4.743 4.350 -0.000 0.000 0.296 647 T C 0.346 174.995 174.700 -0.086 0.000 0.940 647 T CA -0.371 61.636 62.100 -0.155 0.000 1.013 647 T CB -0.015 68.821 68.868 -0.053 0.000 0.912 647 T HN 0.297 nan 8.240 nan 0.000 0.484 648 I N 2.689 123.187 120.570 -0.121 0.000 2.562 648 I HA 0.426 4.596 4.170 -0.000 0.000 0.301 648 I C 0.404 176.770 176.117 0.416 0.000 1.003 648 I CA -0.866 60.519 61.300 0.142 0.000 1.127 648 I CB 2.024 40.175 38.000 0.252 0.000 1.304 648 I HN 0.433 nan 8.210 nan 0.000 0.446 649 E N 4.745 125.167 120.200 0.371 0.000 2.171 649 E HA 0.596 4.946 4.350 -0.000 0.000 0.271 649 E C -1.518 175.338 176.600 0.428 0.000 0.916 649 E CA -0.546 56.108 56.400 0.422 0.000 0.774 649 E CB 2.071 32.025 29.700 0.424 0.000 1.128 649 E HN 0.404 nan 8.360 nan 0.000 0.403 650 F N 0.273 120.406 119.950 0.305 0.000 2.662 650 F HA 0.695 5.222 4.527 -0.000 0.000 0.312 650 F C -1.043 174.928 175.800 0.284 0.000 1.113 650 F CA -1.070 56.997 58.000 0.111 0.000 0.951 650 F CB 1.371 40.306 39.000 -0.108 0.000 1.344 650 F HN 0.130 nan 8.300 nan 0.000 0.462 651 K N 0.517 121.059 120.400 0.237 0.000 2.533 651 K HA 0.634 4.954 4.320 -0.000 0.000 0.272 651 K C -2.068 174.403 176.600 -0.215 0.000 0.985 651 K CA -0.797 55.581 56.287 0.151 0.000 0.876 651 K CB 2.646 35.389 32.500 0.405 0.000 1.452 651 K HN 0.557 nan 8.250 nan 0.000 0.439 652 F N 1.557 121.585 119.950 0.129 0.000 2.458 652 F HA 0.509 5.036 4.527 -0.000 0.000 0.330 652 F C 0.193 176.067 175.800 0.122 0.000 1.082 652 F CA -0.711 57.369 58.000 0.134 0.000 0.995 652 F CB 0.920 40.081 39.000 0.269 0.000 1.170 652 F HN 0.069 nan 8.300 nan 0.000 0.478 653 L N 1.153 122.540 121.223 0.273 0.000 2.260 653 L HA 0.659 4.999 4.340 -0.000 0.000 0.265 653 L C -0.880 176.106 176.870 0.193 0.000 1.015 653 L CA -1.222 53.663 54.840 0.076 0.000 0.826 653 L CB 1.998 43.862 42.059 -0.323 0.000 1.373 653 L HN 0.461 nan 8.230 nan 0.000 0.450 654 K N 1.045 121.467 120.400 0.036 0.000 2.652 654 K HA 0.415 4.735 4.320 -0.000 0.000 0.249 654 K C -1.535 175.009 176.600 -0.095 0.000 0.986 654 K CA -0.535 55.715 56.287 -0.061 0.000 0.867 654 K CB 1.954 34.380 32.500 -0.123 0.000 1.201 654 K HN 0.401 nan 8.250 nan 0.000 0.450 655 K N 1.536 121.872 120.400 -0.107 0.000 2.221 655 K HA 0.381 4.701 4.320 -0.000 0.000 0.243 655 K C -0.816 175.747 176.600 -0.061 0.000 0.968 655 K CA -0.910 55.274 56.287 -0.172 0.000 0.846 655 K CB 2.198 34.434 32.500 -0.440 0.000 1.141 655 K HN 0.333 nan 8.250 nan 0.000 0.434 656 Q N 1.036 120.800 119.800 -0.059 0.000 3.147 656 Q HA 0.264 4.604 4.340 -0.000 0.000 0.224 656 Q C -0.447 175.538 176.000 -0.025 0.000 0.901 656 Q CA -0.045 55.750 55.803 -0.013 0.000 0.729 656 Q CB 1.062 29.796 28.738 -0.007 0.000 1.363 656 Q HN 0.928 nan 8.270 nan 0.000 0.467 657 G N 0.944 109.729 108.800 -0.025 0.000 2.498 657 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.245 657 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.245 657 G C 0.416 175.274 174.900 -0.071 0.000 1.204 657 G CA 0.103 45.185 45.100 -0.030 0.000 0.933 657 G HN 0.589 nan 8.290 nan 0.000 0.574 658 S N -0.008 115.657 115.700 -0.058 0.000 2.562 658 S HA 0.265 4.735 4.470 -0.000 0.000 0.221 658 S C 1.050 175.605 174.600 -0.075 0.000 0.975 658 S CA 1.292 59.448 58.200 -0.073 0.000 0.918 658 S CB 0.212 63.387 63.200 -0.042 0.000 0.772 658 S HN 0.900 nan 8.310 nan 0.000 0.531 659 T N 3.347 117.866 114.554 -0.059 0.000 2.799 659 T HA 0.376 4.726 4.350 -0.000 0.000 0.296 659 T C -0.153 174.502 174.700 -0.074 0.000 0.947 659 T CA -0.033 62.041 62.100 -0.042 0.000 1.141 659 T CB 0.852 69.707 68.868 -0.021 0.000 0.891 659 T HN 0.230 nan 8.240 nan 0.000 0.533 660 V N 3.256 123.131 119.914 -0.065 0.000 2.769 660 V HA 0.798 4.918 4.120 -0.000 0.000 0.312 660 V C -0.487 175.580 176.094 -0.046 0.000 1.061 660 V CA -0.446 61.780 62.300 -0.124 0.000 0.931 660 V CB 2.577 34.247 31.823 -0.255 0.000 1.010 660 V HN 0.793 nan 8.190 nan 0.000 0.433 661 T N 6.222 120.746 114.554 -0.051 0.000 2.934 661 T HA 0.384 4.734 4.350 -0.000 0.000 0.328 661 T C -0.823 173.977 174.700 0.168 0.000 1.068 661 T CA -0.022 62.140 62.100 0.104 0.000 1.018 661 T CB 0.205 69.154 68.868 0.135 0.000 1.009 661 T HN 0.750 nan 8.240 nan 0.000 0.471 662 W N 2.542 123.922 121.300 0.133 0.000 2.193 662 W HA 0.189 4.849 4.660 -0.000 0.000 0.338 662 W C 1.146 177.665 176.519 0.000 0.000 1.310 662 W CA -0.296 57.094 57.345 0.074 0.000 1.243 662 W CB 0.329 29.785 29.460 -0.005 0.000 1.165 662 W HN 0.609 nan 8.180 nan 0.000 0.566 663 E N 1.774 121.929 120.200 -0.075 0.000 2.422 663 E HA 0.258 4.608 4.350 -0.000 0.000 0.260 663 E C 0.921 177.346 176.600 -0.292 0.000 1.108 663 E CA 0.070 55.966 56.400 -0.840 0.000 0.943 663 E CB 0.491 29.608 29.700 -0.972 0.000 0.961 663 E HN 0.537 nan 8.360 nan 0.000 0.443 664 G N 1.175 109.774 108.800 -0.335 0.000 2.553 664 G HA2 0.403 4.362 3.960 -0.000 0.000 0.278 664 G HA3 0.403 4.362 3.960 -0.000 0.000 0.278 664 G C 0.604 175.409 174.900 -0.160 0.000 1.349 664 G CA -0.158 44.859 45.100 -0.138 0.000 1.037 664 G HN 0.925 nan 8.290 nan 0.000 0.508 665 G N -0.726 108.002 108.800 -0.121 0.000 2.661 665 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.327 665 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.327 665 G C 0.785 175.582 174.900 -0.172 0.000 1.320 665 G CA 0.848 45.866 45.100 -0.136 0.000 0.997 665 G HN 1.280 nan 8.290 nan 0.000 0.543 666 S N 0.520 116.100 115.700 -0.201 0.000 2.687 666 S HA 0.546 5.016 4.470 -0.000 0.000 0.283 666 S C 0.392 174.817 174.600 -0.292 0.000 1.170 666 S CA -0.589 57.479 58.200 -0.220 0.000 1.008 666 S CB 0.975 64.064 63.200 -0.185 0.000 1.026 666 S HN 0.630 nan 8.310 nan 0.000 0.541 667 N N 1.795 120.368 118.700 -0.212 0.000 2.508 667 N HA 0.186 4.926 4.740 -0.000 0.000 0.264 667 N C -0.286 175.057 175.510 -0.279 0.000 1.216 667 N CA 0.154 53.124 53.050 -0.134 0.000 0.943 667 N CB 0.214 38.728 38.487 0.044 0.000 1.113 667 N HN 0.543 nan 8.380 nan 0.000 0.447 668 H N -0.151 118.708 119.070 -0.352 0.000 2.495 668 H HA 0.449 5.005 4.556 -0.000 0.000 0.350 668 H C -0.183 174.962 175.328 -0.305 0.000 1.202 668 H CA -0.028 55.722 56.048 -0.496 0.000 1.322 668 H CB 1.063 30.131 29.762 -1.157 0.000 1.544 668 H HN 0.389 nan 8.280 nan 0.000 0.565 669 T N 1.799 116.435 114.554 0.137 0.000 2.909 669 T HA 0.475 4.825 4.350 -0.000 0.000 0.299 669 T C -0.845 174.199 174.700 0.574 0.000 1.073 669 T CA -0.835 61.474 62.100 0.348 0.000 0.999 669 T CB 1.540 70.525 68.868 0.196 0.000 1.098 669 T HN 0.557 nan 8.240 nan 0.000 0.477 670 F N -1.223 118.939 119.950 0.354 0.000 2.773 670 F HA 0.777 5.304 4.527 -0.000 0.000 0.314 670 F C -1.743 174.165 175.800 0.180 0.000 1.160 670 F CA -0.941 57.219 58.000 0.266 0.000 0.920 670 F CB 0.944 40.134 39.000 0.316 0.000 1.323 670 F HN 0.480 nan 8.300 nan 0.000 0.457 671 T N 2.310 116.630 114.554 -0.390 0.000 2.812 671 T HA 0.762 5.112 4.350 -0.000 0.000 0.282 671 T C -0.159 174.258 174.700 -0.472 0.000 0.990 671 T CA -0.199 61.603 62.100 -0.498 0.000 0.960 671 T CB 1.275 70.049 68.868 -0.156 0.000 0.948 671 T HN 0.963 nan 8.240 nan 0.000 0.438 672 A N 5.191 127.688 122.820 -0.538 0.000 2.483 672 A HA 0.521 4.841 4.320 -0.000 0.000 0.238 672 A C -2.236 175.339 177.584 -0.015 0.000 1.070 672 A CA -0.877 51.086 52.037 -0.124 0.000 0.770 672 A CB -0.436 18.530 19.000 -0.057 0.000 1.008 672 A HN 0.490 nan 8.150 nan 0.000 0.497 673 P HA 0.190 nan 4.420 nan 0.000 0.273 673 P C 0.548 177.869 177.300 0.036 0.000 1.250 673 P CA -0.115 63.017 63.100 0.053 0.000 0.793 673 P CB 0.621 32.367 31.700 0.077 0.000 1.011 674 S N -1.808 113.910 115.700 0.030 0.000 2.478 674 S HA 0.124 4.594 4.470 -0.000 0.000 0.222 674 S C 0.449 175.065 174.600 0.028 0.000 1.008 674 S CA 0.195 58.408 58.200 0.022 0.000 0.928 674 S CB -0.316 62.894 63.200 0.016 0.000 0.781 674 S HN 0.570 nan 8.310 nan 0.000 0.518 675 S N -0.658 115.066 115.700 0.040 0.000 2.615 675 S HA 0.735 5.205 4.470 -0.000 0.000 0.269 675 S C 0.229 174.869 174.600 0.066 0.000 1.161 675 S CA -0.612 57.615 58.200 0.046 0.000 0.817 675 S CB 1.070 64.292 63.200 0.037 0.000 1.131 675 S HN 0.948 nan 8.310 nan 0.000 0.467 676 G N 1.044 109.895 108.800 0.084 0.000 2.539 676 G HA2 0.036 3.996 3.960 -0.000 0.000 0.256 676 G HA3 0.036 3.996 3.960 -0.000 0.000 0.256 676 G C -0.009 174.966 174.900 0.125 0.000 1.233 676 G CA 0.626 45.790 45.100 0.107 0.000 0.936 676 G HN 2.023 nan 8.290 nan 0.000 0.571 677 T N -2.767 111.859 114.554 0.120 0.000 2.858 677 T HA 1.025 5.375 4.350 -0.000 0.000 0.285 677 T C -0.065 174.692 174.700 0.095 0.000 1.052 677 T CA 0.467 62.643 62.100 0.128 0.000 1.009 677 T CB 1.692 70.650 68.868 0.151 0.000 1.241 677 T HN 2.659 nan 8.240 nan 0.000 0.542 678 A N -0.116 122.752 122.820 0.079 0.000 2.599 678 A HA 0.791 5.111 4.320 -0.000 0.000 0.290 678 A C -0.906 176.667 177.584 -0.019 0.000 1.101 678 A CA -0.911 51.152 52.037 0.042 0.000 0.674 678 A CB 1.399 20.441 19.000 0.070 0.000 1.277 678 A HN 0.953 nan 8.150 nan 0.000 0.419 679 T N 1.860 116.382 114.554 -0.053 0.000 3.031 679 T HA 0.477 4.827 4.350 -0.000 0.000 0.305 679 T C -0.971 173.632 174.700 -0.162 0.000 0.985 679 T CA -0.227 61.811 62.100 -0.103 0.000 1.008 679 T CB 0.612 69.477 68.868 -0.005 0.000 1.005 679 T HN 0.457 nan 8.240 nan 0.000 0.444 680 I N 3.774 124.132 120.570 -0.353 0.000 2.306 680 I HA 0.375 4.545 4.170 -0.000 0.000 0.288 680 I C 0.220 176.258 176.117 -0.132 0.000 1.036 680 I CA -0.846 60.256 61.300 -0.330 0.000 1.221 680 I CB 0.571 38.059 38.000 -0.852 0.000 1.385 680 I HN 0.487 nan 8.210 nan 0.000 0.472 681 N N 5.909 124.602 118.700 -0.012 0.000 2.430 681 N HA 0.665 5.405 4.740 -0.000 0.000 0.292 681 N C -0.763 174.806 175.510 0.099 0.000 1.051 681 N CA -0.081 52.986 53.050 0.028 0.000 0.917 681 N CB 2.512 41.024 38.487 0.042 0.000 1.164 681 N HN 0.486 nan 8.380 nan 0.000 0.484 682 V N 0.322 120.293 119.914 0.095 0.000 3.147 682 V HA 0.566 4.686 4.120 -0.000 0.000 0.299 682 V C -0.879 175.277 176.094 0.103 0.000 1.302 682 V CA -1.192 61.194 62.300 0.143 0.000 1.015 682 V CB 1.977 33.904 31.823 0.174 0.000 1.086 682 V HN 0.476 nan 8.190 nan 0.000 0.437 683 N N 2.386 121.182 118.700 0.162 0.000 2.509 683 N HA 0.244 4.984 4.740 -0.000 0.000 0.287 683 N C -0.628 175.026 175.510 0.240 0.000 1.121 683 N CA -0.286 52.861 53.050 0.162 0.000 0.977 683 N CB 1.863 40.440 38.487 0.149 0.000 1.167 683 N HN 1.004 nan 8.380 nan 0.000 0.476 684 W N 2.319 123.642 121.300 0.038 0.000 2.210 684 W HA 0.071 4.731 4.660 -0.000 0.000 0.330 684 W C -0.716 175.874 176.519 0.118 0.000 1.334 684 W CA -0.013 57.382 57.345 0.082 0.000 1.227 684 W CB 0.384 29.843 29.460 -0.001 0.000 1.178 684 W HN 0.424 nan 8.180 nan 0.000 0.560 685 Q N 6.779 126.427 119.800 -0.253 0.000 2.241 685 Q HA 0.326 4.666 4.340 -0.000 0.000 0.254 685 Q C -2.014 173.827 176.000 -0.266 0.000 0.917 685 Q CA -1.648 54.062 55.803 -0.155 0.000 0.919 685 Q CB 1.836 30.468 28.738 -0.177 0.000 1.237 685 Q HN 0.208 nan 8.270 nan 0.000 0.434 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.209 63.100 0.181 0.000 0.800 686 P CB 0.000 31.831 31.700 0.218 0.000 0.726