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 1cgw_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 YKNLGDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMDA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGEWFL 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 0.000 177.563 177.584 -0.035 0.000 1.274 1 A CA 0.000 52.018 52.037 -0.031 0.000 0.836 1 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 2 P HA 0.241 nan 4.420 nan 0.000 0.274 2 P C 0.105 177.368 177.300 -0.061 0.000 1.237 2 P CA 0.173 63.244 63.100 -0.047 0.000 0.793 2 P CB 0.521 32.190 31.700 -0.052 0.000 0.977 3 D N 0.365 120.733 120.400 -0.054 0.000 2.203 3 D HA -0.198 4.442 4.640 -0.000 0.000 0.199 3 D C 1.089 177.332 176.300 -0.095 0.000 0.997 3 D CA 2.287 56.256 54.000 -0.052 0.000 0.863 3 D CB -1.596 39.205 40.800 0.001 0.000 0.928 3 D HN 0.466 nan 8.370 nan 0.000 0.458 4 T N -2.360 112.130 114.554 -0.107 0.000 3.085 4 T HA -0.002 4.348 4.350 -0.000 0.000 0.263 4 T C 1.156 175.761 174.700 -0.157 0.000 1.127 4 T CA 0.279 62.291 62.100 -0.147 0.000 1.103 4 T CB -0.381 68.407 68.868 -0.133 0.000 0.921 4 T HN 0.264 nan 8.240 nan 0.000 0.510 5 S N 0.685 116.304 115.700 -0.136 0.000 2.563 5 S HA 0.110 4.580 4.470 -0.000 0.000 0.284 5 S C 1.515 176.005 174.600 -0.182 0.000 1.331 5 S CA -0.275 57.843 58.200 -0.138 0.000 1.047 5 S CB 1.151 64.284 63.200 -0.110 0.000 0.859 5 S HN 0.204 nan 8.310 nan 0.000 0.514 6 V N 4.174 123.981 119.914 -0.178 0.000 2.568 6 V HA -0.112 4.008 4.120 -0.000 0.000 0.253 6 V C 2.441 178.383 176.094 -0.254 0.000 1.072 6 V CA 2.657 64.829 62.300 -0.214 0.000 1.084 6 V CB -1.087 30.633 31.823 -0.172 0.000 0.676 6 V HN 1.099 nan 8.190 nan 0.000 0.469 7 S N 0.016 115.588 115.700 -0.213 0.000 2.515 7 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 7 S C 1.165 175.672 174.600 -0.155 0.000 0.987 7 S CA 0.585 58.666 58.200 -0.199 0.000 0.936 7 S CB -0.747 62.363 63.200 -0.151 0.000 0.766 7 S HN 0.640 nan 8.310 nan 0.000 0.528 8 N N 2.616 121.212 118.700 -0.172 0.000 2.549 8 N HA 0.131 4.871 4.740 -0.000 0.000 0.267 8 N C 0.184 175.615 175.510 -0.132 0.000 1.182 8 N CA 0.036 53.002 53.050 -0.140 0.000 1.019 8 N CB 0.234 38.627 38.487 -0.158 0.000 1.380 8 N HN 0.485 nan 8.380 nan 0.000 0.505 9 K N 1.666 122.061 120.400 -0.010 0.000 2.505 9 K HA 0.001 4.321 4.320 -0.000 0.000 0.192 9 K C 0.471 177.253 176.600 0.303 0.000 1.025 9 K CA 0.454 56.834 56.287 0.155 0.000 1.086 9 K CB 0.461 33.071 32.500 0.182 0.000 0.840 9 K HN 0.400 nan 8.250 nan 0.000 0.514 10 Q N 0.093 120.014 119.800 0.202 0.000 2.281 10 Q HA 0.111 4.451 4.340 -0.000 0.000 0.215 10 Q C -0.445 175.751 176.000 0.326 0.000 0.867 10 Q CA 0.053 56.038 55.803 0.302 0.000 0.940 10 Q CB 0.676 29.546 28.738 0.220 0.000 1.111 10 Q HN 0.069 nan 8.270 nan 0.000 0.513 11 N N -0.631 118.113 118.700 0.073 0.000 2.430 11 N HA 0.206 4.946 4.740 -0.000 0.000 0.290 11 N C -1.335 173.964 175.510 -0.353 0.000 1.063 11 N CA -0.316 52.592 53.050 -0.236 0.000 0.883 11 N CB 0.628 38.930 38.487 -0.308 0.000 1.465 11 N HN -0.121 nan 8.380 nan 0.000 0.493 12 F N 1.064 120.562 119.950 -0.753 0.000 2.706 12 F HA 0.294 4.821 4.527 -0.000 0.000 0.313 12 F C 1.915 177.407 175.800 -0.514 0.000 1.096 12 F CA -0.104 57.487 58.000 -0.681 0.000 1.219 12 F CB 0.386 38.802 39.000 -0.974 0.000 1.051 12 F HN 0.423 nan 8.300 nan 0.000 0.568 13 S N -0.480 115.001 115.700 -0.365 0.000 2.400 13 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 13 S C 2.187 176.550 174.600 -0.396 0.000 1.025 13 S CA 1.969 59.962 58.200 -0.345 0.000 0.993 13 S CB -0.590 62.420 63.200 -0.316 0.000 0.808 13 S HN 0.539 nan 8.310 nan 0.000 0.478 14 T N -0.516 113.789 114.554 -0.414 0.000 3.129 14 T HA 0.123 4.472 4.350 -0.000 0.000 0.251 14 T C 0.127 174.654 174.700 -0.288 0.000 1.117 14 T CA -0.150 61.720 62.100 -0.383 0.000 1.034 14 T CB -0.050 68.602 68.868 -0.361 0.000 0.968 14 T HN 0.080 nan 8.240 nan 0.000 0.526 15 D N 0.781 121.020 120.400 -0.267 0.000 2.385 15 D HA 0.536 5.176 4.640 -0.000 0.000 0.254 15 D C -0.814 175.413 176.300 -0.122 0.000 1.053 15 D CA -0.489 53.392 54.000 -0.198 0.000 0.992 15 D CB 2.333 43.000 40.800 -0.221 0.000 1.145 15 D HN 0.026 nan 8.370 nan 0.000 0.523 16 V N 1.712 121.586 119.914 -0.066 0.000 2.482 16 V HA 0.305 4.425 4.120 -0.000 0.000 0.295 16 V C 0.145 176.283 176.094 0.072 0.000 1.026 16 V CA -0.658 61.632 62.300 -0.018 0.000 0.856 16 V CB 1.456 33.253 31.823 -0.044 0.000 1.001 16 V HN 0.352 nan 8.190 nan 0.000 0.424 17 I N 4.414 125.062 120.570 0.131 0.000 2.472 17 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 17 I C -0.813 175.479 176.117 0.293 0.000 1.016 17 I CA -0.464 60.983 61.300 0.245 0.000 1.348 17 I CB 0.916 39.095 38.000 0.297 0.000 1.417 17 I HN 0.599 nan 8.210 nan 0.000 0.521 18 Y N 5.761 126.158 120.300 0.163 0.000 2.388 18 Y HA 0.228 4.778 4.550 -0.000 0.000 0.328 18 Y C -0.049 175.918 175.900 0.112 0.000 0.963 18 Y CA -0.542 57.624 58.100 0.111 0.000 1.240 18 Y CB 0.939 39.425 38.460 0.043 0.000 1.118 18 Y HN 0.489 nan 8.280 nan 0.000 0.484 19 Q N 6.964 126.648 119.800 -0.193 0.000 2.307 19 Q HA 0.405 4.745 4.340 -0.000 0.000 0.259 19 Q C -1.233 174.586 176.000 -0.303 0.000 0.998 19 Q CA -0.016 55.588 55.803 -0.332 0.000 0.923 19 Q CB 0.437 28.879 28.738 -0.493 0.000 1.196 19 Q HN 0.764 nan 8.270 nan 0.000 0.416 20 I N 3.351 123.747 120.570 -0.290 0.000 2.474 20 I HA 0.276 4.445 4.170 -0.000 0.000 0.294 20 I C -0.798 175.173 176.117 -0.242 0.000 1.005 20 I CA -0.868 60.255 61.300 -0.295 0.000 1.113 20 I CB 1.409 39.188 38.000 -0.368 0.000 1.289 20 I HN 0.525 nan 8.210 nan 0.000 0.436 21 F N 4.370 124.053 119.950 -0.445 0.000 2.335 21 F HA 0.194 4.721 4.527 -0.000 0.000 0.365 21 F C 1.630 177.276 175.800 -0.256 0.000 1.122 21 F CA -0.165 57.679 58.000 -0.260 0.000 1.151 21 F CB 0.937 39.851 39.000 -0.143 0.000 1.282 21 F HN 0.540 nan 8.300 nan 0.000 0.513 22 T N 1.103 115.503 114.554 -0.257 0.000 2.649 22 T HA -0.344 4.006 4.350 -0.000 0.000 0.268 22 T C 1.667 176.348 174.700 -0.033 0.000 1.036 22 T CA 2.177 64.140 62.100 -0.229 0.000 1.157 22 T CB -0.245 68.237 68.868 -0.643 0.000 0.861 22 T HN 0.561 nan 8.240 nan 0.000 0.445 23 D N 0.450 120.896 120.400 0.077 0.000 2.218 23 D HA -0.082 4.558 4.640 -0.000 0.000 0.204 23 D C 1.928 178.338 176.300 0.182 0.000 0.976 23 D CA 0.724 54.866 54.000 0.238 0.000 0.853 23 D CB 0.119 41.138 40.800 0.366 0.000 0.939 23 D HN 0.187 nan 8.370 nan 0.000 0.481 24 R N -0.763 119.822 120.500 0.141 0.000 2.468 24 R HA 0.110 4.450 4.340 -0.000 0.000 0.280 24 R C 0.814 177.145 176.300 0.053 0.000 0.963 24 R CA -0.188 55.955 56.100 0.072 0.000 1.083 24 R CB -0.170 30.165 30.300 0.058 0.000 1.200 24 R HN 0.265 nan 8.270 nan 0.000 0.541 25 F N 0.666 120.566 119.950 -0.083 0.000 2.204 25 F HA 0.259 4.786 4.527 -0.000 0.000 0.276 25 F C 0.391 176.280 175.800 0.148 0.000 1.085 25 F CA 0.370 58.371 58.000 0.000 0.000 1.160 25 F CB 0.382 39.382 39.000 -0.001 0.000 1.091 25 F HN -0.188 nan 8.300 nan 0.000 0.522 26 S N -0.210 115.579 115.700 0.148 0.000 2.592 26 S HA 0.206 4.676 4.470 -0.000 0.000 0.275 26 S C -1.849 172.814 174.600 0.105 0.000 1.169 26 S CA -0.799 57.437 58.200 0.060 0.000 0.958 26 S CB 0.849 64.005 63.200 -0.074 0.000 1.095 26 S HN 0.244 nan 8.310 nan 0.000 0.471 27 D N 3.592 124.047 120.400 0.092 0.000 2.517 27 D HA 0.374 5.014 4.640 -0.000 0.000 0.220 27 D C 1.261 177.599 176.300 0.064 0.000 1.158 27 D CA 0.013 54.068 54.000 0.093 0.000 0.992 27 D CB 0.213 41.083 40.800 0.116 0.000 1.058 27 D HN 0.696 nan 8.370 nan 0.000 0.516 28 G N 2.803 111.640 108.800 0.061 0.000 2.744 28 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.211 28 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.211 28 G C 0.725 175.647 174.900 0.037 0.000 1.143 28 G CA -0.221 44.906 45.100 0.046 0.000 0.788 28 G HN 0.471 nan 8.290 nan 0.000 0.534 29 N N -0.410 118.309 118.700 0.032 0.000 2.707 29 N HA 0.280 5.020 4.740 -0.000 0.000 0.249 29 N C -1.793 173.705 175.510 -0.019 0.000 1.299 29 N CA -1.759 51.297 53.050 0.011 0.000 0.769 29 N CB 1.878 40.376 38.487 0.017 0.000 1.236 29 N HN -0.199 nan 8.380 nan 0.000 0.524 30 P HA -0.156 nan 4.420 nan 0.000 0.217 30 P C 1.089 178.319 177.300 -0.116 0.000 1.148 30 P CA 1.148 64.210 63.100 -0.063 0.000 0.828 30 P CB 0.187 31.867 31.700 -0.032 0.000 0.783 31 A N 0.945 123.717 122.820 -0.080 0.000 2.024 31 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 31 A C 1.814 179.325 177.584 -0.121 0.000 1.164 31 A CA 2.100 54.083 52.037 -0.090 0.000 0.643 31 A CB -1.555 17.412 19.000 -0.054 0.000 0.806 31 A HN 0.396 nan 8.150 nan 0.000 0.451 32 N N -0.223 118.404 118.700 -0.122 0.000 2.336 32 N HA 0.003 4.743 4.740 -0.000 0.000 0.189 32 N C -0.381 174.996 175.510 -0.221 0.000 1.113 32 N CA -0.130 52.832 53.050 -0.146 0.000 0.858 32 N CB -0.582 37.834 38.487 -0.117 0.000 0.970 32 N HN 0.244 nan 8.380 nan 0.000 0.471 33 N N 2.253 120.784 118.700 -0.280 0.000 2.407 33 N HA 0.136 4.876 4.740 -0.000 0.000 0.250 33 N C -2.199 173.016 175.510 -0.492 0.000 1.236 33 N CA -0.782 51.994 53.050 -0.457 0.000 0.879 33 N CB 0.064 38.076 38.487 -0.792 0.000 1.088 33 N HN 0.213 nan 8.380 nan 0.000 0.450 34 P HA 0.140 nan 4.420 nan 0.000 0.274 34 P C -0.002 177.121 177.300 -0.296 0.000 1.260 34 P CA -0.196 62.701 63.100 -0.338 0.000 0.793 34 P CB 0.416 31.931 31.700 -0.309 0.000 1.048 35 T N -4.088 110.397 114.554 -0.116 0.000 2.907 35 T HA 0.681 5.031 4.350 -0.000 0.000 0.290 35 T C 0.415 175.152 174.700 0.062 0.000 1.066 35 T CA 0.036 62.114 62.100 -0.038 0.000 1.012 35 T CB 1.312 70.141 68.868 -0.066 0.000 1.184 35 T HN 0.761 nan 8.240 nan 0.000 0.522 36 G N 0.890 109.742 108.800 0.088 0.000 2.528 36 G HA2 0.092 4.052 3.960 -0.000 0.000 0.262 36 G HA3 0.092 4.052 3.960 -0.000 0.000 0.262 36 G C 0.833 175.806 174.900 0.122 0.000 1.200 36 G CA 0.187 45.339 45.100 0.087 0.000 0.951 36 G HN 1.946 nan 8.290 nan 0.000 0.566 37 A N 0.064 122.940 122.820 0.093 0.000 2.268 37 A HA 0.645 4.965 4.320 -0.000 0.000 0.221 37 A C 1.888 179.545 177.584 0.122 0.000 1.287 37 A CA 1.764 53.856 52.037 0.092 0.000 0.902 37 A CB -0.847 18.193 19.000 0.067 0.000 0.877 37 A HN 2.267 nan 8.150 nan 0.000 0.487 38 A N -1.561 121.363 122.820 0.173 0.000 2.427 38 A HA 0.539 4.859 4.320 -0.000 0.000 0.225 38 A C 0.058 177.846 177.584 0.339 0.000 1.257 38 A CA -0.134 52.047 52.037 0.239 0.000 0.985 38 A CB 0.197 19.340 19.000 0.239 0.000 1.136 38 A HN 0.445 nan 8.150 nan 0.000 0.538 39 F N 0.690 120.701 119.950 0.103 0.000 2.458 39 F HA 0.650 5.177 4.527 -0.000 0.000 0.330 39 F C -1.162 174.677 175.800 0.064 0.000 1.082 39 F CA -1.403 56.654 58.000 0.095 0.000 0.995 39 F CB 1.689 40.715 39.000 0.045 0.000 1.170 39 F HN 0.013 nan 8.300 nan 0.000 0.478 40 D N 2.857 122.699 120.400 -0.929 0.000 2.337 40 D HA 0.228 4.868 4.640 -0.000 0.000 0.238 40 D C 0.728 176.422 176.300 -1.012 0.000 1.331 40 D CA -0.026 53.529 54.000 -0.742 0.000 0.967 40 D CB 0.866 41.479 40.800 -0.312 0.000 1.382 40 D HN 0.694 nan 8.370 nan 0.000 0.549 41 G N 1.526 109.612 108.800 -1.189 0.000 2.470 41 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 41 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 41 G C 1.339 176.101 174.900 -0.230 0.000 1.121 41 G CA 1.491 46.252 45.100 -0.565 0.000 0.766 41 G HN 0.533 nan 8.290 nan 0.000 0.553 42 T N -3.690 110.728 114.554 -0.226 0.000 3.043 42 T HA -0.021 4.329 4.350 -0.000 0.000 0.263 42 T C 1.424 176.047 174.700 -0.129 0.000 1.094 42 T CA 0.820 62.843 62.100 -0.128 0.000 1.127 42 T CB -0.522 68.286 68.868 -0.100 0.000 0.905 42 T HN 0.659 nan 8.240 nan 0.000 0.490 43 c N 1.651 120.139 118.600 -0.187 0.000 4.350 43 c HA -0.193 4.377 4.570 -0.000 0.000 0.302 43 c C 1.520 175.542 174.090 -0.114 0.000 1.390 43 c CA 0.955 57.192 56.329 -0.154 0.000 2.016 43 c CB -2.699 39.747 42.510 -0.108 0.000 1.271 43 c HN 0.783 nan 8.230 nan 0.000 0.760 44 T N -0.210 114.278 114.554 -0.109 0.000 3.035 44 T HA 0.002 4.352 4.350 -0.000 0.000 0.259 44 T C 0.705 175.361 174.700 -0.072 0.000 1.078 44 T CA 1.251 63.305 62.100 -0.076 0.000 1.132 44 T CB -0.177 68.653 68.868 -0.063 0.000 0.900 44 T HN 0.717 nan 8.240 nan 0.000 0.480 45 N N 1.986 120.632 118.700 -0.089 0.000 2.500 45 N HA 0.191 4.931 4.740 -0.000 0.000 0.236 45 N C 0.517 175.958 175.510 -0.115 0.000 1.022 45 N CA -0.273 52.732 53.050 -0.075 0.000 0.935 45 N CB 0.329 38.783 38.487 -0.056 0.000 1.147 45 N HN 0.208 nan 8.380 nan 0.000 0.512 46 L N 2.498 123.656 121.223 -0.107 0.000 2.700 46 L HA 0.027 4.367 4.340 -0.000 0.000 0.240 46 L C 1.496 178.216 176.870 -0.250 0.000 1.162 46 L CA 0.543 55.280 54.840 -0.171 0.000 0.874 46 L CB -0.058 41.939 42.059 -0.104 0.000 1.001 46 L HN 0.405 nan 8.230 nan 0.000 0.447 47 R N -1.486 118.924 120.500 -0.150 0.000 2.397 47 R HA 0.186 4.526 4.340 -0.000 0.000 0.241 47 R C -0.002 176.264 176.300 -0.057 0.000 0.914 47 R CA -0.235 55.831 56.100 -0.056 0.000 1.071 47 R CB 0.580 30.935 30.300 0.092 0.000 1.116 47 R HN 0.068 nan 8.270 nan 0.000 0.524 48 L N -1.103 120.041 121.223 -0.132 0.000 2.805 48 L HA 0.345 4.685 4.340 -0.000 0.000 0.242 48 L C -0.034 176.765 176.870 -0.119 0.000 1.180 48 L CA -1.077 53.747 54.840 -0.026 0.000 1.001 48 L CB -0.352 41.728 42.059 0.035 0.000 1.864 48 L HN -0.126 nan 8.230 nan 0.000 0.551 49 Y N -1.235 119.104 120.300 0.066 0.000 2.310 49 Y HA 0.201 4.751 4.550 -0.000 0.000 0.326 49 Y C 0.948 176.903 175.900 0.092 0.000 1.151 49 Y CA -0.095 58.094 58.100 0.149 0.000 1.195 49 Y CB 1.236 39.865 38.460 0.282 0.000 1.210 49 Y HN 0.430 nan 8.280 nan 0.000 0.483 50 c N 0.278 119.029 118.600 0.251 0.000 3.019 50 c HA 0.354 4.924 4.570 -0.000 0.000 0.295 50 c C 1.574 175.918 174.090 0.424 0.000 1.256 50 c CA 0.243 56.647 56.329 0.125 0.000 1.706 50 c CB -0.325 42.180 42.510 -0.008 0.000 2.153 50 c HN 1.220 nan 8.230 nan 0.000 0.618 51 G N 0.648 109.763 108.800 0.525 0.000 2.144 51 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.218 51 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.218 51 G C 0.296 175.341 174.900 0.241 0.000 0.988 51 G CA -0.095 45.249 45.100 0.407 0.000 0.659 51 G HN 0.811 nan 8.290 nan 0.000 0.522 52 G N 0.263 109.203 108.800 0.233 0.000 2.441 52 G HA2 0.575 4.534 3.960 -0.000 0.000 0.243 52 G HA3 0.575 4.534 3.960 -0.000 0.000 0.243 52 G C 0.028 175.004 174.900 0.126 0.000 1.281 52 G CA 0.851 46.052 45.100 0.168 0.000 0.854 52 G HN 0.833 nan 8.290 nan 0.000 0.560 53 D N -0.531 119.918 120.400 0.082 0.000 2.867 53 D HA 0.277 4.917 4.640 -0.000 0.000 0.308 53 D C 0.549 176.890 176.300 0.069 0.000 1.202 53 D CA -0.843 53.138 54.000 -0.032 0.000 1.035 53 D CB 0.339 41.123 40.800 -0.026 0.000 1.427 53 D HN 0.317 nan 8.370 nan 0.000 0.570 54 W N -0.450 120.924 121.300 0.122 0.000 2.388 54 W HA -0.016 4.644 4.660 -0.000 0.000 0.294 54 W C 2.146 178.714 176.519 0.081 0.000 1.212 54 W CA 0.809 58.212 57.345 0.097 0.000 1.271 54 W CB -1.005 28.535 29.460 0.133 0.000 1.126 54 W HN 0.489 nan 8.180 nan 0.000 0.535 55 Q N 0.345 120.306 119.800 0.268 0.000 2.061 55 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 55 Q C 2.453 178.536 176.000 0.138 0.000 0.984 55 Q CA 2.664 58.569 55.803 0.169 0.000 0.846 55 Q CB -1.156 27.650 28.738 0.113 0.000 0.902 55 Q HN 0.185 nan 8.270 nan 0.000 0.421 56 G N 0.275 109.159 108.800 0.140 0.000 2.440 56 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 56 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 56 G C 1.444 176.455 174.900 0.185 0.000 1.154 56 G CA 1.096 46.269 45.100 0.122 0.000 0.767 56 G HN 0.434 nan 8.290 nan 0.000 0.552 57 I N 0.390 121.126 120.570 0.278 0.000 2.142 57 I HA -0.157 4.012 4.170 -0.000 0.000 0.240 57 I C 2.666 178.893 176.117 0.183 0.000 1.078 57 I CA 0.845 62.328 61.300 0.305 0.000 1.343 57 I CB -0.306 37.843 38.000 0.249 0.000 1.046 57 I HN 0.120 nan 8.210 nan 0.000 0.405 58 I N 1.093 121.743 120.570 0.134 0.000 2.151 58 I HA -0.353 3.817 4.170 -0.000 0.000 0.243 58 I C 2.302 178.450 176.117 0.052 0.000 1.080 58 I CA 1.524 62.868 61.300 0.073 0.000 1.339 58 I CB -0.593 37.447 38.000 0.066 0.000 1.039 58 I HN 0.311 nan 8.210 nan 0.000 0.409 59 N N 0.841 119.568 118.700 0.045 0.000 2.061 59 N HA -0.188 4.552 4.740 -0.000 0.000 0.193 59 N C 1.743 177.227 175.510 -0.043 0.000 1.030 59 N CA 1.259 54.305 53.050 -0.007 0.000 0.856 59 N CB -0.352 38.117 38.487 -0.031 0.000 1.023 59 N HN 0.246 nan 8.380 nan 0.000 0.424 60 K N 0.846 121.226 120.400 -0.032 0.000 2.211 60 K HA 0.065 4.385 4.320 -0.000 0.000 0.203 60 K C 2.112 178.745 176.600 0.055 0.000 1.050 60 K CA 0.317 56.569 56.287 -0.058 0.000 0.945 60 K CB -0.359 32.125 32.500 -0.026 0.000 0.732 60 K HN 0.329 nan 8.250 nan 0.000 0.451 61 I N 0.879 121.489 120.570 0.067 0.000 2.286 61 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 61 I C 1.494 177.624 176.117 0.021 0.000 1.104 61 I CA 1.146 62.472 61.300 0.045 0.000 1.397 61 I CB -0.218 37.801 38.000 0.031 0.000 1.072 61 I HN 0.240 nan 8.210 nan 0.000 0.417 62 N N 0.644 119.351 118.700 0.011 0.000 2.331 62 N HA -0.174 4.566 4.740 -0.000 0.000 0.180 62 N C 0.868 176.377 175.510 -0.002 0.000 1.019 62 N CA 1.088 54.139 53.050 0.002 0.000 0.881 62 N CB -0.024 38.464 38.487 0.000 0.000 0.972 62 N HN 0.427 nan 8.380 nan 0.000 0.435 63 D N -0.554 119.839 120.400 -0.011 0.000 2.319 63 D HA 0.107 4.747 4.640 -0.000 0.000 0.230 63 D C 1.192 177.503 176.300 0.018 0.000 1.094 63 D CA 0.212 54.205 54.000 -0.013 0.000 0.856 63 D CB -0.201 40.569 40.800 -0.050 0.000 0.915 63 D HN 0.214 nan 8.370 nan 0.000 0.517 64 G N -0.211 108.609 108.800 0.034 0.000 2.205 64 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.261 64 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.261 64 G C 0.719 175.681 174.900 0.103 0.000 0.980 64 G CA 0.393 45.525 45.100 0.053 0.000 0.632 64 G HN 0.362 nan 8.290 nan 0.000 0.533 65 Y N 1.061 121.354 120.300 -0.010 0.000 2.053 65 Y HA -0.058 4.491 4.550 -0.000 0.000 0.277 65 Y C 2.731 178.696 175.900 0.108 0.000 1.159 65 Y CA 2.611 60.743 58.100 0.054 0.000 1.125 65 Y CB -0.425 37.999 38.460 -0.059 0.000 0.969 65 Y HN 0.322 nan 8.280 nan 0.000 0.492 66 L N -1.054 120.130 121.223 -0.065 0.000 2.095 66 L HA -0.140 4.199 4.340 -0.000 0.000 0.204 66 L C 2.581 179.337 176.870 -0.191 0.000 1.080 66 L CA 1.622 56.324 54.840 -0.230 0.000 0.759 66 L CB -1.282 40.682 42.059 -0.158 0.000 0.914 66 L HN 0.320 nan 8.230 nan 0.000 0.439 67 T N -2.447 112.051 114.554 -0.092 0.000 2.788 67 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 67 T C 1.970 176.617 174.700 -0.090 0.000 1.044 67 T CA 1.112 63.163 62.100 -0.081 0.000 1.139 67 T CB -0.946 67.897 68.868 -0.040 0.000 0.867 67 T HN 0.380 nan 8.240 nan 0.000 0.454 68 G N 0.684 109.458 108.800 -0.044 0.000 2.432 68 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.219 68 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.219 68 G C 1.552 176.374 174.900 -0.130 0.000 1.135 68 G CA 0.730 45.845 45.100 0.026 0.000 0.767 68 G HN 0.514 nan 8.290 nan 0.000 0.550 69 M N -0.055 119.307 119.600 -0.397 0.000 2.492 69 M HA 0.178 4.658 4.480 -0.000 0.000 0.262 69 M C 1.906 177.947 176.300 -0.430 0.000 1.090 69 M CA 1.224 56.043 55.300 -0.803 0.000 1.110 69 M CB 0.236 32.303 32.600 -0.887 0.000 1.407 69 M HN 0.401 nan 8.290 nan 0.000 0.470 70 G N -0.124 108.515 108.800 -0.269 0.000 2.195 70 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.224 70 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.224 70 G C 0.097 174.900 174.900 -0.162 0.000 0.990 70 G CA 0.057 45.042 45.100 -0.192 0.000 0.639 70 G HN 0.313 nan 8.290 nan 0.000 0.514 71 V N 1.673 121.480 119.914 -0.178 0.000 2.901 71 V HA 0.418 4.538 4.120 -0.000 0.000 0.307 71 V C 1.701 177.748 176.094 -0.078 0.000 1.084 71 V CA 1.838 64.073 62.300 -0.108 0.000 1.184 71 V CB 1.443 33.185 31.823 -0.134 0.000 0.941 71 V HN 0.976 nan 8.190 nan 0.000 0.493 72 T N 0.230 114.760 114.554 -0.041 0.000 3.144 72 T HA 0.665 5.015 4.350 -0.000 0.000 0.290 72 T C -0.121 174.573 174.700 -0.010 0.000 0.966 72 T CA 0.392 62.460 62.100 -0.052 0.000 0.907 72 T CB 0.395 69.201 68.868 -0.105 0.000 1.152 72 T HN 1.153 nan 8.240 nan 0.000 0.532 73 A N 1.443 124.307 122.820 0.073 0.000 2.589 73 A HA 0.786 5.106 4.320 -0.000 0.000 0.296 73 A C -1.452 176.269 177.584 0.227 0.000 1.062 73 A CA -1.173 50.968 52.037 0.174 0.000 0.686 73 A CB 1.122 20.303 19.000 0.301 0.000 1.282 73 A HN 0.802 nan 8.150 nan 0.000 0.404 74 I N -2.169 118.549 120.570 0.247 0.000 2.545 74 I HA 0.806 4.976 4.170 -0.000 0.000 0.292 74 I C -1.032 175.293 176.117 0.346 0.000 1.040 74 I CA -0.638 60.819 61.300 0.262 0.000 1.068 74 I CB 1.913 40.003 38.000 0.150 0.000 1.251 74 I HN 0.733 nan 8.210 nan 0.000 0.424 75 W N 8.982 130.370 121.300 0.146 0.000 2.329 75 W HA 0.795 5.455 4.660 -0.000 0.000 0.312 75 W C -1.317 175.240 176.519 0.063 0.000 1.054 75 W CA -1.907 55.521 57.345 0.140 0.000 1.245 75 W CB 0.876 30.468 29.460 0.219 0.000 1.255 75 W HN 0.682 nan 8.180 nan 0.000 0.436 76 I N 2.672 123.458 120.570 0.361 0.000 2.957 76 I HA 0.665 4.835 4.170 -0.000 0.000 0.310 76 I C 0.257 176.396 176.117 0.037 0.000 1.063 76 I CA -1.079 60.265 61.300 0.074 0.000 1.033 76 I CB 1.762 39.804 38.000 0.070 0.000 1.230 76 I HN 0.260 nan 8.210 nan 0.000 0.447 77 S N 1.908 117.481 115.700 -0.211 0.000 2.559 77 S HA -0.046 4.424 4.470 -0.000 0.000 0.282 77 S C 0.018 174.550 174.600 -0.112 0.000 1.336 77 S CA -0.365 57.641 58.200 -0.324 0.000 1.037 77 S CB 0.235 63.090 63.200 -0.576 0.000 0.853 77 S HN 0.757 nan 8.310 nan 0.000 0.523 78 Q N 2.777 122.480 119.800 -0.161 0.000 2.262 78 Q HA 0.001 4.341 4.340 -0.000 0.000 0.298 78 Q C -1.524 174.494 176.000 0.030 0.000 1.083 78 Q CA -1.090 54.664 55.803 -0.081 0.000 0.962 78 Q CB 0.549 29.204 28.738 -0.138 0.000 1.104 78 Q HN 0.370 nan 8.270 nan 0.000 0.376 79 P HA -0.054 nan 4.420 nan 0.000 0.236 79 P C 0.464 177.819 177.300 0.092 0.000 1.177 79 P CA 0.351 63.561 63.100 0.182 0.000 0.773 79 P CB -0.187 31.354 31.700 -0.264 0.000 0.878 80 V N -1.278 118.567 119.914 -0.114 0.000 3.237 80 V HA 0.133 4.253 4.120 -0.000 0.000 0.305 80 V C 0.520 176.573 176.094 -0.068 0.000 1.096 80 V CA -0.841 61.452 62.300 -0.012 0.000 1.130 80 V CB -0.115 31.649 31.823 -0.098 0.000 1.048 80 V HN -0.006 nan 8.190 nan 0.000 0.484 81 E N 2.841 123.022 120.200 -0.032 0.000 2.415 81 E HA 0.074 4.424 4.350 -0.000 0.000 0.260 81 E C 0.017 176.483 176.600 -0.223 0.000 1.016 81 E CA 0.101 56.431 56.400 -0.117 0.000 0.924 81 E CB 0.099 29.782 29.700 -0.027 0.000 0.961 81 E HN 0.869 nan 8.360 nan 0.000 0.459 82 N N 3.297 121.797 118.700 -0.333 0.000 2.491 82 N HA 0.300 5.040 4.740 -0.000 0.000 0.279 82 N C 0.329 175.591 175.510 -0.413 0.000 1.236 82 N CA -0.679 52.195 53.050 -0.293 0.000 0.982 82 N CB 0.855 39.193 38.487 -0.247 0.000 1.194 82 N HN 0.472 nan 8.380 nan 0.000 0.582 83 I N -1.378 119.082 120.570 -0.182 0.000 2.882 83 I HA 0.054 4.223 4.170 -0.000 0.000 0.286 83 I C -0.070 175.893 176.117 -0.255 0.000 1.139 83 I CA -0.161 61.048 61.300 -0.151 0.000 1.379 83 I CB 0.296 38.301 38.000 0.009 0.000 1.410 83 I HN 0.605 nan 8.210 nan 0.000 0.594 84 Y N 1.413 121.719 120.300 0.009 0.000 2.458 84 Y HA 0.204 4.754 4.550 -0.000 0.000 0.254 84 Y C 1.415 177.322 175.900 0.012 0.000 1.120 84 Y CA -0.176 57.924 58.100 -0.000 0.000 1.282 84 Y CB 0.087 38.522 38.460 -0.042 0.000 1.109 84 Y HN 0.519 nan 8.280 nan 0.000 0.526 85 S N 1.304 117.070 115.700 0.110 0.000 2.549 85 S HA 0.150 4.619 4.470 -0.000 0.000 0.283 85 S C -0.034 174.596 174.600 0.048 0.000 1.320 85 S CA -0.310 57.908 58.200 0.030 0.000 1.058 85 S CB 0.273 63.417 63.200 -0.094 0.000 0.882 85 S HN 0.112 nan 8.310 nan 0.000 0.498 86 I N 3.712 124.309 120.570 0.045 0.000 2.416 86 I HA 0.232 4.402 4.170 -0.000 0.000 0.288 86 I C -0.127 175.988 176.117 -0.004 0.000 1.051 86 I CA 0.164 61.506 61.300 0.070 0.000 1.375 86 I CB 0.424 38.468 38.000 0.074 0.000 1.407 86 I HN 0.484 nan 8.210 nan 0.000 0.516 87 I N 6.224 126.792 120.570 -0.003 0.000 2.354 87 I HA 0.214 4.384 4.170 -0.000 0.000 0.292 87 I C -0.061 175.983 176.117 -0.122 0.000 0.989 87 I CA -0.602 60.605 61.300 -0.155 0.000 1.188 87 I CB 1.311 39.110 38.000 -0.335 0.000 1.342 87 I HN 0.536 nan 8.210 nan 0.000 0.457 88 N N 5.209 123.846 118.700 -0.105 0.000 2.415 88 N HA 0.149 4.889 4.740 -0.000 0.000 0.246 88 N C -1.010 174.477 175.510 -0.038 0.000 1.078 88 N CA -0.272 52.765 53.050 -0.021 0.000 0.942 88 N CB 0.386 38.891 38.487 0.031 0.000 1.140 88 N HN 0.343 nan 8.380 nan 0.000 0.501 89 Y N 3.142 123.524 120.300 0.137 0.000 2.812 89 Y HA 0.274 4.824 4.550 -0.000 0.000 0.354 89 Y C 0.253 176.196 175.900 0.072 0.000 1.276 89 Y CA -0.724 57.443 58.100 0.112 0.000 1.639 89 Y CB -0.439 38.102 38.460 0.135 0.000 1.741 89 Y HN 0.577 nan 8.280 nan 0.000 0.479 90 S N 1.018 116.843 115.700 0.208 0.000 3.829 90 S HA -0.082 4.388 4.470 -0.000 0.000 0.461 90 S C 1.212 175.874 174.600 0.104 0.000 0.849 90 S CA 0.845 59.122 58.200 0.127 0.000 1.323 90 S CB -1.301 61.965 63.200 0.111 0.000 0.872 90 S HN 1.316 nan 8.310 nan 0.000 0.613 91 G N -1.145 107.708 108.800 0.088 0.000 2.320 91 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.242 91 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.242 91 G C 0.312 175.262 174.900 0.083 0.000 1.033 91 G CA 0.316 45.459 45.100 0.072 0.000 0.620 91 G HN 2.125 nan 8.290 nan 0.000 0.517 92 V N -1.064 118.921 119.914 0.118 0.000 2.439 92 V HA 0.775 4.894 4.120 -0.000 0.000 0.282 92 V C -0.132 176.049 176.094 0.144 0.000 1.039 92 V CA -1.640 60.735 62.300 0.126 0.000 0.913 92 V CB 1.642 33.547 31.823 0.136 0.000 0.983 92 V HN 0.196 nan 8.190 nan 0.000 0.460 93 N N 4.354 123.124 118.700 0.116 0.000 2.444 93 N HA 0.371 5.111 4.740 -0.000 0.000 0.271 93 N C -0.690 174.917 175.510 0.161 0.000 1.069 93 N CA 0.012 53.132 53.050 0.116 0.000 0.965 93 N CB 0.653 39.193 38.487 0.089 0.000 1.092 93 N HN 0.805 nan 8.380 nan 0.000 0.476 94 N N 0.521 119.344 118.700 0.205 0.000 2.346 94 N HA 0.297 5.037 4.740 -0.000 0.000 0.289 94 N C -0.285 175.400 175.510 0.292 0.000 1.027 94 N CA -0.345 52.881 53.050 0.294 0.000 0.864 94 N CB 2.142 40.920 38.487 0.484 0.000 1.370 94 N HN 0.494 nan 8.380 nan 0.000 0.481 95 T N -2.115 112.576 114.554 0.228 0.000 2.937 95 T HA 0.573 4.923 4.350 -0.000 0.000 0.283 95 T C 0.651 175.289 174.700 -0.103 0.000 1.012 95 T CA -0.792 61.411 62.100 0.171 0.000 0.997 95 T CB 1.582 70.557 68.868 0.178 0.000 1.136 95 T HN 0.348 nan 8.240 nan 0.000 0.551 96 A N 0.815 123.508 122.820 -0.211 0.000 2.840 96 A HA 0.300 4.620 4.320 -0.000 0.000 0.269 96 A C 1.112 178.082 177.584 -1.024 0.000 1.439 96 A CA -0.496 51.074 52.037 -0.779 0.000 1.083 96 A CB -1.625 17.223 19.000 -0.254 0.000 1.019 96 A HN 0.947 nan 8.150 nan 0.000 0.607 97 Y N -0.309 119.326 120.300 -1.107 0.000 2.403 97 Y HA -0.258 4.292 4.550 -0.000 0.000 0.291 97 Y C 1.761 177.367 175.900 -0.490 0.000 1.143 97 Y CA 1.602 59.053 58.100 -1.082 0.000 1.257 97 Y CB -1.105 36.786 38.460 -0.950 0.000 0.984 97 Y HN 0.655 nan 8.280 nan 0.000 0.550 98 H N -1.245 116.957 119.070 -1.446 0.000 2.529 98 H HA 0.303 4.859 4.556 -0.000 0.000 0.277 98 H C 2.000 176.766 175.328 -0.937 0.000 0.999 98 H CA 0.033 55.434 56.048 -1.080 0.000 1.256 98 H CB -0.720 28.532 29.762 -0.850 0.000 1.402 98 H HN 0.389 nan 8.280 nan 0.000 0.566 99 G N -0.106 108.323 108.800 -0.619 0.000 2.155 99 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.257 99 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.257 99 G C 0.252 174.958 174.900 -0.323 0.000 0.983 99 G CA 0.586 45.449 45.100 -0.394 0.000 0.676 99 G HN 0.561 nan 8.290 nan 0.000 0.528 100 Y N -1.616 118.722 120.300 0.064 0.000 2.490 100 Y HA 0.349 4.899 4.550 -0.000 0.000 0.281 100 Y C 0.994 177.060 175.900 0.275 0.000 1.174 100 Y CA -0.482 57.651 58.100 0.056 0.000 1.295 100 Y CB 0.290 38.706 38.460 -0.072 0.000 1.062 100 Y HN 0.398 nan 8.280 nan 0.000 0.522 101 W N 1.414 122.847 121.300 0.221 0.000 2.101 101 W HA 0.686 5.346 4.660 -0.000 0.000 0.301 101 W C 0.055 176.560 176.519 -0.022 0.000 0.846 101 W CA -2.249 55.177 57.345 0.135 0.000 1.823 101 W CB -0.495 29.029 29.460 0.106 0.000 2.007 101 W HN -0.162 nan 8.180 nan 0.000 0.373 102 A N 2.338 125.231 122.820 0.120 0.000 2.531 102 A HA 0.227 4.547 4.320 -0.000 0.000 0.236 102 A C 1.513 179.069 177.584 -0.046 0.000 1.062 102 A CA 0.494 52.420 52.037 -0.185 0.000 0.760 102 A CB 0.441 19.020 19.000 -0.702 0.000 0.995 102 A HN 0.653 nan 8.150 nan 0.000 0.501 103 R N 0.480 120.939 120.500 -0.069 0.000 2.412 103 R HA 0.188 4.528 4.340 -0.000 0.000 0.212 103 R C -0.912 175.539 176.300 0.250 0.000 0.878 103 R CA 0.547 56.730 56.100 0.138 0.000 1.022 103 R CB 0.697 31.088 30.300 0.151 0.000 1.265 103 R HN 0.594 nan 8.270 nan 0.000 0.620 104 D N -0.232 120.232 120.400 0.108 0.000 2.738 104 D HA 0.137 4.777 4.640 -0.000 0.000 0.218 104 D C -0.732 175.715 176.300 0.245 0.000 1.345 104 D CA -0.622 53.567 54.000 0.315 0.000 0.943 104 D CB 1.001 41.968 40.800 0.279 0.000 1.514 104 D HN -0.003 nan 8.370 nan 0.000 0.585 105 F N 2.034 122.247 119.950 0.439 0.000 2.802 105 F HA 0.194 4.721 4.527 -0.000 0.000 0.300 105 F C 1.865 177.938 175.800 0.455 0.000 1.168 105 F CA 0.464 58.680 58.000 0.361 0.000 1.433 105 F CB 0.272 39.414 39.000 0.237 0.000 1.115 105 F HN 0.157 nan 8.300 nan 0.000 0.582 106 K N -0.317 120.371 120.400 0.479 0.000 2.399 106 K HA 0.166 4.486 4.320 -0.000 0.000 0.204 106 K C 0.216 176.939 176.600 0.206 0.000 1.023 106 K CA 0.080 56.548 56.287 0.302 0.000 1.127 106 K CB 0.546 33.186 32.500 0.233 0.000 0.856 106 K HN -0.042 nan 8.250 nan 0.000 0.514 107 K N 0.830 121.404 120.400 0.290 0.000 2.443 107 K HA 0.257 4.577 4.320 -0.000 0.000 0.251 107 K C -0.125 176.663 176.600 0.314 0.000 0.972 107 K CA -0.548 55.870 56.287 0.218 0.000 0.833 107 K CB 2.124 34.719 32.500 0.158 0.000 1.317 107 K HN 0.026 nan 8.250 nan 0.000 0.441 108 T N -1.468 113.251 114.554 0.276 0.000 2.881 108 T HA 0.220 4.570 4.350 -0.000 0.000 0.278 108 T C 0.219 174.989 174.700 0.117 0.000 0.982 108 T CA -0.716 61.583 62.100 0.331 0.000 0.989 108 T CB 0.877 70.022 68.868 0.461 0.000 1.058 108 T HN 0.416 nan 8.240 nan 0.000 0.529 109 N N 1.939 120.643 118.700 0.006 0.000 2.420 109 N HA 0.275 5.015 4.740 -0.000 0.000 0.249 109 N C -1.676 173.664 175.510 -0.282 0.000 1.033 109 N CA -2.529 50.358 53.050 -0.271 0.000 0.944 109 N CB 1.286 39.389 38.487 -0.640 0.000 1.113 109 N HN 0.332 nan 8.380 nan 0.000 0.502 110 P HA -0.094 nan 4.420 nan 0.000 0.221 110 P C 0.767 177.933 177.300 -0.223 0.000 1.145 110 P CA 0.825 63.850 63.100 -0.125 0.000 0.795 110 P CB 0.193 31.874 31.700 -0.032 0.000 0.775 111 A N -1.259 121.348 122.820 -0.355 0.000 1.969 111 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 111 A C 1.905 179.353 177.584 -0.227 0.000 1.169 111 A CA 1.114 52.932 52.037 -0.365 0.000 0.635 111 A CB -1.396 17.261 19.000 -0.572 0.000 0.810 111 A HN 0.080 nan 8.150 nan 0.000 0.445 112 Y N -0.779 119.245 120.300 -0.460 0.000 2.314 112 Y HA 0.382 4.932 4.550 -0.000 0.000 0.294 112 Y C 1.599 176.840 175.900 -1.099 0.000 1.119 112 Y CA 0.112 57.658 58.100 -0.924 0.000 1.179 112 Y CB -0.684 36.905 38.460 -1.452 0.000 1.025 112 Y HN 0.430 nan 8.280 nan 0.000 0.541 113 G N -1.042 107.411 108.800 -0.579 0.000 2.343 113 G HA2 0.305 4.265 3.960 -0.000 0.000 0.289 113 G HA3 0.305 4.265 3.960 -0.000 0.000 0.289 113 G C -0.752 174.236 174.900 0.148 0.000 1.295 113 G CA -0.478 44.539 45.100 -0.137 0.000 0.869 113 G HN 0.193 nan 8.290 nan 0.000 0.522 114 T N -1.588 113.151 114.554 0.308 0.000 2.897 114 T HA 0.607 4.957 4.350 -0.000 0.000 0.278 114 T C 1.715 176.690 174.700 0.458 0.000 0.981 114 T CA -0.306 61.974 62.100 0.300 0.000 0.973 114 T CB 1.068 70.053 68.868 0.194 0.000 1.092 114 T HN 0.545 nan 8.240 nan 0.000 0.543 115 I N 0.541 121.296 120.570 0.308 0.000 2.361 115 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 115 I C 2.971 179.259 176.117 0.284 0.000 1.133 115 I CA 1.646 63.114 61.300 0.280 0.000 1.413 115 I CB -1.492 36.581 38.000 0.122 0.000 1.073 115 I HN 0.848 nan 8.210 nan 0.000 0.424 116 A N 0.566 123.517 122.820 0.219 0.000 1.969 116 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 116 A C 1.995 179.702 177.584 0.205 0.000 1.169 116 A CA 1.609 53.747 52.037 0.170 0.000 0.635 116 A CB -0.443 18.630 19.000 0.121 0.000 0.810 116 A HN 0.336 nan 8.150 nan 0.000 0.445 117 D N -1.115 119.473 120.400 0.312 0.000 2.117 117 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 117 D C 1.606 178.119 176.300 0.355 0.000 0.982 117 D CA 1.057 55.286 54.000 0.382 0.000 0.828 117 D CB -0.348 40.797 40.800 0.575 0.000 0.967 117 D HN 0.430 nan 8.370 nan 0.000 0.464 118 F N 1.788 121.855 119.950 0.194 0.000 2.095 118 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 118 F C 2.500 178.220 175.800 -0.134 0.000 1.104 118 F CA 1.554 59.423 58.000 -0.218 0.000 1.232 118 F CB -0.236 38.631 39.000 -0.222 0.000 0.987 118 F HN -0.088 nan 8.300 nan 0.000 0.475 119 Q N -0.196 119.618 119.800 0.024 0.000 2.170 119 Q HA -0.219 4.121 4.340 -0.000 0.000 0.203 119 Q C 1.857 177.787 176.000 -0.117 0.000 0.976 119 Q CA 1.911 57.683 55.803 -0.051 0.000 0.858 119 Q CB -0.374 28.393 28.738 0.049 0.000 0.907 119 Q HN 0.607 nan 8.270 nan 0.000 0.433 120 N N -0.196 118.466 118.700 -0.063 0.000 2.216 120 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 120 N C 1.553 176.989 175.510 -0.125 0.000 1.017 120 N CA 0.268 53.286 53.050 -0.052 0.000 0.861 120 N CB 0.028 38.528 38.487 0.022 0.000 0.986 120 N HN 0.082 nan 8.380 nan 0.000 0.428 121 L N 1.670 122.767 121.223 -0.210 0.000 1.989 121 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 121 L C 1.747 178.383 176.870 -0.390 0.000 1.071 121 L CA 1.554 56.214 54.840 -0.299 0.000 0.749 121 L CB -0.655 41.100 42.059 -0.507 0.000 0.890 121 L HN 0.181 nan 8.230 nan 0.000 0.431 122 I N -0.138 120.108 120.570 -0.539 0.000 2.361 122 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 122 I C 2.618 178.422 176.117 -0.521 0.000 1.133 122 I CA 1.294 62.229 61.300 -0.607 0.000 1.413 122 I CB -1.826 35.840 38.000 -0.555 0.000 1.073 122 I HN 0.353 nan 8.210 nan 0.000 0.424 123 A N 1.160 123.816 122.820 -0.273 0.000 1.855 123 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 123 A C 2.636 180.168 177.584 -0.086 0.000 1.191 123 A CA 1.922 53.883 52.037 -0.126 0.000 0.613 123 A CB -0.860 18.100 19.000 -0.067 0.000 0.829 123 A HN 0.384 nan 8.150 nan 0.000 0.442 124 A N -0.026 122.738 122.820 -0.094 0.000 1.883 124 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 124 A C 2.548 180.101 177.584 -0.053 0.000 1.186 124 A CA 2.525 54.529 52.037 -0.054 0.000 0.624 124 A CB -1.225 17.749 19.000 -0.043 0.000 0.822 124 A HN 1.132 nan 8.150 nan 0.000 0.444 125 A N -0.613 122.140 122.820 -0.112 0.000 1.859 125 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 125 A C 1.942 179.540 177.584 0.022 0.000 1.198 125 A CA 1.905 53.895 52.037 -0.078 0.000 0.629 125 A CB -1.288 17.625 19.000 -0.144 0.000 0.830 125 A HN 0.771 nan 8.150 nan 0.000 0.446 126 H N -0.830 118.209 119.070 -0.052 0.000 2.353 126 H HA -0.097 4.459 4.556 -0.000 0.000 0.298 126 H C 2.470 177.772 175.328 -0.044 0.000 1.103 126 H CA 0.802 56.821 56.048 -0.049 0.000 1.293 126 H CB -0.053 29.681 29.762 -0.047 0.000 1.372 126 H HN 0.576 nan 8.280 nan 0.000 0.501 127 A N 1.134 124.006 122.820 0.087 0.000 2.024 127 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 127 A C 1.746 179.340 177.584 0.015 0.000 1.164 127 A CA 1.309 53.367 52.037 0.035 0.000 0.643 127 A CB 0.011 19.021 19.000 0.016 0.000 0.806 127 A HN 0.226 nan 8.150 nan 0.000 0.451 128 K N -0.428 119.981 120.400 0.015 0.000 2.437 128 K HA 0.106 4.426 4.320 -0.000 0.000 0.205 128 K C -0.331 176.264 176.600 -0.010 0.000 1.026 128 K CA -0.095 56.191 56.287 -0.002 0.000 1.153 128 K CB 0.079 32.575 32.500 -0.006 0.000 0.863 128 K HN 0.450 nan 8.250 nan 0.000 0.502 129 N N 0.725 119.425 118.700 -0.001 0.000 2.818 129 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 129 N C -0.694 174.801 175.510 -0.026 0.000 1.108 129 N CA 0.663 53.696 53.050 -0.028 0.000 0.745 129 N CB -1.626 36.827 38.487 -0.057 0.000 1.104 129 N HN 0.322 nan 8.380 nan 0.000 0.557 130 I N 0.823 121.407 120.570 0.024 0.000 2.354 130 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 130 I C 0.703 176.886 176.117 0.110 0.000 0.989 130 I CA -0.569 60.750 61.300 0.032 0.000 1.188 130 I CB 1.401 39.413 38.000 0.020 0.000 1.342 130 I HN -0.192 nan 8.210 nan 0.000 0.457 131 K N 4.476 124.924 120.400 0.081 0.000 2.202 131 K HA 0.536 4.856 4.320 -0.000 0.000 0.264 131 K C -0.892 175.852 176.600 0.239 0.000 1.010 131 K CA -0.531 55.857 56.287 0.169 0.000 0.940 131 K CB 1.641 34.153 32.500 0.021 0.000 0.983 131 K HN 0.282 nan 8.250 nan 0.000 0.475 132 V N 4.084 124.160 119.914 0.269 0.000 2.448 132 V HA 0.424 4.544 4.120 -0.000 0.000 0.295 132 V C -0.287 175.959 176.094 0.254 0.000 1.025 132 V CA -0.761 61.653 62.300 0.190 0.000 0.859 132 V CB 1.290 33.114 31.823 0.001 0.000 0.988 132 V HN 0.583 nan 8.190 nan 0.000 0.431 133 I N 5.719 126.440 120.570 0.252 0.000 2.569 133 I HA 0.633 4.803 4.170 -0.000 0.000 0.296 133 I C -0.426 175.803 176.117 0.188 0.000 1.028 133 I CA -0.702 60.716 61.300 0.198 0.000 1.082 133 I CB 2.091 40.196 38.000 0.175 0.000 1.264 133 I HN 0.637 nan 8.210 nan 0.000 0.429 134 I N -0.047 120.583 120.570 0.099 0.000 2.785 134 I HA 0.619 4.788 4.170 -0.000 0.000 0.302 134 I C -1.038 175.109 176.117 0.049 0.000 1.069 134 I CA -0.815 60.554 61.300 0.115 0.000 1.045 134 I CB 2.004 40.043 38.000 0.065 0.000 1.236 134 I HN 0.279 nan 8.210 nan 0.000 0.429 135 D N 2.891 123.368 120.400 0.129 0.000 2.341 135 D HA 0.410 5.050 4.640 -0.000 0.000 0.245 135 D C -1.428 174.976 176.300 0.174 0.000 1.106 135 D CA 0.657 54.736 54.000 0.132 0.000 0.905 135 D CB 1.204 42.101 40.800 0.163 0.000 1.202 135 D HN 0.424 nan 8.370 nan 0.000 0.426 136 F N 0.713 120.653 119.950 -0.017 0.000 2.557 136 F HA 0.504 5.031 4.527 -0.000 0.000 0.316 136 F C -0.776 175.062 175.800 0.062 0.000 1.141 136 F CA -0.921 57.091 58.000 0.019 0.000 0.922 136 F CB 1.668 40.672 39.000 0.007 0.000 1.194 136 F HN 0.282 nan 8.300 nan 0.000 0.443 137 A N 7.023 129.713 122.820 -0.216 0.000 3.258 137 A HA 0.472 4.792 4.320 -0.000 0.000 0.318 137 A C -2.376 175.061 177.584 -0.245 0.000 0.990 137 A CA -1.050 50.906 52.037 -0.135 0.000 0.885 137 A CB -0.251 18.765 19.000 0.026 0.000 1.090 137 A HN 0.419 nan 8.150 nan 0.000 0.479 138 P HA -0.050 nan 4.420 nan 0.000 0.252 138 P C 0.653 177.911 177.300 -0.070 0.000 1.265 138 P CA 0.644 63.575 63.100 -0.281 0.000 0.775 138 P CB -0.052 31.549 31.700 -0.164 0.000 1.128 139 N N 0.601 119.228 118.700 -0.122 0.000 2.376 139 N HA -0.088 4.652 4.740 -0.000 0.000 0.177 139 N C 0.736 176.300 175.510 0.089 0.000 1.024 139 N CA 0.365 53.445 53.050 0.050 0.000 0.893 139 N CB 0.074 38.644 38.487 0.139 0.000 0.980 139 N HN 0.280 nan 8.380 nan 0.000 0.439 140 H N -4.543 114.617 119.070 0.149 0.000 2.918 140 H HA 0.260 4.816 4.556 -0.000 0.000 0.303 140 H C -0.221 175.259 175.328 0.255 0.000 1.380 140 H CA -0.176 55.967 56.048 0.157 0.000 1.134 140 H CB 0.664 30.482 29.762 0.094 0.000 1.842 140 H HN 0.037 nan 8.280 nan 0.000 0.533 141 T N -0.543 114.277 114.554 0.444 0.000 3.074 141 T HA 0.344 4.694 4.350 -0.000 0.000 0.182 141 T C 0.702 175.593 174.700 0.319 0.000 0.747 141 T CA 0.650 62.967 62.100 0.362 0.000 1.884 141 T CB -0.554 68.512 68.868 0.329 0.000 2.388 141 T HN 0.795 nan 8.240 nan 0.000 0.421 142 S N 1.050 116.782 115.700 0.053 0.000 2.704 142 S HA 0.711 5.181 4.470 -0.000 0.000 0.296 142 S C -3.266 171.098 174.600 -0.395 0.000 1.138 142 S CA -1.755 56.328 58.200 -0.196 0.000 0.875 142 S CB 1.248 64.344 63.200 -0.174 0.000 1.151 142 S HN 0.375 nan 8.310 nan 0.000 0.500 143 P HA 0.446 nan 4.420 nan 0.000 0.267 143 P C -1.006 176.169 177.300 -0.209 0.000 1.205 143 P CA 0.215 63.079 63.100 -0.393 0.000 0.765 143 P CB 0.340 31.812 31.700 -0.379 0.000 0.828 144 A N 2.360 125.107 122.820 -0.123 0.000 2.556 144 A HA 0.684 5.004 4.320 -0.000 0.000 0.294 144 A C -0.880 176.723 177.584 0.031 0.000 1.091 144 A CA -0.558 51.449 52.037 -0.051 0.000 0.704 144 A CB 1.599 20.379 19.000 -0.367 0.000 1.300 144 A HN 0.360 nan 8.150 nan 0.000 0.406 145 S N 0.181 115.991 115.700 0.183 0.000 2.707 145 S HA 0.416 4.886 4.470 -0.000 0.000 0.312 145 S C 1.121 175.829 174.600 0.179 0.000 1.116 145 S CA 0.257 58.512 58.200 0.091 0.000 1.078 145 S CB 1.076 64.229 63.200 -0.079 0.000 0.997 145 S HN 1.890 nan 8.310 nan 0.000 0.477 146 S N 3.417 119.273 115.700 0.260 0.000 2.440 146 S HA -0.177 4.293 4.470 -0.000 0.000 0.240 146 S C 0.770 175.404 174.600 0.057 0.000 1.014 146 S CA 1.940 60.257 58.200 0.195 0.000 0.980 146 S CB -0.531 62.748 63.200 0.132 0.000 0.775 146 S HN 0.895 nan 8.310 nan 0.000 0.499 147 D N -1.141 119.284 120.400 0.042 0.000 2.469 147 D HA 0.205 4.845 4.640 -0.000 0.000 0.213 147 D C 0.703 177.013 176.300 0.016 0.000 1.135 147 D CA -0.223 53.783 54.000 0.011 0.000 0.834 147 D CB -0.117 40.678 40.800 -0.009 0.000 1.009 147 D HN 0.421 nan 8.370 nan 0.000 0.507 148 Q N 0.548 120.372 119.800 0.039 0.000 2.831 148 Q HA 0.205 4.545 4.340 -0.000 0.000 0.366 148 Q C -1.913 174.150 176.000 0.105 0.000 0.899 148 Q CA -1.923 53.913 55.803 0.055 0.000 0.987 148 Q CB 1.270 30.026 28.738 0.032 0.000 1.382 148 Q HN 0.007 nan 8.270 nan 0.000 0.403 149 P HA -0.226 nan 4.420 nan 0.000 0.219 149 P C 0.855 178.192 177.300 0.061 0.000 1.144 149 P CA 1.477 64.616 63.100 0.065 0.000 0.806 149 P CB 0.194 31.914 31.700 0.034 0.000 0.771 150 S N -1.897 113.844 115.700 0.069 0.000 2.489 150 S HA -0.042 4.428 4.470 -0.000 0.000 0.228 150 S C 0.605 175.245 174.600 0.067 0.000 0.995 150 S CA -0.328 57.903 58.200 0.053 0.000 0.934 150 S CB -1.122 62.105 63.200 0.045 0.000 0.771 150 S HN 0.072 nan 8.310 nan 0.000 0.522 151 F N 4.123 124.049 119.950 -0.041 0.000 2.541 151 F HA 0.474 5.000 4.527 -0.000 0.000 0.378 151 F C 0.968 176.716 175.800 -0.086 0.000 1.068 151 F CA -0.320 57.638 58.000 -0.069 0.000 1.199 151 F CB -0.502 38.452 39.000 -0.078 0.000 1.091 151 F HN 0.469 nan 8.300 nan 0.000 0.555 152 A N 4.852 127.142 122.820 -0.884 0.000 5.695 152 A HA -0.340 3.980 4.320 -0.000 0.000 0.297 152 A C 1.004 178.397 177.584 -0.318 0.000 1.947 152 A CA 1.318 52.906 52.037 -0.749 0.000 0.717 152 A CB -1.413 16.917 19.000 -1.117 0.000 1.252 152 A HN 0.818 nan 8.150 nan 0.000 0.378 153 E N 1.185 121.241 120.200 -0.240 0.000 2.437 153 E HA 0.203 4.553 4.350 -0.000 0.000 0.195 153 E C 0.505 177.069 176.600 -0.060 0.000 1.029 153 E CA 0.367 56.720 56.400 -0.079 0.000 0.948 153 E CB -0.189 29.519 29.700 0.013 0.000 1.082 153 E HN 0.651 nan 8.360 nan 0.000 0.456 154 N N 0.689 119.332 118.700 -0.096 0.000 2.708 154 N HA -0.249 4.491 4.740 -0.000 0.000 0.249 154 N C 0.683 176.135 175.510 -0.097 0.000 1.097 154 N CA 0.396 53.425 53.050 -0.036 0.000 0.710 154 N CB -0.846 37.652 38.487 0.018 0.000 1.032 154 N HN 0.558 nan 8.380 nan 0.000 0.551 155 G N 0.088 108.785 108.800 -0.172 0.000 2.233 155 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.270 155 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.270 155 G C 0.236 175.068 174.900 -0.113 0.000 1.011 155 G CA 0.807 45.762 45.100 -0.242 0.000 0.762 155 G HN 0.665 nan 8.290 nan 0.000 0.511 156 R N -1.081 119.416 120.500 -0.005 0.000 2.640 156 R HA 0.351 4.691 4.340 -0.000 0.000 0.270 156 R C 0.128 176.484 176.300 0.093 0.000 1.024 156 R CA -0.029 56.090 56.100 0.031 0.000 1.085 156 R CB 0.477 30.769 30.300 -0.013 0.000 0.963 156 R HN 0.294 nan 8.270 nan 0.000 0.426 157 L N 3.732 124.949 121.223 -0.009 0.000 2.362 157 L HA 0.415 4.754 4.340 -0.000 0.000 0.275 157 L C -1.548 175.133 176.870 -0.315 0.000 0.998 157 L CA -0.448 54.398 54.840 0.011 0.000 0.820 157 L CB 1.177 43.292 42.059 0.094 0.000 1.270 157 L HN 0.416 nan 8.230 nan 0.000 0.415 158 Y N 1.834 122.165 120.300 0.052 0.000 2.562 158 Y HA 0.543 5.093 4.550 -0.000 0.000 0.343 158 Y C -0.568 175.359 175.900 0.045 0.000 1.025 158 Y CA -0.897 57.224 58.100 0.035 0.000 1.082 158 Y CB 1.672 40.190 38.460 0.095 0.000 1.264 158 Y HN 0.533 nan 8.280 nan 0.000 0.478 159 D N 1.773 122.315 120.400 0.237 0.000 2.446 159 D HA 0.153 4.793 4.640 -0.000 0.000 0.251 159 D C -0.680 175.809 176.300 0.314 0.000 1.137 159 D CA -0.486 53.709 54.000 0.326 0.000 0.890 159 D CB -0.075 40.813 40.800 0.147 0.000 1.071 159 D HN 0.594 nan 8.370 nan 0.000 0.528 160 N N 3.374 122.272 118.700 0.330 0.000 2.696 160 N HA -0.209 4.531 4.740 -0.000 0.000 0.256 160 N C 1.050 176.659 175.510 0.165 0.000 1.031 160 N CA 1.887 55.065 53.050 0.214 0.000 0.730 160 N CB -1.087 37.503 38.487 0.172 0.000 0.894 160 N HN 0.852 nan 8.380 nan 0.000 0.544 161 G N -1.706 107.193 108.800 0.164 0.000 2.267 161 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.257 161 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.257 161 G C 0.347 175.384 174.900 0.229 0.000 0.998 161 G CA 0.703 45.863 45.100 0.100 0.000 0.620 161 G HN 0.731 nan 8.290 nan 0.000 0.529 162 T N 2.519 117.224 114.554 0.251 0.000 2.780 162 T HA 0.497 4.847 4.350 -0.000 0.000 0.294 162 T C 0.500 175.351 174.700 0.251 0.000 0.949 162 T CA -0.428 61.805 62.100 0.223 0.000 1.074 162 T CB 1.557 70.501 68.868 0.127 0.000 0.910 162 T HN 0.327 nan 8.240 nan 0.000 0.501 163 L N 5.682 127.021 121.223 0.193 0.000 2.530 163 L HA 0.141 4.480 4.340 -0.000 0.000 0.273 163 L C 0.805 177.571 176.870 -0.174 0.000 1.141 163 L CA 0.182 54.934 54.840 -0.146 0.000 0.905 163 L CB 0.106 42.094 42.059 -0.117 0.000 1.202 163 L HN 0.803 nan 8.230 nan 0.000 0.473 164 L N 5.261 126.320 121.223 -0.274 0.000 2.102 164 L HA 0.240 4.579 4.340 -0.000 0.000 0.202 164 L C 1.039 177.814 176.870 -0.158 0.000 1.076 164 L CA 0.855 55.572 54.840 -0.205 0.000 0.761 164 L CB -0.176 41.716 42.059 -0.277 0.000 0.921 164 L HN 0.800 nan 8.230 nan 0.000 0.444 165 G N -1.920 106.786 108.800 -0.157 0.000 2.328 165 G HA2 0.446 4.406 3.960 -0.000 0.000 0.295 165 G HA3 0.446 4.406 3.960 -0.000 0.000 0.295 165 G C -1.485 173.476 174.900 0.102 0.000 1.413 165 G CA -0.208 44.877 45.100 -0.025 0.000 0.817 165 G HN 0.172 nan 8.290 nan 0.000 0.546 166 G N -1.819 107.067 108.800 0.144 0.000 2.685 166 G HA2 0.509 4.469 3.960 -0.000 0.000 0.298 166 G HA3 0.509 4.469 3.960 -0.000 0.000 0.298 166 G C 0.193 175.177 174.900 0.139 0.000 1.277 166 G CA -0.350 44.824 45.100 0.124 0.000 0.986 166 G HN 0.680 nan 8.290 nan 0.000 0.487 167 Y N 0.325 120.488 120.300 -0.227 0.000 2.293 167 Y HA 0.085 4.635 4.550 -0.000 0.000 0.291 167 Y C 1.766 177.673 175.900 0.011 0.000 1.137 167 Y CA 1.232 59.175 58.100 -0.262 0.000 1.202 167 Y CB 0.007 38.227 38.460 -0.400 0.000 0.990 167 Y HN 0.312 nan 8.280 nan 0.000 0.537 168 T N 2.518 117.047 114.554 -0.042 0.000 2.856 168 T HA 0.109 4.459 4.350 -0.000 0.000 0.292 168 T C -0.041 174.602 174.700 -0.095 0.000 0.980 168 T CA -0.243 61.801 62.100 -0.094 0.000 1.091 168 T CB 0.368 69.221 68.868 -0.024 0.000 0.936 168 T HN 0.335 nan 8.240 nan 0.000 0.503 169 N N 1.409 120.021 118.700 -0.147 0.000 2.776 169 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 169 N C -0.608 174.834 175.510 -0.112 0.000 1.111 169 N CA 0.426 53.401 53.050 -0.125 0.000 0.711 169 N CB -0.820 37.625 38.487 -0.070 0.000 1.065 169 N HN 0.784 nan 8.380 nan 0.000 0.556 170 D N 0.929 121.234 120.400 -0.158 0.000 2.489 170 D HA 0.103 4.743 4.640 -0.000 0.000 0.237 170 D C 1.484 177.733 176.300 -0.084 0.000 1.212 170 D CA 0.536 54.514 54.000 -0.036 0.000 1.058 170 D CB 0.278 41.212 40.800 0.223 0.000 1.098 170 D HN 0.333 nan 8.370 nan 0.000 0.509 171 T N 0.484 115.000 114.554 -0.064 0.000 2.851 171 T HA -0.172 4.178 4.350 -0.000 0.000 0.262 171 T C 1.770 176.444 174.700 -0.045 0.000 1.043 171 T CA 0.706 62.767 62.100 -0.065 0.000 1.140 171 T CB -0.250 68.585 68.868 -0.055 0.000 0.872 171 T HN 0.323 nan 8.240 nan 0.000 0.446 172 Q N 1.006 120.786 119.800 -0.034 0.000 2.226 172 Q HA -0.001 4.339 4.340 -0.000 0.000 0.204 172 Q C 0.413 176.388 176.000 -0.043 0.000 0.975 172 Q CA 0.783 56.560 55.803 -0.043 0.000 0.866 172 Q CB -0.199 28.502 28.738 -0.061 0.000 0.915 172 Q HN 0.625 nan 8.270 nan 0.000 0.440 173 N N -1.530 117.164 118.700 -0.011 0.000 2.862 173 N HA -0.157 4.583 4.740 -0.000 0.000 0.246 173 N C 0.036 175.509 175.510 -0.062 0.000 1.111 173 N CA 0.045 53.112 53.050 0.028 0.000 0.688 173 N CB -1.032 37.462 38.487 0.011 0.000 1.018 173 N HN 0.171 nan 8.380 nan 0.000 0.556 174 L N -1.487 119.641 121.223 -0.158 0.000 2.201 174 L HA 0.041 4.381 4.340 -0.000 0.000 0.212 174 L C 0.687 177.167 176.870 -0.650 0.000 1.105 174 L CA 0.995 55.544 54.840 -0.486 0.000 0.775 174 L CB -0.251 41.346 42.059 -0.771 0.000 0.913 174 L HN 0.136 nan 8.230 nan 0.000 0.440 175 F N -2.154 117.744 119.950 -0.086 0.000 2.509 175 F HA 0.382 4.909 4.527 -0.000 0.000 0.334 175 F C 0.478 176.102 175.800 -0.293 0.000 1.060 175 F CA -0.927 56.965 58.000 -0.180 0.000 0.997 175 F CB 0.563 39.587 39.000 0.039 0.000 1.271 175 F HN -0.228 nan 8.300 nan 0.000 0.488 176 H N -0.173 118.889 119.070 -0.013 0.000 2.487 176 H HA 0.306 4.862 4.556 -0.000 0.000 0.333 176 H C -0.593 174.571 175.328 -0.273 0.000 1.114 176 H CA -0.440 55.563 56.048 -0.074 0.000 1.310 176 H CB 0.702 30.469 29.762 0.008 0.000 1.462 176 H HN 0.451 nan 8.280 nan 0.000 0.516 177 H N 2.896 122.109 119.070 0.238 0.000 2.429 177 H HA 0.135 4.691 4.556 -0.000 0.000 0.237 177 H C -0.069 175.292 175.328 0.055 0.000 1.378 177 H CA -0.218 55.902 56.048 0.121 0.000 1.170 177 H CB 0.263 30.017 29.762 -0.014 0.000 1.671 177 H HN 0.678 nan 8.280 nan 0.000 0.541 178 N N 0.683 119.438 118.700 0.092 0.000 2.184 178 N HA 0.143 4.883 4.740 -0.000 0.000 0.206 178 N C 1.193 176.696 175.510 -0.011 0.000 1.151 178 N CA 0.661 53.716 53.050 0.007 0.000 0.878 178 N CB 2.273 40.723 38.487 -0.062 0.000 1.014 178 N HN 0.641 nan 8.380 nan 0.000 0.512 179 G N -0.197 108.610 108.800 0.013 0.000 2.500 179 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.209 179 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.209 179 G C -0.342 174.518 174.900 -0.066 0.000 1.283 179 G CA -0.559 44.528 45.100 -0.022 0.000 0.960 179 G HN 0.365 nan 8.290 nan 0.000 0.528 180 G N -0.918 107.823 108.800 -0.099 0.000 2.400 180 G HA2 0.712 4.671 3.960 -0.000 0.000 0.333 180 G HA3 0.712 4.671 3.960 -0.000 0.000 0.333 180 G C 0.162 174.941 174.900 -0.202 0.000 1.143 180 G CA 1.006 46.012 45.100 -0.158 0.000 0.914 180 G HN 1.385 nan 8.290 nan 0.000 0.480 181 T N -0.811 113.553 114.554 -0.317 0.000 2.899 181 T HA 0.291 4.641 4.350 -0.000 0.000 0.295 181 T C 0.508 174.959 174.700 -0.415 0.000 1.033 181 T CA -0.094 61.770 62.100 -0.393 0.000 1.084 181 T CB 0.919 69.444 68.868 -0.571 0.000 0.979 181 T HN 0.559 nan 8.240 nan 0.000 0.532 182 D N 2.156 122.394 120.400 -0.270 0.000 2.559 182 D HA 0.096 4.736 4.640 -0.000 0.000 0.234 182 D C 0.470 176.781 176.300 0.018 0.000 1.226 182 D CA -0.587 53.345 54.000 -0.113 0.000 0.830 182 D CB -0.942 39.829 40.800 -0.048 0.000 1.028 182 D HN 0.576 nan 8.370 nan 0.000 0.492 183 F N 0.617 120.540 119.950 -0.045 0.000 3.112 183 F HA -0.348 4.179 4.527 -0.000 0.000 0.280 183 F C 2.099 177.887 175.800 -0.019 0.000 0.863 183 F CA 0.876 58.862 58.000 -0.023 0.000 0.987 183 F CB -2.405 36.578 39.000 -0.029 0.000 1.153 183 F HN 0.251 nan 8.300 nan 0.000 0.517 184 S N -1.276 114.464 115.700 0.067 0.000 2.383 184 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 184 S C 0.962 175.578 174.600 0.026 0.000 1.026 184 S CA 1.336 59.558 58.200 0.037 0.000 0.981 184 S CB -0.149 63.053 63.200 0.002 0.000 0.818 184 S HN 0.572 nan 8.310 nan 0.000 0.472 185 T N -3.418 111.136 114.554 -0.001 0.000 2.841 185 T HA 0.512 4.862 4.350 -0.000 0.000 0.296 185 T C 0.609 175.286 174.700 -0.037 0.000 1.166 185 T CA -0.243 61.849 62.100 -0.013 0.000 1.007 185 T CB 1.142 69.978 68.868 -0.054 0.000 1.253 185 T HN -0.076 nan 8.240 nan 0.000 0.511 186 T N 0.368 114.901 114.554 -0.034 0.000 2.746 186 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 186 T C 1.695 176.245 174.700 -0.249 0.000 1.039 186 T CA 1.834 63.890 62.100 -0.073 0.000 1.142 186 T CB -0.392 68.527 68.868 0.085 0.000 0.866 186 T HN 0.818 nan 8.240 nan 0.000 0.444 187 E N 1.115 121.066 120.200 -0.415 0.000 2.118 187 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 187 E C 2.285 178.742 176.600 -0.238 0.000 0.992 187 E CA 0.957 56.980 56.400 -0.628 0.000 0.804 187 E CB -0.156 29.041 29.700 -0.839 0.000 0.741 187 E HN 0.357 nan 8.360 nan 0.000 0.458 188 N N 0.120 118.716 118.700 -0.173 0.000 2.120 188 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 188 N C 1.785 177.210 175.510 -0.142 0.000 1.024 188 N CA 1.496 54.471 53.050 -0.125 0.000 0.852 188 N CB -0.238 38.183 38.487 -0.110 0.000 1.003 188 N HN 0.242 nan 8.380 nan 0.000 0.424 189 G N -0.148 108.579 108.800 -0.123 0.000 2.920 189 G HA2 0.099 4.059 3.960 -0.000 0.000 0.208 189 G HA3 0.099 4.059 3.960 -0.000 0.000 0.208 189 G C 1.535 176.448 174.900 0.023 0.000 1.159 189 G CA -0.113 44.956 45.100 -0.051 0.000 0.784 189 G HN 0.290 nan 8.290 nan 0.000 0.535 190 I N -1.409 119.067 120.570 -0.157 0.000 2.899 190 I HA 0.112 4.282 4.170 -0.000 0.000 0.257 190 I C 1.330 177.204 176.117 -0.405 0.000 1.115 190 I CA 0.340 61.448 61.300 -0.320 0.000 1.451 190 I CB 0.230 37.890 38.000 -0.566 0.000 1.251 190 I HN 0.087 nan 8.210 nan 0.000 0.456 191 Y N 1.619 121.816 120.300 -0.172 0.000 2.461 191 Y HA 0.250 4.800 4.550 -0.000 0.000 0.277 191 Y C 0.661 176.328 175.900 -0.388 0.000 1.182 191 Y CA -0.083 57.779 58.100 -0.397 0.000 1.276 191 Y CB -0.217 38.007 38.460 -0.394 0.000 1.087 191 Y HN -0.029 nan 8.280 nan 0.000 0.519 192 K N 0.001 120.324 120.400 -0.127 0.000 2.346 192 K HA 0.335 4.655 4.320 -0.000 0.000 0.238 192 K C -0.726 175.810 176.600 -0.105 0.000 1.039 192 K CA -1.255 54.962 56.287 -0.117 0.000 0.861 192 K CB 0.903 33.314 32.500 -0.150 0.000 1.278 192 K HN -0.115 nan 8.250 nan 0.000 0.460 193 N N 1.099 119.725 118.700 -0.124 0.000 2.530 193 N HA 0.180 4.920 4.740 -0.000 0.000 0.277 193 N C -0.467 174.896 175.510 -0.245 0.000 1.168 193 N CA -0.207 52.751 53.050 -0.153 0.000 0.979 193 N CB 0.522 38.906 38.487 -0.172 0.000 1.141 193 N HN 0.353 nan 8.380 nan 0.000 0.459 194 L N 2.237 123.315 121.223 -0.243 0.000 2.356 194 L HA 0.199 4.538 4.340 -0.000 0.000 0.282 194 L C 1.549 178.292 176.870 -0.213 0.000 1.132 194 L CA -0.063 54.609 54.840 -0.281 0.000 0.923 194 L CB -0.686 41.221 42.059 -0.252 0.000 1.278 194 L HN 0.851 nan 8.230 nan 0.000 0.436 195 G N 3.398 112.077 108.800 -0.203 0.000 2.595 195 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.297 195 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.297 195 G C 0.458 175.258 174.900 -0.166 0.000 1.181 195 G CA 0.411 45.420 45.100 -0.152 0.000 0.963 195 G HN 0.769 nan 8.290 nan 0.000 0.541 196 D N 0.804 121.107 120.400 -0.161 0.000 2.469 196 D HA 0.277 4.917 4.640 -0.000 0.000 0.215 196 D C 1.000 177.149 176.300 -0.251 0.000 1.154 196 D CA -0.251 53.645 54.000 -0.175 0.000 0.832 196 D CB -0.249 40.496 40.800 -0.092 0.000 1.008 196 D HN 0.560 nan 8.370 nan 0.000 0.506 197 L N 1.490 122.548 121.223 -0.275 0.000 2.410 197 L HA 0.332 4.672 4.340 -0.000 0.000 0.273 197 L C 0.778 177.453 176.870 -0.326 0.000 1.144 197 L CA -0.664 53.975 54.840 -0.335 0.000 0.863 197 L CB 0.873 42.658 42.059 -0.458 0.000 1.140 197 L HN 0.018 nan 8.230 nan 0.000 0.463 198 A N 3.044 125.635 122.820 -0.381 0.000 2.496 198 A HA -0.003 4.317 4.320 -0.000 0.000 0.278 198 A C -0.013 177.549 177.584 -0.036 0.000 1.137 198 A CA -0.237 51.505 52.037 -0.492 0.000 0.805 198 A CB -0.385 18.157 19.000 -0.763 0.000 1.077 198 A HN 0.720 nan 8.150 nan 0.000 0.513 199 D N 2.737 123.129 120.400 -0.014 0.000 2.346 199 D HA 0.314 4.954 4.640 -0.000 0.000 0.260 199 D C 0.180 176.530 176.300 0.083 0.000 1.252 199 D CA 0.287 54.352 54.000 0.108 0.000 0.895 199 D CB 0.232 41.125 40.800 0.155 0.000 1.097 199 D HN 0.490 nan 8.370 nan 0.000 0.489 200 L N 3.357 124.565 121.223 -0.025 0.000 2.456 200 L HA 0.107 4.447 4.340 -0.000 0.000 0.272 200 L C 0.697 177.101 176.870 -0.777 0.000 1.189 200 L CA -0.207 54.402 54.840 -0.386 0.000 0.846 200 L CB 0.373 42.138 42.059 -0.490 0.000 1.111 200 L HN 0.418 nan 8.230 nan 0.000 0.475 201 N N 0.689 118.879 118.700 -0.850 0.000 2.589 201 N HA 0.134 4.874 4.740 -0.000 0.000 0.232 201 N C 0.498 175.601 175.510 -0.678 0.000 1.015 201 N CA -0.331 52.221 53.050 -0.829 0.000 0.931 201 N CB 0.417 38.528 38.487 -0.627 0.000 1.150 201 N HN 0.415 nan 8.380 nan 0.000 0.512 202 H N 1.157 119.959 119.070 -0.446 0.000 2.543 202 H HA -0.029 4.527 4.556 -0.000 0.000 0.286 202 H C 1.144 176.304 175.328 -0.279 0.000 1.037 202 H CA 0.869 56.540 56.048 -0.628 0.000 1.250 202 H CB 0.186 29.174 29.762 -1.291 0.000 1.373 202 H HN 0.554 nan 8.280 nan 0.000 0.580 203 N N 0.541 119.216 118.700 -0.042 0.000 2.463 203 N HA -0.106 4.633 4.740 -0.000 0.000 0.181 203 N C 0.163 175.681 175.510 0.014 0.000 1.078 203 N CA -0.056 53.032 53.050 0.063 0.000 0.902 203 N CB 0.145 38.715 38.487 0.138 0.000 0.970 203 N HN 0.185 nan 8.380 nan 0.000 0.451 204 N N 0.027 118.684 118.700 -0.072 0.000 2.472 204 N HA 0.056 4.796 4.740 -0.000 0.000 0.277 204 N C 0.248 175.742 175.510 -0.027 0.000 1.081 204 N CA 0.164 53.175 53.050 -0.065 0.000 0.973 204 N CB 1.273 39.680 38.487 -0.134 0.000 1.105 204 N HN -0.004 nan 8.380 nan 0.000 0.470 205 S N 2.455 118.165 115.700 0.015 0.000 2.383 205 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 205 S C 1.605 176.238 174.600 0.055 0.000 1.030 205 S CA 1.830 60.063 58.200 0.055 0.000 1.002 205 S CB -0.280 62.954 63.200 0.057 0.000 0.829 205 S HN 0.765 nan 8.310 nan 0.000 0.467 206 T N 2.134 116.695 114.554 0.012 0.000 2.684 206 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 206 T C 1.938 176.662 174.700 0.039 0.000 1.036 206 T CA 1.427 63.533 62.100 0.011 0.000 1.148 206 T CB -0.578 68.257 68.868 -0.055 0.000 0.863 206 T HN 0.196 nan 8.240 nan 0.000 0.436 207 V N 1.690 121.579 119.914 -0.041 0.000 2.295 207 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 207 V C 2.443 178.591 176.094 0.091 0.000 1.049 207 V CA 2.137 64.403 62.300 -0.057 0.000 1.024 207 V CB -0.685 30.976 31.823 -0.271 0.000 0.648 207 V HN 0.511 nan 8.190 nan 0.000 0.447 208 D N -0.043 120.425 120.400 0.113 0.000 2.103 208 D HA -0.182 4.458 4.640 -0.000 0.000 0.190 208 D C 1.990 178.504 176.300 0.358 0.000 0.997 208 D CA 2.056 56.256 54.000 0.334 0.000 0.833 208 D CB -0.211 40.791 40.800 0.338 0.000 0.961 208 D HN 0.202 nan 8.370 nan 0.000 0.447 209 V N -0.258 119.798 119.914 0.237 0.000 2.358 209 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 209 V C 2.153 178.369 176.094 0.204 0.000 1.047 209 V CA 1.814 64.228 62.300 0.189 0.000 1.035 209 V CB -0.908 30.998 31.823 0.138 0.000 0.658 209 V HN 0.336 nan 8.190 nan 0.000 0.452 210 Y N 0.739 121.101 120.300 0.103 0.000 2.114 210 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 210 Y C 2.157 178.148 175.900 0.151 0.000 1.165 210 Y CA 1.809 59.971 58.100 0.103 0.000 1.148 210 Y CB -0.303 38.197 38.460 0.065 0.000 0.972 210 Y HN 0.165 nan 8.280 nan 0.000 0.504 211 L N -0.175 121.128 121.223 0.133 0.000 2.093 211 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 211 L C 2.343 179.386 176.870 0.289 0.000 1.085 211 L CA 1.617 56.561 54.840 0.173 0.000 0.755 211 L CB -0.477 41.829 42.059 0.413 0.000 0.904 211 L HN 0.102 nan 8.230 nan 0.000 0.435 212 K N -0.305 120.249 120.400 0.256 0.000 2.211 212 K HA -0.126 4.194 4.320 -0.000 0.000 0.203 212 K C 1.574 178.145 176.600 -0.048 0.000 1.050 212 K CA 1.048 57.378 56.287 0.072 0.000 0.945 212 K CB -0.024 32.501 32.500 0.040 0.000 0.732 212 K HN 0.234 nan 8.250 nan 0.000 0.451 213 D N 0.465 120.852 120.400 -0.022 0.000 2.162 213 D HA -0.022 4.618 4.640 -0.000 0.000 0.203 213 D C 1.868 178.133 176.300 -0.060 0.000 0.967 213 D CA 0.909 54.869 54.000 -0.067 0.000 0.840 213 D CB -0.029 40.755 40.800 -0.026 0.000 0.972 213 D HN 0.144 nan 8.370 nan 0.000 0.482 214 A N 1.122 123.912 122.820 -0.050 0.000 1.883 214 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 214 A C 2.226 179.953 177.584 0.238 0.000 1.186 214 A CA 0.992 53.078 52.037 0.081 0.000 0.624 214 A CB -0.726 18.304 19.000 0.050 0.000 0.822 214 A HN 0.221 nan 8.150 nan 0.000 0.444 215 I N -0.458 120.183 120.570 0.118 0.000 2.567 215 I HA -0.182 3.988 4.170 -0.000 0.000 0.257 215 I C 2.049 178.168 176.117 0.003 0.000 1.184 215 I CA 1.459 62.733 61.300 -0.044 0.000 1.451 215 I CB -0.120 37.690 38.000 -0.317 0.000 1.089 215 I HN 0.248 nan 8.210 nan 0.000 0.441 216 K N -0.317 120.047 120.400 -0.059 0.000 2.155 216 K HA -0.150 4.170 4.320 -0.000 0.000 0.203 216 K C 2.107 178.724 176.600 0.027 0.000 1.052 216 K CA 1.567 57.817 56.287 -0.061 0.000 0.948 216 K CB -0.240 32.056 32.500 -0.339 0.000 0.728 216 K HN 0.408 nan 8.250 nan 0.000 0.448 217 M N -0.080 119.485 119.600 -0.058 0.000 2.080 217 M HA -0.200 4.280 4.480 -0.000 0.000 0.260 217 M C 1.364 177.536 176.300 -0.212 0.000 1.068 217 M CA 1.897 57.084 55.300 -0.188 0.000 1.109 217 M CB -0.214 32.166 32.600 -0.366 0.000 1.342 217 M HN 0.183 nan 8.290 nan 0.000 0.405 218 W N 0.750 122.060 121.300 0.016 0.000 2.363 218 W HA -0.097 4.563 4.660 -0.000 0.000 0.296 218 W C 2.144 178.708 176.519 0.075 0.000 1.212 218 W CA 0.743 58.103 57.345 0.025 0.000 1.260 218 W CB -0.644 28.802 29.460 -0.024 0.000 1.131 218 W HN 0.206 nan 8.180 nan 0.000 0.530 219 L N 0.042 121.412 121.223 0.244 0.000 2.083 219 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 219 L C 1.844 178.815 176.870 0.167 0.000 1.083 219 L CA 1.243 56.202 54.840 0.198 0.000 0.752 219 L CB -0.705 41.485 42.059 0.219 0.000 0.899 219 L HN -0.049 nan 8.230 nan 0.000 0.433 220 D N -0.071 120.422 120.400 0.155 0.000 2.269 220 D HA -0.084 4.556 4.640 -0.000 0.000 0.208 220 D C 2.152 178.506 176.300 0.090 0.000 0.963 220 D CA 0.929 54.993 54.000 0.107 0.000 0.864 220 D CB 0.041 40.899 40.800 0.097 0.000 0.936 220 D HN 0.310 nan 8.370 nan 0.000 0.505 221 L N -0.532 120.764 121.223 0.121 0.000 2.552 221 L HA 0.134 4.474 4.340 -0.000 0.000 0.227 221 L C 1.540 178.534 176.870 0.208 0.000 1.146 221 L CA 0.577 55.526 54.840 0.182 0.000 0.858 221 L CB -0.031 42.187 42.059 0.265 0.000 0.969 221 L HN 0.102 nan 8.230 nan 0.000 0.451 222 G N 0.631 109.545 108.800 0.190 0.000 2.134 222 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.209 222 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.209 222 G C 0.434 175.468 174.900 0.223 0.000 0.993 222 G CA 0.057 45.267 45.100 0.183 0.000 0.669 222 G HN 0.389 nan 8.290 nan 0.000 0.519 223 I N -2.237 118.484 120.570 0.250 0.000 2.892 223 I HA 0.375 4.545 4.170 -0.000 0.000 0.287 223 I C 0.569 176.836 176.117 0.250 0.000 1.205 223 I CA 0.188 61.637 61.300 0.249 0.000 1.409 223 I CB 0.567 38.734 38.000 0.278 0.000 1.367 223 I HN -0.062 nan 8.210 nan 0.000 0.597 224 D N 3.255 123.833 120.400 0.298 0.000 2.389 224 D HA 0.264 4.904 4.640 -0.000 0.000 0.206 224 D C 0.667 177.224 176.300 0.429 0.000 1.055 224 D CA 0.430 54.661 54.000 0.385 0.000 0.856 224 D CB 1.171 42.253 40.800 0.470 0.000 0.957 224 D HN 0.851 nan 8.370 nan 0.000 0.509 225 G N 0.365 109.322 108.800 0.261 0.000 2.547 225 G HA2 0.526 4.486 3.960 -0.000 0.000 0.291 225 G HA3 0.526 4.486 3.960 -0.000 0.000 0.291 225 G C -1.727 173.181 174.900 0.012 0.000 1.471 225 G CA -0.729 44.443 45.100 0.121 0.000 0.798 225 G HN -0.019 nan 8.290 nan 0.000 0.504 226 I N 0.670 121.182 120.570 -0.097 0.000 2.509 226 I HA 0.544 4.714 4.170 -0.000 0.000 0.293 226 I C -0.173 175.624 176.117 -0.533 0.000 1.020 226 I CA -1.023 60.160 61.300 -0.195 0.000 1.088 226 I CB 2.267 40.210 38.000 -0.095 0.000 1.267 226 I HN 0.210 nan 8.210 nan 0.000 0.430 227 R N 7.323 127.431 120.500 -0.653 0.000 2.288 227 R HA 0.481 4.821 4.340 -0.000 0.000 0.326 227 R C -1.150 174.905 176.300 -0.408 0.000 0.959 227 R CA -0.677 54.774 56.100 -1.082 0.000 0.834 227 R CB 1.130 30.539 30.300 -1.485 0.000 1.157 227 R HN 0.590 nan 8.270 nan 0.000 0.470 228 M N 2.831 122.255 119.600 -0.295 0.000 2.146 228 M HA 0.134 4.614 4.480 -0.000 0.000 0.357 228 M C -0.043 176.270 176.300 0.022 0.000 1.261 228 M CA -0.458 54.812 55.300 -0.050 0.000 1.106 228 M CB 0.982 33.579 32.600 -0.005 0.000 1.612 228 M HN 0.446 nan 8.290 nan 0.000 0.470 229 D N 2.198 122.642 120.400 0.073 0.000 2.210 229 D HA 0.508 5.148 4.640 -0.000 0.000 0.249 229 D C 0.270 176.631 176.300 0.101 0.000 1.062 229 D CA 0.113 54.178 54.000 0.108 0.000 0.891 229 D CB 0.931 41.814 40.800 0.138 0.000 1.186 229 D HN 0.836 nan 8.370 nan 0.000 0.432 230 A N 2.453 125.352 122.820 0.132 0.000 2.687 230 A HA -0.183 4.137 4.320 -0.000 0.000 0.299 230 A C 1.505 179.141 177.584 0.087 0.000 1.497 230 A CA 0.948 53.094 52.037 0.182 0.000 0.751 230 A CB -2.463 16.686 19.000 0.248 0.000 1.048 230 A HN 1.151 nan 8.150 nan 0.000 0.464 231 V N -1.760 118.152 119.914 -0.002 0.000 2.594 231 V HA -0.166 3.954 4.120 -0.000 0.000 0.253 231 V C 1.927 177.843 176.094 -0.296 0.000 1.069 231 V CA 2.557 64.799 62.300 -0.097 0.000 1.082 231 V CB -0.581 31.173 31.823 -0.114 0.000 0.680 231 V HN 0.697 nan 8.190 nan 0.000 0.469 232 K N -0.741 119.318 120.400 -0.569 0.000 2.439 232 K HA -0.090 4.230 4.320 -0.000 0.000 0.197 232 K C 1.521 177.655 176.600 -0.777 0.000 1.041 232 K CA 0.987 56.668 56.287 -1.011 0.000 0.970 232 K CB -0.159 31.294 32.500 -1.745 0.000 0.773 232 K HN 0.724 nan 8.250 nan 0.000 0.479 233 H N -0.742 118.245 119.070 -0.138 0.000 2.549 233 H HA 0.223 4.779 4.556 -0.000 0.000 0.279 233 H C 0.069 175.340 175.328 -0.095 0.000 1.018 233 H CA 0.095 56.080 56.048 -0.106 0.000 1.175 233 H CB 0.276 30.008 29.762 -0.051 0.000 1.485 233 H HN 0.133 nan 8.280 nan 0.000 0.543 234 M N 0.769 120.373 119.600 0.007 0.000 2.690 234 M HA 0.377 4.857 4.480 -0.000 0.000 0.302 234 M C -2.585 173.699 176.300 -0.026 0.000 1.234 234 M CA -2.023 53.274 55.300 -0.005 0.000 0.853 234 M CB 2.578 35.196 32.600 0.030 0.000 1.748 234 M HN -0.227 nan 8.290 nan 0.000 0.469 235 P HA 0.085 nan 4.420 nan 0.000 0.271 235 P C -0.110 177.352 177.300 0.270 0.000 1.220 235 P CA -0.084 62.992 63.100 -0.040 0.000 0.768 235 P CB 0.129 31.879 31.700 0.083 0.000 0.848 236 F N 2.298 122.380 119.950 0.219 0.000 2.095 236 F HA -0.104 4.422 4.527 -0.000 0.000 0.298 236 F C 2.530 178.468 175.800 0.230 0.000 1.104 236 F CA 1.706 59.907 58.000 0.334 0.000 1.232 236 F CB -2.336 36.928 39.000 0.441 0.000 0.987 236 F HN 0.359 nan 8.300 nan 0.000 0.475 237 G N -1.163 107.824 108.800 0.312 0.000 2.418 237 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 237 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 237 G C 1.587 176.619 174.900 0.220 0.000 1.158 237 G CA 0.644 45.883 45.100 0.230 0.000 0.771 237 G HN 0.470 nan 8.290 nan 0.000 0.545 238 W N 1.512 122.895 121.300 0.139 0.000 2.335 238 W HA -0.143 4.517 4.660 -0.000 0.000 0.311 238 W C 2.876 179.478 176.519 0.139 0.000 1.213 238 W CA 1.947 59.366 57.345 0.123 0.000 1.274 238 W CB -0.180 29.324 29.460 0.074 0.000 1.148 238 W HN 0.307 nan 8.180 nan 0.000 0.498 239 Q N 0.028 119.898 119.800 0.117 0.000 2.124 239 Q HA -0.265 4.074 4.340 -0.000 0.000 0.202 239 Q C 2.198 178.161 176.000 -0.062 0.000 0.977 239 Q CA 1.863 57.665 55.803 -0.003 0.000 0.850 239 Q CB -0.492 28.446 28.738 0.334 0.000 0.901 239 Q HN 0.380 nan 8.270 nan 0.000 0.429 240 K N 0.800 121.193 120.400 -0.012 0.000 2.097 240 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 240 K C 2.309 178.848 176.600 -0.102 0.000 1.050 240 K CA 1.441 57.694 56.287 -0.056 0.000 0.938 240 K CB -0.020 32.472 32.500 -0.013 0.000 0.718 240 K HN 0.192 nan 8.250 nan 0.000 0.442 241 S N 0.155 115.767 115.700 -0.147 0.000 2.382 241 S HA -0.184 4.286 4.470 -0.000 0.000 0.228 241 S C 1.897 176.327 174.600 -0.282 0.000 1.027 241 S CA 0.852 58.940 58.200 -0.187 0.000 0.991 241 S CB -0.674 62.437 63.200 -0.149 0.000 0.823 241 S HN 0.443 nan 8.310 nan 0.000 0.469 242 F N 2.137 121.692 119.950 -0.658 0.000 2.134 242 F HA -0.001 4.525 4.527 -0.000 0.000 0.299 242 F C 2.344 177.961 175.800 -0.306 0.000 1.097 242 F CA 1.524 59.161 58.000 -0.606 0.000 1.264 242 F CB -0.285 38.196 39.000 -0.866 0.000 1.001 242 F HN 0.091 nan 8.300 nan 0.000 0.479 243 M N 0.650 120.213 119.600 -0.061 0.000 2.108 243 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 243 M C 2.554 178.771 176.300 -0.139 0.000 1.066 243 M CA 1.685 56.935 55.300 -0.082 0.000 1.107 243 M CB -2.099 30.468 32.600 -0.056 0.000 1.356 243 M HN 0.337 nan 8.290 nan 0.000 0.406 244 A N 0.195 122.935 122.820 -0.133 0.000 1.883 244 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 244 A C 2.462 179.973 177.584 -0.122 0.000 1.186 244 A CA 2.377 54.351 52.037 -0.106 0.000 0.624 244 A CB -1.028 17.922 19.000 -0.084 0.000 0.822 244 A HN 0.487 nan 8.150 nan 0.000 0.444 245 A N -0.631 122.073 122.820 -0.195 0.000 1.908 245 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 245 A C 2.265 179.731 177.584 -0.198 0.000 1.181 245 A CA 1.969 53.877 52.037 -0.214 0.000 0.627 245 A CB -0.972 17.840 19.000 -0.313 0.000 0.818 245 A HN 0.407 nan 8.150 nan 0.000 0.445 246 V N 0.824 120.567 119.914 -0.285 0.000 2.270 246 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 246 V C 2.261 178.331 176.094 -0.040 0.000 1.043 246 V CA 2.198 64.389 62.300 -0.182 0.000 1.014 246 V CB -1.022 30.656 31.823 -0.242 0.000 0.645 246 V HN 0.558 nan 8.190 nan 0.000 0.447 247 N N 0.934 119.604 118.700 -0.050 0.000 2.223 247 N HA -0.117 4.623 4.740 -0.000 0.000 0.185 247 N C 1.456 176.976 175.510 0.017 0.000 1.016 247 N CA 1.136 54.183 53.050 -0.004 0.000 0.863 247 N CB -0.563 37.920 38.487 -0.006 0.000 0.983 247 N HN 0.445 nan 8.380 nan 0.000 0.429 248 N N -0.479 118.228 118.700 0.011 0.000 2.521 248 N HA -0.066 4.674 4.740 -0.000 0.000 0.188 248 N C 0.822 176.389 175.510 0.095 0.000 1.146 248 N CA 0.225 53.295 53.050 0.034 0.000 0.893 248 N CB 0.119 38.614 38.487 0.013 0.000 0.975 248 N HN 0.378 nan 8.380 nan 0.000 0.451 249 Y N 0.718 120.984 120.300 -0.057 0.000 2.763 249 Y HA 0.340 4.890 4.550 -0.000 0.000 0.230 249 Y C -0.322 175.560 175.900 -0.030 0.000 1.030 249 Y CA 0.538 58.608 58.100 -0.049 0.000 1.462 249 Y CB 0.493 38.910 38.460 -0.073 0.000 1.299 249 Y HN -0.321 nan 8.280 nan 0.000 0.491 250 K N 2.010 122.328 120.400 -0.136 0.000 2.675 250 K HA 0.325 4.645 4.320 -0.000 0.000 0.224 250 K C -2.908 173.678 176.600 -0.023 0.000 1.003 250 K CA -2.231 53.946 56.287 -0.184 0.000 1.034 250 K CB 1.657 33.980 32.500 -0.296 0.000 1.218 250 K HN 0.035 nan 8.250 nan 0.000 0.507 251 P HA 0.024 nan 4.420 nan 0.000 0.268 251 P C -0.627 176.724 177.300 0.085 0.000 1.204 251 P CA -0.423 62.704 63.100 0.045 0.000 0.768 251 P CB 0.948 32.689 31.700 0.067 0.000 0.842 252 V N 0.619 120.598 119.914 0.108 0.000 2.971 252 V HA 0.505 4.625 4.120 -0.000 0.000 0.309 252 V C -0.638 175.578 176.094 0.202 0.000 1.130 252 V CA -1.384 61.026 62.300 0.183 0.000 0.964 252 V CB 1.725 33.649 31.823 0.170 0.000 1.029 252 V HN 0.311 nan 8.190 nan 0.000 0.427 253 F N 3.012 123.040 119.950 0.130 0.000 2.590 253 F HA 0.519 5.046 4.527 -0.000 0.000 0.389 253 F C 0.469 176.275 175.800 0.011 0.000 1.049 253 F CA 1.094 59.139 58.000 0.076 0.000 1.199 253 F CB 0.135 39.132 39.000 -0.004 0.000 1.058 253 F HN 0.791 nan 8.300 nan 0.000 0.556 254 T N 8.280 122.486 114.554 -0.580 0.000 2.848 254 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 254 T C -1.118 173.318 174.700 -0.440 0.000 0.995 254 T CA -0.311 61.542 62.100 -0.411 0.000 0.970 254 T CB 0.901 69.671 68.868 -0.164 0.000 0.976 254 T HN 0.392 nan 8.240 nan 0.000 0.441 255 F N -0.137 119.528 119.950 -0.474 0.000 2.565 255 F HA 0.913 5.440 4.527 -0.000 0.000 0.313 255 F C 0.014 175.751 175.800 -0.106 0.000 1.091 255 F CA -1.431 56.383 58.000 -0.309 0.000 0.915 255 F CB 1.086 39.888 39.000 -0.329 0.000 1.208 255 F HN 0.691 nan 8.300 nan 0.000 0.453 256 G N 0.765 109.643 108.800 0.131 0.000 2.511 256 G HA2 0.506 4.466 3.960 -0.000 0.000 0.318 256 G HA3 0.506 4.466 3.960 -0.000 0.000 0.318 256 G C -1.883 173.178 174.900 0.269 0.000 1.210 256 G CA -0.964 44.224 45.100 0.146 0.000 0.969 256 G HN 0.946 nan 8.290 nan 0.000 0.484 257 E N 0.279 120.634 120.200 0.258 0.000 2.115 257 E HA 0.308 4.658 4.350 -0.000 0.000 0.282 257 E C -1.304 175.511 176.600 0.358 0.000 0.987 257 E CA -0.937 55.701 56.400 0.397 0.000 0.797 257 E CB 0.923 30.869 29.700 0.410 0.000 1.086 257 E HN 0.437 nan 8.360 nan 0.000 0.397 258 W N 8.264 129.687 121.300 0.205 0.000 2.563 258 W HA 0.270 4.930 4.660 -0.000 0.000 0.301 258 W C -1.873 174.623 176.519 -0.039 0.000 1.006 258 W CA -1.690 55.681 57.345 0.043 0.000 1.382 258 W CB 0.306 29.748 29.460 -0.029 0.000 1.262 258 W HN 0.536 nan 8.180 nan 0.000 0.403 259 F N 5.888 125.753 119.950 -0.143 0.000 2.578 259 F HA 0.282 4.809 4.527 -0.000 0.000 0.376 259 F C -0.419 175.251 175.800 -0.217 0.000 1.085 259 F CA 0.802 58.400 58.000 -0.671 0.000 1.260 259 F CB 0.599 39.263 39.000 -0.560 0.000 1.095 259 F HN 0.160 nan 8.300 nan 0.000 0.573 260 L N 5.931 126.569 121.223 -0.975 0.000 2.365 260 L HA 0.558 4.898 4.340 -0.000 0.000 0.273 260 L C 0.528 177.013 176.870 -0.641 0.000 1.000 260 L CA -0.888 53.717 54.840 -0.392 0.000 0.819 260 L CB 1.701 43.728 42.059 -0.052 0.000 1.284 260 L HN 0.752 nan 8.230 nan 0.000 0.418 261 G N 1.294 109.986 108.800 -0.179 0.000 2.557 261 G HA2 0.442 4.402 3.960 -0.000 0.000 0.292 261 G HA3 0.442 4.402 3.960 -0.000 0.000 0.292 261 G C -0.324 174.571 174.900 -0.008 0.000 1.237 261 G CA -0.565 44.517 45.100 -0.030 0.000 0.978 261 G HN 0.283 nan 8.290 nan 0.000 0.498 262 V N 1.938 121.875 119.914 0.038 0.000 2.557 262 V HA -0.008 4.112 4.120 -0.000 0.000 0.301 262 V C 0.927 177.040 176.094 0.031 0.000 1.026 262 V CA 0.572 62.894 62.300 0.036 0.000 1.137 262 V CB 0.593 32.442 31.823 0.042 0.000 0.917 262 V HN 0.934 nan 8.190 nan 0.000 0.484 263 N N 1.972 120.688 118.700 0.027 0.000 2.828 263 N HA -0.180 4.560 4.740 -0.000 0.000 0.248 263 N C 0.369 175.899 175.510 0.033 0.000 1.044 263 N CA 1.478 54.544 53.050 0.027 0.000 0.851 263 N CB -0.513 37.987 38.487 0.022 0.000 1.136 263 N HN 0.947 nan 8.380 nan 0.000 0.572 264 E N 0.678 120.899 120.200 0.036 0.000 2.227 264 E HA 0.426 4.776 4.350 -0.000 0.000 0.282 264 E C -0.801 175.824 176.600 0.041 0.000 1.015 264 E CA -0.407 56.017 56.400 0.039 0.000 0.823 264 E CB 1.059 30.786 29.700 0.045 0.000 1.081 264 E HN -0.006 nan 8.360 nan 0.000 0.396 265 V N 3.815 123.745 119.914 0.026 0.000 2.447 265 V HA 0.235 4.355 4.120 -0.000 0.000 0.292 265 V C -0.536 175.502 176.094 -0.094 0.000 1.021 265 V CA -0.674 61.628 62.300 0.003 0.000 0.850 265 V CB 1.555 33.406 31.823 0.046 0.000 1.005 265 V HN 0.603 nan 8.190 nan 0.000 0.426 266 S N 6.054 121.613 115.700 -0.236 0.000 2.473 266 S HA 0.621 5.091 4.470 -0.000 0.000 0.307 266 S C -1.885 172.299 174.600 -0.693 0.000 1.094 266 S CA -1.580 56.440 58.200 -0.299 0.000 1.070 266 S CB 2.229 65.351 63.200 -0.130 0.000 1.019 266 S HN 0.486 nan 8.310 nan 0.000 0.480 267 P HA 0.056 nan 4.420 nan 0.000 0.220 267 P C 0.978 178.156 177.300 -0.204 0.000 1.152 267 P CA 0.695 63.594 63.100 -0.335 0.000 0.812 267 P CB 0.232 31.876 31.700 -0.092 0.000 0.792 268 E N -0.317 119.816 120.200 -0.113 0.000 2.047 268 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 268 E C 1.992 178.384 176.600 -0.346 0.000 0.987 268 E CA 1.128 57.536 56.400 0.012 0.000 0.799 268 E CB -0.464 29.424 29.700 0.314 0.000 0.752 268 E HN 0.213 nan 8.360 nan 0.000 0.449 269 N N -0.111 118.129 118.700 -0.765 0.000 2.069 269 N HA -0.212 4.528 4.740 -0.000 0.000 0.191 269 N C 1.678 176.949 175.510 -0.398 0.000 1.031 269 N CA 1.674 54.010 53.050 -1.190 0.000 0.852 269 N CB -0.055 37.800 38.487 -1.053 0.000 1.018 269 N HN 0.272 nan 8.380 nan 0.000 0.423 270 H N -0.525 118.363 119.070 -0.304 0.000 2.321 270 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 270 H C 2.046 177.301 175.328 -0.123 0.000 1.087 270 H CA 1.118 57.000 56.048 -0.277 0.000 1.319 270 H CB 0.002 29.542 29.762 -0.370 0.000 1.379 270 H HN 0.203 nan 8.280 nan 0.000 0.501 271 K N 0.519 120.937 120.400 0.031 0.000 2.057 271 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 271 K C 1.998 178.630 176.600 0.053 0.000 1.049 271 K CA 1.219 57.535 56.287 0.049 0.000 0.931 271 K CB -0.137 32.410 32.500 0.078 0.000 0.714 271 K HN 0.142 nan 8.250 nan 0.000 0.440 272 F N 1.070 120.940 119.950 -0.133 0.000 2.102 272 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 272 F C 2.007 177.776 175.800 -0.052 0.000 1.105 272 F CA 1.664 59.575 58.000 -0.148 0.000 1.239 272 F CB -0.371 38.452 39.000 -0.294 0.000 0.991 272 F HN 0.040 nan 8.300 nan 0.000 0.474 273 A N 0.125 123.030 122.820 0.142 0.000 1.972 273 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 273 A C 1.894 179.508 177.584 0.051 0.000 1.169 273 A CA 1.904 54.025 52.037 0.141 0.000 0.635 273 A CB -0.776 18.430 19.000 0.343 0.000 0.810 273 A HN 0.513 nan 8.150 nan 0.000 0.446 274 N N -0.394 118.330 118.700 0.041 0.000 2.416 274 N HA -0.015 4.725 4.740 -0.000 0.000 0.177 274 N C 1.074 176.558 175.510 -0.044 0.000 1.036 274 N CA 1.281 54.338 53.050 0.012 0.000 0.901 274 N CB 0.032 38.529 38.487 0.017 0.000 0.976 274 N HN 0.724 nan 8.380 nan 0.000 0.444 275 E N -1.172 118.972 120.200 -0.092 0.000 2.571 275 E HA 0.105 4.455 4.350 -0.000 0.000 0.222 275 E C 1.148 177.638 176.600 -0.184 0.000 0.904 275 E CA 0.054 56.390 56.400 -0.107 0.000 1.157 275 E CB 0.359 30.029 29.700 -0.050 0.000 1.158 275 E HN 0.190 nan 8.360 nan 0.000 0.540 276 S N 0.202 115.686 115.700 -0.361 0.000 2.428 276 S HA 0.076 4.546 4.470 -0.000 0.000 0.230 276 S C 1.796 176.206 174.600 -0.316 0.000 1.014 276 S CA 0.904 58.812 58.200 -0.487 0.000 0.957 276 S CB 0.143 62.588 63.200 -1.259 0.000 0.784 276 S HN 0.370 nan 8.310 nan 0.000 0.499 277 G N 1.089 109.740 108.800 -0.248 0.000 2.201 277 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.212 277 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.212 277 G C -0.061 174.755 174.900 -0.139 0.000 0.994 277 G CA 0.048 45.050 45.100 -0.164 0.000 0.644 277 G HN 0.860 nan 8.290 nan 0.000 0.508 278 M N 0.034 119.526 119.600 -0.179 0.000 2.690 278 M HA 0.851 5.331 4.480 -0.000 0.000 0.302 278 M C 0.303 176.563 176.300 -0.067 0.000 1.234 278 M CA -0.339 54.891 55.300 -0.116 0.000 0.853 278 M CB 1.988 34.562 32.600 -0.044 0.000 1.748 278 M HN 0.526 nan 8.290 nan 0.000 0.469 279 S N 0.993 116.664 115.700 -0.047 0.000 2.718 279 S HA 0.918 5.388 4.470 -0.000 0.000 0.292 279 S C -0.466 174.209 174.600 0.125 0.000 1.125 279 S CA -0.824 57.390 58.200 0.023 0.000 1.013 279 S CB 1.201 64.401 63.200 0.000 0.000 1.192 279 S HN 0.749 nan 8.310 nan 0.000 0.535 280 L N -0.568 120.722 121.223 0.111 0.000 2.341 280 L HA 0.500 4.840 4.340 -0.000 0.000 0.254 280 L C -0.988 175.996 176.870 0.192 0.000 1.040 280 L CA -1.062 53.908 54.840 0.217 0.000 0.837 280 L CB 1.416 43.622 42.059 0.245 0.000 1.425 280 L HN 0.560 nan 8.230 nan 0.000 0.414 281 L N 1.472 122.893 121.223 0.331 0.000 2.477 281 L HA 0.052 4.392 4.340 -0.000 0.000 0.272 281 L C 0.139 177.198 176.870 0.316 0.000 1.157 281 L CA 0.070 55.114 54.840 0.341 0.000 0.889 281 L CB 0.122 42.403 42.059 0.371 0.000 1.158 281 L HN 0.517 nan 8.230 nan 0.000 0.473 282 D N 3.468 123.970 120.400 0.169 0.000 2.671 282 D HA -0.025 4.614 4.640 -0.000 0.000 0.228 282 D C 1.051 177.337 176.300 -0.024 0.000 1.102 282 D CA 0.139 54.156 54.000 0.028 0.000 1.044 282 D CB 0.091 40.816 40.800 -0.125 0.000 1.113 282 D HN 0.309 nan 8.370 nan 0.000 0.480 283 F N 0.801 120.833 119.950 0.136 0.000 2.202 283 F HA -0.122 4.405 4.527 -0.000 0.000 0.301 283 F C 2.541 178.333 175.800 -0.013 0.000 1.082 283 F CA 0.874 58.907 58.000 0.055 0.000 1.313 283 F CB -0.045 38.964 39.000 0.014 0.000 1.024 283 F HN 0.251 nan 8.300 nan 0.000 0.495 284 R N -0.488 120.140 120.500 0.213 0.000 2.075 284 R HA -0.187 4.152 4.340 -0.000 0.000 0.232 284 R C 2.303 178.681 176.300 0.131 0.000 1.126 284 R CA 1.468 57.669 56.100 0.169 0.000 0.963 284 R CB -0.624 29.817 30.300 0.234 0.000 0.858 284 R HN 0.287 nan 8.270 nan 0.000 0.435 285 F N 1.110 121.034 119.950 -0.045 0.000 2.051 285 F HA -0.150 4.377 4.527 -0.000 0.000 0.296 285 F C 2.189 177.911 175.800 -0.129 0.000 1.122 285 F CA 1.749 59.709 58.000 -0.068 0.000 1.201 285 F CB -0.719 38.210 39.000 -0.119 0.000 0.978 285 F HN 0.128 nan 8.300 nan 0.000 0.472 286 A N 0.487 123.286 122.820 -0.035 0.000 1.881 286 A HA -0.324 3.996 4.320 -0.000 0.000 0.219 286 A C 2.150 179.695 177.584 -0.065 0.000 1.215 286 A CA 2.270 54.160 52.037 -0.245 0.000 0.648 286 A CB -1.203 17.288 19.000 -0.849 0.000 0.832 286 A HN 0.600 nan 8.150 nan 0.000 0.455 287 Q N -0.784 119.009 119.800 -0.012 0.000 2.112 287 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 287 Q C 2.094 178.095 176.000 0.003 0.000 0.987 287 Q CA 2.073 57.895 55.803 0.033 0.000 0.858 287 Q CB -0.436 28.329 28.738 0.045 0.000 0.905 287 Q HN 0.660 nan 8.270 nan 0.000 0.420 288 K N 0.620 120.997 120.400 -0.038 0.000 2.097 288 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 288 K C 1.957 178.488 176.600 -0.115 0.000 1.050 288 K CA 0.646 56.884 56.287 -0.081 0.000 0.938 288 K CB -0.271 32.169 32.500 -0.100 0.000 0.718 288 K HN -0.001 nan 8.250 nan 0.000 0.442 289 V N 0.772 120.609 119.914 -0.127 0.000 2.427 289 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 289 V C 2.274 178.488 176.094 0.200 0.000 1.051 289 V CA 1.771 64.063 62.300 -0.013 0.000 1.048 289 V CB -0.367 31.422 31.823 -0.057 0.000 0.666 289 V HN 0.298 nan 8.190 nan 0.000 0.456 290 R N -0.441 120.159 120.500 0.166 0.000 2.070 290 R HA -0.171 4.168 4.340 -0.000 0.000 0.233 290 R C 2.448 178.781 176.300 0.055 0.000 1.137 290 R CA 1.690 57.895 56.100 0.176 0.000 0.945 290 R CB -0.391 29.984 30.300 0.124 0.000 0.845 290 R HN 0.572 nan 8.270 nan 0.000 0.430 291 Q N 0.024 119.828 119.800 0.007 0.000 2.077 291 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 291 Q C 2.220 178.178 176.000 -0.070 0.000 0.989 291 Q CA 1.935 57.718 55.803 -0.033 0.000 0.853 291 Q CB -0.134 28.578 28.738 -0.043 0.000 0.907 291 Q HN 0.207 nan 8.270 nan 0.000 0.418 292 V N -0.391 119.450 119.914 -0.122 0.000 2.283 292 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 292 V C 1.701 177.633 176.094 -0.270 0.000 1.039 292 V CA 1.746 63.879 62.300 -0.278 0.000 1.016 292 V CB -0.437 31.084 31.823 -0.504 0.000 0.650 292 V HN 0.248 nan 8.190 nan 0.000 0.449 293 F N -0.850 119.090 119.950 -0.018 0.000 2.698 293 F HA 0.219 4.746 4.527 -0.000 0.000 0.295 293 F C 2.339 178.196 175.800 0.096 0.000 1.124 293 F CA 0.711 58.758 58.000 0.077 0.000 1.426 293 F CB -0.019 39.079 39.000 0.163 0.000 1.120 293 F HN -0.076 nan 8.300 nan 0.000 0.583 294 R N 0.200 120.772 120.500 0.120 0.000 2.107 294 R HA 0.038 4.378 4.340 -0.000 0.000 0.195 294 R C 1.099 177.316 176.300 -0.138 0.000 1.214 294 R CA 0.739 56.721 56.100 -0.196 0.000 1.129 294 R CB -0.071 29.837 30.300 -0.654 0.000 1.045 294 R HN -0.001 nan 8.270 nan 0.000 0.489 295 D N 0.906 121.241 120.400 -0.108 0.000 2.355 295 D HA 0.004 4.644 4.640 -0.000 0.000 0.218 295 D C -0.348 175.920 176.300 -0.054 0.000 1.004 295 D CA 0.380 54.333 54.000 -0.079 0.000 0.880 295 D CB -0.131 40.630 40.800 -0.065 0.000 0.911 295 D HN 0.319 nan 8.370 nan 0.000 0.528 296 N N -0.266 118.403 118.700 -0.051 0.000 2.721 296 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 296 N C 0.303 175.785 175.510 -0.047 0.000 1.072 296 N CA 1.105 54.124 53.050 -0.052 0.000 0.710 296 N CB -1.790 36.674 38.487 -0.039 0.000 0.993 296 N HN 0.262 nan 8.380 nan 0.000 0.547 297 T N -4.710 109.817 114.554 -0.046 0.000 3.163 297 T HA 0.258 4.608 4.350 -0.000 0.000 0.252 297 T C 0.034 174.711 174.700 -0.037 0.000 1.056 297 T CA -0.047 62.032 62.100 -0.035 0.000 0.947 297 T CB 0.600 69.453 68.868 -0.025 0.000 1.016 297 T HN 0.276 nan 8.240 nan 0.000 0.554 298 D N 0.731 121.098 120.400 -0.055 0.000 2.671 298 D HA 0.351 4.991 4.640 -0.000 0.000 0.273 298 D C -1.440 174.809 176.300 -0.084 0.000 1.264 298 D CA -0.554 53.413 54.000 -0.055 0.000 0.788 298 D CB 1.622 42.389 40.800 -0.055 0.000 1.324 298 D HN 0.298 nan 8.370 nan 0.000 0.424 299 N N -0.185 118.478 118.700 -0.061 0.000 3.002 299 N HA 0.286 5.026 4.740 -0.000 0.000 0.331 299 N C 1.051 176.474 175.510 -0.144 0.000 1.384 299 N CA -0.512 52.482 53.050 -0.093 0.000 0.780 299 N CB 0.171 38.661 38.487 0.004 0.000 1.492 299 N HN 0.205 nan 8.380 nan 0.000 0.608 300 M N -0.869 118.601 119.600 -0.216 0.000 2.144 300 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 300 M C 1.305 177.433 176.300 -0.286 0.000 1.067 300 M CA 1.721 56.834 55.300 -0.312 0.000 1.095 300 M CB -1.439 30.948 32.600 -0.355 0.000 1.365 300 M HN 0.532 nan 8.290 nan 0.000 0.406 301 Y N 0.058 120.315 120.300 -0.071 0.000 2.274 301 Y HA -0.080 4.470 4.550 -0.000 0.000 0.290 301 Y C 2.666 178.533 175.900 -0.055 0.000 1.145 301 Y CA 1.442 59.511 58.100 -0.052 0.000 1.203 301 Y CB -1.259 37.173 38.460 -0.047 0.000 0.984 301 Y HN 0.316 nan 8.280 nan 0.000 0.533 302 G N -0.612 108.217 108.800 0.048 0.000 2.403 302 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 302 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 302 G C 1.594 176.463 174.900 -0.053 0.000 1.154 302 G CA 0.644 45.742 45.100 -0.004 0.000 0.784 302 G HN 0.280 nan 8.290 nan 0.000 0.538 303 L N 0.888 122.039 121.223 -0.120 0.000 2.046 303 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 303 L C 2.738 179.569 176.870 -0.065 0.000 1.077 303 L CA 2.264 57.015 54.840 -0.149 0.000 0.747 303 L CB -0.478 41.425 42.059 -0.259 0.000 0.896 303 L HN 0.298 nan 8.230 nan 0.000 0.432 304 K N -0.806 119.565 120.400 -0.050 0.000 2.057 304 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 304 K C 1.953 178.568 176.600 0.025 0.000 1.049 304 K CA 1.445 57.731 56.287 -0.002 0.000 0.931 304 K CB -0.217 32.282 32.500 -0.001 0.000 0.714 304 K HN 0.353 nan 8.250 nan 0.000 0.440 305 A N 1.642 124.480 122.820 0.030 0.000 1.898 305 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 305 A C 2.167 179.771 177.584 0.034 0.000 1.181 305 A CA 1.543 53.602 52.037 0.036 0.000 0.620 305 A CB -0.592 18.431 19.000 0.038 0.000 0.819 305 A HN 0.522 nan 8.150 nan 0.000 0.442 306 M N 0.000 119.615 119.600 0.024 0.000 2.159 306 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 306 M C 1.865 178.207 176.300 0.071 0.000 1.063 306 M CA 1.663 56.989 55.300 0.044 0.000 1.110 306 M CB -0.915 31.698 32.600 0.021 0.000 1.374 306 M HN 0.418 nan 8.290 nan 0.000 0.411 307 L N 0.459 121.717 121.223 0.059 0.000 1.994 307 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 307 L C 2.525 179.437 176.870 0.070 0.000 1.071 307 L CA 1.600 56.486 54.840 0.077 0.000 0.745 307 L CB -0.933 41.159 42.059 0.054 0.000 0.892 307 L HN 0.333 nan 8.230 nan 0.000 0.431 308 E N 0.170 120.402 120.200 0.054 0.000 2.152 308 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 308 E C 2.217 178.838 176.600 0.035 0.000 0.983 308 E CA 1.275 57.703 56.400 0.046 0.000 0.818 308 E CB -0.361 29.364 29.700 0.041 0.000 0.758 308 E HN 0.551 nan 8.360 nan 0.000 0.467 309 G N 2.254 111.074 108.800 0.033 0.000 2.394 309 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.214 309 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.214 309 G C 1.880 176.772 174.900 -0.014 0.000 1.176 309 G CA 1.298 46.403 45.100 0.008 0.000 0.786 309 G HN 0.398 nan 8.290 nan 0.000 0.533 310 S N 1.544 117.274 115.700 0.050 0.000 2.383 310 S HA 0.007 4.477 4.470 -0.000 0.000 0.229 310 S C 2.592 177.264 174.600 0.121 0.000 1.030 310 S CA 1.582 59.854 58.200 0.120 0.000 1.002 310 S CB -0.592 62.767 63.200 0.264 0.000 0.829 310 S HN 0.612 nan 8.310 nan 0.000 0.467 311 A N 1.820 124.691 122.820 0.085 0.000 1.978 311 A HA 0.251 4.571 4.320 -0.000 0.000 0.220 311 A C 2.439 180.036 177.584 0.021 0.000 1.170 311 A CA 1.803 53.880 52.037 0.068 0.000 0.636 311 A CB -1.214 17.822 19.000 0.059 0.000 0.810 311 A HN 0.874 nan 8.150 nan 0.000 0.448 312 A N -0.562 122.245 122.820 -0.022 0.000 1.943 312 A HA 0.010 4.330 4.320 -0.000 0.000 0.213 312 A C 1.675 179.173 177.584 -0.143 0.000 1.181 312 A CA 1.293 53.294 52.037 -0.060 0.000 0.653 312 A CB -0.207 18.763 19.000 -0.049 0.000 0.833 312 A HN 0.417 nan 8.150 nan 0.000 0.451 313 D N -1.144 119.088 120.400 -0.280 0.000 2.183 313 D HA -0.011 4.629 4.640 -0.000 0.000 0.203 313 D C -0.365 175.562 176.300 -0.622 0.000 0.969 313 D CA 0.889 54.526 54.000 -0.605 0.000 0.842 313 D CB -0.146 39.892 40.800 -1.271 0.000 0.957 313 D HN 0.497 nan 8.370 nan 0.000 0.484 314 Y N 0.184 120.365 120.300 -0.198 0.000 2.341 314 Y HA 0.431 4.981 4.550 -0.000 0.000 0.340 314 Y C 1.254 177.111 175.900 -0.072 0.000 0.997 314 Y CA -0.773 57.260 58.100 -0.113 0.000 1.149 314 Y CB 1.615 40.035 38.460 -0.067 0.000 1.171 314 Y HN -0.180 nan 8.280 nan 0.000 0.494 315 A N 2.730 125.597 122.820 0.078 0.000 1.940 315 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 315 A C 0.771 178.364 177.584 0.015 0.000 1.176 315 A CA 1.339 53.386 52.037 0.016 0.000 0.631 315 A CB -0.245 18.755 19.000 0.001 0.000 0.814 315 A HN 0.798 nan 8.150 nan 0.000 0.446 316 Q N -1.129 118.722 119.800 0.084 0.000 2.907 316 Q HA 0.412 4.752 4.340 -0.000 0.000 0.262 316 Q C 0.463 176.526 176.000 0.104 0.000 0.997 316 Q CA -0.127 55.728 55.803 0.087 0.000 0.797 316 Q CB 1.216 30.025 28.738 0.119 0.000 1.228 316 Q HN 0.142 nan 8.270 nan 0.000 0.466 317 V N 1.454 121.428 119.914 0.101 0.000 2.392 317 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 317 V C 0.963 177.069 176.094 0.021 0.000 1.059 317 V CA 2.239 64.572 62.300 0.055 0.000 1.051 317 V CB 0.124 32.003 31.823 0.093 0.000 0.658 317 V HN 0.746 nan 8.190 nan 0.000 0.455 318 D N -0.380 120.078 120.400 0.096 0.000 2.392 318 D HA -0.107 4.533 4.640 -0.000 0.000 0.228 318 D C 0.837 177.221 176.300 0.141 0.000 1.003 318 D CA 0.815 54.883 54.000 0.112 0.000 0.917 318 D CB 0.008 40.936 40.800 0.213 0.000 0.890 318 D HN 0.527 nan 8.370 nan 0.000 0.532 319 D N 0.194 120.689 120.400 0.159 0.000 2.398 319 D HA 0.007 4.647 4.640 -0.000 0.000 0.210 319 D C 0.444 176.814 176.300 0.117 0.000 1.094 319 D CA 0.143 54.294 54.000 0.251 0.000 0.839 319 D CB 0.510 41.514 40.800 0.339 0.000 0.963 319 D HN 0.033 nan 8.370 nan 0.000 0.506 320 Q N 0.746 120.515 119.800 -0.052 0.000 2.304 320 Q HA 0.212 4.552 4.340 -0.000 0.000 0.260 320 Q C -0.048 175.862 176.000 -0.151 0.000 0.965 320 Q CA -0.243 55.465 55.803 -0.157 0.000 0.898 320 Q CB 1.816 30.352 28.738 -0.338 0.000 1.196 320 Q HN -0.100 nan 8.270 nan 0.000 0.402 321 V N 3.566 123.400 119.914 -0.134 0.000 2.389 321 V HA 0.205 4.325 4.120 -0.000 0.000 0.264 321 V C 0.708 176.776 176.094 -0.043 0.000 1.049 321 V CA -0.441 61.760 62.300 -0.164 0.000 0.932 321 V CB 0.466 32.064 31.823 -0.375 0.000 1.011 321 V HN 0.867 nan 8.190 nan 0.000 0.475 322 T N 2.794 117.235 114.554 -0.188 0.000 2.902 322 T HA 0.870 5.220 4.350 -0.000 0.000 0.280 322 T C -0.593 174.149 174.700 0.069 0.000 0.992 322 T CA -0.466 61.424 62.100 -0.351 0.000 1.015 322 T CB 1.639 69.924 68.868 -0.972 0.000 1.044 322 T HN 0.782 nan 8.240 nan 0.000 0.520 323 F N -1.186 118.717 119.950 -0.078 0.000 2.878 323 F HA 0.461 4.988 4.527 -0.000 0.000 0.322 323 F C 0.041 175.913 175.800 0.121 0.000 1.154 323 F CA -1.244 56.768 58.000 0.021 0.000 0.896 323 F CB 0.527 39.533 39.000 0.010 0.000 1.313 323 F HN 0.606 nan 8.300 nan 0.000 0.451 324 I N -1.295 119.433 120.570 0.264 0.000 4.139 324 I HA 0.414 4.584 4.170 -0.000 0.000 0.320 324 I C -0.804 175.529 176.117 0.360 0.000 1.290 324 I CA 0.347 61.762 61.300 0.191 0.000 1.253 324 I CB 0.563 38.548 38.000 -0.025 0.000 1.122 324 I HN 0.697 nan 8.210 nan 0.000 0.421 325 D N 0.988 121.653 120.400 0.442 0.000 2.671 325 D HA 0.415 5.055 4.640 -0.000 0.000 0.273 325 D C -1.119 175.191 176.300 0.016 0.000 1.264 325 D CA -0.603 53.579 54.000 0.303 0.000 0.788 325 D CB 0.864 41.806 40.800 0.237 0.000 1.324 325 D HN 0.349 nan 8.370 nan 0.000 0.424 326 N N -2.624 115.853 118.700 -0.373 0.000 3.339 326 N HA 0.119 4.859 4.740 -0.000 0.000 0.275 326 N C 0.561 175.483 175.510 -0.980 0.000 1.514 326 N CA -0.561 51.927 53.050 -0.937 0.000 0.879 326 N CB -0.148 37.937 38.487 -0.670 0.000 1.557 326 N HN 0.569 nan 8.380 nan 0.000 0.524 327 H N -1.905 116.698 119.070 -0.778 0.000 2.566 327 H HA 0.072 4.628 4.556 -0.000 0.000 0.285 327 H C -0.741 174.563 175.328 -0.041 0.000 1.041 327 H CA 0.913 56.826 56.048 -0.226 0.000 1.207 327 H CB -0.298 29.589 29.762 0.209 0.000 1.353 327 H HN 0.506 nan 8.280 nan 0.000 0.604 328 D N 0.274 120.368 120.400 -0.510 0.000 2.501 328 D HA 0.275 4.915 4.640 -0.000 0.000 0.224 328 D C 0.302 176.606 176.300 0.007 0.000 1.202 328 D CA 0.049 53.929 54.000 -0.200 0.000 0.829 328 D CB 0.618 41.333 40.800 -0.141 0.000 1.023 328 D HN 0.381 nan 8.370 nan 0.000 0.499 329 M N -0.205 119.397 119.600 0.003 0.000 2.683 329 M HA 0.302 4.782 4.480 -0.000 0.000 0.274 329 M C -0.631 175.705 176.300 0.059 0.000 1.272 329 M CA -0.949 54.407 55.300 0.094 0.000 0.833 329 M CB 2.386 35.096 32.600 0.183 0.000 1.708 329 M HN -0.273 nan 8.290 nan 0.000 0.463 330 E N 1.111 121.355 120.200 0.075 0.000 2.374 330 E HA 0.339 4.689 4.350 -0.000 0.000 0.260 330 E C -0.849 175.813 176.600 0.103 0.000 1.101 330 E CA -0.722 55.717 56.400 0.066 0.000 0.907 330 E CB 0.520 30.244 29.700 0.040 0.000 1.014 330 E HN 0.386 nan 8.360 nan 0.000 0.427 331 R N 0.984 121.555 120.500 0.119 0.000 2.623 331 R HA -0.036 4.304 4.340 -0.000 0.000 0.271 331 R C 0.674 177.106 176.300 0.221 0.000 1.043 331 R CA -0.116 56.097 56.100 0.189 0.000 1.083 331 R CB 0.129 30.537 30.300 0.180 0.000 0.974 331 R HN 0.621 nan 8.270 nan 0.000 0.436 332 F N 2.161 122.192 119.950 0.136 0.000 2.095 332 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 332 F C 1.263 177.156 175.800 0.156 0.000 1.104 332 F CA 1.550 59.633 58.000 0.137 0.000 1.232 332 F CB -0.309 38.779 39.000 0.146 0.000 0.987 332 F HN 0.541 nan 8.300 nan 0.000 0.475 333 H N 0.703 120.011 119.070 0.398 0.000 2.899 333 H HA 0.467 5.023 4.556 -0.000 0.000 0.303 333 H C -0.506 174.899 175.328 0.130 0.000 1.042 333 H CA -0.386 55.833 56.048 0.285 0.000 1.479 333 H CB 0.403 30.357 29.762 0.319 0.000 1.493 333 H HN 0.268 nan 8.280 nan 0.000 0.534 334 A N 4.098 126.589 122.820 -0.549 0.000 2.305 334 A HA 0.312 4.632 4.320 -0.000 0.000 0.322 334 A C 1.552 178.790 177.584 -0.578 0.000 1.187 334 A CA 0.025 51.810 52.037 -0.419 0.000 0.825 334 A CB 0.878 19.735 19.000 -0.237 0.000 1.164 334 A HN 0.919 nan 8.150 nan 0.000 0.498 335 S N 1.396 116.934 115.700 -0.270 0.000 2.461 335 S HA -0.257 4.213 4.470 -0.000 0.000 0.266 335 S C 1.457 176.012 174.600 -0.075 0.000 1.138 335 S CA 2.422 60.547 58.200 -0.125 0.000 1.146 335 S CB -0.414 62.754 63.200 -0.053 0.000 1.042 335 S HN 0.941 nan 8.310 nan 0.000 0.448 336 N N -0.329 118.312 118.700 -0.099 0.000 2.282 336 N HA 0.398 5.138 4.740 -0.000 0.000 0.240 336 N C -0.312 175.173 175.510 -0.042 0.000 1.182 336 N CA 0.234 53.258 53.050 -0.044 0.000 0.874 336 N CB 0.503 38.963 38.487 -0.044 0.000 1.126 336 N HN 0.345 nan 8.380 nan 0.000 0.516 337 A N 0.762 123.532 122.820 -0.084 0.000 2.281 337 A HA 0.362 4.682 4.320 -0.000 0.000 0.329 337 A C 0.058 177.728 177.584 0.144 0.000 1.122 337 A CA -0.685 51.349 52.037 -0.005 0.000 0.850 337 A CB 0.778 19.735 19.000 -0.072 0.000 1.207 337 A HN 0.222 nan 8.150 nan 0.000 0.495 338 N N 0.197 118.974 118.700 0.128 0.000 2.468 338 N HA 0.014 4.754 4.740 -0.000 0.000 0.265 338 N C 0.985 176.626 175.510 0.218 0.000 1.199 338 N CA 0.215 53.347 53.050 0.137 0.000 0.928 338 N CB 0.511 39.057 38.487 0.099 0.000 1.059 338 N HN 0.621 nan 8.380 nan 0.000 0.467 339 R N 2.324 122.908 120.500 0.141 0.000 2.152 339 R HA -0.119 4.220 4.340 -0.000 0.000 0.232 339 R C 1.556 177.965 176.300 0.182 0.000 1.117 339 R CA 0.871 57.028 56.100 0.096 0.000 0.981 339 R CB -0.004 30.162 30.300 -0.224 0.000 0.870 339 R HN 0.480 nan 8.270 nan 0.000 0.451 340 R N 1.680 122.264 120.500 0.141 0.000 2.159 340 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 340 R C 1.454 177.859 176.300 0.175 0.000 1.131 340 R CA 1.528 57.711 56.100 0.137 0.000 0.982 340 R CB -0.029 30.335 30.300 0.107 0.000 0.868 340 R HN 0.116 nan 8.270 nan 0.000 0.453 341 K N 0.028 120.581 120.400 0.255 0.000 2.031 341 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 341 K C 2.095 178.900 176.600 0.341 0.000 1.049 341 K CA 1.452 57.951 56.287 0.353 0.000 0.939 341 K CB -0.471 32.300 32.500 0.453 0.000 0.717 341 K HN 0.282 nan 8.250 nan 0.000 0.438 342 L N 1.971 123.438 121.223 0.406 0.000 2.083 342 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 342 L C 2.068 178.875 176.870 -0.106 0.000 1.083 342 L CA 1.534 56.416 54.840 0.071 0.000 0.752 342 L CB -0.120 42.121 42.059 0.303 0.000 0.899 342 L HN 0.154 nan 8.230 nan 0.000 0.433 343 E N -0.530 119.691 120.200 0.034 0.000 2.051 343 E HA -0.273 4.076 4.350 -0.000 0.000 0.192 343 E C 2.211 178.758 176.600 -0.087 0.000 0.991 343 E CA 1.507 57.901 56.400 -0.011 0.000 0.799 343 E CB -0.218 29.523 29.700 0.069 0.000 0.748 343 E HN 0.624 nan 8.360 nan 0.000 0.449 344 Q N 0.311 120.059 119.800 -0.087 0.000 2.050 344 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 344 Q C 2.336 178.053 176.000 -0.472 0.000 0.980 344 Q CA 1.380 57.075 55.803 -0.181 0.000 0.840 344 Q CB -0.224 28.476 28.738 -0.062 0.000 0.898 344 Q HN 0.281 nan 8.270 nan 0.000 0.424 345 A N 0.668 123.097 122.820 -0.652 0.000 1.972 345 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 345 A C 2.018 179.407 177.584 -0.325 0.000 1.169 345 A CA 0.938 52.537 52.037 -0.729 0.000 0.635 345 A CB -0.535 18.015 19.000 -0.750 0.000 0.810 345 A HN 0.284 nan 8.150 nan 0.000 0.446 346 L N -1.026 120.034 121.223 -0.271 0.000 2.027 346 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 346 L C 3.151 179.970 176.870 -0.086 0.000 1.074 346 L CA 1.092 55.840 54.840 -0.155 0.000 0.745 346 L CB -0.592 41.382 42.059 -0.142 0.000 0.898 346 L HN 0.451 nan 8.230 nan 0.000 0.433 347 A N -0.171 122.599 122.820 -0.083 0.000 1.908 347 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 347 A C 2.141 179.744 177.584 0.032 0.000 1.181 347 A CA 1.789 53.803 52.037 -0.040 0.000 0.627 347 A CB -0.890 18.086 19.000 -0.040 0.000 0.818 347 A HN 0.415 nan 8.150 nan 0.000 0.445 348 F N 1.352 121.246 119.950 -0.094 0.000 2.051 348 F HA -0.171 4.356 4.527 -0.000 0.000 0.296 348 F C 2.552 178.426 175.800 0.122 0.000 1.122 348 F CA 2.441 60.461 58.000 0.033 0.000 1.201 348 F CB -0.832 38.075 39.000 -0.155 0.000 0.978 348 F HN 0.218 nan 8.300 nan 0.000 0.472 349 T N 1.883 116.493 114.554 0.094 0.000 2.684 349 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 349 T C 2.159 176.790 174.700 -0.116 0.000 1.036 349 T CA 1.898 64.028 62.100 0.050 0.000 1.148 349 T CB -0.671 68.266 68.868 0.114 0.000 0.863 349 T HN 0.261 nan 8.240 nan 0.000 0.436 350 L N 1.255 122.426 121.223 -0.087 0.000 2.127 350 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 350 L C 2.666 179.464 176.870 -0.119 0.000 1.089 350 L CA 1.570 56.346 54.840 -0.106 0.000 0.757 350 L CB -1.064 40.938 42.059 -0.094 0.000 0.899 350 L HN 0.447 nan 8.230 nan 0.000 0.434 351 T N -5.453 109.040 114.554 -0.101 0.000 3.105 351 T HA 0.182 4.532 4.350 -0.000 0.000 0.253 351 T C 0.727 175.414 174.700 -0.021 0.000 1.047 351 T CA -0.290 61.773 62.100 -0.063 0.000 0.944 351 T CB 0.335 69.181 68.868 -0.038 0.000 1.016 351 T HN -0.007 nan 8.240 nan 0.000 0.544 352 S N 2.099 117.706 115.700 -0.156 0.000 2.713 352 S HA 0.566 5.036 4.470 -0.000 0.000 0.283 352 S C 0.308 174.801 174.600 -0.178 0.000 1.161 352 S CA -1.030 57.045 58.200 -0.208 0.000 0.999 352 S CB 0.905 63.871 63.200 -0.390 0.000 1.039 352 S HN 0.606 nan 8.310 nan 0.000 0.548 353 R N 0.979 121.400 120.500 -0.132 0.000 2.623 353 R HA 0.482 4.822 4.340 -0.000 0.000 0.271 353 R C 0.449 176.631 176.300 -0.197 0.000 1.043 353 R CA 0.785 56.817 56.100 -0.112 0.000 1.083 353 R CB -1.118 29.164 30.300 -0.029 0.000 0.974 353 R HN 0.887 nan 8.270 nan 0.000 0.436 354 G N 0.731 109.435 108.800 -0.160 0.000 2.342 354 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.220 354 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.220 354 G C -1.576 173.207 174.900 -0.195 0.000 1.243 354 G CA -0.357 44.632 45.100 -0.185 0.000 1.083 354 G HN 0.659 nan 8.290 nan 0.000 0.500 355 V N 2.515 122.306 119.914 -0.205 0.000 2.325 355 V HA 0.524 4.643 4.120 -0.000 0.000 0.280 355 V C -2.112 173.872 176.094 -0.183 0.000 1.016 355 V CA -1.118 61.066 62.300 -0.194 0.000 0.818 355 V CB 1.649 33.352 31.823 -0.201 0.000 1.019 355 V HN 0.643 nan 8.190 nan 0.000 0.434 356 P HA 0.396 nan 4.420 nan 0.000 0.276 356 P C -0.616 176.686 177.300 0.003 0.000 1.230 356 P CA 0.074 63.112 63.100 -0.103 0.000 0.776 356 P CB 1.364 33.000 31.700 -0.107 0.000 0.888 357 A N 4.552 127.428 122.820 0.094 0.000 2.343 357 A HA 0.687 5.007 4.320 -0.000 0.000 0.316 357 A C -0.437 177.258 177.584 0.186 0.000 1.104 357 A CA -0.828 51.328 52.037 0.198 0.000 0.768 357 A CB 0.685 19.882 19.000 0.327 0.000 1.213 357 A HN 0.458 nan 8.150 nan 0.000 0.456 358 I N 2.425 123.083 120.570 0.146 0.000 2.362 358 I HA 0.190 4.359 4.170 -0.000 0.000 0.289 358 I C -0.921 175.184 176.117 -0.021 0.000 0.994 358 I CA -0.668 60.686 61.300 0.089 0.000 1.158 358 I CB 1.409 39.474 38.000 0.108 0.000 1.315 358 I HN 0.728 nan 8.210 nan 0.000 0.451 359 Y N 8.375 128.585 120.300 -0.150 0.000 2.402 359 Y HA 0.092 4.642 4.550 -0.000 0.000 0.333 359 Y C 0.096 175.771 175.900 -0.374 0.000 1.076 359 Y CA -0.940 57.017 58.100 -0.240 0.000 1.299 359 Y CB 0.139 38.513 38.460 -0.143 0.000 1.197 359 Y HN 0.440 nan 8.280 nan 0.000 0.517 360 Y N 4.168 123.965 120.300 -0.838 0.000 2.895 360 Y HA 0.289 4.839 4.550 -0.000 0.000 0.334 360 Y C 1.035 176.761 175.900 -0.291 0.000 1.261 360 Y CA -0.109 57.584 58.100 -0.679 0.000 1.560 360 Y CB -0.050 38.140 38.460 -0.451 0.000 1.253 360 Y HN 0.927 nan 8.280 nan 0.000 0.582 361 G N 2.416 111.198 108.800 -0.030 0.000 2.175 361 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.244 361 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.244 361 G C 0.758 175.599 174.900 -0.099 0.000 0.982 361 G CA 0.365 45.422 45.100 -0.073 0.000 0.641 361 G HN 0.825 nan 8.290 nan 0.000 0.527 362 T N 1.540 116.033 114.554 -0.101 0.000 2.708 362 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 362 T C 2.221 176.820 174.700 -0.168 0.000 1.037 362 T CA 1.846 63.897 62.100 -0.081 0.000 1.146 362 T CB -0.250 68.593 68.868 -0.040 0.000 0.865 362 T HN 0.739 nan 8.240 nan 0.000 0.435 363 E N 1.402 121.556 120.200 -0.077 0.000 2.331 363 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 363 E C 1.285 177.763 176.600 -0.204 0.000 1.008 363 E CA 1.003 57.325 56.400 -0.131 0.000 0.843 363 E CB -0.237 29.521 29.700 0.098 0.000 0.761 363 E HN 0.439 nan 8.360 nan 0.000 0.507 364 Q N -0.242 119.506 119.800 -0.086 0.000 2.247 364 Q HA 0.057 4.397 4.340 -0.000 0.000 0.204 364 Q C -0.387 175.656 176.000 0.072 0.000 0.872 364 Q CA -0.324 55.491 55.803 0.020 0.000 0.951 364 Q CB -0.292 28.495 28.738 0.081 0.000 1.099 364 Q HN 0.370 nan 8.270 nan 0.000 0.501 365 Y N -1.165 119.134 120.300 -0.002 0.000 3.589 365 Y HA -0.279 4.271 4.550 -0.000 0.000 0.218 365 Y C 0.346 176.284 175.900 0.063 0.000 1.234 365 Y CA 0.145 58.205 58.100 -0.067 0.000 1.576 365 Y CB -2.656 35.662 38.460 -0.238 0.000 1.487 365 Y HN 0.210 nan 8.280 nan 0.000 0.616 366 M N 0.040 119.721 119.600 0.135 0.000 2.249 366 M HA 0.191 4.671 4.480 -0.000 0.000 0.340 366 M C 0.754 177.166 176.300 0.187 0.000 1.166 366 M CA 0.924 56.294 55.300 0.117 0.000 1.115 366 M CB 0.510 33.105 32.600 -0.008 0.000 1.606 366 M HN 0.265 nan 8.290 nan 0.000 0.448 367 S N 0.524 116.317 115.700 0.155 0.000 2.621 367 S HA 0.932 5.402 4.470 -0.000 0.000 0.302 367 S C -0.186 174.455 174.600 0.068 0.000 1.093 367 S CA -0.612 57.662 58.200 0.123 0.000 1.017 367 S CB 2.104 65.357 63.200 0.088 0.000 1.077 367 S HN 0.937 nan 8.310 nan 0.000 0.517 368 G N 0.055 108.886 108.800 0.052 0.000 2.378 368 G HA2 0.461 4.421 3.960 -0.000 0.000 0.302 368 G HA3 0.461 4.421 3.960 -0.000 0.000 0.302 368 G C -0.283 174.640 174.900 0.037 0.000 1.669 368 G CA -0.287 44.836 45.100 0.038 0.000 0.920 368 G HN 0.903 nan 8.290 nan 0.000 0.697 369 G N -0.321 108.493 108.800 0.023 0.000 2.546 369 G HA2 0.710 4.670 3.960 -0.000 0.000 0.239 369 G HA3 0.710 4.670 3.960 -0.000 0.000 0.239 369 G C 0.982 175.897 174.900 0.026 0.000 1.476 369 G CA 0.730 45.842 45.100 0.020 0.000 1.064 369 G HN 1.696 nan 8.290 nan 0.000 0.561 370 T N -1.760 112.804 114.554 0.017 0.000 2.766 370 T HA 0.270 4.620 4.350 -0.000 0.000 0.295 370 T C 0.249 174.961 174.700 0.021 0.000 1.024 370 T CA 0.069 62.178 62.100 0.015 0.000 1.018 370 T CB 0.962 69.829 68.868 -0.001 0.000 1.002 370 T HN 0.516 nan 8.240 nan 0.000 0.532 371 D N 1.753 122.168 120.400 0.024 0.000 2.648 371 D HA 0.027 4.667 4.640 -0.000 0.000 0.229 371 D C -0.978 175.352 176.300 0.049 0.000 1.119 371 D CA -1.459 52.571 54.000 0.049 0.000 0.850 371 D CB 0.637 41.472 40.800 0.059 0.000 1.169 371 D HN 0.376 nan 8.370 nan 0.000 0.489 372 P HA 0.025 nan 4.420 nan 0.000 0.245 372 P C 0.425 177.744 177.300 0.033 0.000 1.206 372 P CA 0.064 63.208 63.100 0.073 0.000 0.781 372 P CB 0.376 32.117 31.700 0.068 0.000 0.994 373 D N 1.434 121.850 120.400 0.026 0.000 2.228 373 D HA -0.142 4.498 4.640 -0.000 0.000 0.203 373 D C 1.050 177.365 176.300 0.025 0.000 0.988 373 D CA 1.109 55.121 54.000 0.019 0.000 0.864 373 D CB -0.427 40.383 40.800 0.017 0.000 0.928 373 D HN 0.386 nan 8.370 nan 0.000 0.469 374 N N -0.101 118.623 118.700 0.040 0.000 2.314 374 N HA 0.003 4.743 4.740 -0.000 0.000 0.200 374 N C 0.335 175.886 175.510 0.069 0.000 1.135 374 N CA 0.025 53.121 53.050 0.076 0.000 0.835 374 N CB 0.085 38.631 38.487 0.099 0.000 0.989 374 N HN -0.017 nan 8.380 nan 0.000 0.478 375 R N -0.012 120.490 120.500 0.004 0.000 2.748 375 R HA 0.454 4.794 4.340 -0.000 0.000 0.395 375 R C -0.143 176.162 176.300 0.008 0.000 1.128 375 R CA -0.243 55.823 56.100 -0.056 0.000 1.042 375 R CB 0.730 30.913 30.300 -0.195 0.000 1.392 375 R HN 0.208 nan 8.270 nan 0.000 0.582 376 A N 0.781 123.624 122.820 0.038 0.000 2.296 376 A HA 0.325 4.645 4.320 -0.000 0.000 0.264 376 A C -0.117 177.542 177.584 0.125 0.000 1.097 376 A CA -0.426 51.634 52.037 0.039 0.000 0.811 376 A CB 0.318 19.327 19.000 0.015 0.000 1.072 376 A HN 0.399 nan 8.150 nan 0.000 0.495 377 R N 0.601 121.140 120.500 0.064 0.000 2.389 377 R HA 0.281 4.621 4.340 -0.000 0.000 0.295 377 R C -0.148 176.192 176.300 0.067 0.000 1.075 377 R CA -0.304 55.839 56.100 0.072 0.000 1.005 377 R CB 0.149 30.449 30.300 0.001 0.000 0.987 377 R HN 0.694 nan 8.270 nan 0.000 0.452 378 I N 7.726 128.370 120.570 0.122 0.000 2.662 378 I HA 0.043 4.213 4.170 -0.000 0.000 0.285 378 I C -1.573 174.412 176.117 -0.220 0.000 1.161 378 I CA -1.444 59.866 61.300 0.016 0.000 1.415 378 I CB 1.126 39.188 38.000 0.104 0.000 1.385 378 I HN 0.693 nan 8.210 nan 0.000 0.552 379 P HA 0.058 nan 4.420 nan 0.000 0.249 379 P C -0.316 176.800 177.300 -0.307 0.000 1.229 379 P CA 0.325 63.305 63.100 -0.201 0.000 0.788 379 P CB 0.151 31.793 31.700 -0.097 0.000 1.072 380 S N -0.819 114.589 115.700 -0.487 0.000 2.586 380 S HA 0.479 4.949 4.470 -0.000 0.000 0.277 380 S C -1.651 172.533 174.600 -0.694 0.000 1.131 380 S CA -0.672 57.225 58.200 -0.505 0.000 0.848 380 S CB -0.098 62.987 63.200 -0.192 0.000 1.091 380 S HN -0.208 nan 8.310 nan 0.000 0.453 381 F N 2.201 122.017 119.950 -0.223 0.000 2.831 381 F HA 0.483 5.010 4.527 -0.000 0.000 0.355 381 F C 0.910 176.665 175.800 -0.075 0.000 1.341 381 F CA -0.541 57.215 58.000 -0.406 0.000 1.201 381 F CB 0.908 39.535 39.000 -0.621 0.000 1.058 381 F HN 0.558 nan 8.300 nan 0.000 0.514 382 S N 0.303 116.079 115.700 0.126 0.000 2.513 382 S HA 0.277 4.746 4.470 -0.000 0.000 0.276 382 S C 1.183 175.737 174.600 -0.076 0.000 1.254 382 S CA -0.089 58.138 58.200 0.046 0.000 1.053 382 S CB 0.685 63.898 63.200 0.022 0.000 0.958 382 S HN 0.486 nan 8.310 nan 0.000 0.491 383 T N 1.529 115.893 114.554 -0.317 0.000 3.163 383 T HA 0.198 4.548 4.350 -0.000 0.000 0.252 383 T C 1.068 175.496 174.700 -0.453 0.000 1.056 383 T CA -0.068 61.436 62.100 -0.994 0.000 0.947 383 T CB -0.023 68.335 68.868 -0.849 0.000 1.016 383 T HN 0.390 nan 8.240 nan 0.000 0.554 384 S N 1.904 117.506 115.700 -0.164 0.000 2.575 384 S HA 0.132 4.602 4.470 -0.000 0.000 0.215 384 S C 1.238 175.872 174.600 0.055 0.000 0.966 384 S CA 0.172 58.354 58.200 -0.030 0.000 0.911 384 S CB -0.062 63.131 63.200 -0.011 0.000 0.780 384 S HN 0.896 nan 8.310 nan 0.000 0.514 385 T N -0.229 114.386 114.554 0.102 0.000 2.868 385 T HA 0.153 4.503 4.350 -0.000 0.000 0.292 385 T C 1.375 176.200 174.700 0.208 0.000 1.028 385 T CA -0.120 62.104 62.100 0.206 0.000 1.059 385 T CB 0.849 69.890 68.868 0.289 0.000 0.991 385 T HN -0.004 nan 8.240 nan 0.000 0.531 386 T N 2.018 116.719 114.554 0.245 0.000 2.746 386 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 386 T C 2.394 177.180 174.700 0.144 0.000 1.039 386 T CA 1.481 63.694 62.100 0.189 0.000 1.142 386 T CB -0.856 68.129 68.868 0.195 0.000 0.866 386 T HN 0.823 nan 8.240 nan 0.000 0.444 387 A N 0.581 123.465 122.820 0.105 0.000 1.883 387 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 387 A C 2.087 179.657 177.584 -0.022 0.000 1.186 387 A CA 1.702 53.691 52.037 -0.080 0.000 0.624 387 A CB -1.147 17.591 19.000 -0.438 0.000 0.822 387 A HN 0.586 nan 8.150 nan 0.000 0.444 388 Y N 0.656 120.911 120.300 -0.075 0.000 2.165 388 Y HA -0.283 4.267 4.550 -0.000 0.000 0.286 388 Y C 2.526 178.394 175.900 -0.053 0.000 1.155 388 Y CA 2.459 60.524 58.100 -0.060 0.000 1.164 388 Y CB -0.309 38.136 38.460 -0.025 0.000 0.978 388 Y HN 0.463 nan 8.280 nan 0.000 0.513 389 Q N -1.191 118.715 119.800 0.178 0.000 2.230 389 Q HA -0.120 4.219 4.340 -0.000 0.000 0.202 389 Q C 2.304 178.297 176.000 -0.011 0.000 0.963 389 Q CA 1.334 57.191 55.803 0.092 0.000 0.866 389 Q CB -0.107 28.696 28.738 0.107 0.000 0.931 389 Q HN 0.372 nan 8.270 nan 0.000 0.452 390 V N 1.073 120.973 119.914 -0.023 0.000 2.261 390 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 390 V C 2.107 178.141 176.094 -0.099 0.000 1.047 390 V CA 1.677 63.944 62.300 -0.054 0.000 1.015 390 V CB -0.389 31.404 31.823 -0.049 0.000 0.642 390 V HN 0.351 nan 8.190 nan 0.000 0.446 391 I N -0.147 120.340 120.570 -0.137 0.000 2.208 391 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 391 I C 2.663 178.659 176.117 -0.203 0.000 1.097 391 I CA 2.028 63.223 61.300 -0.176 0.000 1.363 391 I CB -0.437 37.426 38.000 -0.229 0.000 1.051 391 I HN 0.420 nan 8.210 nan 0.000 0.413 392 Q N 1.077 120.730 119.800 -0.245 0.000 2.181 392 Q HA -0.222 4.118 4.340 -0.000 0.000 0.205 392 Q C 1.955 177.877 176.000 -0.129 0.000 0.980 392 Q CA 1.389 57.061 55.803 -0.218 0.000 0.862 392 Q CB 0.164 28.784 28.738 -0.197 0.000 0.905 392 Q HN 0.362 nan 8.270 nan 0.000 0.429 393 K N -0.206 120.133 120.400 -0.101 0.000 2.314 393 K HA 0.071 4.391 4.320 -0.000 0.000 0.198 393 K C 1.882 178.427 176.600 -0.091 0.000 1.045 393 K CA 0.409 56.648 56.287 -0.080 0.000 0.988 393 K CB 0.403 32.865 32.500 -0.064 0.000 0.783 393 K HN 0.312 nan 8.250 nan 0.000 0.484 394 L N -0.432 120.728 121.223 -0.105 0.000 2.388 394 L HA 0.144 4.484 4.340 -0.000 0.000 0.209 394 L C 2.412 179.213 176.870 -0.115 0.000 1.061 394 L CA 0.413 55.188 54.840 -0.107 0.000 0.834 394 L CB -0.452 41.543 42.059 -0.105 0.000 1.029 394 L HN -0.063 nan 8.230 nan 0.000 0.473 395 A N 1.596 124.341 122.820 -0.124 0.000 1.884 395 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 395 A C -0.149 177.358 177.584 -0.129 0.000 1.197 395 A CA 2.194 54.154 52.037 -0.128 0.000 0.637 395 A CB -2.042 16.877 19.000 -0.136 0.000 0.827 395 A HN 0.273 nan 8.150 nan 0.000 0.450 396 P HA -0.160 nan 4.420 nan 0.000 0.217 396 P C 1.276 178.506 177.300 -0.117 0.000 1.148 396 P CA 1.027 64.058 63.100 -0.114 0.000 0.828 396 P CB -0.314 31.327 31.700 -0.098 0.000 0.783 397 L N -1.186 119.969 121.223 -0.113 0.000 2.265 397 L HA -0.110 4.230 4.340 -0.000 0.000 0.215 397 L C 2.589 179.373 176.870 -0.143 0.000 1.117 397 L CA 1.191 55.963 54.840 -0.113 0.000 0.782 397 L CB -0.792 41.206 42.059 -0.101 0.000 0.914 397 L HN -0.059 nan 8.230 nan 0.000 0.441 398 R N 0.175 120.576 120.500 -0.165 0.000 2.148 398 R HA -0.085 4.254 4.340 -0.000 0.000 0.227 398 R C 2.081 178.235 176.300 -0.244 0.000 1.103 398 R CA 0.788 56.757 56.100 -0.218 0.000 0.983 398 R CB -0.021 30.145 30.300 -0.223 0.000 0.874 398 R HN 0.360 nan 8.270 nan 0.000 0.451 399 K N -0.112 120.172 120.400 -0.193 0.000 2.211 399 K HA -0.006 4.314 4.320 -0.000 0.000 0.201 399 K C 2.085 178.595 176.600 -0.149 0.000 1.052 399 K CA 1.058 57.236 56.287 -0.181 0.000 0.973 399 K CB 0.289 32.698 32.500 -0.151 0.000 0.766 399 K HN 0.337 nan 8.250 nan 0.000 0.466 400 C N 0.054 119.277 119.300 -0.129 0.000 2.926 400 C HA 0.296 4.755 4.460 -0.000 0.000 0.272 400 C C 0.588 175.523 174.990 -0.091 0.000 1.249 400 C CA -0.683 58.275 59.018 -0.100 0.000 1.691 400 C CB -0.806 26.885 27.740 -0.083 0.000 1.983 400 C HN 0.122 nan 8.230 nan 0.000 0.615 401 N N 1.574 120.209 118.700 -0.108 0.000 2.573 401 N HA 0.361 5.101 4.740 -0.000 0.000 0.262 401 N C -2.194 173.243 175.510 -0.121 0.000 1.029 401 N CA -1.778 51.222 53.050 -0.083 0.000 0.882 401 N CB 1.788 40.236 38.487 -0.064 0.000 1.204 401 N HN 0.020 nan 8.380 nan 0.000 0.519 402 P HA -0.055 nan 4.420 nan 0.000 0.220 402 P C 1.007 178.233 177.300 -0.123 0.000 1.148 402 P CA 0.791 63.794 63.100 -0.162 0.000 0.803 402 P CB 0.302 32.018 31.700 0.026 0.000 0.782 403 A N -0.388 122.464 122.820 0.053 0.000 1.908 403 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 403 A C 2.216 179.801 177.584 0.003 0.000 1.181 403 A CA 1.611 53.715 52.037 0.112 0.000 0.627 403 A CB -1.598 17.471 19.000 0.115 0.000 0.818 403 A HN 0.162 nan 8.150 nan 0.000 0.445 404 I N -0.765 119.755 120.570 -0.082 0.000 2.286 404 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 404 I C 2.931 178.915 176.117 -0.222 0.000 1.104 404 I CA 0.942 62.169 61.300 -0.123 0.000 1.397 404 I CB -0.226 37.698 38.000 -0.126 0.000 1.072 404 I HN 0.342 nan 8.210 nan 0.000 0.417 405 A N 0.154 122.738 122.820 -0.393 0.000 1.855 405 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 405 A C 1.635 178.853 177.584 -0.610 0.000 1.191 405 A CA 1.680 53.327 52.037 -0.650 0.000 0.613 405 A CB -0.622 17.712 19.000 -1.109 0.000 0.829 405 A HN 0.491 nan 8.150 nan 0.000 0.442 406 Y N -0.668 119.455 120.300 -0.294 0.000 2.500 406 Y HA 0.393 4.943 4.550 -0.000 0.000 0.246 406 Y C 1.473 177.345 175.900 -0.048 0.000 1.146 406 Y CA -0.854 57.086 58.100 -0.267 0.000 1.230 406 Y CB -0.561 37.454 38.460 -0.742 0.000 1.214 406 Y HN 0.263 nan 8.280 nan 0.000 0.526 407 G N 0.667 109.549 108.800 0.138 0.000 2.599 407 G HA2 0.365 4.325 3.960 -0.000 0.000 0.264 407 G HA3 0.365 4.325 3.960 -0.000 0.000 0.264 407 G C 0.236 175.251 174.900 0.192 0.000 1.200 407 G CA -0.225 45.029 45.100 0.257 0.000 0.896 407 G HN 0.236 nan 8.290 nan 0.000 0.536 408 S N -1.043 114.772 115.700 0.193 0.000 2.617 408 S HA 0.550 5.019 4.470 -0.000 0.000 0.259 408 S C 0.035 174.717 174.600 0.136 0.000 1.301 408 S CA -0.330 57.957 58.200 0.145 0.000 0.984 408 S CB 1.283 64.558 63.200 0.125 0.000 0.954 408 S HN 0.567 nan 8.310 nan 0.000 0.572 409 T N 1.457 116.083 114.554 0.120 0.000 2.824 409 T HA 0.541 4.891 4.350 -0.000 0.000 0.282 409 T C -0.954 173.827 174.700 0.135 0.000 0.993 409 T CA -0.529 61.653 62.100 0.136 0.000 0.967 409 T CB 1.333 70.259 68.868 0.096 0.000 0.960 409 T HN 0.673 nan 8.240 nan 0.000 0.441 410 Q N 2.046 121.951 119.800 0.176 0.000 2.263 410 Q HA 0.216 4.556 4.340 -0.000 0.000 0.266 410 Q C -1.064 175.052 176.000 0.194 0.000 1.002 410 Q CA -0.632 55.264 55.803 0.156 0.000 0.790 410 Q CB 1.705 30.521 28.738 0.130 0.000 1.272 410 Q HN 0.624 nan 8.270 nan 0.000 0.435 411 E N 3.768 124.067 120.200 0.164 0.000 2.366 411 E HA 0.012 4.362 4.350 -0.000 0.000 0.266 411 E C -0.217 176.487 176.600 0.174 0.000 1.015 411 E CA 0.419 56.927 56.400 0.180 0.000 0.906 411 E CB 0.580 30.352 29.700 0.121 0.000 0.979 411 E HN 0.683 nan 8.360 nan 0.000 0.443 412 R N 3.490 124.124 120.500 0.223 0.000 2.446 412 R HA 0.176 4.515 4.340 -0.000 0.000 0.254 412 R C -0.055 176.436 176.300 0.319 0.000 0.918 412 R CA -0.244 55.990 56.100 0.224 0.000 1.069 412 R CB 0.787 31.209 30.300 0.203 0.000 1.194 412 R HN 0.491 nan 8.270 nan 0.000 0.534 413 W N 0.720 122.072 121.300 0.086 0.000 3.645 413 W HA 0.586 5.245 4.660 -0.000 0.000 0.285 413 W C -1.795 174.743 176.519 0.031 0.000 1.266 413 W CA -0.635 56.747 57.345 0.061 0.000 1.212 413 W CB 1.359 30.862 29.460 0.072 0.000 1.306 413 W HN -0.125 nan 8.180 nan 0.000 0.552 414 I N 5.088 125.617 120.570 -0.068 0.000 2.897 414 I HA 0.427 4.597 4.170 -0.000 0.000 0.299 414 I C -1.638 174.328 176.117 -0.251 0.000 1.527 414 I CA -0.529 60.744 61.300 -0.044 0.000 0.979 414 I CB 1.862 39.760 38.000 -0.170 0.000 1.360 414 I HN 0.694 nan 8.210 nan 0.000 0.495 415 N N 2.805 121.403 118.700 -0.170 0.000 3.522 415 N HA 0.308 5.048 4.740 -0.000 0.000 0.328 415 N C -0.651 174.742 175.510 -0.194 0.000 1.623 415 N CA -0.583 52.418 53.050 -0.083 0.000 0.812 415 N CB 0.299 38.834 38.487 0.080 0.000 2.008 415 N HN 0.585 nan 8.380 nan 0.000 0.601 416 N N -1.136 117.600 118.700 0.061 0.000 2.188 416 N HA -0.059 4.681 4.740 -0.000 0.000 0.184 416 N C -0.313 175.164 175.510 -0.055 0.000 1.018 416 N CA 1.164 54.246 53.050 0.053 0.000 0.858 416 N CB -0.014 38.530 38.487 0.095 0.000 0.989 416 N HN 0.472 nan 8.380 nan 0.000 0.426 417 D N -0.296 120.090 120.400 -0.024 0.000 2.454 417 D HA 0.120 4.760 4.640 -0.000 0.000 0.214 417 D C -0.110 176.180 176.300 -0.016 0.000 1.088 417 D CA 0.254 54.233 54.000 -0.035 0.000 0.855 417 D CB 1.146 41.952 40.800 0.011 0.000 1.025 417 D HN -0.071 nan 8.370 nan 0.000 0.502 418 V N 1.578 121.515 119.914 0.039 0.000 2.667 418 V HA 0.514 4.634 4.120 -0.000 0.000 0.308 418 V C -0.643 175.522 176.094 0.117 0.000 1.048 418 V CA -0.850 61.516 62.300 0.110 0.000 0.928 418 V CB 2.629 34.581 31.823 0.215 0.000 1.004 418 V HN -0.064 nan 8.190 nan 0.000 0.444 419 L N 5.255 126.581 121.223 0.171 0.000 2.516 419 L HA 0.641 4.981 4.340 -0.000 0.000 0.267 419 L C -1.202 175.867 176.870 0.333 0.000 0.957 419 L CA 0.091 55.066 54.840 0.226 0.000 0.860 419 L CB 1.654 43.814 42.059 0.168 0.000 1.265 419 L HN 0.565 nan 8.230 nan 0.000 0.403 420 I N 5.936 126.720 120.570 0.357 0.000 2.410 420 I HA 0.397 4.567 4.170 -0.000 0.000 0.286 420 I C -1.153 175.179 176.117 0.359 0.000 1.009 420 I CA -0.783 60.708 61.300 0.318 0.000 1.111 420 I CB 1.289 39.471 38.000 0.304 0.000 1.262 420 I HN 0.618 nan 8.210 nan 0.000 0.443 421 Y N 2.968 123.378 120.300 0.184 0.000 2.524 421 Y HA 0.733 5.283 4.550 -0.000 0.000 0.344 421 Y C -0.697 175.278 175.900 0.125 0.000 1.012 421 Y CA -1.398 56.793 58.100 0.151 0.000 1.068 421 Y CB 1.186 39.735 38.460 0.148 0.000 1.249 421 Y HN 0.494 nan 8.280 nan 0.000 0.468 422 E N 2.627 122.968 120.200 0.234 0.000 2.187 422 E HA 0.469 4.819 4.350 -0.000 0.000 0.268 422 E C -1.096 175.609 176.600 0.175 0.000 0.896 422 E CA -1.126 55.357 56.400 0.137 0.000 0.766 422 E CB 0.975 30.747 29.700 0.119 0.000 1.142 422 E HN 0.627 nan 8.360 nan 0.000 0.408 423 R N 3.309 123.888 120.500 0.132 0.000 2.589 423 R HA 0.507 4.847 4.340 -0.000 0.000 0.293 423 R C -0.725 175.652 176.300 0.127 0.000 0.963 423 R CA -0.711 55.473 56.100 0.139 0.000 0.905 423 R CB 1.633 32.002 30.300 0.115 0.000 1.144 423 R HN 0.445 nan 8.270 nan 0.000 0.459 424 K N 1.867 122.360 120.400 0.155 0.000 2.535 424 K HA 0.425 4.745 4.320 -0.000 0.000 0.251 424 K C -1.914 174.836 176.600 0.250 0.000 0.942 424 K CA -0.551 55.836 56.287 0.167 0.000 0.798 424 K CB 1.592 34.167 32.500 0.125 0.000 1.267 424 K HN 0.465 nan 8.250 nan 0.000 0.434 425 F N 3.970 123.967 119.950 0.077 0.000 2.831 425 F HA 0.439 4.966 4.527 -0.000 0.000 0.346 425 F C 0.316 176.154 175.800 0.063 0.000 1.224 425 F CA 0.646 58.695 58.000 0.083 0.000 1.048 425 F CB 1.173 40.247 39.000 0.122 0.000 1.339 425 F HN 0.804 nan 8.300 nan 0.000 0.514 426 G N 3.420 112.037 108.800 -0.306 0.000 2.574 426 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.286 426 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.286 426 G C 0.355 175.242 174.900 -0.020 0.000 1.212 426 G CA 0.110 45.069 45.100 -0.235 0.000 0.979 426 G HN 0.999 nan 8.290 nan 0.000 0.557 427 S N 2.445 118.160 115.700 0.025 0.000 2.767 427 S HA 0.310 4.780 4.470 -0.000 0.000 0.253 427 S C 0.253 174.940 174.600 0.145 0.000 1.082 427 S CA -0.047 58.218 58.200 0.109 0.000 1.148 427 S CB -0.450 62.813 63.200 0.106 0.000 0.808 427 S HN 0.553 nan 8.310 nan 0.000 0.466 428 N N 1.087 119.877 118.700 0.150 0.000 2.258 428 N HA 0.544 5.284 4.740 -0.000 0.000 0.299 428 N C -1.272 174.345 175.510 0.178 0.000 1.047 428 N CA -0.368 52.774 53.050 0.153 0.000 0.814 428 N CB 2.453 41.018 38.487 0.131 0.000 1.413 428 N HN -0.040 nan 8.380 nan 0.000 0.478 429 V N 0.164 120.188 119.914 0.184 0.000 2.925 429 V HA 0.852 4.972 4.120 -0.000 0.000 0.311 429 V C -0.737 175.415 176.094 0.097 0.000 1.104 429 V CA -0.876 61.508 62.300 0.140 0.000 0.954 429 V CB 1.881 33.785 31.823 0.135 0.000 1.022 429 V HN 0.845 nan 8.190 nan 0.000 0.427 430 A N 2.781 125.635 122.820 0.056 0.000 2.422 430 A HA 0.911 5.231 4.320 -0.000 0.000 0.302 430 A C -1.366 176.205 177.584 -0.021 0.000 1.041 430 A CA -0.574 51.469 52.037 0.009 0.000 0.708 430 A CB 2.005 20.990 19.000 -0.025 0.000 1.257 430 A HN 0.798 nan 8.150 nan 0.000 0.414 431 V N 2.486 122.384 119.914 -0.027 0.000 2.487 431 V HA 0.562 4.682 4.120 -0.000 0.000 0.298 431 V C -0.519 175.472 176.094 -0.173 0.000 1.028 431 V CA -0.551 61.738 62.300 -0.019 0.000 0.860 431 V CB 1.546 33.459 31.823 0.149 0.000 0.991 431 V HN 0.697 nan 8.190 nan 0.000 0.427 432 V N 3.563 123.230 119.914 -0.411 0.000 2.495 432 V HA 0.866 4.986 4.120 -0.000 0.000 0.298 432 V C 0.187 176.085 176.094 -0.326 0.000 1.031 432 V CA -0.513 61.445 62.300 -0.570 0.000 0.871 432 V CB 1.865 33.113 31.823 -0.959 0.000 0.988 432 V HN 0.998 nan 8.190 nan 0.000 0.432 433 A N 4.550 127.230 122.820 -0.233 0.000 2.318 433 A HA 0.895 5.215 4.320 -0.000 0.000 0.317 433 A C -0.991 176.625 177.584 0.054 0.000 1.159 433 A CA -0.528 51.513 52.037 0.006 0.000 0.799 433 A CB 1.547 20.625 19.000 0.129 0.000 1.194 433 A HN 0.698 nan 8.150 nan 0.000 0.479 434 V N 2.617 122.636 119.914 0.176 0.000 2.588 434 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 434 V C -0.597 175.601 176.094 0.175 0.000 1.042 434 V CA -0.773 61.653 62.300 0.211 0.000 0.877 434 V CB 1.995 34.041 31.823 0.371 0.000 0.996 434 V HN 0.898 nan 8.190 nan 0.000 0.425 435 N N 3.173 121.961 118.700 0.148 0.000 2.696 435 N HA 0.261 5.001 4.740 -0.000 0.000 0.246 435 N C 1.047 176.625 175.510 0.114 0.000 1.057 435 N CA -0.846 52.269 53.050 0.108 0.000 0.867 435 N CB 1.122 39.659 38.487 0.082 0.000 1.141 435 N HN 0.630 nan 8.380 nan 0.000 0.517 436 R N 1.659 122.213 120.500 0.090 0.000 2.200 436 R HA -0.020 4.319 4.340 -0.000 0.000 0.234 436 R C 0.361 176.703 176.300 0.070 0.000 1.127 436 R CA 0.799 56.952 56.100 0.089 0.000 0.989 436 R CB -0.511 29.751 30.300 -0.064 0.000 0.869 436 R HN 0.272 nan 8.270 nan 0.000 0.459 437 N N 1.279 120.008 118.700 0.049 0.000 2.406 437 N HA -0.027 4.713 4.740 -0.000 0.000 0.265 437 N C -0.085 175.459 175.510 0.056 0.000 1.203 437 N CA -0.036 53.040 53.050 0.044 0.000 0.945 437 N CB 0.741 39.249 38.487 0.036 0.000 1.165 437 N HN 0.127 nan 8.380 nan 0.000 0.485 438 L N 3.657 124.915 121.223 0.058 0.000 2.552 438 L HA 0.078 4.418 4.340 -0.000 0.000 0.227 438 L C 1.048 177.946 176.870 0.046 0.000 1.146 438 L CA 0.974 55.851 54.840 0.060 0.000 0.858 438 L CB -0.482 41.616 42.059 0.065 0.000 0.969 438 L HN 0.554 nan 8.230 nan 0.000 0.451 439 N N -1.408 117.315 118.700 0.039 0.000 2.210 439 N HA 0.344 5.084 4.740 -0.000 0.000 0.203 439 N C 0.049 175.578 175.510 0.031 0.000 1.175 439 N CA 0.330 53.400 53.050 0.032 0.000 0.894 439 N CB 0.960 39.463 38.487 0.027 0.000 1.041 439 N HN 0.136 nan 8.380 nan 0.000 0.506 440 A N 1.167 124.007 122.820 0.033 0.000 2.381 440 A HA 0.594 4.914 4.320 -0.000 0.000 0.299 440 A C -2.700 174.904 177.584 0.033 0.000 1.049 440 A CA -1.372 50.684 52.037 0.031 0.000 0.715 440 A CB 1.250 20.268 19.000 0.030 0.000 1.222 440 A HN -0.147 nan 8.150 nan 0.000 0.428 441 P HA 0.540 nan 4.420 nan 0.000 0.275 441 P C -0.355 176.952 177.300 0.011 0.000 1.266 441 P CA -0.165 62.950 63.100 0.024 0.000 0.793 441 P CB 1.034 32.747 31.700 0.022 0.000 1.074 442 A N 0.066 122.876 122.820 -0.017 0.000 2.475 442 A HA 0.563 4.883 4.320 -0.000 0.000 0.301 442 A C -0.549 176.954 177.584 -0.136 0.000 1.059 442 A CA -0.498 51.512 52.037 -0.045 0.000 0.710 442 A CB 0.981 19.958 19.000 -0.038 0.000 1.288 442 A HN 0.316 nan 8.150 nan 0.000 0.408 443 S N 1.225 116.858 115.700 -0.111 0.000 2.411 443 S HA 0.438 4.908 4.470 -0.000 0.000 0.294 443 S C -0.315 174.089 174.600 -0.328 0.000 1.115 443 S CA -0.079 58.016 58.200 -0.176 0.000 1.071 443 S CB -0.354 62.811 63.200 -0.059 0.000 0.967 443 S HN 0.451 nan 8.310 nan 0.000 0.488 444 I N 4.333 124.502 120.570 -0.669 0.000 2.306 444 I HA 0.278 4.448 4.170 -0.000 0.000 0.288 444 I C 0.161 175.896 176.117 -0.638 0.000 1.036 444 I CA -0.097 60.586 61.300 -1.029 0.000 1.221 444 I CB 0.842 37.821 38.000 -1.701 0.000 1.385 444 I HN 0.546 nan 8.210 nan 0.000 0.472 445 S N 3.177 118.762 115.700 -0.191 0.000 2.548 445 S HA 0.804 5.274 4.470 -0.000 0.000 0.286 445 S C 0.400 175.177 174.600 0.294 0.000 1.098 445 S CA -0.123 58.098 58.200 0.036 0.000 0.930 445 S CB 2.039 65.270 63.200 0.051 0.000 1.070 445 S HN 1.044 nan 8.310 nan 0.000 0.480 446 G N 0.016 108.939 108.800 0.205 0.000 2.157 446 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.248 446 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.248 446 G C -0.243 174.828 174.900 0.284 0.000 0.979 446 G CA 0.058 45.299 45.100 0.234 0.000 0.650 446 G HN 1.169 nan 8.290 nan 0.000 0.529 447 L N 1.619 122.993 121.223 0.251 0.000 2.418 447 L HA 0.634 4.974 4.340 -0.000 0.000 0.274 447 L C 0.221 177.176 176.870 0.140 0.000 1.135 447 L CA -0.335 54.645 54.840 0.234 0.000 0.870 447 L CB 1.265 43.405 42.059 0.136 0.000 1.154 447 L HN 0.104 nan 8.230 nan 0.000 0.462 448 V N 4.746 124.741 119.914 0.136 0.000 2.604 448 V HA 0.780 4.900 4.120 -0.000 0.000 0.305 448 V C 0.236 176.368 176.094 0.064 0.000 1.043 448 V CA -0.024 62.322 62.300 0.076 0.000 0.888 448 V CB 1.866 33.732 31.823 0.072 0.000 0.995 448 V HN 0.972 nan 8.190 nan 0.000 0.429 449 T N 0.089 114.654 114.554 0.019 0.000 2.669 449 T HA 0.396 4.746 4.350 -0.000 0.000 0.283 449 T C 0.265 174.956 174.700 -0.015 0.000 1.019 449 T CA -0.251 61.852 62.100 0.005 0.000 1.039 449 T CB 1.838 70.680 68.868 -0.043 0.000 1.374 449 T HN 0.365 nan 8.240 nan 0.000 0.523 450 S N -0.020 115.667 115.700 -0.022 0.000 2.582 450 S HA 0.346 4.816 4.470 -0.000 0.000 0.234 450 S C 0.378 174.930 174.600 -0.081 0.000 0.961 450 S CA -0.556 57.627 58.200 -0.028 0.000 0.953 450 S CB -0.625 62.578 63.200 0.005 0.000 0.800 450 S HN 0.474 nan 8.310 nan 0.000 0.471 451 L N 2.965 124.110 121.223 -0.130 0.000 2.397 451 L HA 0.314 4.654 4.340 -0.000 0.000 0.271 451 L C -2.296 174.471 176.870 -0.172 0.000 1.148 451 L CA -2.140 52.571 54.840 -0.215 0.000 0.825 451 L CB 0.351 42.161 42.059 -0.416 0.000 1.117 451 L HN -0.028 nan 8.230 nan 0.000 0.456 452 P HA -0.013 nan 4.420 nan 0.000 0.272 452 P C -0.970 176.328 177.300 -0.003 0.000 1.223 452 P CA -0.442 62.538 63.100 -0.201 0.000 0.784 452 P CB 0.400 31.852 31.700 -0.413 0.000 0.923 453 Q N 0.852 120.635 119.800 -0.027 0.000 2.304 453 Q HA 0.363 4.703 4.340 -0.000 0.000 0.301 453 Q C 0.244 176.236 176.000 -0.013 0.000 1.063 453 Q CA 0.898 56.699 55.803 -0.004 0.000 0.947 453 Q CB -0.330 28.392 28.738 -0.026 0.000 1.201 453 Q HN 0.750 nan 8.270 nan 0.000 0.389 454 G N 1.720 110.512 108.800 -0.014 0.000 2.350 454 G HA2 0.109 4.069 3.960 -0.000 0.000 0.282 454 G HA3 0.109 4.069 3.960 -0.000 0.000 0.282 454 G C -1.513 173.294 174.900 -0.156 0.000 1.314 454 G CA -0.460 44.561 45.100 -0.133 0.000 0.915 454 G HN 0.577 nan 8.290 nan 0.000 0.499 455 S N -0.821 114.697 115.700 -0.303 0.000 2.503 455 S HA 0.819 5.289 4.470 -0.000 0.000 0.301 455 S C -1.581 172.789 174.600 -0.385 0.000 1.087 455 S CA -0.339 57.732 58.200 -0.215 0.000 1.042 455 S CB 1.069 64.184 63.200 -0.142 0.000 1.043 455 S HN 0.492 nan 8.310 nan 0.000 0.489 456 Y N 1.778 121.995 120.300 -0.137 0.000 2.391 456 Y HA 0.436 4.986 4.550 -0.000 0.000 0.341 456 Y C 0.214 176.152 175.900 0.062 0.000 0.965 456 Y CA -1.152 56.923 58.100 -0.041 0.000 1.067 456 Y CB 1.156 39.579 38.460 -0.063 0.000 1.199 456 Y HN 0.505 nan 8.280 nan 0.000 0.450 457 N N 1.480 120.334 118.700 0.256 0.000 2.524 457 N HA 0.070 4.810 4.740 -0.000 0.000 0.283 457 N C -0.860 174.853 175.510 0.339 0.000 1.142 457 N CA -0.546 52.644 53.050 0.235 0.000 0.984 457 N CB 0.751 39.306 38.487 0.113 0.000 1.155 457 N HN 0.661 nan 8.380 nan 0.000 0.467 458 D N 0.712 121.260 120.400 0.247 0.000 2.401 458 D HA -0.010 4.629 4.640 -0.000 0.000 0.254 458 D C 0.974 177.256 176.300 -0.030 0.000 1.192 458 D CA -0.113 53.901 54.000 0.024 0.000 0.885 458 D CB 0.665 41.444 40.800 -0.037 0.000 1.147 458 D HN 0.156 nan 8.370 nan 0.000 0.478 459 V N 4.368 124.227 119.914 -0.091 0.000 2.568 459 V HA -0.221 3.899 4.120 -0.000 0.000 0.253 459 V C 2.209 178.260 176.094 -0.072 0.000 1.072 459 V CA 1.306 63.569 62.300 -0.061 0.000 1.084 459 V CB -0.511 31.263 31.823 -0.082 0.000 0.676 459 V HN 0.660 nan 8.190 nan 0.000 0.469 460 L N 0.273 121.433 121.223 -0.106 0.000 2.610 460 L HA 0.184 4.524 4.340 -0.000 0.000 0.232 460 L C 1.796 178.641 176.870 -0.041 0.000 1.149 460 L CA 0.825 55.618 54.840 -0.078 0.000 0.872 460 L CB -0.599 41.401 42.059 -0.098 0.000 0.992 460 L HN 0.536 nan 8.230 nan 0.000 0.447 461 G N -0.134 108.650 108.800 -0.027 0.000 2.203 461 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.263 461 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.263 461 G C 0.992 175.893 174.900 0.002 0.000 1.012 461 G CA 0.319 45.417 45.100 -0.003 0.000 0.749 461 G HN 0.691 nan 8.290 nan 0.000 0.512 462 G N -1.690 107.106 108.800 -0.006 0.000 2.179 462 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.260 462 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.260 462 G C 1.229 176.132 174.900 0.005 0.000 0.977 462 G CA 1.085 46.188 45.100 0.006 0.000 0.641 462 G HN 1.570 nan 8.290 nan 0.000 0.533 463 L N 0.112 121.334 121.223 -0.002 0.000 2.051 463 L HA 0.079 4.419 4.340 -0.000 0.000 0.214 463 L C 2.056 178.933 176.870 0.011 0.000 1.076 463 L CA 2.557 57.401 54.840 0.007 0.000 0.758 463 L CB -0.153 41.907 42.059 0.002 0.000 0.890 463 L HN 0.438 nan 8.230 nan 0.000 0.433 464 L N -0.485 120.737 121.223 -0.001 0.000 2.984 464 L HA 0.278 4.618 4.340 -0.000 0.000 0.246 464 L C 0.152 177.031 176.870 0.015 0.000 1.268 464 L CA -0.163 54.682 54.840 0.009 0.000 1.054 464 L CB -0.602 41.459 42.059 0.003 0.000 1.393 464 L HN 0.309 nan 8.230 nan 0.000 0.532 465 N N -0.349 118.362 118.700 0.018 0.000 2.780 465 N HA -0.153 4.587 4.740 -0.000 0.000 0.248 465 N C 0.605 176.136 175.510 0.034 0.000 1.102 465 N CA 0.691 53.760 53.050 0.031 0.000 0.697 465 N CB -1.052 37.461 38.487 0.042 0.000 1.028 465 N HN 0.604 nan 8.380 nan 0.000 0.554 466 G N -0.070 108.734 108.800 0.007 0.000 2.621 466 G HA2 0.505 4.465 3.960 -0.000 0.000 0.271 466 G HA3 0.505 4.465 3.960 -0.000 0.000 0.271 466 G C 0.204 175.145 174.900 0.068 0.000 1.236 466 G CA -0.051 45.049 45.100 0.000 0.000 0.958 466 G HN 0.429 nan 8.290 nan 0.000 0.512 467 N N -1.963 116.823 118.700 0.143 0.000 2.902 467 N HA 0.324 5.064 4.740 -0.000 0.000 0.268 467 N C -0.913 174.757 175.510 0.266 0.000 1.450 467 N CA -0.597 52.547 53.050 0.157 0.000 0.819 467 N CB 1.025 39.589 38.487 0.128 0.000 1.540 467 N HN 0.354 nan 8.380 nan 0.000 0.545 468 T N 0.562 115.189 114.554 0.122 0.000 2.849 468 T HA 0.460 4.809 4.350 -0.000 0.000 0.284 468 T C -0.228 174.322 174.700 -0.250 0.000 1.004 468 T CA -0.269 61.868 62.100 0.062 0.000 1.021 468 T CB 0.538 69.408 68.868 0.003 0.000 1.013 468 T HN 0.394 nan 8.240 nan 0.000 0.527 469 L N 1.067 121.992 121.223 -0.496 0.000 2.381 469 L HA 0.608 4.948 4.340 -0.000 0.000 0.268 469 L C -0.642 176.000 176.870 -0.379 0.000 0.997 469 L CA -0.159 54.191 54.840 -0.817 0.000 0.818 469 L CB 2.350 43.324 42.059 -1.808 0.000 1.310 469 L HN 0.527 nan 8.230 nan 0.000 0.416 470 S N 2.994 118.515 115.700 -0.299 0.000 2.594 470 S HA 0.605 5.075 4.470 -0.000 0.000 0.322 470 S C -0.892 173.645 174.600 -0.104 0.000 1.085 470 S CA -0.464 57.655 58.200 -0.135 0.000 1.116 470 S CB 1.137 64.282 63.200 -0.091 0.000 0.979 470 S HN 0.361 nan 8.310 nan 0.000 0.465 471 V N 3.673 123.561 119.914 -0.043 0.000 2.394 471 V HA 0.671 4.791 4.120 -0.000 0.000 0.282 471 V C 1.011 177.098 176.094 -0.012 0.000 1.031 471 V CA -0.432 61.849 62.300 -0.032 0.000 0.881 471 V CB 1.388 33.205 31.823 -0.010 0.000 0.982 471 V HN 0.849 nan 8.190 nan 0.000 0.451 472 G N 2.925 111.714 108.800 -0.018 0.000 2.606 472 G HA2 0.499 4.459 3.960 -0.000 0.000 0.262 472 G HA3 0.499 4.459 3.960 -0.000 0.000 0.262 472 G C 0.193 175.085 174.900 -0.014 0.000 1.394 472 G CA -0.103 44.989 45.100 -0.014 0.000 1.044 472 G HN 0.870 nan 8.290 nan 0.000 0.553 473 S N -1.700 113.993 115.700 -0.012 0.000 2.572 473 S HA 0.419 4.889 4.470 -0.000 0.000 0.279 473 S C 1.277 175.871 174.600 -0.010 0.000 1.341 473 S CA 0.685 58.877 58.200 -0.013 0.000 1.043 473 S CB 0.891 64.085 63.200 -0.010 0.000 0.887 473 S HN 2.438 nan 8.310 nan 0.000 0.516 474 G N 1.390 110.183 108.800 -0.012 0.000 2.148 474 G HA2 0.072 4.031 3.960 -0.000 0.000 0.254 474 G HA3 0.072 4.031 3.960 -0.000 0.000 0.254 474 G C 1.179 176.073 174.900 -0.010 0.000 0.981 474 G CA 0.454 45.549 45.100 -0.008 0.000 0.670 474 G HN 2.410 nan 8.290 nan 0.000 0.528 475 G N -1.052 107.735 108.800 -0.022 0.000 2.212 475 G HA2 0.113 4.073 3.960 -0.000 0.000 0.267 475 G HA3 0.113 4.073 3.960 -0.000 0.000 0.267 475 G C 0.768 175.655 174.900 -0.022 0.000 1.002 475 G CA 1.385 46.464 45.100 -0.034 0.000 0.729 475 G HN 2.360 nan 8.290 nan 0.000 0.517 476 A N -0.139 122.677 122.820 -0.007 0.000 2.354 476 A HA 0.812 5.132 4.320 -0.000 0.000 0.281 476 A C 0.807 178.390 177.584 -0.002 0.000 1.174 476 A CA 0.773 52.816 52.037 0.010 0.000 0.828 476 A CB 0.581 19.593 19.000 0.020 0.000 1.099 476 A HN 1.986 nan 8.150 nan 0.000 0.516 477 A N 3.012 125.835 122.820 0.004 0.000 2.354 477 A HA 0.590 4.910 4.320 -0.000 0.000 0.269 477 A C 0.892 178.499 177.584 0.037 0.000 1.109 477 A CA 0.170 52.199 52.037 -0.012 0.000 0.800 477 A CB 0.021 19.005 19.000 -0.027 0.000 1.045 477 A HN 1.657 nan 8.150 nan 0.000 0.489 478 S N 2.253 117.969 115.700 0.027 0.000 2.632 478 S HA 0.247 4.717 4.470 -0.000 0.000 0.267 478 S C 0.044 174.722 174.600 0.129 0.000 1.276 478 S CA -0.738 57.494 58.200 0.053 0.000 0.998 478 S CB 0.076 63.292 63.200 0.026 0.000 0.953 478 S HN 0.729 nan 8.310 nan 0.000 0.547 479 N N 0.885 119.632 118.700 0.079 0.000 2.353 479 N HA 0.379 5.119 4.740 -0.000 0.000 0.248 479 N C -0.598 174.997 175.510 0.141 0.000 1.240 479 N CA 0.414 53.488 53.050 0.041 0.000 0.862 479 N CB -0.023 38.464 38.487 -0.001 0.000 1.086 479 N HN 0.649 nan 8.380 nan 0.000 0.453 480 F N -2.056 117.845 119.950 -0.082 0.000 2.713 480 F HA 0.503 5.030 4.527 -0.000 0.000 0.311 480 F C -1.123 174.636 175.800 -0.069 0.000 1.141 480 F CA -1.116 56.843 58.000 -0.069 0.000 0.939 480 F CB 1.006 39.960 39.000 -0.076 0.000 1.325 480 F HN 0.070 nan 8.300 nan 0.000 0.453 481 T N 3.159 117.776 114.554 0.104 0.000 2.771 481 T HA 0.531 4.881 4.350 -0.000 0.000 0.281 481 T C -1.184 173.618 174.700 0.170 0.000 0.982 481 T CA -0.325 61.782 62.100 0.011 0.000 0.978 481 T CB 1.331 70.216 68.868 0.027 0.000 0.930 481 T HN 0.700 nan 8.240 nan 0.000 0.447 482 L N 4.401 125.655 121.223 0.051 0.000 2.272 482 L HA 0.666 5.006 4.340 -0.000 0.000 0.284 482 L C 0.538 177.457 176.870 0.082 0.000 1.045 482 L CA -0.523 54.402 54.840 0.142 0.000 0.842 482 L CB -0.380 41.734 42.059 0.092 0.000 1.224 482 L HN 0.808 nan 8.230 nan 0.000 0.430 483 A N 4.336 127.215 122.820 0.098 0.000 2.583 483 A HA 0.448 4.767 4.320 -0.000 0.000 0.231 483 A C 0.705 178.326 177.584 0.062 0.000 1.065 483 A CA 0.345 52.424 52.037 0.070 0.000 0.760 483 A CB -0.171 18.871 19.000 0.070 0.000 1.001 483 A HN 1.146 nan 8.150 nan 0.000 0.509 484 A N 0.787 123.639 122.820 0.053 0.000 2.511 484 A HA 0.487 4.807 4.320 -0.000 0.000 0.242 484 A C 1.721 179.342 177.584 0.063 0.000 1.069 484 A CA 0.777 52.846 52.037 0.054 0.000 0.763 484 A CB -0.854 18.174 19.000 0.046 0.000 1.001 484 A HN 2.799 nan 8.150 nan 0.000 0.498 485 G N 1.715 110.560 108.800 0.075 0.000 2.189 485 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.267 485 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.267 485 G C 0.894 175.844 174.900 0.082 0.000 0.975 485 G CA 0.755 45.907 45.100 0.087 0.000 0.644 485 G HN 1.994 nan 8.290 nan 0.000 0.537 486 G N -0.449 108.397 108.800 0.077 0.000 2.441 486 G HA2 0.556 4.516 3.960 -0.000 0.000 0.243 486 G HA3 0.556 4.516 3.960 -0.000 0.000 0.243 486 G C -0.087 174.849 174.900 0.061 0.000 1.281 486 G CA 0.964 46.105 45.100 0.068 0.000 0.854 486 G HN 0.807 nan 8.290 nan 0.000 0.560 487 T N 0.153 114.716 114.554 0.015 0.000 2.991 487 T HA 0.672 5.022 4.350 -0.000 0.000 0.303 487 T C -0.365 174.243 174.700 -0.154 0.000 1.015 487 T CA -0.085 61.992 62.100 -0.039 0.000 1.007 487 T CB 1.822 70.682 68.868 -0.014 0.000 1.034 487 T HN 1.150 nan 8.240 nan 0.000 0.446 488 A N 2.308 124.929 122.820 -0.331 0.000 2.486 488 A HA 0.877 5.197 4.320 -0.000 0.000 0.300 488 A C -1.293 175.711 177.584 -0.968 0.000 1.048 488 A CA -0.731 50.911 52.037 -0.659 0.000 0.696 488 A CB 1.596 20.112 19.000 -0.807 0.000 1.278 488 A HN 0.678 nan 8.150 nan 0.000 0.405 489 V N 2.089 121.435 119.914 -0.947 0.000 2.588 489 V HA 0.636 4.756 4.120 -0.000 0.000 0.304 489 V C -1.001 174.644 176.094 -0.748 0.000 1.042 489 V CA -0.526 61.332 62.300 -0.736 0.000 0.877 489 V CB 1.553 33.152 31.823 -0.372 0.000 0.996 489 V HN 0.843 nan 8.190 nan 0.000 0.425 490 W N 3.389 124.622 121.300 -0.112 0.000 2.864 490 W HA 0.755 5.415 4.660 -0.000 0.000 0.343 490 W C -0.341 176.122 176.519 -0.093 0.000 1.109 490 W CA -0.611 56.679 57.345 -0.093 0.000 1.192 490 W CB 2.182 31.529 29.460 -0.189 0.000 1.426 490 W HN 0.736 nan 8.180 nan 0.000 0.529 491 Q N 0.979 120.917 119.800 0.230 0.000 2.590 491 Q HA 0.650 4.990 4.340 -0.000 0.000 0.295 491 Q C -2.338 173.854 176.000 0.321 0.000 0.973 491 Q CA -1.057 54.846 55.803 0.167 0.000 0.768 491 Q CB 3.451 32.247 28.738 0.096 0.000 1.479 491 Q HN 0.405 nan 8.270 nan 0.000 0.419 492 Y N 0.733 121.101 120.300 0.114 0.000 2.401 492 Y HA 0.571 5.121 4.550 -0.000 0.000 0.330 492 Y C -1.733 174.222 175.900 0.091 0.000 1.071 492 Y CA -0.083 58.110 58.100 0.155 0.000 1.049 492 Y CB 2.331 40.917 38.460 0.210 0.000 1.239 492 Y HN 0.924 nan 8.280 nan 0.000 0.437 493 T N 2.538 116.777 114.554 -0.524 0.000 2.893 493 T HA 1.014 5.363 4.350 -0.000 0.000 0.291 493 T C -0.750 173.570 174.700 -0.633 0.000 1.028 493 T CA -0.366 61.476 62.100 -0.430 0.000 0.995 493 T CB 1.861 70.618 68.868 -0.186 0.000 1.051 493 T HN 1.304 nan 8.240 nan 0.000 0.470 494 A N 0.964 123.577 122.820 -0.345 0.000 2.586 494 A HA 0.880 5.200 4.320 -0.000 0.000 0.291 494 A C -0.354 177.177 177.584 -0.088 0.000 1.062 494 A CA -0.720 51.178 52.037 -0.232 0.000 0.666 494 A CB 0.444 19.304 19.000 -0.233 0.000 1.281 494 A HN 1.737 nan 8.150 nan 0.000 0.421 495 A N 0.362 123.152 122.820 -0.049 0.000 2.498 495 A HA 0.555 4.875 4.320 -0.000 0.000 0.239 495 A C 0.414 177.993 177.584 -0.009 0.000 1.068 495 A CA 0.778 52.801 52.037 -0.024 0.000 0.766 495 A CB -0.403 18.588 19.000 -0.015 0.000 1.003 495 A HN 1.053 nan 8.150 nan 0.000 0.497 496 T N 2.099 116.644 114.554 -0.016 0.000 2.767 496 T HA 0.477 4.827 4.350 -0.000 0.000 0.284 496 T C 1.127 175.814 174.700 -0.021 0.000 0.973 496 T CA 0.305 62.388 62.100 -0.028 0.000 0.996 496 T CB 1.567 70.397 68.868 -0.065 0.000 0.927 496 T HN 0.865 nan 8.240 nan 0.000 0.456 497 A N 3.047 125.862 122.820 -0.009 0.000 2.147 497 A HA 0.261 4.581 4.320 -0.000 0.000 0.211 497 A C 1.245 178.840 177.584 0.019 0.000 1.160 497 A CA 0.116 52.159 52.037 0.010 0.000 0.781 497 A CB -0.044 18.966 19.000 0.016 0.000 0.842 497 A HN 0.746 nan 8.150 nan 0.000 0.475 498 T N -1.097 113.457 114.554 -0.000 0.000 2.885 498 T HA 0.575 4.925 4.350 -0.000 0.000 0.285 498 T C -3.291 171.420 174.700 0.019 0.000 1.019 498 T CA -2.517 59.595 62.100 0.020 0.000 1.010 498 T CB 1.687 70.559 68.868 0.008 0.000 1.022 498 T HN -0.057 nan 8.240 nan 0.000 0.466 499 P HA 0.254 nan 4.420 nan 0.000 0.262 499 P C -0.626 176.735 177.300 0.102 0.000 1.199 499 P CA -0.009 63.208 63.100 0.194 0.000 0.763 499 P CB -0.022 31.878 31.700 0.333 0.000 0.790 500 T N 4.760 119.324 114.554 0.016 0.000 2.906 500 T HA 0.433 4.783 4.350 -0.000 0.000 0.302 500 T C 0.343 175.101 174.700 0.098 0.000 1.002 500 T CA -0.407 61.652 62.100 -0.069 0.000 0.988 500 T CB 0.346 68.957 68.868 -0.429 0.000 0.972 500 T HN 0.183 nan 8.240 nan 0.000 0.447 501 I N 2.575 123.270 120.570 0.208 0.000 2.471 501 I HA 0.325 4.495 4.170 -0.000 0.000 0.286 501 I C 1.448 177.719 176.117 0.257 0.000 1.079 501 I CA 0.150 61.591 61.300 0.235 0.000 1.398 501 I CB 1.066 39.155 38.000 0.148 0.000 1.403 501 I HN 0.867 nan 8.210 nan 0.000 0.530 502 G N 5.040 113.830 108.800 -0.017 0.000 2.673 502 G HA2 0.028 3.988 3.960 -0.000 0.000 0.208 502 G HA3 0.028 3.988 3.960 -0.000 0.000 0.208 502 G C 0.364 175.095 174.900 -0.282 0.000 1.128 502 G CA 0.326 45.188 45.100 -0.396 0.000 0.805 502 G HN 0.628 nan 8.290 nan 0.000 0.526 503 H N -1.329 117.449 119.070 -0.487 0.000 3.037 503 H HA 0.521 5.077 4.556 -0.000 0.000 0.336 503 H C -2.086 172.909 175.328 -0.554 0.000 1.323 503 H CA -0.298 55.518 56.048 -0.387 0.000 1.159 503 H CB 2.126 31.823 29.762 -0.109 0.000 1.882 503 H HN -0.081 nan 8.280 nan 0.000 0.535 504 V N 1.243 120.568 119.914 -0.982 0.000 2.841 504 V HA 0.729 4.849 4.120 -0.000 0.000 0.310 504 V C -0.011 175.910 176.094 -0.287 0.000 1.090 504 V CA -0.115 61.852 62.300 -0.554 0.000 0.930 504 V CB 1.918 33.385 31.823 -0.594 0.000 1.014 504 V HN 0.962 nan 8.190 nan 0.000 0.425 505 G N 3.496 112.313 108.800 0.029 0.000 2.702 505 G HA2 0.672 4.632 3.960 -0.000 0.000 0.296 505 G HA3 0.672 4.632 3.960 -0.000 0.000 0.296 505 G C -3.462 171.556 174.900 0.196 0.000 1.463 505 G CA -0.896 44.315 45.100 0.185 0.000 0.890 505 G HN 0.497 nan 8.290 nan 0.000 0.534 506 P HA 0.244 nan 4.420 nan 0.000 0.275 506 P C 0.456 177.926 177.300 0.284 0.000 1.266 506 P CA -0.358 62.869 63.100 0.212 0.000 0.793 506 P CB 0.963 32.752 31.700 0.149 0.000 1.074 507 M N -0.711 118.956 119.600 0.112 0.000 2.371 507 M HA 0.262 4.742 4.480 -0.000 0.000 0.246 507 M C 0.601 176.546 176.300 -0.593 0.000 1.103 507 M CA 0.466 55.743 55.300 -0.038 0.000 1.010 507 M CB -0.588 32.013 32.600 0.001 0.000 1.457 507 M HN 0.453 nan 8.290 nan 0.000 0.486 508 M N 0.610 119.965 119.600 -0.407 0.000 2.284 508 M HA 0.632 5.112 4.480 -0.000 0.000 0.281 508 M C -2.237 173.952 176.300 -0.184 0.000 1.083 508 M CA -0.227 54.803 55.300 -0.451 0.000 0.965 508 M CB 2.376 34.814 32.600 -0.270 0.000 1.717 508 M HN -0.004 nan 8.290 nan 0.000 0.479 509 A N 3.450 126.202 122.820 -0.114 0.000 2.544 509 A HA 0.585 4.905 4.320 -0.000 0.000 0.291 509 A C -1.877 175.739 177.584 0.054 0.000 1.055 509 A CA -0.971 51.083 52.037 0.029 0.000 0.651 509 A CB 1.454 20.526 19.000 0.121 0.000 1.296 509 A HN 0.952 nan 8.150 nan 0.000 0.431 510 K N 0.206 120.626 120.400 0.032 0.000 2.090 510 K HA 0.664 4.984 4.320 -0.000 0.000 0.250 510 K C -2.648 173.953 176.600 0.001 0.000 1.004 510 K CA -1.519 54.778 56.287 0.016 0.000 0.919 510 K CB 0.359 32.861 32.500 0.002 0.000 1.045 510 K HN 0.293 nan 8.250 nan 0.000 0.471 511 P HA 0.025 nan 4.420 nan 0.000 0.269 511 P C 0.517 177.773 177.300 -0.072 0.000 1.209 511 P CA 0.761 63.806 63.100 -0.091 0.000 0.776 511 P CB 0.721 32.359 31.700 -0.102 0.000 0.876 512 G N 0.501 109.242 108.800 -0.097 0.000 2.254 512 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.225 512 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.225 512 G C 0.023 174.896 174.900 -0.046 0.000 1.003 512 G CA -0.095 44.965 45.100 -0.067 0.000 0.622 512 G HN 0.537 nan 8.290 nan 0.000 0.507 513 V N 2.181 122.078 119.914 -0.029 0.000 2.775 513 V HA 0.494 4.614 4.120 -0.000 0.000 0.299 513 V C 1.001 177.093 176.094 -0.003 0.000 1.062 513 V CA 0.577 62.876 62.300 -0.001 0.000 1.063 513 V CB 1.469 33.314 31.823 0.036 0.000 0.994 513 V HN 0.311 nan 8.190 nan 0.000 0.483 514 T N 6.114 120.669 114.554 0.003 0.000 2.817 514 T HA 0.556 4.906 4.350 -0.000 0.000 0.293 514 T C -0.042 174.676 174.700 0.030 0.000 0.964 514 T CA -0.010 62.093 62.100 0.005 0.000 1.085 514 T CB 0.340 69.204 68.868 -0.006 0.000 0.921 514 T HN 0.598 nan 8.240 nan 0.000 0.502 515 I N -0.044 120.542 120.570 0.028 0.000 2.863 515 I HA 0.756 4.926 4.170 -0.000 0.000 0.311 515 I C -0.451 175.661 176.117 -0.009 0.000 1.026 515 I CA -0.911 60.411 61.300 0.037 0.000 1.077 515 I CB 2.195 40.201 38.000 0.011 0.000 1.262 515 I HN 0.327 nan 8.210 nan 0.000 0.461 516 T N 4.441 118.995 114.554 -0.000 0.000 2.792 516 T HA 0.611 4.961 4.350 -0.000 0.000 0.280 516 T C -0.269 174.388 174.700 -0.071 0.000 0.990 516 T CA -0.193 61.891 62.100 -0.026 0.000 0.960 516 T CB 1.182 70.064 68.868 0.023 0.000 0.939 516 T HN 0.389 nan 8.240 nan 0.000 0.439 517 I N 3.402 123.892 120.570 -0.133 0.000 2.390 517 I HA 0.319 4.489 4.170 -0.000 0.000 0.283 517 I C -0.442 175.652 176.117 -0.039 0.000 1.016 517 I CA -0.726 60.465 61.300 -0.182 0.000 1.151 517 I CB 1.180 38.975 38.000 -0.341 0.000 1.293 517 I HN 0.474 nan 8.210 nan 0.000 0.458 518 D N 4.793 125.174 120.400 -0.032 0.000 2.181 518 D HA 0.763 5.402 4.640 -0.000 0.000 0.248 518 D C 0.284 176.478 176.300 -0.177 0.000 1.020 518 D CA 0.068 54.041 54.000 -0.045 0.000 0.891 518 D CB 2.559 43.308 40.800 -0.084 0.000 1.187 518 D HN 0.746 nan 8.370 nan 0.000 0.443 519 G N 0.777 109.391 108.800 -0.310 0.000 2.441 519 G HA2 0.294 4.254 3.960 -0.000 0.000 0.225 519 G HA3 0.294 4.254 3.960 -0.000 0.000 0.225 519 G C -1.334 173.242 174.900 -0.539 0.000 1.200 519 G CA -0.630 44.205 45.100 -0.442 0.000 0.947 519 G HN 0.312 nan 8.290 nan 0.000 0.484 520 R N -0.916 119.231 120.500 -0.588 0.000 2.707 520 R HA 0.595 4.935 4.340 -0.000 0.000 0.272 520 R C 0.371 176.377 176.300 -0.490 0.000 1.011 520 R CA -0.083 55.761 56.100 -0.427 0.000 0.893 520 R CB 1.429 31.719 30.300 -0.016 0.000 1.233 520 R HN 2.250 nan 8.270 nan 0.000 0.464 521 G N 1.283 109.909 108.800 -0.290 0.000 2.198 521 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 521 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 521 G C 0.086 175.021 174.900 0.059 0.000 1.042 521 G CA 0.108 45.151 45.100 -0.096 0.000 0.791 521 G HN 0.443 nan 8.290 nan 0.000 0.502 522 F N 0.855 120.818 119.950 0.023 0.000 2.710 522 F HA 0.411 4.938 4.527 -0.000 0.000 0.298 522 F C 1.997 178.002 175.800 0.342 0.000 1.137 522 F CA 0.720 58.756 58.000 0.061 0.000 1.444 522 F CB -0.424 38.395 39.000 -0.301 0.000 1.111 522 F HN 1.080 nan 8.300 nan 0.000 0.580 523 G N 0.113 109.152 108.800 0.399 0.000 2.828 523 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.463 523 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.463 523 G C 0.718 175.884 174.900 0.442 0.000 1.394 523 G CA -0.044 45.262 45.100 0.344 0.000 0.862 523 G HN 0.332 nan 8.290 nan 0.000 0.540 524 S N -1.251 114.610 115.700 0.268 0.000 2.503 524 S HA 0.420 4.890 4.470 -0.000 0.000 0.215 524 S C 1.155 175.836 174.600 0.135 0.000 1.003 524 S CA 1.049 59.396 58.200 0.245 0.000 0.910 524 S CB 0.178 63.457 63.200 0.132 0.000 0.790 524 S HN 1.911 nan 8.310 nan 0.000 0.514 525 S N 1.486 117.152 115.700 -0.057 0.000 2.578 525 S HA 0.485 4.955 4.470 -0.000 0.000 0.283 525 S C -0.487 173.601 174.600 -0.853 0.000 1.195 525 S CA -0.985 57.043 58.200 -0.288 0.000 1.050 525 S CB 1.015 64.094 63.200 -0.203 0.000 1.012 525 S HN 0.182 nan 8.310 nan 0.000 0.511 526 K N 1.122 121.008 120.400 -0.856 0.000 2.524 526 K HA 0.226 4.546 4.320 -0.000 0.000 0.279 526 K C 0.852 176.696 176.600 -1.260 0.000 0.993 526 K CA 0.356 55.876 56.287 -1.279 0.000 1.030 526 K CB 0.210 32.386 32.500 -0.541 0.000 0.891 526 K HN 0.829 nan 8.250 nan 0.000 0.488 527 G N 1.559 109.215 108.800 -1.907 0.000 3.341 527 G HA2 0.355 4.315 3.960 -0.000 0.000 0.177 527 G HA3 0.355 4.315 3.960 -0.000 0.000 0.177 527 G C -0.795 173.867 174.900 -0.397 0.000 1.236 527 G CA -0.181 44.406 45.100 -0.856 0.000 0.888 527 G HN 0.504 nan 8.290 nan 0.000 0.644 528 T N -0.549 113.964 114.554 -0.069 0.000 2.909 528 T HA 0.566 4.916 4.350 -0.000 0.000 0.299 528 T C -1.169 173.474 174.700 -0.095 0.000 1.073 528 T CA -0.251 61.773 62.100 -0.125 0.000 0.999 528 T CB 2.224 70.941 68.868 -0.252 0.000 1.098 528 T HN 0.305 nan 8.240 nan 0.000 0.477 529 V N 2.727 122.507 119.914 -0.224 0.000 2.555 529 V HA 0.526 4.646 4.120 -0.000 0.000 0.302 529 V C -1.392 174.475 176.094 -0.379 0.000 1.038 529 V CA -0.821 61.348 62.300 -0.220 0.000 0.887 529 V CB 1.226 32.943 31.823 -0.178 0.000 0.991 529 V HN 0.815 nan 8.190 nan 0.000 0.434 530 Y N 3.652 123.866 120.300 -0.142 0.000 2.352 530 Y HA 0.602 5.152 4.550 -0.000 0.000 0.339 530 Y C -0.416 175.383 175.900 -0.169 0.000 0.992 530 Y CA -0.899 57.165 58.100 -0.061 0.000 1.100 530 Y CB 1.555 40.008 38.460 -0.012 0.000 1.192 530 Y HN 0.516 nan 8.280 nan 0.000 0.458 531 F N 2.638 122.642 119.950 0.090 0.000 2.310 531 F HA 0.537 5.064 4.527 -0.000 0.000 0.365 531 F C 0.926 176.843 175.800 0.195 0.000 1.080 531 F CA -0.172 57.836 58.000 0.012 0.000 1.187 531 F CB 0.746 39.605 39.000 -0.234 0.000 1.465 531 F HN 0.818 nan 8.300 nan 0.000 0.496 532 G N 2.011 111.068 108.800 0.428 0.000 2.588 532 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.273 532 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.273 532 G C 1.044 176.116 174.900 0.286 0.000 1.211 532 G CA 0.386 45.743 45.100 0.429 0.000 0.958 532 G HN 0.711 nan 8.290 nan 0.000 0.543 533 T N -1.767 112.949 114.554 0.271 0.000 3.023 533 T HA 0.442 4.792 4.350 -0.000 0.000 0.253 533 T C 0.973 175.836 174.700 0.273 0.000 1.038 533 T CA 1.413 63.648 62.100 0.225 0.000 0.962 533 T CB 0.192 69.151 68.868 0.151 0.000 1.018 533 T HN 0.862 nan 8.240 nan 0.000 0.521 534 T N 3.209 117.916 114.554 0.255 0.000 2.851 534 T HA 0.640 4.990 4.350 -0.000 0.000 0.298 534 T C 0.151 174.946 174.700 0.158 0.000 0.977 534 T CA -0.406 61.801 62.100 0.177 0.000 1.126 534 T CB 0.995 69.927 68.868 0.107 0.000 0.916 534 T HN 0.539 nan 8.240 nan 0.000 0.529 535 A N 3.108 125.954 122.820 0.042 0.000 2.312 535 A HA 0.721 5.041 4.320 -0.000 0.000 0.326 535 A C -0.470 177.034 177.584 -0.132 0.000 1.172 535 A CA -0.646 51.272 52.037 -0.198 0.000 0.821 535 A CB 0.844 19.703 19.000 -0.235 0.000 1.166 535 A HN 0.676 nan 8.150 nan 0.000 0.493 536 V N 2.232 122.040 119.914 -0.177 0.000 2.531 536 V HA 0.715 4.835 4.120 -0.000 0.000 0.301 536 V C -0.014 176.010 176.094 -0.117 0.000 1.034 536 V CA 0.029 62.278 62.300 -0.085 0.000 0.865 536 V CB 1.464 33.307 31.823 0.034 0.000 0.995 536 V HN 1.274 nan 8.190 nan 0.000 0.424 537 S N 2.518 118.163 115.700 -0.092 0.000 2.656 537 S HA 0.976 5.446 4.470 -0.000 0.000 0.273 537 S C 0.090 174.647 174.600 -0.073 0.000 1.168 537 S CA -0.061 58.081 58.200 -0.097 0.000 0.817 537 S CB 1.584 64.707 63.200 -0.128 0.000 1.146 537 S HN 2.133 nan 8.310 nan 0.000 0.475 538 G N 1.119 109.870 108.800 -0.082 0.000 2.539 538 G HA2 0.126 4.086 3.960 -0.000 0.000 0.256 538 G HA3 0.126 4.086 3.960 -0.000 0.000 0.256 538 G C 1.062 175.937 174.900 -0.042 0.000 1.233 538 G CA 0.784 45.845 45.100 -0.065 0.000 0.936 538 G HN 1.992 nan 8.290 nan 0.000 0.571 539 A N -1.140 121.658 122.820 -0.036 0.000 1.940 539 A HA -0.164 4.156 4.320 -0.000 0.000 0.221 539 A C 2.012 179.584 177.584 -0.019 0.000 1.190 539 A CA 2.988 55.010 52.037 -0.026 0.000 0.647 539 A CB -0.726 18.259 19.000 -0.026 0.000 0.821 539 A HN 0.792 nan 8.150 nan 0.000 0.457 540 D N -0.531 119.855 120.400 -0.024 0.000 2.263 540 D HA -0.018 4.622 4.640 -0.000 0.000 0.208 540 D C 0.621 176.919 176.300 -0.002 0.000 0.971 540 D CA 0.541 54.528 54.000 -0.022 0.000 0.867 540 D CB -0.244 40.533 40.800 -0.038 0.000 0.929 540 D HN 0.499 nan 8.370 nan 0.000 0.492 541 I N 1.879 122.457 120.570 0.013 0.000 2.311 541 I HA -0.034 4.135 4.170 -0.000 0.000 0.297 541 I C 1.644 177.789 176.117 0.046 0.000 1.131 541 I CA 0.001 61.331 61.300 0.051 0.000 1.289 541 I CB 0.817 38.874 38.000 0.096 0.000 1.446 541 I HN -0.041 nan 8.210 nan 0.000 0.524 542 T N 0.976 115.549 114.554 0.030 0.000 2.962 542 T HA -0.035 4.315 4.350 -0.000 0.000 0.270 542 T C 0.670 175.395 174.700 0.042 0.000 1.088 542 T CA 0.633 62.747 62.100 0.023 0.000 1.127 542 T CB -0.056 68.815 68.868 0.005 0.000 0.883 542 T HN 0.606 nan 8.240 nan 0.000 0.493 543 S N -1.071 114.669 115.700 0.068 0.000 2.543 543 S HA 0.504 4.974 4.470 -0.000 0.000 0.274 543 S C -2.126 172.571 174.600 0.162 0.000 1.149 543 S CA -1.120 57.139 58.200 0.097 0.000 0.866 543 S CB 1.404 64.635 63.200 0.052 0.000 1.111 543 S HN 0.457 nan 8.310 nan 0.000 0.457 544 W N 2.316 123.602 121.300 -0.022 0.000 2.968 544 W HA 0.602 5.262 4.660 -0.000 0.000 0.337 544 W C -1.434 175.103 176.519 0.029 0.000 1.060 544 W CA -0.372 56.965 57.345 -0.012 0.000 1.240 544 W CB 1.704 31.143 29.460 -0.036 0.000 1.370 544 W HN 1.037 nan 8.180 nan 0.000 0.459 545 E N 1.930 122.165 120.200 0.058 0.000 2.456 545 E HA 0.067 4.417 4.350 -0.000 0.000 0.276 545 E C -0.051 176.602 176.600 0.088 0.000 0.981 545 E CA -0.615 55.870 56.400 0.142 0.000 0.814 545 E CB 2.197 31.936 29.700 0.066 0.000 1.382 545 E HN 0.289 nan 8.360 nan 0.000 0.459 546 D N -0.163 120.310 120.400 0.122 0.000 2.158 546 D HA -0.165 4.474 4.640 -0.000 0.000 0.197 546 D C 1.593 177.798 176.300 -0.159 0.000 0.995 546 D CA 2.264 56.300 54.000 0.060 0.000 0.846 546 D CB 0.217 41.034 40.800 0.028 0.000 0.941 546 D HN 0.481 nan 8.370 nan 0.000 0.456 547 T N -3.729 110.757 114.554 -0.114 0.000 3.010 547 T HA 0.158 4.508 4.350 -0.000 0.000 0.257 547 T C 0.485 175.156 174.700 -0.049 0.000 1.020 547 T CA -0.467 61.498 62.100 -0.225 0.000 0.938 547 T CB 0.438 69.229 68.868 -0.129 0.000 1.049 547 T HN 0.161 nan 8.240 nan 0.000 0.522 548 Q N 0.088 119.947 119.800 0.100 0.000 2.391 548 Q HA 0.670 5.010 4.340 -0.000 0.000 0.279 548 Q C -2.216 173.727 176.000 -0.094 0.000 1.028 548 Q CA -0.971 54.872 55.803 0.067 0.000 0.836 548 Q CB 2.037 30.769 28.738 -0.010 0.000 1.414 548 Q HN 0.447 nan 8.270 nan 0.000 0.397 549 I N 2.402 122.840 120.570 -0.221 0.000 2.619 549 I HA 0.467 4.637 4.170 -0.000 0.000 0.292 549 I C -1.073 174.935 176.117 -0.181 0.000 1.100 549 I CA -0.842 60.251 61.300 -0.347 0.000 1.043 549 I CB 2.390 39.946 38.000 -0.741 0.000 1.239 549 I HN 0.462 nan 8.210 nan 0.000 0.420 550 K N 5.057 125.402 120.400 -0.091 0.000 2.413 550 K HA 0.738 5.058 4.320 -0.000 0.000 0.257 550 K C -1.439 175.148 176.600 -0.021 0.000 0.946 550 K CA -0.684 55.574 56.287 -0.049 0.000 0.823 550 K CB 3.084 35.569 32.500 -0.025 0.000 1.109 550 K HN 0.310 nan 8.250 nan 0.000 0.427 551 V N 2.846 122.750 119.914 -0.016 0.000 2.971 551 V HA 0.342 4.462 4.120 -0.000 0.000 0.309 551 V C -1.448 174.660 176.094 0.022 0.000 1.130 551 V CA -0.930 61.382 62.300 0.020 0.000 0.964 551 V CB 2.092 33.942 31.823 0.045 0.000 1.029 551 V HN 0.654 nan 8.190 nan 0.000 0.427 552 K N 5.892 126.287 120.400 -0.008 0.000 2.249 552 K HA 0.517 4.837 4.320 -0.000 0.000 0.280 552 K C -0.478 176.019 176.600 -0.172 0.000 1.033 552 K CA -0.305 55.945 56.287 -0.063 0.000 0.946 552 K CB 1.315 33.775 32.500 -0.068 0.000 1.005 552 K HN 0.576 nan 8.250 nan 0.000 0.469 553 I N 5.748 126.169 120.570 -0.249 0.000 2.517 553 I HA 0.034 4.204 4.170 -0.000 0.000 0.285 553 I C -1.736 174.083 176.117 -0.496 0.000 1.106 553 I CA -1.939 59.009 61.300 -0.586 0.000 1.402 553 I CB 0.216 37.995 38.000 -0.369 0.000 1.399 553 I HN 0.346 nan 8.210 nan 0.000 0.535 554 P HA 0.009 nan 4.420 nan 0.000 0.270 554 P C -0.513 176.609 177.300 -0.297 0.000 1.223 554 P CA -0.464 62.409 63.100 -0.379 0.000 0.785 554 P CB 0.596 32.081 31.700 -0.357 0.000 0.923 555 A N 1.981 124.694 122.820 -0.179 0.000 3.026 555 A HA 0.385 4.705 4.320 -0.000 0.000 0.272 555 A C 0.650 178.175 177.584 -0.099 0.000 1.782 555 A CA -0.326 51.638 52.037 -0.121 0.000 1.451 555 A CB -1.500 17.455 19.000 -0.075 0.000 1.081 555 A HN 0.397 nan 8.150 nan 0.000 0.611 556 V N -1.512 118.323 119.914 -0.132 0.000 3.211 556 V HA 0.891 5.011 4.120 -0.000 0.000 0.319 556 V C 0.669 176.777 176.094 0.024 0.000 1.096 556 V CA -0.799 61.465 62.300 -0.060 0.000 1.029 556 V CB 0.894 32.645 31.823 -0.121 0.000 1.137 556 V HN 0.887 nan 8.190 nan 0.000 0.453 557 A N 0.770 123.661 122.820 0.118 0.000 2.407 557 A HA 0.617 4.937 4.320 -0.000 0.000 0.248 557 A C 0.932 178.640 177.584 0.207 0.000 1.082 557 A CA 0.241 52.359 52.037 0.136 0.000 0.785 557 A CB -0.390 18.688 19.000 0.130 0.000 1.020 557 A HN 2.020 nan 8.150 nan 0.000 0.489 558 G N 0.115 108.998 108.800 0.138 0.000 2.287 558 G HA2 0.540 4.500 3.960 -0.000 0.000 0.235 558 G HA3 0.540 4.500 3.960 -0.000 0.000 0.235 558 G C 0.491 175.499 174.900 0.179 0.000 1.258 558 G CA 0.711 45.898 45.100 0.144 0.000 0.884 558 G HN 1.922 nan 8.290 nan 0.000 0.518 559 G N 1.094 110.031 108.800 0.230 0.000 2.333 559 G HA2 0.276 4.236 3.960 -0.000 0.000 0.288 559 G HA3 0.276 4.236 3.960 -0.000 0.000 0.288 559 G C -1.329 173.657 174.900 0.145 0.000 1.286 559 G CA -0.908 44.259 45.100 0.112 0.000 0.865 559 G HN 0.804 nan 8.290 nan 0.000 0.506 560 N N -0.673 117.972 118.700 -0.092 0.000 2.400 560 N HA 0.764 5.504 4.740 -0.000 0.000 0.288 560 N C -1.468 173.928 175.510 -0.189 0.000 1.024 560 N CA -0.206 52.837 53.050 -0.011 0.000 0.894 560 N CB 1.060 39.526 38.487 -0.035 0.000 1.173 560 N HN 0.458 nan 8.380 nan 0.000 0.487 561 Y N 0.365 120.790 120.300 0.209 0.000 2.609 561 Y HA 0.456 5.006 4.550 -0.000 0.000 0.342 561 Y C -0.360 175.663 175.900 0.206 0.000 1.058 561 Y CA -1.093 57.138 58.100 0.219 0.000 1.055 561 Y CB 1.444 40.093 38.460 0.315 0.000 1.292 561 Y HN 0.420 nan 8.280 nan 0.000 0.476 562 N N 1.197 120.084 118.700 0.311 0.000 2.473 562 N HA 0.544 5.284 4.740 -0.000 0.000 0.291 562 N C -1.185 174.418 175.510 0.154 0.000 1.083 562 N CA -0.398 52.773 53.050 0.202 0.000 0.951 562 N CB 1.349 39.908 38.487 0.120 0.000 1.164 562 N HN 0.492 nan 8.380 nan 0.000 0.480 563 I N 0.695 121.316 120.570 0.086 0.000 2.562 563 I HA 0.419 4.589 4.170 -0.000 0.000 0.301 563 I C 0.227 176.328 176.117 -0.027 0.000 1.003 563 I CA -0.591 60.653 61.300 -0.094 0.000 1.127 563 I CB 1.524 39.353 38.000 -0.286 0.000 1.304 563 I HN 0.385 nan 8.210 nan 0.000 0.446 564 K N 5.385 125.755 120.400 -0.051 0.000 2.551 564 K HA 0.759 5.079 4.320 -0.000 0.000 0.269 564 K C -1.880 174.767 176.600 0.078 0.000 0.949 564 K CA -0.675 55.625 56.287 0.022 0.000 0.849 564 K CB 2.717 35.231 32.500 0.024 0.000 1.411 564 K HN 0.451 nan 8.250 nan 0.000 0.432 565 V N -1.358 118.599 119.914 0.070 0.000 3.001 565 V HA 0.989 5.109 4.120 -0.000 0.000 0.314 565 V C -1.283 174.933 176.094 0.203 0.000 1.099 565 V CA -0.462 61.892 62.300 0.090 0.000 0.989 565 V CB 1.524 33.240 31.823 -0.178 0.000 1.040 565 V HN 1.025 nan 8.190 nan 0.000 0.434 566 A N 2.714 125.702 122.820 0.279 0.000 2.455 566 A HA 0.805 5.125 4.320 -0.000 0.000 0.300 566 A C -0.388 177.356 177.584 0.267 0.000 1.040 566 A CA -0.630 51.562 52.037 0.259 0.000 0.697 566 A CB 1.294 20.475 19.000 0.301 0.000 1.265 566 A HN 1.408 nan 8.150 nan 0.000 0.407 567 N N 1.477 120.318 118.700 0.236 0.000 2.327 567 N HA 0.399 5.138 4.740 -0.000 0.000 0.257 567 N C 1.180 176.709 175.510 0.032 0.000 1.281 567 N CA 0.117 53.302 53.050 0.225 0.000 0.942 567 N CB 0.307 38.945 38.487 0.252 0.000 1.199 567 N HN 0.712 nan 8.380 nan 0.000 0.532 568 A N -0.799 121.982 122.820 -0.065 0.000 2.024 568 A HA -0.006 4.314 4.320 -0.000 0.000 0.220 568 A C 1.891 179.447 177.584 -0.048 0.000 1.164 568 A CA 1.971 53.931 52.037 -0.129 0.000 0.643 568 A CB -1.303 17.593 19.000 -0.173 0.000 0.806 568 A HN 0.887 nan 8.150 nan 0.000 0.451 569 A N -2.020 120.801 122.820 0.001 0.000 2.307 569 A HA 0.439 4.759 4.320 -0.000 0.000 0.218 569 A C 1.694 179.293 177.584 0.025 0.000 1.228 569 A CA 1.057 53.101 52.037 0.011 0.000 0.857 569 A CB -0.876 18.137 19.000 0.021 0.000 0.897 569 A HN 1.854 nan 8.150 nan 0.000 0.495 570 G N -1.243 107.580 108.800 0.039 0.000 2.157 570 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.248 570 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.248 570 G C 0.361 175.302 174.900 0.068 0.000 0.979 570 G CA 0.409 45.544 45.100 0.058 0.000 0.650 570 G HN 0.575 nan 8.290 nan 0.000 0.529 571 T N 1.515 116.113 114.554 0.075 0.000 2.814 571 T HA 0.605 4.955 4.350 -0.000 0.000 0.297 571 T C 0.718 175.473 174.700 0.092 0.000 0.956 571 T CA 0.631 62.773 62.100 0.071 0.000 1.123 571 T CB 1.469 70.377 68.868 0.066 0.000 0.902 571 T HN 1.238 nan 8.240 nan 0.000 0.528 572 A N 3.361 126.219 122.820 0.062 0.000 2.293 572 A HA 0.702 5.022 4.320 -0.000 0.000 0.302 572 A C 0.774 178.394 177.584 0.061 0.000 1.119 572 A CA -0.750 51.325 52.037 0.062 0.000 0.823 572 A CB 0.489 19.489 19.000 -0.001 0.000 1.097 572 A HN 0.869 nan 8.150 nan 0.000 0.491 573 S N 1.508 117.254 115.700 0.076 0.000 2.694 573 S HA 0.377 4.847 4.470 -0.000 0.000 0.278 573 S C 0.291 174.919 174.600 0.047 0.000 1.152 573 S CA -0.551 57.696 58.200 0.077 0.000 1.010 573 S CB 0.242 63.512 63.200 0.115 0.000 1.104 573 S HN 0.917 nan 8.310 nan 0.000 0.547 574 N N -0.247 118.484 118.700 0.052 0.000 2.347 574 N HA 0.211 4.951 4.740 -0.000 0.000 0.253 574 N C -0.576 174.976 175.510 0.070 0.000 1.274 574 N CA -0.528 52.550 53.050 0.047 0.000 0.941 574 N CB -0.006 38.511 38.487 0.049 0.000 1.200 574 N HN 0.442 nan 8.380 nan 0.000 0.514 575 V N 0.323 120.274 119.914 0.062 0.000 2.539 575 V HA 0.190 4.310 4.120 -0.000 0.000 0.292 575 V C -0.933 175.237 176.094 0.126 0.000 1.045 575 V CA -0.602 61.744 62.300 0.077 0.000 0.945 575 V CB 0.384 32.232 31.823 0.041 0.000 0.993 575 V HN 0.645 nan 8.190 nan 0.000 0.464 576 Y N 4.695 125.003 120.300 0.012 0.000 2.328 576 Y HA 0.469 5.019 4.550 -0.000 0.000 0.336 576 Y C 0.015 175.943 175.900 0.046 0.000 0.960 576 Y CA -0.971 57.144 58.100 0.024 0.000 1.134 576 Y CB 1.059 39.520 38.460 0.002 0.000 1.166 576 Y HN 0.835 nan 8.280 nan 0.000 0.464 577 D N 2.350 122.727 120.400 -0.037 0.000 2.442 577 D HA 0.240 4.879 4.640 -0.000 0.000 0.254 577 D C -0.204 176.141 176.300 0.076 0.000 1.069 577 D CA -0.810 53.220 54.000 0.050 0.000 1.017 577 D CB 1.404 42.191 40.800 -0.021 0.000 1.172 577 D HN 0.584 nan 8.370 nan 0.000 0.561 578 N N -2.143 116.623 118.700 0.110 0.000 2.901 578 N HA -0.214 4.526 4.740 -0.000 0.000 0.248 578 N C -1.261 174.338 175.510 0.148 0.000 1.044 578 N CA 0.133 53.237 53.050 0.091 0.000 0.847 578 N CB -1.983 36.517 38.487 0.023 0.000 1.127 578 N HN 0.435 nan 8.380 nan 0.000 0.562 579 F N 2.003 122.053 119.950 0.167 0.000 2.467 579 F HA 0.329 4.856 4.527 -0.000 0.000 0.362 579 F C 0.758 176.691 175.800 0.221 0.000 1.090 579 F CA -0.030 58.090 58.000 0.201 0.000 1.202 579 F CB 0.610 39.754 39.000 0.241 0.000 1.113 579 F HN 0.124 nan 8.300 nan 0.000 0.541 580 E N 5.237 125.061 120.200 -0.627 0.000 2.151 580 E HA 0.410 4.760 4.350 -0.000 0.000 0.275 580 E C -1.585 174.851 176.600 -0.274 0.000 0.936 580 E CA -0.804 55.440 56.400 -0.260 0.000 0.777 580 E CB 1.516 31.093 29.700 -0.204 0.000 1.108 580 E HN 0.481 nan 8.360 nan 0.000 0.401 581 V N 6.441 126.444 119.914 0.148 0.000 2.364 581 V HA 0.213 4.333 4.120 -0.000 0.000 0.272 581 V C 0.471 176.618 176.094 0.089 0.000 1.036 581 V CA -0.455 61.952 62.300 0.179 0.000 0.880 581 V CB 0.844 32.797 31.823 0.217 0.000 0.991 581 V HN 0.709 nan 8.190 nan 0.000 0.460 582 L N 3.435 124.678 121.223 0.033 0.000 2.472 582 L HA 0.225 4.565 4.340 -0.000 0.000 0.260 582 L C 1.499 178.386 176.870 0.029 0.000 1.209 582 L CA 0.043 54.893 54.840 0.016 0.000 0.817 582 L CB 0.849 42.904 42.059 -0.006 0.000 1.106 582 L HN 0.613 nan 8.230 nan 0.000 0.479 583 S N -0.171 115.542 115.700 0.022 0.000 2.527 583 S HA 0.253 4.722 4.470 -0.000 0.000 0.222 583 S C 0.424 175.030 174.600 0.010 0.000 0.985 583 S CA 0.524 58.737 58.200 0.021 0.000 0.921 583 S CB 0.226 63.436 63.200 0.017 0.000 0.772 583 S HN 0.921 nan 8.310 nan 0.000 0.529 584 G N 0.462 109.265 108.800 0.006 0.000 2.345 584 G HA2 0.140 4.100 3.960 -0.000 0.000 0.285 584 G HA3 0.140 4.100 3.960 -0.000 0.000 0.285 584 G C -2.247 172.653 174.900 -0.000 0.000 1.297 584 G CA -0.969 44.132 45.100 0.001 0.000 0.875 584 G HN 0.045 nan 8.290 nan 0.000 0.506 585 D N 0.967 121.367 120.400 -0.001 0.000 2.423 585 D HA 0.312 4.952 4.640 -0.000 0.000 0.238 585 D C 0.126 176.427 176.300 0.002 0.000 1.142 585 D CA 0.571 54.569 54.000 -0.004 0.000 0.884 585 D CB 0.796 41.595 40.800 -0.003 0.000 1.199 585 D HN 0.292 nan 8.370 nan 0.000 0.438 586 Q N 0.352 120.150 119.800 -0.002 0.000 2.301 586 Q HA 0.567 4.907 4.340 -0.000 0.000 0.267 586 Q C -0.187 175.833 176.000 0.032 0.000 1.035 586 Q CA -0.988 54.824 55.803 0.015 0.000 0.856 586 Q CB 2.305 31.044 28.738 0.002 0.000 1.337 586 Q HN 0.340 nan 8.270 nan 0.000 0.450 587 V N -2.313 117.644 119.914 0.072 0.000 3.074 587 V HA 0.727 4.847 4.120 -0.000 0.000 0.314 587 V C -0.373 175.813 176.094 0.154 0.000 1.117 587 V CA -0.947 61.418 62.300 0.108 0.000 1.014 587 V CB 2.002 33.894 31.823 0.115 0.000 1.057 587 V HN 0.683 nan 8.190 nan 0.000 0.438 588 S N 1.193 117.015 115.700 0.203 0.000 2.422 588 S HA 0.734 5.204 4.470 -0.000 0.000 0.308 588 S C -0.707 174.033 174.600 0.234 0.000 1.097 588 S CA -0.376 57.980 58.200 0.259 0.000 1.099 588 S CB 0.669 64.109 63.200 0.399 0.000 0.976 588 S HN 0.821 nan 8.310 nan 0.000 0.471 589 V N 6.007 126.056 119.914 0.226 0.000 2.555 589 V HA 0.528 4.648 4.120 -0.000 0.000 0.302 589 V C 0.164 176.319 176.094 0.102 0.000 1.038 589 V CA -0.987 61.364 62.300 0.085 0.000 0.887 589 V CB 1.778 33.556 31.823 -0.073 0.000 0.991 589 V HN 0.835 nan 8.190 nan 0.000 0.434 590 R N 3.448 123.947 120.500 -0.002 0.000 2.221 590 R HA 0.486 4.826 4.340 -0.000 0.000 0.327 590 R C -1.510 174.747 176.300 -0.072 0.000 1.033 590 R CA -0.287 55.872 56.100 0.098 0.000 0.887 590 R CB 0.429 30.802 30.300 0.123 0.000 1.057 590 R HN 0.495 nan 8.270 nan 0.000 0.455 591 F N 4.064 124.038 119.950 0.039 0.000 2.420 591 F HA 0.391 4.918 4.527 -0.000 0.000 0.342 591 F C -0.219 175.635 175.800 0.089 0.000 1.113 591 F CA -0.725 57.294 58.000 0.031 0.000 1.059 591 F CB 1.906 40.950 39.000 0.073 0.000 1.128 591 F HN 0.087 nan 8.300 nan 0.000 0.475 592 V N 4.201 124.185 119.914 0.116 0.000 2.525 592 V HA 0.453 4.573 4.120 -0.000 0.000 0.299 592 V C -0.965 175.028 176.094 -0.169 0.000 1.034 592 V CA -0.864 61.374 62.300 -0.103 0.000 0.863 592 V CB 1.909 33.487 31.823 -0.409 0.000 0.999 592 V HN 0.529 nan 8.190 nan 0.000 0.423 593 V N 5.875 125.611 119.914 -0.297 0.000 2.378 593 V HA 0.526 4.645 4.120 -0.000 0.000 0.288 593 V C -0.200 175.807 176.094 -0.146 0.000 1.016 593 V CA -0.456 61.583 62.300 -0.434 0.000 0.840 593 V CB 1.601 32.755 31.823 -1.117 0.000 0.994 593 V HN 0.932 nan 8.190 nan 0.000 0.431 594 N N 6.013 124.670 118.700 -0.071 0.000 2.518 594 N HA 0.258 4.998 4.740 -0.000 0.000 0.283 594 N C -0.171 175.363 175.510 0.039 0.000 1.119 594 N CA -0.142 52.907 53.050 -0.002 0.000 0.983 594 N CB 0.646 39.138 38.487 0.008 0.000 1.139 594 N HN 0.795 nan 8.380 nan 0.000 0.465 595 N N -0.604 118.099 118.700 0.004 0.000 2.688 595 N HA -0.197 4.543 4.740 -0.000 0.000 0.258 595 N C -0.962 174.494 175.510 -0.089 0.000 1.016 595 N CA 0.425 53.454 53.050 -0.035 0.000 0.747 595 N CB -1.348 37.141 38.487 0.002 0.000 0.895 595 N HN 0.640 nan 8.380 nan 0.000 0.543 596 A N 0.505 123.232 122.820 -0.154 0.000 2.511 596 A HA 0.497 4.817 4.320 -0.000 0.000 0.340 596 A C 0.791 178.186 177.584 -0.315 0.000 1.396 596 A CA -0.212 51.541 52.037 -0.474 0.000 0.887 596 A CB 0.416 19.053 19.000 -0.606 0.000 1.145 596 A HN 0.381 nan 8.150 nan 0.000 0.497 597 T N 0.765 115.136 114.554 -0.305 0.000 2.817 597 T HA 0.598 4.948 4.350 -0.000 0.000 0.293 597 T C 0.453 175.159 174.700 0.009 0.000 0.964 597 T CA 0.274 62.334 62.100 -0.067 0.000 1.085 597 T CB 0.769 69.625 68.868 -0.020 0.000 0.921 597 T HN 0.807 nan 8.240 nan 0.000 0.502 598 T N 0.685 115.412 114.554 0.288 0.000 2.804 598 T HA 0.852 5.202 4.350 -0.000 0.000 0.272 598 T C -0.020 174.762 174.700 0.137 0.000 0.986 598 T CA -0.803 61.384 62.100 0.145 0.000 0.999 598 T CB 1.208 70.200 68.868 0.207 0.000 1.307 598 T HN 1.101 nan 8.240 nan 0.000 0.586 599 A N 0.127 122.995 122.820 0.080 0.000 2.350 599 A HA 0.751 5.071 4.320 -0.000 0.000 0.318 599 A C -0.233 177.383 177.584 0.054 0.000 1.132 599 A CA -1.119 50.952 52.037 0.056 0.000 0.811 599 A CB 0.526 19.548 19.000 0.037 0.000 1.313 599 A HN 0.901 nan 8.150 nan 0.000 0.454 600 L N 1.087 122.330 121.223 0.033 0.000 2.540 600 L HA 0.312 4.652 4.340 -0.000 0.000 0.276 600 L C 1.490 178.385 176.870 0.042 0.000 1.212 600 L CA 1.519 56.376 54.840 0.029 0.000 0.893 600 L CB 0.004 42.070 42.059 0.012 0.000 1.138 600 L HN 1.335 nan 8.230 nan 0.000 0.491 601 G N 2.232 111.064 108.800 0.054 0.000 2.147 601 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 601 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 601 G C -0.062 174.883 174.900 0.076 0.000 1.005 601 G CA 0.262 45.400 45.100 0.063 0.000 0.713 601 G HN 0.671 nan 8.290 nan 0.000 0.515 602 Q N -0.050 119.802 119.800 0.087 0.000 2.292 602 Q HA 0.535 4.875 4.340 -0.000 0.000 0.270 602 Q C -0.716 175.338 176.000 0.090 0.000 1.024 602 Q CA -0.876 54.975 55.803 0.079 0.000 0.768 602 Q CB 0.918 29.684 28.738 0.047 0.000 1.250 602 Q HN 0.320 nan 8.270 nan 0.000 0.447 603 N N 1.532 120.266 118.700 0.057 0.000 2.453 603 N HA 0.481 5.221 4.740 -0.000 0.000 0.290 603 N C -1.033 174.270 175.510 -0.344 0.000 1.250 603 N CA -0.457 52.517 53.050 -0.127 0.000 0.815 603 N CB 2.090 40.520 38.487 -0.095 0.000 1.381 603 N HN 0.292 nan 8.380 nan 0.000 0.510 604 V N 1.282 120.671 119.914 -0.875 0.000 2.617 604 V HA 0.449 4.569 4.120 -0.000 0.000 0.298 604 V C -0.854 174.930 176.094 -0.517 0.000 1.048 604 V CA -0.201 61.705 62.300 -0.657 0.000 0.964 604 V CB 0.384 31.525 31.823 -1.137 0.000 1.004 604 V HN 0.540 nan 8.190 nan 0.000 0.466 605 Y N 2.592 122.804 120.300 -0.146 0.000 2.665 605 Y HA 0.781 5.331 4.550 -0.000 0.000 0.336 605 Y C -0.461 175.395 175.900 -0.074 0.000 1.085 605 Y CA -1.078 56.936 58.100 -0.143 0.000 1.096 605 Y CB 1.836 40.187 38.460 -0.182 0.000 1.301 605 Y HN 0.527 nan 8.280 nan 0.000 0.493 606 L N 0.433 121.634 121.223 -0.037 0.000 2.381 606 L HA 0.875 5.215 4.340 -0.000 0.000 0.268 606 L C -0.682 176.015 176.870 -0.287 0.000 0.997 606 L CA 0.004 54.649 54.840 -0.326 0.000 0.818 606 L CB 2.269 44.015 42.059 -0.521 0.000 1.310 606 L HN 0.695 nan 8.230 nan 0.000 0.416 607 T N 2.198 116.575 114.554 -0.295 0.000 2.821 607 T HA 0.919 5.269 4.350 -0.000 0.000 0.306 607 T C -0.786 173.688 174.700 -0.376 0.000 1.313 607 T CA 0.029 61.976 62.100 -0.254 0.000 1.012 607 T CB 1.509 70.307 68.868 -0.117 0.000 1.298 607 T HN 1.178 nan 8.240 nan 0.000 0.502 608 G N 0.298 108.675 108.800 -0.706 0.000 2.428 608 G HA2 0.391 4.351 3.960 -0.000 0.000 0.304 608 G HA3 0.391 4.351 3.960 -0.000 0.000 0.304 608 G C 0.762 174.857 174.900 -1.343 0.000 1.303 608 G CA 0.441 44.797 45.100 -1.239 0.000 0.825 608 G HN 1.238 nan 8.290 nan 0.000 0.484 609 S N -1.562 113.579 115.700 -0.932 0.000 2.528 609 S HA 0.122 4.591 4.470 -0.000 0.000 0.244 609 S C 0.990 175.488 174.600 -0.170 0.000 0.982 609 S CA 1.495 59.483 58.200 -0.352 0.000 0.953 609 S CB -1.074 62.185 63.200 0.100 0.000 0.754 609 S HN 1.890 nan 8.310 nan 0.000 0.529 610 V N -1.743 118.055 119.914 -0.193 0.000 3.074 610 V HA 0.689 4.809 4.120 -0.000 0.000 0.314 610 V C 1.273 177.310 176.094 -0.096 0.000 1.117 610 V CA -0.461 61.786 62.300 -0.088 0.000 1.014 610 V CB 1.128 32.925 31.823 -0.044 0.000 1.057 610 V HN 0.211 nan 8.190 nan 0.000 0.438 611 S N 0.178 115.854 115.700 -0.040 0.000 2.383 611 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 611 S C 1.337 175.911 174.600 -0.043 0.000 1.030 611 S CA 1.783 59.965 58.200 -0.031 0.000 1.002 611 S CB -0.697 62.510 63.200 0.011 0.000 0.829 611 S HN 0.896 nan 8.310 nan 0.000 0.467 612 E N 0.674 120.853 120.200 -0.034 0.000 2.331 612 E HA 0.057 4.407 4.350 -0.000 0.000 0.199 612 E C 1.053 177.613 176.600 -0.066 0.000 1.008 612 E CA 0.552 56.934 56.400 -0.030 0.000 0.843 612 E CB -0.204 29.495 29.700 -0.001 0.000 0.761 612 E HN 0.382 nan 8.360 nan 0.000 0.507 613 L N -1.654 119.500 121.223 -0.115 0.000 2.906 613 L HA 0.358 4.698 4.340 -0.000 0.000 0.255 613 L C 1.250 178.005 176.870 -0.191 0.000 1.166 613 L CA 0.719 55.447 54.840 -0.186 0.000 0.977 613 L CB 0.687 42.590 42.059 -0.261 0.000 1.313 613 L HN 0.182 nan 8.230 nan 0.000 0.549 614 G N -0.444 108.276 108.800 -0.134 0.000 2.194 614 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.236 614 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.236 614 G C 0.623 175.470 174.900 -0.088 0.000 0.987 614 G CA 0.044 45.086 45.100 -0.098 0.000 0.635 614 G HN 0.200 nan 8.290 nan 0.000 0.520 615 N N -1.032 117.565 118.700 -0.171 0.000 2.738 615 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 615 N C 0.895 176.405 175.510 -0.001 0.000 1.047 615 N CA 1.849 54.811 53.050 -0.146 0.000 0.707 615 N CB -1.698 36.784 38.487 -0.009 0.000 0.937 615 N HN 1.293 nan 8.380 nan 0.000 0.545 616 W N -3.028 118.334 121.300 0.103 0.000 2.323 616 W HA -0.285 4.375 4.660 -0.000 0.000 0.261 616 W C 0.463 177.098 176.519 0.193 0.000 1.029 616 W CA 0.605 58.065 57.345 0.191 0.000 0.499 616 W CB -1.407 28.147 29.460 0.157 0.000 2.045 616 W HN 0.325 nan 8.180 nan 0.000 1.374 617 D N 0.634 121.171 120.400 0.229 0.000 2.316 617 D HA 0.181 4.821 4.640 -0.000 0.000 0.245 617 D C -0.865 175.475 176.300 0.066 0.000 1.171 617 D CA -2.072 52.022 54.000 0.157 0.000 0.856 617 D CB 1.286 42.135 40.800 0.081 0.000 1.090 617 D HN -0.191 nan 8.370 nan 0.000 0.476 618 P HA -0.008 nan 4.420 nan 0.000 0.221 618 P C 0.837 178.048 177.300 -0.148 0.000 1.150 618 P CA 0.673 63.712 63.100 -0.102 0.000 0.800 618 P CB 0.169 31.805 31.700 -0.107 0.000 0.787 619 A N -0.029 122.746 122.820 -0.075 0.000 2.119 619 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 619 A C 1.701 179.232 177.584 -0.089 0.000 1.153 619 A CA 1.183 53.167 52.037 -0.088 0.000 0.692 619 A CB -0.754 18.220 19.000 -0.042 0.000 0.799 619 A HN 0.183 nan 8.150 nan 0.000 0.458 620 K N -0.130 120.226 120.400 -0.073 0.000 2.514 620 K HA 0.429 4.748 4.320 -0.000 0.000 0.207 620 K C 0.219 176.771 176.600 -0.079 0.000 1.035 620 K CA 0.083 56.333 56.287 -0.062 0.000 1.113 620 K CB 0.688 33.163 32.500 -0.041 0.000 0.846 620 K HN 0.365 nan 8.250 nan 0.000 0.491 621 A N 1.289 124.032 122.820 -0.127 0.000 2.425 621 A HA 0.236 4.556 4.320 -0.000 0.000 0.242 621 A C 0.144 177.723 177.584 -0.009 0.000 1.077 621 A CA -0.307 51.661 52.037 -0.114 0.000 0.781 621 A CB 0.150 19.037 19.000 -0.189 0.000 1.020 621 A HN 0.130 nan 8.150 nan 0.000 0.494 622 I N 1.526 122.075 120.570 -0.035 0.000 2.416 622 I HA 0.561 4.731 4.170 -0.000 0.000 0.288 622 I C 1.013 177.060 176.117 -0.117 0.000 1.051 622 I CA 0.974 62.231 61.300 -0.070 0.000 1.375 622 I CB -0.375 37.532 38.000 -0.155 0.000 1.407 622 I HN 1.003 nan 8.210 nan 0.000 0.516 623 G N 7.914 116.558 108.800 -0.260 0.000 2.362 623 G HA2 0.208 4.168 3.960 -0.000 0.000 0.288 623 G HA3 0.208 4.168 3.960 -0.000 0.000 0.288 623 G C -3.266 171.428 174.900 -0.343 0.000 1.305 623 G CA -0.854 43.851 45.100 -0.657 0.000 0.910 623 G HN 0.381 nan 8.290 nan 0.000 0.518 624 P HA 0.439 nan 4.420 nan 0.000 0.275 624 P C 0.289 177.246 177.300 -0.571 0.000 1.228 624 P CA -0.217 62.361 63.100 -0.869 0.000 0.786 624 P CB 0.494 31.925 31.700 -0.448 0.000 0.927 625 M N 1.536 120.867 119.600 -0.448 0.000 2.232 625 M HA 0.102 4.582 4.480 -0.000 0.000 0.321 625 M C 0.158 176.595 176.300 0.228 0.000 1.101 625 M CA 0.441 55.659 55.300 -0.136 0.000 1.181 625 M CB -0.101 32.567 32.600 0.113 0.000 1.432 625 M HN 0.266 nan 8.290 nan 0.000 0.457 626 Y N 1.718 122.052 120.300 0.057 0.000 2.307 626 Y HA 0.190 4.740 4.550 -0.000 0.000 0.324 626 Y C 0.804 176.519 175.900 -0.309 0.000 1.238 626 Y CA -1.108 56.845 58.100 -0.246 0.000 1.280 626 Y CB 0.391 38.448 38.460 -0.672 0.000 1.248 626 Y HN 0.695 nan 8.280 nan 0.000 0.508 627 N N -0.929 117.717 118.700 -0.090 0.000 2.261 627 N HA -0.001 4.738 4.740 -0.000 0.000 0.241 627 N C 0.035 175.520 175.510 -0.042 0.000 1.374 627 N CA -0.118 52.824 53.050 -0.179 0.000 0.802 627 N CB -0.116 37.870 38.487 -0.835 0.000 1.339 627 N HN 0.721 nan 8.380 nan 0.000 0.498 628 Q N -0.726 119.099 119.800 0.042 0.000 2.580 628 Q HA 0.212 4.552 4.340 -0.000 0.000 0.239 628 Q C 0.603 176.610 176.000 0.012 0.000 0.873 628 Q CA 0.481 56.283 55.803 -0.001 0.000 0.951 628 Q CB -0.038 28.664 28.738 -0.060 0.000 1.172 628 Q HN -0.009 nan 8.270 nan 0.000 0.616 629 V N 1.847 121.785 119.914 0.041 0.000 2.261 629 V HA -0.136 3.983 4.120 -0.000 0.000 0.235 629 V C 2.523 178.491 176.094 -0.211 0.000 1.044 629 V CA 1.546 63.812 62.300 -0.057 0.000 1.007 629 V CB -0.658 31.139 31.823 -0.044 0.000 0.647 629 V HN 0.150 nan 8.190 nan 0.000 0.462 630 V N -1.595 118.064 119.914 -0.425 0.000 2.295 630 V HA -0.149 3.970 4.120 -0.000 0.000 0.246 630 V C 0.730 176.274 176.094 -0.917 0.000 1.049 630 V CA 1.594 63.360 62.300 -0.890 0.000 1.024 630 V CB -0.657 30.384 31.823 -1.304 0.000 0.648 630 V HN 0.514 nan 8.190 nan 0.000 0.447 631 Y N -1.220 118.751 120.300 -0.548 0.000 2.499 631 Y HA 0.674 5.224 4.550 -0.000 0.000 0.347 631 Y C -0.141 175.743 175.900 -0.026 0.000 0.987 631 Y CA -1.387 56.593 58.100 -0.200 0.000 1.044 631 Y CB 1.464 39.857 38.460 -0.112 0.000 1.245 631 Y HN 0.043 nan 8.280 nan 0.000 0.461 632 Q N 1.199 121.047 119.800 0.080 0.000 2.245 632 Q HA 0.288 4.628 4.340 -0.000 0.000 0.256 632 Q C -1.115 174.891 176.000 0.011 0.000 0.942 632 Q CA -0.879 54.943 55.803 0.033 0.000 0.896 632 Q CB 1.178 29.918 28.738 0.003 0.000 1.272 632 Q HN 0.597 nan 8.270 nan 0.000 0.442 633 Y N 4.246 124.424 120.300 -0.203 0.000 2.788 633 Y HA 0.022 4.572 4.550 -0.000 0.000 0.341 633 Y C -1.329 174.507 175.900 -0.108 0.000 1.258 633 Y CA -1.075 56.847 58.100 -0.297 0.000 1.503 633 Y CB 0.609 38.843 38.460 -0.376 0.000 1.325 633 Y HN 0.581 nan 8.280 nan 0.000 0.614 634 P HA 0.050 nan 4.420 nan 0.000 0.258 634 P C -1.231 175.875 177.300 -0.322 0.000 1.559 634 P CA 0.332 62.767 63.100 -1.109 0.000 0.855 634 P CB -0.251 30.990 31.700 -0.765 0.000 1.594 635 N N 0.372 118.959 118.700 -0.188 0.000 2.456 635 N HA 0.317 5.057 4.740 -0.000 0.000 0.296 635 N C -0.714 174.840 175.510 0.073 0.000 1.102 635 N CA -0.068 53.004 53.050 0.037 0.000 0.924 635 N CB 0.846 39.374 38.487 0.068 0.000 1.186 635 N HN 0.033 nan 8.380 nan 0.000 0.492 636 W N 1.159 122.440 121.300 -0.032 0.000 2.864 636 W HA 0.454 5.114 4.660 -0.000 0.000 0.343 636 W C -0.371 176.217 176.519 0.116 0.000 1.109 636 W CA -0.703 56.678 57.345 0.060 0.000 1.192 636 W CB 0.520 29.962 29.460 -0.031 0.000 1.426 636 W HN 0.435 nan 8.180 nan 0.000 0.529 637 Y N -0.435 120.024 120.300 0.264 0.000 2.638 637 Y HA 0.852 5.402 4.550 -0.000 0.000 0.339 637 Y C -1.826 174.294 175.900 0.367 0.000 1.084 637 Y CA -2.840 55.380 58.100 0.201 0.000 1.068 637 Y CB 1.740 40.254 38.460 0.090 0.000 1.294 637 Y HN 0.463 nan 8.280 nan 0.000 0.480 638 Y N 0.298 120.722 120.300 0.206 0.000 2.380 638 Y HA 0.262 4.812 4.550 -0.000 0.000 0.320 638 Y C -1.999 174.051 175.900 0.249 0.000 1.272 638 Y CA -1.392 56.746 58.100 0.064 0.000 1.165 638 Y CB 1.402 39.825 38.460 -0.063 0.000 1.319 638 Y HN 0.787 nan 8.280 nan 0.000 0.443 639 D N 4.527 124.870 120.400 -0.096 0.000 2.313 639 D HA 0.512 5.152 4.640 -0.000 0.000 0.239 639 D C -0.785 175.598 176.300 0.139 0.000 1.142 639 D CA 0.217 54.291 54.000 0.124 0.000 0.847 639 D CB 1.700 42.616 40.800 0.193 0.000 1.082 639 D HN 0.206 nan 8.370 nan 0.000 0.480 640 V N 1.277 121.377 119.914 0.310 0.000 2.735 640 V HA 0.331 4.451 4.120 -0.000 0.000 0.310 640 V C 0.310 176.560 176.094 0.260 0.000 1.061 640 V CA -0.911 61.556 62.300 0.279 0.000 0.913 640 V CB 2.180 34.126 31.823 0.206 0.000 1.005 640 V HN 0.451 nan 8.190 nan 0.000 0.428 641 S N 2.922 118.730 115.700 0.179 0.000 2.523 641 S HA 0.685 5.155 4.470 -0.000 0.000 0.275 641 S C -0.505 174.176 174.600 0.135 0.000 1.281 641 S CA -0.365 57.918 58.200 0.139 0.000 1.050 641 S CB 0.632 63.876 63.200 0.073 0.000 0.937 641 S HN 1.095 nan 8.310 nan 0.000 0.492 642 V N 2.684 122.690 119.914 0.153 0.000 3.114 642 V HA 0.765 4.885 4.120 -0.000 0.000 0.308 642 V C -3.007 173.140 176.094 0.089 0.000 1.168 642 V CA -2.910 59.476 62.300 0.142 0.000 1.015 642 V CB 1.509 33.489 31.823 0.263 0.000 1.050 642 V HN 0.617 nan 8.190 nan 0.000 0.433 643 P HA 0.264 nan 4.420 nan 0.000 0.267 643 P C 0.011 177.315 177.300 0.007 0.000 1.209 643 P CA 0.619 63.730 63.100 0.019 0.000 0.763 643 P CB 0.379 32.081 31.700 0.004 0.000 0.816 644 A N 3.829 126.655 122.820 0.011 0.000 2.511 644 A HA 0.430 4.750 4.320 -0.000 0.000 0.242 644 A C 1.642 179.215 177.584 -0.017 0.000 1.069 644 A CA 0.563 52.604 52.037 0.007 0.000 0.763 644 A CB -1.140 17.869 19.000 0.016 0.000 1.001 644 A HN 0.839 nan 8.150 nan 0.000 0.498 645 G N 1.529 110.310 108.800 -0.031 0.000 2.205 645 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.269 645 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.269 645 G C 0.336 175.191 174.900 -0.075 0.000 0.977 645 G CA 1.028 46.100 45.100 -0.046 0.000 0.652 645 G HN 0.848 nan 8.290 nan 0.000 0.539 646 K N 0.471 120.811 120.400 -0.100 0.000 2.144 646 K HA 0.443 4.763 4.320 -0.000 0.000 0.270 646 K C -0.063 176.423 176.600 -0.190 0.000 1.005 646 K CA -0.250 55.974 56.287 -0.105 0.000 0.932 646 K CB 0.986 33.445 32.500 -0.069 0.000 1.021 646 K HN 0.064 nan 8.250 nan 0.000 0.462 647 T N 3.057 117.538 114.554 -0.121 0.000 2.743 647 T HA 0.396 4.746 4.350 -0.000 0.000 0.293 647 T C 0.141 174.802 174.700 -0.064 0.000 0.945 647 T CA -0.322 61.707 62.100 -0.118 0.000 1.030 647 T CB 0.069 68.917 68.868 -0.032 0.000 0.912 647 T HN 0.314 nan 8.240 nan 0.000 0.483 648 I N 2.764 123.294 120.570 -0.067 0.000 2.608 648 I HA 0.408 4.578 4.170 -0.000 0.000 0.295 648 I C 0.161 176.506 176.117 0.381 0.000 1.049 648 I CA -0.864 60.504 61.300 0.113 0.000 1.063 648 I CB 2.371 40.416 38.000 0.074 0.000 1.248 648 I HN 0.440 nan 8.210 nan 0.000 0.424 649 E N 5.273 125.685 120.200 0.353 0.000 2.183 649 E HA 0.625 4.975 4.350 -0.000 0.000 0.271 649 E C -1.462 175.418 176.600 0.466 0.000 0.919 649 E CA -0.530 56.130 56.400 0.433 0.000 0.781 649 E CB 2.312 32.256 29.700 0.406 0.000 1.140 649 E HN 0.413 nan 8.360 nan 0.000 0.402 650 F N 0.263 120.384 119.950 0.284 0.000 2.754 650 F HA 0.751 5.278 4.527 -0.000 0.000 0.320 650 F C -1.234 174.769 175.800 0.338 0.000 1.156 650 F CA -1.199 56.885 58.000 0.141 0.000 0.950 650 F CB 1.423 40.427 39.000 0.007 0.000 1.388 650 F HN 0.202 nan 8.300 nan 0.000 0.485 651 K N 0.230 120.839 120.400 0.347 0.000 2.578 651 K HA 0.587 4.907 4.320 -0.000 0.000 0.269 651 K C -2.175 174.435 176.600 0.016 0.000 0.941 651 K CA -0.478 55.987 56.287 0.297 0.000 0.847 651 K CB 1.942 34.756 32.500 0.523 0.000 1.397 651 K HN 0.583 nan 8.250 nan 0.000 0.422 652 F N 3.210 123.264 119.950 0.173 0.000 2.403 652 F HA 0.626 5.153 4.527 -0.000 0.000 0.326 652 F C 0.032 175.879 175.800 0.078 0.000 1.081 652 F CA -0.579 57.504 58.000 0.138 0.000 1.041 652 F CB 1.055 40.212 39.000 0.261 0.000 1.234 652 F HN 0.286 nan 8.300 nan 0.000 0.503 653 L N -0.771 120.650 121.223 0.330 0.000 2.469 653 L HA 0.698 5.038 4.340 -0.000 0.000 0.256 653 L C -1.665 175.334 176.870 0.214 0.000 1.006 653 L CA -1.310 53.645 54.840 0.191 0.000 0.832 653 L CB 2.286 44.113 42.059 -0.387 0.000 1.421 653 L HN 0.410 nan 8.230 nan 0.000 0.410 654 K N 1.566 122.053 120.400 0.146 0.000 2.307 654 K HA 0.578 4.897 4.320 -0.000 0.000 0.263 654 K C -1.106 175.500 176.600 0.010 0.000 0.973 654 K CA -0.634 55.665 56.287 0.020 0.000 0.846 654 K CB 2.165 34.622 32.500 -0.071 0.000 1.100 654 K HN 0.474 nan 8.250 nan 0.000 0.438 655 K N 1.872 122.311 120.400 0.064 0.000 2.208 655 K HA 0.293 4.613 4.320 -0.000 0.000 0.247 655 K C -1.000 175.630 176.600 0.051 0.000 0.953 655 K CA -0.821 55.457 56.287 -0.015 0.000 0.837 655 K CB 1.976 34.342 32.500 -0.224 0.000 1.131 655 K HN 0.467 nan 8.250 nan 0.000 0.431 656 Q N 1.336 121.144 119.800 0.013 0.000 2.406 656 Q HA 0.317 4.657 4.340 -0.000 0.000 0.244 656 Q C -0.135 175.873 176.000 0.013 0.000 0.884 656 Q CA 0.010 55.833 55.803 0.033 0.000 0.813 656 Q CB 1.144 29.903 28.738 0.035 0.000 1.368 656 Q HN 0.837 nan 8.270 nan 0.000 0.439 657 G N 2.354 111.165 108.800 0.018 0.000 2.531 657 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.274 657 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.274 657 G C 0.363 175.247 174.900 -0.028 0.000 1.159 657 G CA 0.374 45.476 45.100 0.004 0.000 0.969 657 G HN 1.327 nan 8.290 nan 0.000 0.554 658 S N -0.852 114.832 115.700 -0.026 0.000 2.574 658 S HA 0.524 4.994 4.470 -0.000 0.000 0.242 658 S C 0.431 175.012 174.600 -0.032 0.000 0.982 658 S CA 1.010 59.184 58.200 -0.044 0.000 0.977 658 S CB 0.600 63.782 63.200 -0.031 0.000 0.814 658 S HN 0.901 nan 8.310 nan 0.000 0.464 659 T N 2.175 116.716 114.554 -0.021 0.000 2.733 659 T HA 0.520 4.870 4.350 -0.000 0.000 0.294 659 T C -0.568 174.122 174.700 -0.016 0.000 0.956 659 T CA -0.236 61.862 62.100 -0.003 0.000 0.987 659 T CB 1.375 70.251 68.868 0.012 0.000 0.920 659 T HN 0.220 nan 8.240 nan 0.000 0.470 660 V N 3.988 123.896 119.914 -0.009 0.000 2.732 660 V HA 0.696 4.816 4.120 -0.000 0.000 0.310 660 V C -0.243 175.866 176.094 0.025 0.000 1.053 660 V CA -0.298 61.975 62.300 -0.045 0.000 0.957 660 V CB 2.301 34.052 31.823 -0.120 0.000 1.018 660 V HN 0.947 nan 8.190 nan 0.000 0.452 661 T N 4.762 119.320 114.554 0.005 0.000 2.890 661 T HA 0.388 4.738 4.350 -0.000 0.000 0.295 661 T C -1.088 173.715 174.700 0.171 0.000 0.993 661 T CA -0.192 61.992 62.100 0.140 0.000 0.979 661 T CB 0.647 69.609 68.868 0.156 0.000 0.967 661 T HN 0.600 nan 8.240 nan 0.000 0.441 662 W N 1.855 123.246 121.300 0.153 0.000 2.237 662 W HA 0.418 5.078 4.660 -0.000 0.000 0.335 662 W C 0.997 177.551 176.519 0.058 0.000 1.230 662 W CA -0.692 56.715 57.345 0.104 0.000 1.253 662 W CB 0.429 29.899 29.460 0.018 0.000 1.129 662 W HN 0.588 nan 8.180 nan 0.000 0.590 663 E N 0.613 120.830 120.200 0.028 0.000 2.390 663 E HA 0.322 4.672 4.350 -0.000 0.000 0.261 663 E C 0.548 177.060 176.600 -0.146 0.000 1.076 663 E CA -0.111 55.969 56.400 -0.534 0.000 0.905 663 E CB 0.650 29.892 29.700 -0.763 0.000 0.984 663 E HN 0.613 nan 8.360 nan 0.000 0.427 664 G N 0.601 109.298 108.800 -0.172 0.000 2.522 664 G HA2 0.551 4.511 3.960 -0.000 0.000 0.304 664 G HA3 0.551 4.511 3.960 -0.000 0.000 0.304 664 G C 0.234 175.041 174.900 -0.155 0.000 1.210 664 G CA 0.091 45.136 45.100 -0.092 0.000 0.960 664 G HN 0.849 nan 8.290 nan 0.000 0.497 665 G N -0.685 108.038 108.800 -0.129 0.000 2.488 665 G HA2 0.161 4.121 3.960 -0.000 0.000 0.237 665 G HA3 0.161 4.121 3.960 -0.000 0.000 0.237 665 G C 0.240 175.029 174.900 -0.185 0.000 1.209 665 G CA 0.448 45.458 45.100 -0.150 0.000 0.929 665 G HN 1.935 nan 8.290 nan 0.000 0.578 666 S N 0.521 116.090 115.700 -0.218 0.000 2.664 666 S HA 0.692 5.162 4.470 -0.000 0.000 0.304 666 S C 0.008 174.425 174.600 -0.304 0.000 1.099 666 S CA -0.723 57.345 58.200 -0.220 0.000 1.003 666 S CB 1.603 64.704 63.200 -0.164 0.000 1.092 666 S HN 0.909 nan 8.310 nan 0.000 0.525 667 N N 1.948 120.521 118.700 -0.212 0.000 2.329 667 N HA 0.056 4.796 4.740 -0.000 0.000 0.237 667 N C 0.053 175.362 175.510 -0.334 0.000 1.258 667 N CA 0.433 53.383 53.050 -0.167 0.000 0.866 667 N CB -0.113 38.425 38.487 0.085 0.000 1.102 667 N HN 0.628 nan 8.380 nan 0.000 0.440 668 H N -0.072 118.753 119.070 -0.409 0.000 2.505 668 H HA 0.451 5.007 4.556 -0.000 0.000 0.358 668 H C 0.014 175.117 175.328 -0.374 0.000 1.304 668 H CA 0.164 55.890 56.048 -0.538 0.000 1.393 668 H CB 1.061 30.164 29.762 -1.097 0.000 1.591 668 H HN 0.356 nan 8.280 nan 0.000 0.595 669 T N 1.276 115.896 114.554 0.111 0.000 2.916 669 T HA 0.439 4.789 4.350 -0.000 0.000 0.305 669 T C -1.193 173.869 174.700 0.604 0.000 1.119 669 T CA -0.725 61.592 62.100 0.362 0.000 1.008 669 T CB 1.492 70.484 68.868 0.207 0.000 1.129 669 T HN 0.524 nan 8.240 nan 0.000 0.480 670 F N -0.509 119.666 119.950 0.376 0.000 2.741 670 F HA 0.723 5.250 4.527 -0.000 0.000 0.311 670 F C -1.718 174.182 175.800 0.167 0.000 1.149 670 F CA -0.773 57.381 58.000 0.256 0.000 0.930 670 F CB 0.989 40.135 39.000 0.243 0.000 1.312 670 F HN 0.440 nan 8.300 nan 0.000 0.450 671 T N 2.921 117.300 114.554 -0.291 0.000 2.815 671 T HA 0.764 5.114 4.350 -0.000 0.000 0.289 671 T C -0.074 174.345 174.700 -0.467 0.000 1.000 671 T CA -0.193 61.653 62.100 -0.424 0.000 0.958 671 T CB 1.125 69.921 68.868 -0.119 0.000 0.944 671 T HN 0.949 nan 8.240 nan 0.000 0.442 672 A N 5.616 128.041 122.820 -0.659 0.000 2.425 672 A HA 0.574 4.893 4.320 -0.000 0.000 0.242 672 A C -2.114 175.448 177.584 -0.037 0.000 1.077 672 A CA -1.022 50.888 52.037 -0.213 0.000 0.781 672 A CB -0.303 18.595 19.000 -0.170 0.000 1.020 672 A HN 0.472 nan 8.150 nan 0.000 0.494 673 P HA 0.211 nan 4.420 nan 0.000 0.274 673 P C 0.552 177.872 177.300 0.034 0.000 1.260 673 P CA -0.203 62.929 63.100 0.053 0.000 0.793 673 P CB 0.633 32.381 31.700 0.079 0.000 1.048 674 S N -1.579 114.140 115.700 0.032 0.000 2.458 674 S HA 0.082 4.552 4.470 -0.000 0.000 0.223 674 S C 0.870 175.490 174.600 0.033 0.000 1.019 674 S CA 0.477 58.691 58.200 0.024 0.000 0.937 674 S CB -0.221 62.991 63.200 0.019 0.000 0.788 674 S HN 0.731 nan 8.310 nan 0.000 0.511 675 S N -0.857 114.871 115.700 0.046 0.000 2.643 675 S HA 0.710 5.180 4.470 -0.000 0.000 0.270 675 S C -0.013 174.633 174.600 0.077 0.000 1.166 675 S CA -0.310 57.924 58.200 0.057 0.000 0.815 675 S CB 0.941 64.168 63.200 0.045 0.000 1.139 675 S HN 1.025 nan 8.310 nan 0.000 0.472 676 G N 0.612 109.471 108.800 0.098 0.000 2.750 676 G HA2 0.199 4.159 3.960 -0.000 0.000 0.228 676 G HA3 0.199 4.159 3.960 -0.000 0.000 0.228 676 G C 0.037 175.017 174.900 0.133 0.000 1.367 676 G CA 0.428 45.597 45.100 0.114 0.000 0.871 676 G HN 2.253 nan 8.290 nan 0.000 0.560 677 T N -2.648 111.984 114.554 0.129 0.000 2.870 677 T HA 1.037 5.387 4.350 -0.000 0.000 0.277 677 T C 0.202 174.961 174.700 0.098 0.000 1.000 677 T CA 0.524 62.707 62.100 0.138 0.000 0.982 677 T CB 1.845 70.808 68.868 0.159 0.000 1.249 677 T HN 2.716 nan 8.240 nan 0.000 0.589 678 A N -0.133 122.734 122.820 0.078 0.000 2.597 678 A HA 0.644 4.964 4.320 -0.000 0.000 0.292 678 A C -0.757 176.806 177.584 -0.035 0.000 1.057 678 A CA -0.909 51.149 52.037 0.035 0.000 0.674 678 A CB 1.100 20.134 19.000 0.057 0.000 1.278 678 A HN 0.882 nan 8.150 nan 0.000 0.416 679 T N 1.817 116.334 114.554 -0.061 0.000 2.833 679 T HA 0.544 4.894 4.350 -0.000 0.000 0.297 679 T C -0.536 174.051 174.700 -0.188 0.000 1.015 679 T CA 0.051 62.083 62.100 -0.113 0.000 0.963 679 T CB 0.101 68.957 68.868 -0.020 0.000 0.955 679 T HN 0.449 nan 8.240 nan 0.000 0.449 680 I N 3.797 124.142 120.570 -0.374 0.000 2.307 680 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 680 I C 0.262 176.266 176.117 -0.189 0.000 1.021 680 I CA -0.716 60.365 61.300 -0.365 0.000 1.224 680 I CB 0.639 38.155 38.000 -0.807 0.000 1.376 680 I HN 0.363 nan 8.210 nan 0.000 0.470 681 N N 6.872 125.521 118.700 -0.086 0.000 2.446 681 N HA 0.579 5.319 4.740 -0.000 0.000 0.265 681 N C -0.897 174.605 175.510 -0.013 0.000 0.975 681 N CA -0.229 52.783 53.050 -0.064 0.000 0.928 681 N CB 1.991 40.444 38.487 -0.057 0.000 1.160 681 N HN 0.511 nan 8.380 nan 0.000 0.495 682 V N 1.166 121.063 119.914 -0.027 0.000 3.156 682 V HA 0.703 4.823 4.120 -0.000 0.000 0.310 682 V C -0.826 175.249 176.094 -0.031 0.000 1.234 682 V CA -1.010 61.278 62.300 -0.019 0.000 1.065 682 V CB 2.167 33.936 31.823 -0.090 0.000 1.088 682 V HN 0.467 nan 8.190 nan 0.000 0.451 683 N N 1.180 119.903 118.700 0.039 0.000 2.370 683 N HA 0.280 5.020 4.740 -0.000 0.000 0.303 683 N C -1.027 174.583 175.510 0.166 0.000 1.103 683 N CA -0.305 52.798 53.050 0.087 0.000 0.848 683 N CB 2.049 40.599 38.487 0.105 0.000 1.235 683 N HN 1.021 nan 8.380 nan 0.000 0.496 684 W N 2.759 124.056 121.300 -0.005 0.000 2.469 684 W HA 0.042 4.702 4.660 -0.000 0.000 0.321 684 W C -0.693 175.887 176.519 0.103 0.000 1.415 684 W CA 0.061 57.434 57.345 0.048 0.000 1.308 684 W CB 0.104 29.549 29.460 -0.026 0.000 1.368 684 W HN 0.438 nan 8.180 nan 0.000 0.546 685 Q N 8.557 128.186 119.800 -0.284 0.000 2.314 685 Q HA 0.204 4.544 4.340 -0.000 0.000 0.257 685 Q C -1.828 174.002 176.000 -0.284 0.000 0.975 685 Q CA -1.583 54.106 55.803 -0.189 0.000 0.933 685 Q CB 0.959 29.602 28.738 -0.159 0.000 1.195 685 Q HN 0.228 nan 8.270 nan 0.000 0.426 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.223 63.100 0.206 0.000 0.800 686 P CB 0.000 31.837 31.700 0.228 0.000 0.726