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 1v3j_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GScTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG ITAIWISQPV ENIYSVINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTMQDFKN LIDTAHAHNI KVIIDFAPNH TSPASSDDPS DATA SEQUENCE FAENGRLYDN GNLLGGYTND TQNLFHHYGG TDFSTIENGI YKNLYDLADL DATA SEQUENCE NHNNSSVDVY LKDAIKMWLD LGVDGIRVDA VKHMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWFL GVNEISPEYH QFANESGMSL LDLRFAQKAR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS EVDYAQVNDQ VTFIDNHDME RFHTSNGDRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GSEQYMSGGN DPDNRARLPS FSTTTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTH ERWINNDVII YERKFGNNVA VVAINRNMNT PASITGLVTS DATA SEQUENCE LPRGSYNDVL GGILNGNTLT VGAGGAASNF TLAPGGTAVW QYTTDATTPI DATA SEQUENCE IGNVGPMMAK PGVTITIDGR GFGSGKGTVY FGTTAVTGAD IVAWEDTQIQ DATA SEQUENCE VKIPAVPGGI YDIRVANAAG AASNIYDNFE VLTGDQVTVR FVINNATTAL DATA SEQUENCE GQNVFLTGNV SELGNWDPNN AIGPMYNQVV YQYPTWYYDV SVPAGQTIEF DATA SEQUENCE KFLKKQGSTV TWEGGANRTF TTPTSGTATV 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 -0.034 0.000 1.274 1 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 1 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 2 P HA 0.202 nan 4.420 nan 0.000 0.274 2 P C -0.038 177.232 177.300 -0.050 0.000 1.246 2 P CA 0.297 63.373 63.100 -0.040 0.000 0.795 2 P CB 0.597 32.271 31.700 -0.042 0.000 1.006 3 D N 0.389 120.766 120.400 -0.038 0.000 2.190 3 D HA -0.175 4.465 4.640 -0.000 0.000 0.200 3 D C 1.137 177.397 176.300 -0.066 0.000 0.992 3 D CA 2.151 56.135 54.000 -0.026 0.000 0.854 3 D CB -1.462 39.365 40.800 0.044 0.000 0.936 3 D HN 0.457 nan 8.370 nan 0.000 0.462 4 T N -2.869 111.635 114.554 -0.084 0.000 3.100 4 T HA 0.062 4.412 4.350 -0.000 0.000 0.253 4 T C 1.074 175.689 174.700 -0.141 0.000 1.118 4 T CA -0.047 61.977 62.100 -0.127 0.000 1.058 4 T CB -0.177 68.624 68.868 -0.112 0.000 0.953 4 T HN 0.136 nan 8.240 nan 0.000 0.515 5 S N 0.516 116.142 115.700 -0.123 0.000 2.563 5 S HA 0.129 4.599 4.470 -0.000 0.000 0.284 5 S C 1.480 175.975 174.600 -0.176 0.000 1.331 5 S CA -0.261 57.862 58.200 -0.129 0.000 1.047 5 S CB 1.052 64.188 63.200 -0.107 0.000 0.859 5 S HN 0.235 nan 8.310 nan 0.000 0.514 6 V N 4.265 124.074 119.914 -0.175 0.000 2.594 6 V HA -0.078 4.041 4.120 -0.000 0.000 0.253 6 V C 2.053 177.991 176.094 -0.261 0.000 1.069 6 V CA 2.476 64.646 62.300 -0.218 0.000 1.082 6 V CB -0.717 30.997 31.823 -0.181 0.000 0.680 6 V HN 1.014 nan 8.190 nan 0.000 0.469 7 S N 0.085 115.657 115.700 -0.214 0.000 2.660 7 S HA 0.042 4.512 4.470 -0.000 0.000 0.223 7 S C 0.931 175.445 174.600 -0.142 0.000 0.963 7 S CA 0.195 58.278 58.200 -0.196 0.000 0.932 7 S CB -0.706 62.404 63.200 -0.150 0.000 0.775 7 S HN 0.620 nan 8.310 nan 0.000 0.531 8 N N 2.275 120.879 118.700 -0.160 0.000 2.555 8 N HA 0.220 4.959 4.740 -0.000 0.000 0.244 8 N C 0.334 175.780 175.510 -0.106 0.000 1.114 8 N CA -0.125 52.852 53.050 -0.121 0.000 0.963 8 N CB 0.479 38.880 38.487 -0.143 0.000 1.276 8 N HN 0.362 nan 8.380 nan 0.000 0.510 9 K N 1.703 122.110 120.400 0.012 0.000 2.418 9 K HA 0.017 4.337 4.320 -0.000 0.000 0.195 9 K C 0.936 177.729 176.600 0.322 0.000 1.035 9 K CA 0.556 56.960 56.287 0.195 0.000 1.003 9 K CB 0.510 33.101 32.500 0.152 0.000 0.793 9 K HN 0.394 nan 8.250 nan 0.000 0.494 10 Q N 0.444 120.357 119.800 0.189 0.000 2.212 10 Q HA 0.059 4.399 4.340 -0.000 0.000 0.199 10 Q C -0.321 175.834 176.000 0.259 0.000 0.950 10 Q CA 0.886 56.815 55.803 0.209 0.000 0.863 10 Q CB 0.375 29.179 28.738 0.110 0.000 0.944 10 Q HN 0.234 nan 8.270 nan 0.000 0.465 11 N N -1.110 117.696 118.700 0.177 0.000 2.249 11 N HA 0.356 5.096 4.740 -0.000 0.000 0.296 11 N C -1.235 174.268 175.510 -0.012 0.000 1.051 11 N CA -0.372 52.716 53.050 0.063 0.000 0.815 11 N CB 1.229 39.731 38.487 0.025 0.000 1.487 11 N HN -0.101 nan 8.380 nan 0.000 0.475 12 F N 0.280 119.858 119.950 -0.620 0.000 2.724 12 F HA 0.242 4.769 4.527 -0.001 0.000 0.310 12 F C 1.463 176.980 175.800 -0.471 0.000 1.107 12 F CA -0.266 57.373 58.000 -0.601 0.000 1.218 12 F CB 0.385 38.802 39.000 -0.972 0.000 1.042 12 F HN 0.429 nan 8.300 nan 0.000 0.540 13 S N -0.974 114.569 115.700 -0.262 0.000 2.419 13 S HA -0.171 4.299 4.470 -0.000 0.000 0.233 13 S C 2.072 176.440 174.600 -0.387 0.000 1.016 13 S CA 1.655 59.669 58.200 -0.310 0.000 0.974 13 S CB -0.744 62.264 63.200 -0.320 0.000 0.786 13 S HN 0.509 nan 8.310 nan 0.000 0.492 14 T N -0.280 114.036 114.554 -0.398 0.000 3.194 14 T HA 0.125 4.475 4.350 -0.000 0.000 0.251 14 T C 0.016 174.550 174.700 -0.276 0.000 1.132 14 T CA -0.129 61.745 62.100 -0.376 0.000 1.028 14 T CB -0.162 68.498 68.868 -0.347 0.000 0.976 14 T HN 0.140 nan 8.240 nan 0.000 0.535 15 D N 0.692 120.944 120.400 -0.247 0.000 2.340 15 D HA 0.535 5.175 4.640 -0.000 0.000 0.243 15 D C -0.887 175.353 176.300 -0.100 0.000 0.988 15 D CA -0.517 53.375 54.000 -0.180 0.000 0.959 15 D CB 2.627 43.306 40.800 -0.202 0.000 1.226 15 D HN 0.029 nan 8.370 nan 0.000 0.509 16 V N 1.819 121.704 119.914 -0.047 0.000 2.444 16 V HA 0.345 4.465 4.120 -0.000 0.000 0.294 16 V C 0.186 176.341 176.094 0.102 0.000 1.022 16 V CA -0.721 61.585 62.300 0.010 0.000 0.850 16 V CB 1.535 33.349 31.823 -0.015 0.000 0.992 16 V HN 0.367 nan 8.190 nan 0.000 0.426 17 I N 4.650 125.325 120.570 0.174 0.000 2.395 17 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 17 I C -0.704 175.627 176.117 0.357 0.000 1.023 17 I CA -0.359 61.118 61.300 0.295 0.000 1.350 17 I CB 0.759 38.967 38.000 0.347 0.000 1.409 17 I HN 0.618 nan 8.210 nan 0.000 0.507 18 Y N 6.441 126.861 120.300 0.200 0.000 2.369 18 Y HA 0.234 4.784 4.550 -0.001 0.000 0.337 18 Y C 0.152 176.177 175.900 0.208 0.000 0.961 18 Y CA -0.476 57.728 58.100 0.174 0.000 1.186 18 Y CB 0.856 39.371 38.460 0.092 0.000 1.139 18 Y HN 0.510 nan 8.280 nan 0.000 0.494 19 Q N 7.451 127.219 119.800 -0.053 0.000 2.337 19 Q HA 0.359 4.699 4.340 -0.000 0.000 0.255 19 Q C -1.236 174.615 176.000 -0.248 0.000 0.997 19 Q CA -0.299 55.427 55.803 -0.129 0.000 0.925 19 Q CB 0.477 29.069 28.738 -0.245 0.000 1.212 19 Q HN 0.754 nan 8.270 nan 0.000 0.436 20 I N 4.338 124.734 120.570 -0.289 0.000 2.336 20 I HA 0.199 4.369 4.170 -0.000 0.000 0.292 20 I C -0.432 175.455 176.117 -0.383 0.000 0.991 20 I CA -0.641 60.428 61.300 -0.385 0.000 1.227 20 I CB 0.866 38.635 38.000 -0.385 0.000 1.366 20 I HN 0.598 nan 8.210 nan 0.000 0.466 21 F N 5.248 124.783 119.950 -0.692 0.000 2.439 21 F HA 0.074 4.601 4.527 -0.000 0.000 0.356 21 F C 1.798 177.357 175.800 -0.402 0.000 1.161 21 F CA 0.048 57.774 58.000 -0.456 0.000 1.151 21 F CB 0.788 39.591 39.000 -0.330 0.000 1.222 21 F HN 0.575 nan 8.300 nan 0.000 0.558 22 T N 1.271 115.625 114.554 -0.333 0.000 2.680 22 T HA -0.333 4.017 4.350 -0.000 0.000 0.268 22 T C 1.629 176.256 174.700 -0.123 0.000 1.033 22 T CA 2.109 64.029 62.100 -0.300 0.000 1.152 22 T CB -0.224 68.200 68.868 -0.741 0.000 0.859 22 T HN 0.607 nan 8.240 nan 0.000 0.452 23 D N 0.122 120.505 120.400 -0.027 0.000 2.269 23 D HA -0.050 4.590 4.640 -0.000 0.000 0.208 23 D C 1.889 178.273 176.300 0.140 0.000 0.963 23 D CA 0.603 54.702 54.000 0.165 0.000 0.864 23 D CB 0.186 41.170 40.800 0.305 0.000 0.936 23 D HN 0.091 nan 8.370 nan 0.000 0.505 24 R N -0.683 119.872 120.500 0.091 0.000 2.468 24 R HA 0.141 4.481 4.340 -0.000 0.000 0.280 24 R C 0.541 176.917 176.300 0.126 0.000 0.963 24 R CA -0.176 55.966 56.100 0.071 0.000 1.083 24 R CB -0.255 30.073 30.300 0.047 0.000 1.200 24 R HN 0.259 nan 8.270 nan 0.000 0.541 25 F N 0.379 120.312 119.950 -0.029 0.000 2.414 25 F HA 0.324 4.851 4.527 -0.000 0.000 0.255 25 F C 0.321 176.262 175.800 0.235 0.000 1.032 25 F CA 0.119 58.178 58.000 0.099 0.000 1.049 25 F CB 0.155 39.189 39.000 0.057 0.000 1.140 25 F HN -0.201 nan 8.300 nan 0.000 0.643 26 S N -0.061 115.713 115.700 0.124 0.000 2.575 26 S HA 0.271 4.741 4.470 -0.000 0.000 0.278 26 S C -1.746 172.905 174.600 0.085 0.000 1.139 26 S CA -0.757 57.442 58.200 -0.002 0.000 0.954 26 S CB 0.960 64.012 63.200 -0.246 0.000 1.054 26 S HN 0.294 nan 8.310 nan 0.000 0.483 27 D N 3.506 123.949 120.400 0.071 0.000 2.453 27 D HA 0.371 5.011 4.640 -0.000 0.000 0.223 27 D C 1.196 177.524 176.300 0.045 0.000 1.183 27 D CA -0.036 54.014 54.000 0.083 0.000 0.933 27 D CB 0.416 41.283 40.800 0.113 0.000 1.038 27 D HN 0.695 nan 8.370 nan 0.000 0.513 28 G N 3.143 111.971 108.800 0.048 0.000 2.712 28 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.212 28 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.212 28 G C 0.670 175.588 174.900 0.030 0.000 1.142 28 G CA -0.211 44.907 45.100 0.031 0.000 0.789 28 G HN 0.459 nan 8.290 nan 0.000 0.535 29 N N -0.413 118.306 118.700 0.032 0.000 2.607 29 N HA 0.329 5.069 4.740 -0.000 0.000 0.271 29 N C -2.273 173.230 175.510 -0.011 0.000 1.142 29 N CA -1.887 51.171 53.050 0.013 0.000 0.810 29 N CB 2.283 40.784 38.487 0.023 0.000 1.306 29 N HN -0.237 nan 8.380 nan 0.000 0.536 30 P HA -0.033 nan 4.420 nan 0.000 0.218 30 P C 0.951 178.185 177.300 -0.110 0.000 1.149 30 P CA 1.021 64.085 63.100 -0.059 0.000 0.817 30 P CB 0.313 31.991 31.700 -0.036 0.000 0.785 31 A N 0.846 123.618 122.820 -0.080 0.000 2.019 31 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 31 A C 1.833 179.347 177.584 -0.116 0.000 1.164 31 A CA 1.638 53.620 52.037 -0.092 0.000 0.644 31 A CB -1.616 17.350 19.000 -0.056 0.000 0.805 31 A HN 0.441 nan 8.150 nan 0.000 0.449 32 N N -0.790 117.845 118.700 -0.108 0.000 2.314 32 N HA -0.018 4.722 4.740 -0.000 0.000 0.200 32 N C -0.708 174.683 175.510 -0.199 0.000 1.135 32 N CA -0.345 52.628 53.050 -0.129 0.000 0.835 32 N CB -0.119 38.315 38.487 -0.089 0.000 0.989 32 N HN 0.189 nan 8.380 nan 0.000 0.478 33 N N 2.703 121.240 118.700 -0.272 0.000 2.513 33 N HA 0.213 4.953 4.740 -0.000 0.000 0.268 33 N C -2.271 172.955 175.510 -0.474 0.000 1.180 33 N CA -1.133 51.653 53.050 -0.441 0.000 0.948 33 N CB 0.470 38.467 38.487 -0.818 0.000 1.083 33 N HN 0.159 nan 8.380 nan 0.000 0.455 34 P HA -0.024 nan 4.420 nan 0.000 0.267 34 P C -0.174 176.973 177.300 -0.253 0.000 1.195 34 P CA 0.277 63.200 63.100 -0.295 0.000 0.773 34 P CB 0.420 31.938 31.700 -0.304 0.000 0.837 35 T N -1.237 113.245 114.554 -0.120 0.000 2.940 35 T HA 0.708 5.058 4.350 -0.000 0.000 0.288 35 T C 0.512 175.244 174.700 0.053 0.000 1.045 35 T CA -0.101 61.963 62.100 -0.060 0.000 1.018 35 T CB 1.538 70.348 68.868 -0.097 0.000 1.151 35 T HN 0.746 nan 8.240 nan 0.000 0.529 36 G N 0.887 109.736 108.800 0.080 0.000 2.528 36 G HA2 0.023 3.983 3.960 -0.000 0.000 0.262 36 G HA3 0.023 3.983 3.960 -0.000 0.000 0.262 36 G C 1.093 176.060 174.900 0.113 0.000 1.200 36 G CA 0.403 45.550 45.100 0.078 0.000 0.951 36 G HN 1.757 nan 8.290 nan 0.000 0.566 37 A N -0.366 122.506 122.820 0.087 0.000 2.121 37 A HA 0.430 4.750 4.320 -0.000 0.000 0.218 37 A C 2.679 180.335 177.584 0.121 0.000 1.154 37 A CA 2.700 54.789 52.037 0.087 0.000 0.679 37 A CB -0.652 18.387 19.000 0.065 0.000 0.795 37 A HN 2.265 nan 8.150 nan 0.000 0.458 38 A N -2.015 120.902 122.820 0.162 0.000 2.218 38 A HA 0.453 4.773 4.320 -0.000 0.000 0.209 38 A C 0.370 178.153 177.584 0.333 0.000 1.168 38 A CA 0.138 52.317 52.037 0.237 0.000 0.804 38 A CB -0.191 18.943 19.000 0.223 0.000 0.834 38 A HN 0.462 nan 8.150 nan 0.000 0.482 39 F N -0.255 119.749 119.950 0.091 0.000 2.532 39 F HA 0.597 5.124 4.527 -0.000 0.000 0.321 39 F C -1.419 174.414 175.800 0.055 0.000 1.089 39 F CA -1.721 56.329 58.000 0.084 0.000 0.926 39 F CB 1.894 40.914 39.000 0.032 0.000 1.168 39 F HN -0.006 nan 8.300 nan 0.000 0.459 40 D N 2.953 122.809 120.400 -0.906 0.000 2.336 40 D HA 0.276 4.916 4.640 -0.000 0.000 0.248 40 D C 0.718 176.429 176.300 -0.981 0.000 1.326 40 D CA -0.118 53.477 54.000 -0.675 0.000 0.973 40 D CB 1.169 41.770 40.800 -0.332 0.000 1.255 40 D HN 0.689 nan 8.370 nan 0.000 0.558 41 G N 1.475 109.723 108.800 -0.920 0.000 2.509 41 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.218 41 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.218 41 G C 1.267 176.053 174.900 -0.190 0.000 1.124 41 G CA 0.944 45.788 45.100 -0.428 0.000 0.776 41 G HN 0.507 nan 8.290 nan 0.000 0.547 42 S N -1.475 114.119 115.700 -0.177 0.000 2.562 42 S HA -0.006 4.464 4.470 -0.000 0.000 0.221 42 S C 1.336 175.862 174.600 -0.122 0.000 0.975 42 S CA 0.473 58.609 58.200 -0.106 0.000 0.918 42 S CB -0.624 62.529 63.200 -0.078 0.000 0.772 42 S HN 0.708 nan 8.310 nan 0.000 0.531 43 c N 2.621 121.110 118.600 -0.185 0.000 3.989 43 c HA -0.184 4.385 4.570 -0.000 0.000 0.297 43 c C 1.723 175.734 174.090 -0.131 0.000 1.435 43 c CA 1.124 57.350 56.329 -0.172 0.000 2.040 43 c CB -2.870 39.561 42.510 -0.133 0.000 1.308 43 c HN 0.883 nan 8.230 nan 0.000 0.704 44 T N -3.043 111.440 114.554 -0.119 0.000 3.057 44 T HA 0.068 4.418 4.350 -0.000 0.000 0.254 44 T C 0.522 175.165 174.700 -0.094 0.000 1.094 44 T CA 0.834 62.880 62.100 -0.090 0.000 1.088 44 T CB -0.125 68.702 68.868 -0.068 0.000 0.934 44 T HN 0.670 nan 8.240 nan 0.000 0.497 45 N N 1.670 120.300 118.700 -0.116 0.000 2.589 45 N HA 0.263 5.003 4.740 -0.000 0.000 0.232 45 N C 0.358 175.769 175.510 -0.166 0.000 1.015 45 N CA -0.535 52.452 53.050 -0.106 0.000 0.931 45 N CB 0.626 39.064 38.487 -0.083 0.000 1.150 45 N HN 0.304 nan 8.380 nan 0.000 0.512 46 L N 2.540 123.660 121.223 -0.172 0.000 2.650 46 L HA 0.117 4.456 4.340 -0.000 0.000 0.235 46 L C 1.502 178.119 176.870 -0.422 0.000 1.149 46 L CA 0.344 55.015 54.840 -0.281 0.000 0.887 46 L CB -0.007 41.934 42.059 -0.198 0.000 1.021 46 L HN 0.318 nan 8.230 nan 0.000 0.441 47 R N -0.843 119.504 120.500 -0.256 0.000 2.397 47 R HA 0.305 4.645 4.340 -0.000 0.000 0.241 47 R C 0.208 176.431 176.300 -0.129 0.000 0.914 47 R CA -0.045 55.969 56.100 -0.144 0.000 1.071 47 R CB 0.532 30.866 30.300 0.057 0.000 1.116 47 R HN 0.212 nan 8.270 nan 0.000 0.524 48 L N -0.526 120.575 121.223 -0.204 0.000 2.335 48 L HA 0.386 4.726 4.340 -0.000 0.000 0.268 48 L C -0.349 176.444 176.870 -0.127 0.000 1.016 48 L CA -1.213 53.579 54.840 -0.080 0.000 0.805 48 L CB 0.562 42.591 42.059 -0.051 0.000 1.311 48 L HN -0.063 nan 8.230 nan 0.000 0.456 49 Y N -0.696 119.600 120.300 -0.006 0.000 2.402 49 Y HA 0.009 4.559 4.550 -0.000 0.000 0.333 49 Y C 0.975 176.805 175.900 -0.117 0.000 1.076 49 Y CA -0.168 57.972 58.100 0.067 0.000 1.299 49 Y CB 0.866 39.474 38.460 0.247 0.000 1.197 49 Y HN 0.545 nan 8.280 nan 0.000 0.517 50 c N 1.085 119.706 118.600 0.035 0.000 2.563 50 c HA 0.241 4.811 4.570 -0.000 0.000 0.268 50 c C 1.847 176.063 174.090 0.210 0.000 1.365 50 c CA 0.715 56.983 56.329 -0.103 0.000 1.754 50 c CB -0.772 41.694 42.510 -0.073 0.000 1.932 50 c HN 1.228 nan 8.230 nan 0.000 0.536 51 G N -0.148 108.928 108.800 0.459 0.000 2.211 51 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.201 51 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.201 51 G C 0.358 175.418 174.900 0.266 0.000 0.997 51 G CA -0.129 45.262 45.100 0.486 0.000 0.652 51 G HN 0.773 nan 8.290 nan 0.000 0.500 52 G N 0.542 109.477 108.800 0.226 0.000 2.491 52 G HA2 0.562 4.522 3.960 -0.000 0.000 0.242 52 G HA3 0.562 4.522 3.960 -0.000 0.000 0.242 52 G C -0.031 174.942 174.900 0.122 0.000 1.266 52 G CA 1.033 46.230 45.100 0.163 0.000 0.844 52 G HN 0.998 nan 8.290 nan 0.000 0.571 53 D N -1.068 119.383 120.400 0.085 0.000 2.825 53 D HA 0.226 4.866 4.640 -0.000 0.000 0.327 53 D C 0.394 176.754 176.300 0.101 0.000 1.277 53 D CA -0.845 53.149 54.000 -0.010 0.000 0.950 53 D CB 0.255 41.062 40.800 0.011 0.000 1.438 53 D HN 0.315 nan 8.370 nan 0.000 0.526 54 W N -0.603 120.765 121.300 0.112 0.000 2.436 54 W HA 0.030 4.690 4.660 -0.000 0.000 0.284 54 W C 1.970 178.538 176.519 0.081 0.000 1.225 54 W CA 0.684 58.084 57.345 0.091 0.000 1.271 54 W CB -0.852 28.690 29.460 0.137 0.000 1.114 54 W HN 0.519 nan 8.180 nan 0.000 0.559 55 Q N 0.535 120.502 119.800 0.277 0.000 2.226 55 Q HA -0.058 4.282 4.340 -0.000 0.000 0.204 55 Q C 2.307 178.386 176.000 0.131 0.000 0.975 55 Q CA 2.143 58.048 55.803 0.171 0.000 0.866 55 Q CB -0.822 27.991 28.738 0.124 0.000 0.915 55 Q HN 0.163 nan 8.270 nan 0.000 0.440 56 G N 0.122 109.011 108.800 0.147 0.000 2.394 56 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.215 56 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.215 56 G C 1.396 176.421 174.900 0.209 0.000 1.165 56 G CA 0.791 45.962 45.100 0.120 0.000 0.784 56 G HN 0.413 nan 8.290 nan 0.000 0.535 57 I N 0.627 121.390 120.570 0.322 0.000 2.163 57 I HA -0.124 4.046 4.170 -0.000 0.000 0.240 57 I C 2.645 178.865 176.117 0.171 0.000 1.081 57 I CA 0.756 62.251 61.300 0.324 0.000 1.353 57 I CB -0.306 37.820 38.000 0.209 0.000 1.054 57 I HN 0.102 nan 8.210 nan 0.000 0.407 58 I N 1.158 121.796 120.570 0.113 0.000 2.185 58 I HA -0.388 3.782 4.170 -0.000 0.000 0.246 58 I C 2.119 178.242 176.117 0.011 0.000 1.088 58 I CA 2.036 63.362 61.300 0.043 0.000 1.347 58 I CB -0.676 37.359 38.000 0.057 0.000 1.041 58 I HN 0.365 nan 8.210 nan 0.000 0.415 59 N N 0.238 118.952 118.700 0.024 0.000 2.188 59 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 59 N C 1.619 177.101 175.510 -0.047 0.000 1.018 59 N CA 0.695 53.729 53.050 -0.026 0.000 0.858 59 N CB 0.072 38.526 38.487 -0.054 0.000 0.989 59 N HN 0.248 nan 8.380 nan 0.000 0.426 60 K N 0.774 121.181 120.400 0.012 0.000 2.365 60 K HA 0.092 4.411 4.320 -0.000 0.000 0.197 60 K C 1.692 178.354 176.600 0.102 0.000 1.042 60 K CA 0.277 56.603 56.287 0.065 0.000 0.987 60 K CB 0.172 32.814 32.500 0.238 0.000 0.779 60 K HN 0.306 nan 8.250 nan 0.000 0.484 61 I N 1.151 121.724 120.570 0.005 0.000 2.277 61 I HA -0.225 3.944 4.170 -0.000 0.000 0.243 61 I C 1.847 177.793 176.117 -0.284 0.000 1.094 61 I CA 0.736 61.952 61.300 -0.141 0.000 1.393 61 I CB -0.224 37.658 38.000 -0.197 0.000 1.078 61 I HN 0.073 nan 8.210 nan 0.000 0.417 62 N N 1.296 119.850 118.700 -0.243 0.000 2.069 62 N HA -0.208 4.531 4.740 -0.000 0.000 0.191 62 N C 1.259 176.728 175.510 -0.067 0.000 1.031 62 N CA 1.870 54.812 53.050 -0.181 0.000 0.852 62 N CB -0.502 37.943 38.487 -0.071 0.000 1.018 62 N HN 0.486 nan 8.380 nan 0.000 0.423 63 D N -1.177 119.200 120.400 -0.039 0.000 2.336 63 D HA 0.099 4.739 4.640 -0.000 0.000 0.229 63 D C 1.071 177.391 176.300 0.033 0.000 1.061 63 D CA 0.683 54.679 54.000 -0.005 0.000 0.875 63 D CB -0.398 40.385 40.800 -0.029 0.000 0.904 63 D HN 0.274 nan 8.370 nan 0.000 0.525 64 G N -0.143 108.677 108.800 0.032 0.000 2.157 64 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.248 64 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.248 64 G C 0.592 175.562 174.900 0.118 0.000 0.979 64 G CA 0.367 45.503 45.100 0.060 0.000 0.650 64 G HN 0.393 nan 8.290 nan 0.000 0.529 65 Y N 0.651 120.981 120.300 0.049 0.000 2.145 65 Y HA 0.141 4.691 4.550 -0.000 0.000 0.286 65 Y C 2.557 178.555 175.900 0.164 0.000 1.145 65 Y CA 2.406 60.596 58.100 0.150 0.000 1.148 65 Y CB -0.184 38.354 38.460 0.130 0.000 0.981 65 Y HN 0.307 nan 8.280 nan 0.000 0.507 66 L N -1.028 120.213 121.223 0.030 0.000 2.202 66 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 66 L C 2.467 179.240 176.870 -0.162 0.000 1.083 66 L CA 1.417 56.159 54.840 -0.164 0.000 0.790 66 L CB -0.779 41.233 42.059 -0.078 0.000 0.942 66 L HN 0.284 nan 8.230 nan 0.000 0.452 67 T N -3.437 111.076 114.554 -0.067 0.000 2.985 67 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 67 T C 1.917 176.587 174.700 -0.049 0.000 1.076 67 T CA 0.791 62.865 62.100 -0.043 0.000 1.135 67 T CB -0.522 68.362 68.868 0.026 0.000 0.890 67 T HN 0.332 nan 8.240 nan 0.000 0.480 68 G N 0.956 109.744 108.800 -0.019 0.000 2.448 68 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.219 68 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.219 68 G C 1.458 176.317 174.900 -0.068 0.000 1.127 68 G CA 0.572 45.697 45.100 0.042 0.000 0.766 68 G HN 0.514 nan 8.290 nan 0.000 0.552 69 M N 0.158 119.565 119.600 -0.321 0.000 2.558 69 M HA 0.226 4.706 4.480 -0.000 0.000 0.255 69 M C 1.741 177.826 176.300 -0.358 0.000 1.113 69 M CA 0.971 55.876 55.300 -0.658 0.000 1.097 69 M CB 0.308 32.344 32.600 -0.940 0.000 1.426 69 M HN 0.352 nan 8.290 nan 0.000 0.488 70 G N 1.206 109.876 108.800 -0.217 0.000 2.141 70 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.242 70 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.242 70 G C -0.021 174.802 174.900 -0.129 0.000 0.982 70 G CA -0.247 44.764 45.100 -0.147 0.000 0.662 70 G HN 0.365 nan 8.290 nan 0.000 0.527 71 I N 1.947 122.430 120.570 -0.146 0.000 2.618 71 I HA 0.252 4.422 4.170 -0.000 0.000 0.284 71 I C 1.761 177.850 176.117 -0.046 0.000 1.146 71 I CA 1.464 62.714 61.300 -0.083 0.000 1.425 71 I CB 0.827 38.750 38.000 -0.128 0.000 1.383 71 I HN 0.394 nan 8.210 nan 0.000 0.562 72 T N 1.886 116.427 114.554 -0.022 0.000 3.091 72 T HA 0.642 4.991 4.350 -0.000 0.000 0.277 72 T C 0.140 174.841 174.700 0.002 0.000 0.996 72 T CA -0.105 61.974 62.100 -0.035 0.000 0.897 72 T CB 0.279 69.091 68.868 -0.092 0.000 1.109 72 T HN 0.690 nan 8.240 nan 0.000 0.534 73 A N 1.715 124.590 122.820 0.090 0.000 2.517 73 A HA 0.767 5.087 4.320 -0.000 0.000 0.297 73 A C -0.874 176.865 177.584 0.257 0.000 1.050 73 A CA -1.183 50.970 52.037 0.194 0.000 0.694 73 A CB 1.131 20.314 19.000 0.306 0.000 1.277 73 A HN 0.704 nan 8.150 nan 0.000 0.400 74 I N -1.715 119.014 120.570 0.266 0.000 2.603 74 I HA 0.840 5.010 4.170 -0.000 0.000 0.300 74 I C -0.919 175.422 176.117 0.374 0.000 1.017 74 I CA -0.813 60.660 61.300 0.287 0.000 1.098 74 I CB 1.948 40.050 38.000 0.169 0.000 1.279 74 I HN 0.723 nan 8.210 nan 0.000 0.437 75 W N 8.329 129.716 121.300 0.146 0.000 2.411 75 W HA 0.732 5.392 4.660 -0.001 0.000 0.317 75 W C -1.268 175.272 176.519 0.035 0.000 1.030 75 W CA -1.898 55.526 57.345 0.131 0.000 1.239 75 W CB 0.865 30.444 29.460 0.198 0.000 1.304 75 W HN 0.651 nan 8.180 nan 0.000 0.437 76 I N 2.255 122.977 120.570 0.252 0.000 2.982 76 I HA 0.657 4.826 4.170 -0.000 0.000 0.312 76 I C 0.503 176.577 176.117 -0.071 0.000 1.041 76 I CA -0.990 60.306 61.300 -0.008 0.000 1.053 76 I CB 1.538 39.569 38.000 0.052 0.000 1.248 76 I HN 0.150 nan 8.210 nan 0.000 0.471 77 S N 1.371 116.900 115.700 -0.284 0.000 2.560 77 S HA -0.052 4.417 4.470 -0.000 0.000 0.276 77 S C 0.003 174.566 174.600 -0.062 0.000 1.350 77 S CA -0.269 57.718 58.200 -0.356 0.000 1.024 77 S CB 0.205 63.094 63.200 -0.519 0.000 0.864 77 S HN 0.711 nan 8.310 nan 0.000 0.536 78 Q N 2.973 122.726 119.800 -0.077 0.000 2.263 78 Q HA 0.009 4.349 4.340 -0.000 0.000 0.289 78 Q C -1.524 174.516 176.000 0.067 0.000 1.061 78 Q CA -1.120 54.671 55.803 -0.021 0.000 0.927 78 Q CB 0.603 29.310 28.738 -0.052 0.000 1.154 78 Q HN 0.335 nan 8.270 nan 0.000 0.378 79 P HA -0.044 nan 4.420 nan 0.000 0.240 79 P C 0.379 177.718 177.300 0.066 0.000 1.190 79 P CA 0.327 63.526 63.100 0.164 0.000 0.781 79 P CB -0.042 31.432 31.700 -0.378 0.000 0.931 80 V N -1.629 118.209 119.914 -0.127 0.000 3.003 80 V HA 0.253 4.373 4.120 -0.000 0.000 0.305 80 V C 0.464 176.508 176.094 -0.082 0.000 1.078 80 V CA -1.032 61.262 62.300 -0.011 0.000 1.083 80 V CB 0.237 31.985 31.823 -0.123 0.000 1.039 80 V HN -0.038 nan 8.190 nan 0.000 0.481 81 E N 2.988 123.175 120.200 -0.021 0.000 2.465 81 E HA 0.061 4.411 4.350 -0.000 0.000 0.260 81 E C -0.154 176.316 176.600 -0.217 0.000 0.980 81 E CA 0.180 56.512 56.400 -0.114 0.000 0.927 81 E CB 0.224 29.915 29.700 -0.015 0.000 0.934 81 E HN 0.884 nan 8.360 nan 0.000 0.459 82 N N 3.007 121.508 118.700 -0.332 0.000 2.471 82 N HA 0.311 5.051 4.740 -0.000 0.000 0.288 82 N C -0.029 175.210 175.510 -0.452 0.000 1.220 82 N CA -0.774 52.103 53.050 -0.289 0.000 0.893 82 N CB 1.057 39.400 38.487 -0.239 0.000 1.256 82 N HN 0.456 nan 8.380 nan 0.000 0.534 83 I N -1.108 119.341 120.570 -0.203 0.000 2.836 83 I HA 0.016 4.186 4.170 -0.000 0.000 0.285 83 I C 0.034 175.973 176.117 -0.297 0.000 1.174 83 I CA 0.038 61.222 61.300 -0.193 0.000 1.405 83 I CB 0.263 38.264 38.000 0.001 0.000 1.385 83 I HN 0.590 nan 8.210 nan 0.000 0.594 84 Y N 2.014 122.333 120.300 0.032 0.000 2.478 84 Y HA 0.165 4.714 4.550 -0.000 0.000 0.261 84 Y C 1.475 177.398 175.900 0.040 0.000 1.127 84 Y CA -0.115 57.998 58.100 0.022 0.000 1.288 84 Y CB -0.238 38.202 38.460 -0.033 0.000 1.084 84 Y HN 0.584 nan 8.280 nan 0.000 0.530 85 S N 0.567 116.343 115.700 0.127 0.000 2.563 85 S HA 0.157 4.626 4.470 -0.000 0.000 0.284 85 S C -0.051 174.603 174.600 0.089 0.000 1.331 85 S CA -0.465 57.765 58.200 0.049 0.000 1.047 85 S CB 1.178 64.323 63.200 -0.091 0.000 0.859 85 S HN -0.049 nan 8.310 nan 0.000 0.514 86 V N 3.852 123.800 119.914 0.057 0.000 2.333 86 V HA 0.314 4.433 4.120 -0.000 0.000 0.274 86 V C 0.002 176.095 176.094 -0.001 0.000 1.028 86 V CA -0.377 61.972 62.300 0.082 0.000 0.851 86 V CB 0.338 32.210 31.823 0.082 0.000 1.000 86 V HN 0.707 nan 8.190 nan 0.000 0.456 87 I N 4.844 125.406 120.570 -0.014 0.000 2.365 87 I HA 0.310 4.479 4.170 -0.000 0.000 0.291 87 I C 0.476 176.495 176.117 -0.163 0.000 1.004 87 I CA -0.154 61.020 61.300 -0.211 0.000 1.311 87 I CB 1.046 38.810 38.000 -0.395 0.000 1.401 87 I HN 0.523 nan 8.210 nan 0.000 0.491 88 N N 6.969 125.578 118.700 -0.153 0.000 2.462 88 N HA 0.163 4.902 4.740 -0.000 0.000 0.242 88 N C -1.494 173.961 175.510 -0.092 0.000 1.010 88 N CA -0.257 52.762 53.050 -0.051 0.000 0.939 88 N CB 0.534 39.020 38.487 -0.002 0.000 1.127 88 N HN 0.408 nan 8.380 nan 0.000 0.509 89 Y N 2.230 122.603 120.300 0.122 0.000 2.518 89 Y HA 0.095 4.645 4.550 -0.000 0.000 0.344 89 Y C 0.952 176.890 175.900 0.064 0.000 0.982 89 Y CA -0.493 57.666 58.100 0.099 0.000 1.234 89 Y CB 0.736 39.259 38.460 0.106 0.000 1.114 89 Y HN 0.500 nan 8.280 nan 0.000 0.515 90 S N 2.914 118.727 115.700 0.189 0.000 3.447 90 S HA -0.241 4.229 4.470 -0.000 0.000 0.371 90 S C 1.271 175.926 174.600 0.091 0.000 0.951 90 S CA 0.990 59.259 58.200 0.114 0.000 1.269 90 S CB -1.395 61.866 63.200 0.102 0.000 0.919 90 S HN 1.380 nan 8.310 nan 0.000 0.516 91 G N -1.290 107.558 108.800 0.080 0.000 2.454 91 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.225 91 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.225 91 G C 0.342 175.288 174.900 0.077 0.000 1.138 91 G CA 0.060 45.198 45.100 0.063 0.000 0.667 91 G HN 1.586 nan 8.290 nan 0.000 0.512 92 V N 2.499 122.478 119.914 0.108 0.000 2.530 92 V HA 0.577 4.697 4.120 -0.000 0.000 0.282 92 V C 0.229 176.406 176.094 0.138 0.000 1.048 92 V CA -0.768 61.599 62.300 0.112 0.000 0.997 92 V CB 1.071 32.964 31.823 0.117 0.000 0.987 92 V HN 0.419 nan 8.190 nan 0.000 0.477 93 N N 5.640 124.402 118.700 0.104 0.000 2.530 93 N HA 0.350 5.090 4.740 -0.000 0.000 0.273 93 N C -0.533 175.071 175.510 0.157 0.000 1.173 93 N CA 0.201 53.316 53.050 0.107 0.000 0.967 93 N CB 0.411 38.943 38.487 0.075 0.000 1.109 93 N HN 0.797 nan 8.380 nan 0.000 0.453 94 N N -0.298 118.527 118.700 0.208 0.000 2.264 94 N HA 0.412 5.152 4.740 -0.000 0.000 0.288 94 N C -0.887 174.804 175.510 0.301 0.000 1.094 94 N CA -0.432 52.801 53.050 0.306 0.000 0.817 94 N CB 2.185 41.011 38.487 0.565 0.000 1.604 94 N HN 0.554 nan 8.380 nan 0.000 0.473 95 T N -2.675 111.987 114.554 0.181 0.000 2.831 95 T HA 0.588 4.938 4.350 -0.000 0.000 0.287 95 T C 0.204 174.674 174.700 -0.383 0.000 1.070 95 T CA -0.724 61.440 62.100 0.107 0.000 1.010 95 T CB 1.552 70.507 68.868 0.146 0.000 1.264 95 T HN 0.355 nan 8.240 nan 0.000 0.532 96 A N 0.372 122.937 122.820 -0.425 0.000 2.648 96 A HA 0.318 4.638 4.320 -0.000 0.000 0.269 96 A C 1.217 178.062 177.584 -1.232 0.000 1.392 96 A CA -0.347 51.135 52.037 -0.926 0.000 1.019 96 A CB -1.684 17.174 19.000 -0.236 0.000 1.009 96 A HN 0.928 nan 8.150 nan 0.000 0.565 97 Y N -0.209 119.238 120.300 -1.421 0.000 2.256 97 Y HA -0.309 4.241 4.550 -0.000 0.000 0.288 97 Y C 1.850 177.377 175.900 -0.621 0.000 1.155 97 Y CA 1.709 59.029 58.100 -1.300 0.000 1.203 97 Y CB -1.061 36.846 38.460 -0.921 0.000 0.980 97 Y HN 0.632 nan 8.280 nan 0.000 0.530 98 H N -1.055 117.097 119.070 -1.530 0.000 2.546 98 H HA 0.308 4.864 4.556 -0.000 0.000 0.277 98 H C 1.990 176.653 175.328 -1.108 0.000 1.004 98 H CA -0.150 55.143 56.048 -1.259 0.000 1.231 98 H CB -0.722 28.260 29.762 -1.300 0.000 1.382 98 H HN 0.479 nan 8.280 nan 0.000 0.580 99 G N -0.189 108.283 108.800 -0.547 0.000 2.179 99 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.260 99 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.260 99 G C 0.534 175.329 174.900 -0.175 0.000 0.977 99 G CA 0.519 45.436 45.100 -0.305 0.000 0.641 99 G HN 0.488 nan 8.290 nan 0.000 0.533 100 Y N -1.165 119.139 120.300 0.007 0.000 2.561 100 Y HA 0.294 4.844 4.550 -0.000 0.000 0.291 100 Y C 1.163 177.258 175.900 0.326 0.000 1.141 100 Y CA -0.390 57.729 58.100 0.032 0.000 1.303 100 Y CB 0.091 38.433 38.460 -0.197 0.000 1.015 100 Y HN 0.409 nan 8.280 nan 0.000 0.547 101 W N 1.333 122.757 121.300 0.206 0.000 2.024 101 W HA 0.687 5.347 4.660 -0.000 0.000 0.318 101 W C 0.151 176.650 176.519 -0.033 0.000 0.817 101 W CA -2.083 55.339 57.345 0.129 0.000 1.745 101 W CB -0.612 28.917 29.460 0.116 0.000 1.940 101 W HN -0.188 nan 8.180 nan 0.000 0.346 102 A N 2.286 125.157 122.820 0.084 0.000 2.425 102 A HA 0.492 4.812 4.320 -0.000 0.000 0.242 102 A C 1.321 178.856 177.584 -0.082 0.000 1.077 102 A CA 0.036 51.935 52.037 -0.230 0.000 0.781 102 A CB 0.614 19.118 19.000 -0.826 0.000 1.020 102 A HN 0.660 nan 8.150 nan 0.000 0.494 103 R N -0.152 120.306 120.500 -0.070 0.000 2.573 103 R HA 0.286 4.626 4.340 -0.000 0.000 0.224 103 R C -0.874 175.583 176.300 0.262 0.000 0.904 103 R CA 0.058 56.248 56.100 0.151 0.000 0.995 103 R CB 0.645 31.047 30.300 0.171 0.000 1.430 103 R HN 0.508 nan 8.270 nan 0.000 0.631 104 D N 0.189 120.674 120.400 0.141 0.000 2.478 104 D HA 0.189 4.829 4.640 -0.000 0.000 0.240 104 D C -0.677 175.794 176.300 0.284 0.000 1.364 104 D CA -0.681 53.520 54.000 0.334 0.000 0.987 104 D CB 1.022 41.987 40.800 0.277 0.000 1.328 104 D HN -0.010 nan 8.370 nan 0.000 0.584 105 F N 1.720 121.897 119.950 0.379 0.000 2.816 105 F HA 0.102 4.628 4.527 -0.000 0.000 0.302 105 F C 2.064 178.136 175.800 0.454 0.000 1.178 105 F CA 0.315 58.522 58.000 0.345 0.000 1.421 105 F CB 0.308 39.429 39.000 0.203 0.000 1.114 105 F HN 0.090 nan 8.300 nan 0.000 0.573 106 K N 0.092 120.772 120.400 0.466 0.000 2.358 106 K HA 0.224 4.544 4.320 -0.000 0.000 0.200 106 K C 0.400 177.116 176.600 0.193 0.000 1.030 106 K CA 0.245 56.678 56.287 0.244 0.000 1.097 106 K CB 0.662 33.273 32.500 0.186 0.000 0.862 106 K HN 0.230 nan 8.250 nan 0.000 0.534 107 K N 0.627 121.203 120.400 0.293 0.000 2.378 107 K HA 0.297 4.617 4.320 -0.000 0.000 0.244 107 K C -0.135 176.665 176.600 0.333 0.000 1.039 107 K CA -0.614 55.809 56.287 0.226 0.000 0.863 107 K CB 1.719 34.316 32.500 0.161 0.000 1.326 107 K HN -0.056 nan 8.250 nan 0.000 0.460 108 T N -1.501 113.234 114.554 0.302 0.000 2.902 108 T HA 0.187 4.537 4.350 -0.000 0.000 0.280 108 T C 0.165 174.938 174.700 0.121 0.000 0.992 108 T CA -0.856 61.458 62.100 0.356 0.000 1.015 108 T CB 0.845 70.022 68.868 0.515 0.000 1.044 108 T HN 0.423 nan 8.240 nan 0.000 0.520 109 N N 2.759 121.446 118.700 -0.021 0.000 2.405 109 N HA 0.158 4.898 4.740 -0.000 0.000 0.260 109 N C -1.293 174.039 175.510 -0.297 0.000 1.152 109 N CA -2.314 50.561 53.050 -0.291 0.000 0.948 109 N CB 1.018 39.113 38.487 -0.653 0.000 1.111 109 N HN 0.400 nan 8.380 nan 0.000 0.485 110 P HA -0.116 nan 4.420 nan 0.000 0.222 110 P C 0.774 177.951 177.300 -0.205 0.000 1.147 110 P CA 0.773 63.802 63.100 -0.118 0.000 0.790 110 P CB 0.225 31.909 31.700 -0.028 0.000 0.780 111 A N -0.977 121.655 122.820 -0.314 0.000 2.015 111 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 111 A C 2.004 179.508 177.584 -0.133 0.000 1.163 111 A CA 1.093 52.958 52.037 -0.288 0.000 0.646 111 A CB -1.385 17.318 19.000 -0.495 0.000 0.806 111 A HN 0.076 nan 8.150 nan 0.000 0.448 112 Y N -0.827 119.188 120.300 -0.475 0.000 2.269 112 Y HA 0.371 4.921 4.550 -0.000 0.000 0.294 112 Y C 1.589 176.894 175.900 -0.991 0.000 1.120 112 Y CA 0.194 57.738 58.100 -0.927 0.000 1.159 112 Y CB -0.695 36.850 38.460 -1.525 0.000 1.024 112 Y HN 0.421 nan 8.280 nan 0.000 0.532 113 G N -1.060 107.410 108.800 -0.549 0.000 2.341 113 G HA2 0.290 4.250 3.960 -0.000 0.000 0.293 113 G HA3 0.290 4.250 3.960 -0.000 0.000 0.293 113 G C -0.754 174.255 174.900 0.182 0.000 1.298 113 G CA -0.487 44.575 45.100 -0.064 0.000 0.868 113 G HN 0.169 nan 8.290 nan 0.000 0.540 114 T N -2.221 112.528 114.554 0.325 0.000 2.862 114 T HA 0.483 4.832 4.350 -0.000 0.000 0.276 114 T C 1.639 176.614 174.700 0.457 0.000 0.974 114 T CA 0.418 62.700 62.100 0.304 0.000 0.966 114 T CB 1.410 70.395 68.868 0.194 0.000 1.072 114 T HN 0.668 nan 8.240 nan 0.000 0.538 115 M N 0.441 120.237 119.600 0.327 0.000 2.202 115 M HA -0.075 4.405 4.480 -0.000 0.000 0.262 115 M C 2.322 178.787 176.300 0.275 0.000 1.063 115 M CA 1.679 57.154 55.300 0.292 0.000 1.097 115 M CB -0.845 31.846 32.600 0.152 0.000 1.382 115 M HN 0.851 nan 8.290 nan 0.000 0.413 116 Q N 0.161 120.093 119.800 0.221 0.000 2.083 116 Q HA -0.156 4.184 4.340 -0.000 0.000 0.198 116 Q C 1.448 177.573 176.000 0.209 0.000 0.969 116 Q CA 2.042 57.950 55.803 0.175 0.000 0.838 116 Q CB -0.367 28.449 28.738 0.130 0.000 0.900 116 Q HN 0.497 nan 8.270 nan 0.000 0.436 117 D N -0.481 120.098 120.400 0.298 0.000 2.149 117 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 117 D C 1.524 178.030 176.300 0.344 0.000 0.990 117 D CA 0.925 55.142 54.000 0.362 0.000 0.839 117 D CB -0.311 40.808 40.800 0.531 0.000 0.948 117 D HN 0.317 nan 8.370 nan 0.000 0.460 118 F N 1.618 121.655 119.950 0.145 0.000 2.113 118 F HA -0.136 4.391 4.527 -0.000 0.000 0.297 118 F C 2.184 177.905 175.800 -0.132 0.000 1.103 118 F CA 1.268 59.104 58.000 -0.274 0.000 1.248 118 F CB 0.185 39.025 39.000 -0.267 0.000 0.999 118 F HN -0.195 nan 8.300 nan 0.000 0.475 119 K N 0.121 120.578 120.400 0.095 0.000 2.057 119 K HA -0.187 4.132 4.320 -0.000 0.000 0.207 119 K C 1.712 178.260 176.600 -0.086 0.000 1.049 119 K CA 1.553 57.834 56.287 -0.009 0.000 0.931 119 K CB -0.347 32.192 32.500 0.065 0.000 0.714 119 K HN 0.246 nan 8.250 nan 0.000 0.440 120 N N 1.212 119.897 118.700 -0.024 0.000 2.120 120 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 120 N C 1.763 177.213 175.510 -0.101 0.000 1.024 120 N CA 0.902 53.937 53.050 -0.025 0.000 0.852 120 N CB -0.310 38.202 38.487 0.041 0.000 1.003 120 N HN 0.071 nan 8.380 nan 0.000 0.424 121 L N 1.126 122.235 121.223 -0.190 0.000 2.046 121 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 121 L C 1.902 178.543 176.870 -0.382 0.000 1.077 121 L CA 1.265 55.937 54.840 -0.279 0.000 0.747 121 L CB -0.410 41.378 42.059 -0.451 0.000 0.896 121 L HN 0.038 nan 8.230 nan 0.000 0.432 122 I N -0.206 120.045 120.570 -0.531 0.000 2.179 122 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 122 I C 2.114 177.898 176.117 -0.554 0.000 1.088 122 I CA 1.372 62.307 61.300 -0.608 0.000 1.357 122 I CB -1.400 36.282 38.000 -0.531 0.000 1.051 122 I HN 0.307 nan 8.210 nan 0.000 0.409 123 D N 0.408 120.631 120.400 -0.294 0.000 2.144 123 D HA -0.110 4.529 4.640 -0.000 0.000 0.200 123 D C 2.194 178.460 176.300 -0.055 0.000 0.978 123 D CA 1.313 55.228 54.000 -0.141 0.000 0.833 123 D CB -0.237 40.530 40.800 -0.056 0.000 0.961 123 D HN 0.248 nan 8.370 nan 0.000 0.470 124 T N 0.527 115.056 114.554 -0.042 0.000 2.777 124 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 124 T C 1.988 176.759 174.700 0.118 0.000 1.040 124 T CA 1.318 63.461 62.100 0.070 0.000 1.141 124 T CB -0.185 68.699 68.868 0.027 0.000 0.868 124 T HN 0.176 nan 8.240 nan 0.000 0.444 125 A N 1.513 124.319 122.820 -0.022 0.000 1.858 125 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 125 A C 2.089 179.753 177.584 0.133 0.000 1.190 125 A CA 1.555 53.602 52.037 0.016 0.000 0.617 125 A CB -0.891 18.056 19.000 -0.088 0.000 0.827 125 A HN 0.467 nan 8.150 nan 0.000 0.443 126 H N -0.112 118.963 119.070 0.009 0.000 2.387 126 H HA 0.026 4.581 4.556 -0.000 0.000 0.299 126 H C 2.411 177.730 175.328 -0.015 0.000 1.090 126 H CA 1.058 57.100 56.048 -0.009 0.000 1.332 126 H CB -0.739 29.010 29.762 -0.022 0.000 1.386 126 H HN 0.499 nan 8.280 nan 0.000 0.516 127 A N 0.467 123.357 122.820 0.117 0.000 2.015 127 A HA -0.145 4.174 4.320 -0.000 0.000 0.219 127 A C 1.353 178.842 177.584 -0.158 0.000 1.163 127 A CA 1.136 53.159 52.037 -0.023 0.000 0.646 127 A CB -0.374 18.598 19.000 -0.047 0.000 0.806 127 A HN 0.490 nan 8.150 nan 0.000 0.448 128 H N -0.147 118.936 119.070 0.021 0.000 2.507 128 H HA 0.100 4.656 4.556 -0.000 0.000 0.294 128 H C -0.195 175.132 175.328 -0.002 0.000 1.064 128 H CA -0.105 55.946 56.048 0.006 0.000 1.138 128 H CB -0.021 29.745 29.762 0.006 0.000 1.515 128 H HN 0.464 nan 8.280 nan 0.000 0.547 129 N N 1.033 119.765 118.700 0.054 0.000 2.716 129 N HA -0.197 4.543 4.740 -0.000 0.000 0.250 129 N C -0.408 175.111 175.510 0.015 0.000 1.033 129 N CA 0.709 53.763 53.050 0.008 0.000 0.727 129 N CB -1.377 37.088 38.487 -0.037 0.000 0.950 129 N HN 0.492 nan 8.380 nan 0.000 0.541 130 I N 0.617 121.235 120.570 0.080 0.000 2.406 130 I HA 0.190 4.359 4.170 -0.000 0.000 0.290 130 I C 0.587 176.790 176.117 0.144 0.000 0.999 130 I CA -0.632 60.713 61.300 0.075 0.000 1.124 130 I CB 1.549 39.595 38.000 0.077 0.000 1.289 130 I HN -0.182 nan 8.210 nan 0.000 0.441 131 K N 4.585 125.041 120.400 0.094 0.000 2.154 131 K HA 0.546 4.865 4.320 -0.000 0.000 0.264 131 K C -0.966 175.789 176.600 0.258 0.000 1.008 131 K CA -0.525 55.866 56.287 0.173 0.000 0.937 131 K CB 1.633 34.136 32.500 0.005 0.000 1.002 131 K HN 0.266 nan 8.250 nan 0.000 0.469 132 V N 4.291 124.371 119.914 0.277 0.000 2.407 132 V HA 0.357 4.477 4.120 -0.000 0.000 0.291 132 V C -0.357 175.890 176.094 0.255 0.000 1.018 132 V CA -0.740 61.673 62.300 0.188 0.000 0.842 132 V CB 1.176 33.000 31.823 0.002 0.000 0.996 132 V HN 0.601 nan 8.190 nan 0.000 0.426 133 I N 6.165 126.901 120.570 0.276 0.000 2.377 133 I HA 0.561 4.731 4.170 -0.000 0.000 0.293 133 I C -0.204 176.047 176.117 0.224 0.000 0.987 133 I CA -0.590 60.841 61.300 0.217 0.000 1.185 133 I CB 1.733 39.851 38.000 0.195 0.000 1.341 133 I HN 0.616 nan 8.210 nan 0.000 0.455 134 I N 1.435 122.093 120.570 0.145 0.000 2.562 134 I HA 0.556 4.726 4.170 -0.000 0.000 0.301 134 I C -0.558 175.628 176.117 0.115 0.000 1.003 134 I CA -0.859 60.534 61.300 0.155 0.000 1.127 134 I CB 1.364 39.414 38.000 0.083 0.000 1.304 134 I HN 0.293 nan 8.210 nan 0.000 0.446 135 D N 3.772 124.286 120.400 0.191 0.000 2.382 135 D HA 0.310 4.950 4.640 -0.000 0.000 0.240 135 D C -1.231 175.191 176.300 0.203 0.000 1.146 135 D CA 0.777 54.886 54.000 0.182 0.000 0.897 135 D CB 1.134 42.053 40.800 0.199 0.000 1.197 135 D HN 0.540 nan 8.370 nan 0.000 0.432 136 F N 0.165 120.136 119.950 0.035 0.000 2.588 136 F HA 0.459 4.986 4.527 -0.001 0.000 0.318 136 F C -1.168 174.706 175.800 0.124 0.000 1.155 136 F CA -0.669 57.381 58.000 0.082 0.000 0.967 136 F CB 1.449 40.510 39.000 0.102 0.000 1.236 136 F HN 0.291 nan 8.300 nan 0.000 0.455 137 A N 7.413 130.152 122.820 -0.135 0.000 3.064 137 A HA 0.452 4.772 4.320 -0.000 0.000 0.339 137 A C -2.367 175.115 177.584 -0.171 0.000 1.078 137 A CA -1.178 50.808 52.037 -0.084 0.000 0.869 137 A CB -0.282 18.697 19.000 -0.035 0.000 1.067 137 A HN 0.477 nan 8.150 nan 0.000 0.480 138 P HA -0.069 nan 4.420 nan 0.000 0.249 138 P C 0.611 177.849 177.300 -0.104 0.000 1.241 138 P CA 0.316 63.265 63.100 -0.251 0.000 0.781 138 P CB 0.119 31.706 31.700 -0.188 0.000 1.088 139 N N 0.478 119.113 118.700 -0.109 0.000 2.376 139 N HA -0.060 4.680 4.740 -0.000 0.000 0.177 139 N C 0.384 175.902 175.510 0.014 0.000 1.024 139 N CA 0.499 53.567 53.050 0.029 0.000 0.893 139 N CB 0.210 38.761 38.487 0.107 0.000 0.980 139 N HN 0.344 nan 8.380 nan 0.000 0.439 140 H N -2.768 116.362 119.070 0.101 0.000 2.990 140 H HA 0.193 4.749 4.556 -0.000 0.000 0.336 140 H C -0.022 175.437 175.328 0.218 0.000 1.306 140 H CA -0.352 55.758 56.048 0.104 0.000 1.118 140 H CB 1.116 30.911 29.762 0.055 0.000 1.856 140 H HN -0.082 nan 8.280 nan 0.000 0.538 141 T N -0.538 114.235 114.554 0.366 0.000 3.523 141 T HA 0.290 4.640 4.350 -0.000 0.000 0.216 141 T C 0.746 175.625 174.700 0.298 0.000 0.922 141 T CA 0.837 63.134 62.100 0.328 0.000 1.558 141 T CB -0.539 68.527 68.868 0.330 0.000 1.424 141 T HN 0.819 nan 8.240 nan 0.000 0.452 142 S N 0.562 116.301 115.700 0.064 0.000 2.671 142 S HA 0.635 5.105 4.470 -0.000 0.000 0.277 142 S C -3.366 171.012 174.600 -0.370 0.000 1.165 142 S CA -1.617 56.485 58.200 -0.163 0.000 0.822 142 S CB 1.051 64.198 63.200 -0.087 0.000 1.150 142 S HN 0.188 nan 8.310 nan 0.000 0.479 143 P HA 0.395 nan 4.420 nan 0.000 0.262 143 P C -1.037 176.192 177.300 -0.119 0.000 1.182 143 P CA 0.582 63.504 63.100 -0.298 0.000 0.761 143 P CB 0.316 31.801 31.700 -0.358 0.000 0.795 144 A N 2.522 125.345 122.820 0.005 0.000 2.574 144 A HA 0.679 4.999 4.320 -0.000 0.000 0.297 144 A C -0.965 176.652 177.584 0.055 0.000 1.062 144 A CA -0.445 51.584 52.037 -0.013 0.000 0.686 144 A CB 1.626 20.344 19.000 -0.470 0.000 1.285 144 A HN 0.311 nan 8.150 nan 0.000 0.403 145 S N 0.108 115.932 115.700 0.207 0.000 2.647 145 S HA 0.480 4.949 4.470 -0.000 0.000 0.300 145 S C 1.061 175.801 174.600 0.233 0.000 1.129 145 S CA 0.171 58.440 58.200 0.115 0.000 1.029 145 S CB 1.132 64.307 63.200 -0.042 0.000 1.007 145 S HN 1.620 nan 8.310 nan 0.000 0.484 146 S N 3.258 119.144 115.700 0.310 0.000 2.428 146 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 146 S C 1.104 175.713 174.600 0.015 0.000 1.014 146 S CA 0.786 59.043 58.200 0.094 0.000 0.957 146 S CB -0.304 62.800 63.200 -0.160 0.000 0.784 146 S HN 0.739 nan 8.310 nan 0.000 0.499 147 D N 1.956 122.365 120.400 0.016 0.000 2.097 147 D HA -0.028 4.612 4.640 -0.000 0.000 0.195 147 D C 0.195 176.495 176.300 -0.000 0.000 0.989 147 D CA 1.248 55.241 54.000 -0.011 0.000 0.827 147 D CB -0.305 40.482 40.800 -0.022 0.000 0.966 147 D HN 0.426 nan 8.370 nan 0.000 0.456 148 D N 0.002 120.414 120.400 0.019 0.000 2.485 148 D HA 0.102 4.742 4.640 -0.000 0.000 0.229 148 D C -1.733 174.620 176.300 0.088 0.000 1.101 148 D CA -2.195 51.830 54.000 0.042 0.000 0.906 148 D CB 1.512 42.333 40.800 0.034 0.000 1.019 148 D HN -0.057 nan 8.370 nan 0.000 0.516 149 P HA -0.140 nan 4.420 nan 0.000 0.223 149 P C 0.863 178.200 177.300 0.062 0.000 1.144 149 P CA 0.697 63.831 63.100 0.057 0.000 0.783 149 P CB 0.172 31.887 31.700 0.024 0.000 0.771 150 S N -1.743 113.997 115.700 0.067 0.000 2.593 150 S HA 0.025 4.495 4.470 -0.000 0.000 0.217 150 S C 0.465 175.107 174.600 0.070 0.000 0.966 150 S CA -0.693 57.537 58.200 0.051 0.000 0.914 150 S CB -1.284 61.940 63.200 0.040 0.000 0.776 150 S HN 0.058 nan 8.310 nan 0.000 0.523 151 F N 3.468 123.393 119.950 -0.041 0.000 2.504 151 F HA 0.485 5.011 4.527 -0.000 0.000 0.369 151 F C 1.003 176.756 175.800 -0.079 0.000 1.082 151 F CA 0.083 58.042 58.000 -0.068 0.000 1.216 151 F CB 0.012 38.967 39.000 -0.075 0.000 1.108 151 F HN 0.484 nan 8.300 nan 0.000 0.554 152 A N 4.694 126.999 122.820 -0.858 0.000 5.483 152 A HA -0.356 3.963 4.320 -0.000 0.000 0.309 152 A C 0.853 178.259 177.584 -0.297 0.000 1.898 152 A CA 1.432 53.050 52.037 -0.699 0.000 0.716 152 A CB -1.399 16.978 19.000 -1.039 0.000 1.309 152 A HN 0.837 nan 8.150 nan 0.000 0.380 153 E N 1.102 121.181 120.200 -0.202 0.000 2.585 153 E HA 0.250 4.600 4.350 -0.000 0.000 0.206 153 E C 0.330 176.911 176.600 -0.033 0.000 1.007 153 E CA 0.359 56.730 56.400 -0.049 0.000 1.028 153 E CB -0.122 29.605 29.700 0.045 0.000 1.087 153 E HN 0.657 nan 8.360 nan 0.000 0.455 154 N N 0.759 119.418 118.700 -0.069 0.000 2.721 154 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 154 N C 0.721 176.183 175.510 -0.080 0.000 1.072 154 N CA 0.411 53.450 53.050 -0.019 0.000 0.710 154 N CB -0.835 37.665 38.487 0.022 0.000 0.993 154 N HN 0.593 nan 8.380 nan 0.000 0.547 155 G N -0.041 108.670 108.800 -0.148 0.000 2.180 155 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.263 155 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.263 155 G C 0.245 175.122 174.900 -0.039 0.000 0.989 155 G CA 0.813 45.788 45.100 -0.209 0.000 0.692 155 G HN 0.661 nan 8.290 nan 0.000 0.526 156 R N -0.886 119.641 120.500 0.045 0.000 2.585 156 R HA 0.351 4.690 4.340 -0.000 0.000 0.275 156 R C 0.035 176.435 176.300 0.166 0.000 1.018 156 R CA -0.140 56.015 56.100 0.091 0.000 1.072 156 R CB 0.557 30.876 30.300 0.032 0.000 0.953 156 R HN 0.256 nan 8.270 nan 0.000 0.419 157 L N 3.900 125.167 121.223 0.073 0.000 2.341 157 L HA 0.393 4.733 4.340 -0.000 0.000 0.278 157 L C -1.440 175.316 176.870 -0.191 0.000 1.005 157 L CA -0.508 54.380 54.840 0.081 0.000 0.818 157 L CB 1.116 43.200 42.059 0.042 0.000 1.259 157 L HN 0.423 nan 8.230 nan 0.000 0.418 158 Y N 1.987 122.329 120.300 0.071 0.000 2.549 158 Y HA 0.545 5.095 4.550 -0.000 0.000 0.339 158 Y C -0.522 175.434 175.900 0.094 0.000 1.053 158 Y CA -0.694 57.446 58.100 0.067 0.000 1.105 158 Y CB 1.838 40.365 38.460 0.112 0.000 1.258 158 Y HN 0.570 nan 8.280 nan 0.000 0.478 159 D N 1.648 122.200 120.400 0.254 0.000 2.440 159 D HA 0.144 4.784 4.640 -0.000 0.000 0.252 159 D C -0.616 175.865 176.300 0.302 0.000 1.180 159 D CA -0.580 53.636 54.000 0.359 0.000 0.894 159 D CB 0.230 41.156 40.800 0.210 0.000 1.111 159 D HN 0.566 nan 8.370 nan 0.000 0.544 160 N N 3.467 122.353 118.700 0.311 0.000 2.714 160 N HA -0.238 4.502 4.740 -0.000 0.000 0.252 160 N C 1.003 176.615 175.510 0.170 0.000 1.014 160 N CA 2.137 55.309 53.050 0.204 0.000 0.735 160 N CB -0.998 37.580 38.487 0.151 0.000 0.924 160 N HN 0.913 nan 8.380 nan 0.000 0.540 161 G N -1.174 107.750 108.800 0.206 0.000 2.254 161 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.225 161 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.225 161 G C -0.043 175.029 174.900 0.287 0.000 1.003 161 G CA 0.156 45.360 45.100 0.173 0.000 0.622 161 G HN 0.699 nan 8.290 nan 0.000 0.507 162 N N 0.814 119.667 118.700 0.255 0.000 2.422 162 N HA 0.424 5.164 4.740 -0.000 0.000 0.264 162 N C -0.078 175.520 175.510 0.146 0.000 1.063 162 N CA -0.610 52.555 53.050 0.192 0.000 0.959 162 N CB 0.711 39.266 38.487 0.113 0.000 1.087 162 N HN 0.251 nan 8.380 nan 0.000 0.483 163 L N 5.190 126.438 121.223 0.042 0.000 2.462 163 L HA 0.080 4.420 4.340 -0.000 0.000 0.272 163 L C 0.765 177.504 176.870 -0.219 0.000 1.166 163 L CA 0.449 55.093 54.840 -0.327 0.000 0.880 163 L CB 0.625 42.482 42.059 -0.336 0.000 1.142 163 L HN 0.621 nan 8.230 nan 0.000 0.473 164 L N 4.443 125.500 121.223 -0.277 0.000 2.316 164 L HA 0.465 4.804 4.340 -0.000 0.000 0.207 164 L C 1.024 177.799 176.870 -0.158 0.000 1.070 164 L CA 0.507 55.227 54.840 -0.201 0.000 0.820 164 L CB -0.390 41.507 42.059 -0.270 0.000 0.992 164 L HN 0.841 nan 8.230 nan 0.000 0.466 165 G N -1.145 107.565 108.800 -0.150 0.000 2.328 165 G HA2 0.410 4.370 3.960 -0.000 0.000 0.299 165 G HA3 0.410 4.370 3.960 -0.000 0.000 0.299 165 G C -1.430 173.536 174.900 0.111 0.000 1.435 165 G CA -0.181 44.907 45.100 -0.019 0.000 0.865 165 G HN 0.138 nan 8.290 nan 0.000 0.601 166 G N -1.780 107.101 108.800 0.136 0.000 2.685 166 G HA2 0.526 4.486 3.960 -0.000 0.000 0.298 166 G HA3 0.526 4.486 3.960 -0.000 0.000 0.298 166 G C 0.193 175.131 174.900 0.063 0.000 1.277 166 G CA -0.314 44.839 45.100 0.087 0.000 0.986 166 G HN 0.668 nan 8.290 nan 0.000 0.487 167 Y N 0.208 120.318 120.300 -0.316 0.000 2.243 167 Y HA 0.126 4.676 4.550 -0.000 0.000 0.293 167 Y C 1.918 177.772 175.900 -0.076 0.000 1.124 167 Y CA 1.156 59.032 58.100 -0.374 0.000 1.159 167 Y CB -0.038 38.152 38.460 -0.451 0.000 1.008 167 Y HN 0.322 nan 8.280 nan 0.000 0.527 168 T N 1.842 116.356 114.554 -0.067 0.000 2.884 168 T HA 0.096 4.446 4.350 -0.000 0.000 0.298 168 T C -0.050 174.580 174.700 -0.116 0.000 0.998 168 T CA 0.065 62.096 62.100 -0.114 0.000 1.124 168 T CB 0.297 69.141 68.868 -0.040 0.000 0.931 168 T HN 0.403 nan 8.240 nan 0.000 0.531 169 N N 1.857 120.458 118.700 -0.164 0.000 2.746 169 N HA -0.161 4.579 4.740 -0.000 0.000 0.250 169 N C -1.130 174.324 175.510 -0.094 0.000 1.055 169 N CA 0.272 53.246 53.050 -0.127 0.000 0.699 169 N CB -0.679 37.761 38.487 -0.079 0.000 0.919 169 N HN 0.628 nan 8.380 nan 0.000 0.548 170 D N -0.557 119.761 120.400 -0.137 0.000 2.564 170 D HA 0.235 4.875 4.640 -0.000 0.000 0.226 170 D C 1.427 177.683 176.300 -0.074 0.000 1.149 170 D CA 0.311 54.294 54.000 -0.029 0.000 0.994 170 D CB 0.038 40.916 40.800 0.129 0.000 1.029 170 D HN 0.390 nan 8.370 nan 0.000 0.517 171 T N -0.333 114.181 114.554 -0.066 0.000 2.951 171 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 171 T C 1.439 176.111 174.700 -0.047 0.000 1.073 171 T CA 0.877 62.937 62.100 -0.067 0.000 1.134 171 T CB -0.114 68.719 68.868 -0.057 0.000 0.884 171 T HN 0.313 nan 8.240 nan 0.000 0.479 172 Q N 0.969 120.748 119.800 -0.035 0.000 2.403 172 Q HA 0.208 4.548 4.340 -0.000 0.000 0.203 172 Q C 0.011 175.986 176.000 -0.042 0.000 0.932 172 Q CA -0.295 55.484 55.803 -0.041 0.000 0.945 172 Q CB -0.054 28.649 28.738 -0.058 0.000 1.045 172 Q HN 0.484 nan 8.270 nan 0.000 0.511 173 N N 0.856 119.550 118.700 -0.010 0.000 2.705 173 N HA -0.204 4.536 4.740 -0.000 0.000 0.255 173 N C 0.180 175.642 175.510 -0.079 0.000 1.008 173 N CA 0.325 53.387 53.050 0.020 0.000 0.742 173 N CB -0.863 37.630 38.487 0.010 0.000 0.906 173 N HN 0.390 nan 8.380 nan 0.000 0.541 174 L N -1.539 119.585 121.223 -0.164 0.000 2.376 174 L HA 0.069 4.409 4.340 -0.000 0.000 0.219 174 L C 0.631 177.039 176.870 -0.770 0.000 1.133 174 L CA 1.068 55.601 54.840 -0.512 0.000 0.816 174 L CB -0.093 41.515 42.059 -0.752 0.000 0.933 174 L HN 0.121 nan 8.230 nan 0.000 0.449 175 F N -2.538 117.323 119.950 -0.149 0.000 2.611 175 F HA 0.386 4.913 4.527 -0.000 0.000 0.324 175 F C 0.398 175.979 175.800 -0.364 0.000 1.061 175 F CA -0.979 56.864 58.000 -0.262 0.000 0.954 175 F CB 0.894 39.831 39.000 -0.104 0.000 1.301 175 F HN -0.222 nan 8.300 nan 0.000 0.482 176 H N 0.403 119.407 119.070 -0.111 0.000 2.525 176 H HA 0.293 4.849 4.556 -0.000 0.000 0.339 176 H C -0.674 174.311 175.328 -0.573 0.000 1.109 176 H CA -0.404 55.504 56.048 -0.234 0.000 1.352 176 H CB 0.713 30.523 29.762 0.081 0.000 1.461 176 H HN 0.450 nan 8.280 nan 0.000 0.533 177 H N 4.028 122.874 119.070 -0.374 0.000 2.439 177 H HA 0.045 4.601 4.556 -0.000 0.000 0.230 177 H C -0.659 174.422 175.328 -0.412 0.000 1.420 177 H CA -0.041 55.821 56.048 -0.310 0.000 1.305 177 H CB 0.096 29.641 29.762 -0.361 0.000 1.667 177 H HN 0.745 nan 8.280 nan 0.000 0.515 178 Y N -0.074 120.270 120.300 0.074 0.000 2.612 178 Y HA 0.348 4.898 4.550 -0.000 0.000 0.250 178 Y C 1.570 177.466 175.900 -0.008 0.000 1.175 178 Y CA 0.246 58.347 58.100 0.002 0.000 1.205 178 Y CB 1.167 39.596 38.460 -0.052 0.000 1.201 178 Y HN 0.655 nan 8.280 nan 0.000 0.532 179 G N -0.057 108.815 108.800 0.120 0.000 2.660 179 G HA2 0.094 4.053 3.960 -0.000 0.000 0.247 179 G HA3 0.094 4.053 3.960 -0.000 0.000 0.247 179 G C 0.004 174.912 174.900 0.014 0.000 1.328 179 G CA -0.687 44.446 45.100 0.056 0.000 0.884 179 G HN 0.572 nan 8.290 nan 0.000 0.531 180 G N -1.149 107.621 108.800 -0.051 0.000 2.434 180 G HA2 0.702 4.662 3.960 -0.000 0.000 0.330 180 G HA3 0.702 4.662 3.960 -0.000 0.000 0.330 180 G C 0.225 174.994 174.900 -0.218 0.000 1.155 180 G CA 0.924 45.940 45.100 -0.140 0.000 0.917 180 G HN 1.349 nan 8.290 nan 0.000 0.493 181 T N -0.757 113.556 114.554 -0.401 0.000 2.913 181 T HA 0.228 4.578 4.350 -0.000 0.000 0.297 181 T C 0.920 175.268 174.700 -0.588 0.000 1.029 181 T CA 0.055 61.830 62.100 -0.542 0.000 1.104 181 T CB 0.789 69.160 68.868 -0.828 0.000 0.964 181 T HN 0.585 nan 8.240 nan 0.000 0.532 182 D N 2.685 122.874 120.400 -0.352 0.000 2.363 182 D HA 0.040 4.680 4.640 -0.000 0.000 0.214 182 D C 0.663 177.004 176.300 0.069 0.000 1.093 182 D CA -0.295 53.635 54.000 -0.117 0.000 0.837 182 D CB -0.671 40.112 40.800 -0.028 0.000 0.948 182 D HN 0.667 nan 8.370 nan 0.000 0.507 183 F N 0.374 120.293 119.950 -0.051 0.000 3.048 183 F HA -0.319 4.208 4.527 -0.000 0.000 0.287 183 F C 1.820 177.612 175.800 -0.015 0.000 0.796 183 F CA 0.707 58.691 58.000 -0.027 0.000 1.111 183 F CB -2.573 36.416 39.000 -0.018 0.000 1.320 183 F HN 0.139 nan 8.300 nan 0.000 0.430 184 S N -1.636 114.121 115.700 0.095 0.000 2.423 184 S HA 0.045 4.515 4.470 -0.000 0.000 0.231 184 S C 0.918 175.545 174.600 0.044 0.000 1.014 184 S CA 1.144 59.382 58.200 0.064 0.000 0.965 184 S CB -0.161 63.053 63.200 0.023 0.000 0.785 184 S HN 0.615 nan 8.310 nan 0.000 0.495 185 T N -2.248 112.315 114.554 0.016 0.000 2.864 185 T HA 0.640 4.990 4.350 -0.000 0.000 0.299 185 T C 0.823 175.512 174.700 -0.019 0.000 1.166 185 T CA -0.870 61.231 62.100 0.001 0.000 1.007 185 T CB 0.916 69.758 68.868 -0.043 0.000 1.219 185 T HN -0.018 nan 8.240 nan 0.000 0.506 186 I N 0.609 121.171 120.570 -0.013 0.000 2.179 186 I HA -0.143 4.027 4.170 -0.000 0.000 0.242 186 I C 2.849 178.872 176.117 -0.158 0.000 1.088 186 I CA 1.729 62.998 61.300 -0.051 0.000 1.357 186 I CB -0.266 37.773 38.000 0.065 0.000 1.051 186 I HN 0.923 nan 8.210 nan 0.000 0.409 187 E N 1.363 121.364 120.200 -0.331 0.000 2.070 187 E HA -0.336 4.014 4.350 -0.000 0.000 0.197 187 E C 1.900 178.380 176.600 -0.201 0.000 1.004 187 E CA 2.234 58.274 56.400 -0.599 0.000 0.805 187 E CB -0.189 28.996 29.700 -0.858 0.000 0.744 187 E HN 0.459 nan 8.360 nan 0.000 0.451 188 N N -0.843 117.762 118.700 -0.157 0.000 2.069 188 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 188 N C 1.864 177.298 175.510 -0.127 0.000 1.031 188 N CA 1.610 54.591 53.050 -0.115 0.000 0.852 188 N CB -0.342 38.078 38.487 -0.110 0.000 1.018 188 N HN 0.214 nan 8.380 nan 0.000 0.423 189 G N -0.296 108.443 108.800 -0.102 0.000 2.559 189 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.216 189 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.216 189 G C 1.361 176.285 174.900 0.039 0.000 1.126 189 G CA 0.347 45.433 45.100 -0.023 0.000 0.778 189 G HN 0.331 nan 8.290 nan 0.000 0.543 190 I N -1.371 119.119 120.570 -0.133 0.000 2.400 190 I HA 0.037 4.206 4.170 -0.000 0.000 0.248 190 I C 1.863 177.751 176.117 -0.382 0.000 1.109 190 I CA 0.702 61.821 61.300 -0.303 0.000 1.425 190 I CB 0.084 37.742 38.000 -0.570 0.000 1.094 190 I HN 0.100 nan 8.210 nan 0.000 0.425 191 Y N 0.712 120.999 120.300 -0.022 0.000 2.481 191 Y HA 0.240 4.789 4.550 -0.000 0.000 0.258 191 Y C 0.968 176.857 175.900 -0.018 0.000 1.103 191 Y CA -0.157 57.861 58.100 -0.138 0.000 1.287 191 Y CB 0.087 38.338 38.460 -0.348 0.000 1.108 191 Y HN -0.118 nan 8.280 nan 0.000 0.529 192 K N 0.909 121.349 120.400 0.066 0.000 2.106 192 K HA 0.226 4.546 4.320 -0.000 0.000 0.246 192 K C -0.552 176.027 176.600 -0.035 0.000 0.987 192 K CA -0.979 55.339 56.287 0.051 0.000 0.904 192 K CB 0.580 33.043 32.500 -0.062 0.000 1.071 192 K HN -0.069 nan 8.250 nan 0.000 0.453 193 N N 1.464 120.127 118.700 -0.062 0.000 2.518 193 N HA 0.025 4.764 4.740 -0.000 0.000 0.266 193 N C -0.570 174.738 175.510 -0.336 0.000 1.196 193 N CA -0.335 52.628 53.050 -0.145 0.000 0.947 193 N CB 0.243 38.647 38.487 -0.140 0.000 1.098 193 N HN 0.279 nan 8.380 nan 0.000 0.450 194 L N 5.470 126.449 121.223 -0.407 0.000 2.363 194 L HA 0.131 4.470 4.340 -0.000 0.000 0.286 194 L C -0.345 176.142 176.870 -0.639 0.000 1.106 194 L CA 0.487 54.888 54.840 -0.733 0.000 0.859 194 L CB -1.555 40.119 42.059 -0.643 0.000 1.223 194 L HN 0.520 nan 8.230 nan 0.000 0.446 195 Y N 1.544 121.739 120.300 -0.175 0.000 2.819 195 Y HA -0.402 4.147 4.550 -0.001 0.000 0.471 195 Y C 1.319 177.132 175.900 -0.145 0.000 1.148 195 Y CA 1.358 59.385 58.100 -0.122 0.000 2.713 195 Y CB -1.428 36.970 38.460 -0.104 0.000 1.168 195 Y HN 0.716 nan 8.280 nan 0.000 0.618 196 D N 0.289 120.713 120.400 0.040 0.000 2.582 196 D HA 0.259 4.898 4.640 -0.000 0.000 0.246 196 D C -0.465 175.735 176.300 -0.166 0.000 1.334 196 D CA 0.025 53.986 54.000 -0.066 0.000 0.805 196 D CB -0.554 40.249 40.800 0.005 0.000 1.087 196 D HN 0.433 nan 8.370 nan 0.000 0.499 197 L N 1.431 122.543 121.223 -0.185 0.000 2.331 197 L HA 0.493 4.833 4.340 -0.000 0.000 0.278 197 L C 0.745 177.448 176.870 -0.279 0.000 1.106 197 L CA -0.882 53.807 54.840 -0.252 0.000 0.824 197 L CB 1.217 43.075 42.059 -0.335 0.000 1.142 197 L HN 0.029 nan 8.230 nan 0.000 0.443 198 A N 2.691 125.286 122.820 -0.375 0.000 2.496 198 A HA 0.010 4.329 4.320 -0.000 0.000 0.278 198 A C -0.038 177.532 177.584 -0.023 0.000 1.137 198 A CA -0.255 51.460 52.037 -0.537 0.000 0.805 198 A CB -0.419 18.099 19.000 -0.803 0.000 1.077 198 A HN 0.706 nan 8.150 nan 0.000 0.513 199 D N 2.694 123.092 120.400 -0.004 0.000 2.382 199 D HA 0.267 4.906 4.640 -0.000 0.000 0.259 199 D C 0.209 176.499 176.300 -0.016 0.000 1.224 199 D CA 0.360 54.395 54.000 0.057 0.000 0.894 199 D CB 0.235 41.091 40.800 0.094 0.000 1.127 199 D HN 0.483 nan 8.370 nan 0.000 0.487 200 L N 3.417 124.536 121.223 -0.174 0.000 2.456 200 L HA 0.095 4.434 4.340 -0.000 0.000 0.272 200 L C 0.774 177.062 176.870 -0.969 0.000 1.189 200 L CA -0.222 54.283 54.840 -0.558 0.000 0.846 200 L CB 0.375 42.058 42.059 -0.626 0.000 1.111 200 L HN 0.396 nan 8.230 nan 0.000 0.475 201 N N 0.896 119.041 118.700 -0.924 0.000 2.558 201 N HA 0.119 4.859 4.740 -0.000 0.000 0.233 201 N C 0.429 175.559 175.510 -0.635 0.000 1.038 201 N CA -0.183 52.413 53.050 -0.758 0.000 0.934 201 N CB 0.368 38.617 38.487 -0.396 0.000 1.175 201 N HN 0.412 nan 8.380 nan 0.000 0.512 202 H N 0.922 119.742 119.070 -0.417 0.000 2.555 202 H HA 0.072 4.627 4.556 -0.000 0.000 0.269 202 H C 1.421 176.587 175.328 -0.270 0.000 0.988 202 H CA 0.506 56.187 56.048 -0.613 0.000 1.178 202 H CB 0.316 29.346 29.762 -1.220 0.000 1.373 202 H HN 0.590 nan 8.280 nan 0.000 0.588 203 N N 0.804 119.515 118.700 0.018 0.000 2.463 203 N HA -0.111 4.628 4.740 -0.000 0.000 0.181 203 N C 0.218 175.753 175.510 0.042 0.000 1.078 203 N CA -0.085 53.027 53.050 0.103 0.000 0.902 203 N CB 0.192 38.784 38.487 0.176 0.000 0.970 203 N HN 0.232 nan 8.380 nan 0.000 0.451 204 N N 1.092 119.766 118.700 -0.042 0.000 2.442 204 N HA 0.011 4.751 4.740 -0.000 0.000 0.265 204 N C 0.349 175.841 175.510 -0.030 0.000 1.138 204 N CA 0.178 53.195 53.050 -0.055 0.000 0.956 204 N CB 1.338 39.743 38.487 -0.137 0.000 1.067 204 N HN -0.020 nan 8.380 nan 0.000 0.474 205 S N 2.005 117.713 115.700 0.014 0.000 2.419 205 S HA -0.161 4.308 4.470 -0.000 0.000 0.235 205 S C 1.854 176.478 174.600 0.039 0.000 1.019 205 S CA 1.630 59.858 58.200 0.046 0.000 0.982 205 S CB -0.086 63.145 63.200 0.053 0.000 0.789 205 S HN 0.843 nan 8.310 nan 0.000 0.490 206 S N 0.577 116.275 115.700 -0.004 0.000 2.446 206 S HA 0.064 4.534 4.470 -0.000 0.000 0.225 206 S C 1.780 176.379 174.600 -0.001 0.000 1.016 206 S CA 0.486 58.687 58.200 0.000 0.000 0.943 206 S CB -0.375 62.801 63.200 -0.039 0.000 0.786 206 S HN 0.266 nan 8.310 nan 0.000 0.508 207 V N 2.605 122.471 119.914 -0.080 0.000 2.283 207 V HA -0.142 3.978 4.120 -0.000 0.000 0.243 207 V C 2.586 178.698 176.094 0.029 0.000 1.039 207 V CA 2.228 64.457 62.300 -0.119 0.000 1.016 207 V CB -1.003 30.620 31.823 -0.333 0.000 0.650 207 V HN 0.581 nan 8.190 nan 0.000 0.449 208 D N 0.170 120.601 120.400 0.053 0.000 2.137 208 D HA -0.206 4.434 4.640 -0.000 0.000 0.189 208 D C 1.981 178.466 176.300 0.309 0.000 0.998 208 D CA 2.234 56.391 54.000 0.262 0.000 0.839 208 D CB -0.248 40.722 40.800 0.283 0.000 0.962 208 D HN 0.169 nan 8.370 nan 0.000 0.446 209 V N -0.378 119.661 119.914 0.209 0.000 2.407 209 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 209 V C 2.111 178.318 176.094 0.188 0.000 1.055 209 V CA 1.868 64.273 62.300 0.174 0.000 1.049 209 V CB -0.886 31.011 31.823 0.123 0.000 0.662 209 V HN 0.360 nan 8.190 nan 0.000 0.455 210 Y N 0.581 120.920 120.300 0.065 0.000 2.128 210 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 210 Y C 2.181 178.143 175.900 0.104 0.000 1.154 210 Y CA 1.797 59.932 58.100 0.058 0.000 1.149 210 Y CB -0.320 38.142 38.460 0.004 0.000 0.976 210 Y HN 0.155 nan 8.280 nan 0.000 0.505 211 L N -0.028 121.235 121.223 0.067 0.000 2.093 211 L HA -0.201 4.138 4.340 -0.000 0.000 0.208 211 L C 2.407 179.444 176.870 0.278 0.000 1.085 211 L CA 1.572 56.449 54.840 0.061 0.000 0.755 211 L CB -0.430 41.739 42.059 0.182 0.000 0.904 211 L HN 0.159 nan 8.230 nan 0.000 0.435 212 K N -0.389 120.186 120.400 0.291 0.000 2.155 212 K HA -0.127 4.193 4.320 -0.000 0.000 0.203 212 K C 1.597 178.213 176.600 0.027 0.000 1.052 212 K CA 1.114 57.525 56.287 0.207 0.000 0.948 212 K CB -0.029 32.574 32.500 0.172 0.000 0.728 212 K HN 0.216 nan 8.250 nan 0.000 0.448 213 D N 0.689 121.087 120.400 -0.004 0.000 2.149 213 D HA -0.079 4.561 4.640 -0.000 0.000 0.201 213 D C 1.795 178.048 176.300 -0.078 0.000 0.972 213 D CA 1.024 54.982 54.000 -0.070 0.000 0.835 213 D CB -0.087 40.689 40.800 -0.039 0.000 0.966 213 D HN 0.165 nan 8.370 nan 0.000 0.476 214 A N 0.761 123.539 122.820 -0.069 0.000 1.873 214 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 214 A C 2.178 179.884 177.584 0.203 0.000 1.186 214 A CA 0.834 52.901 52.037 0.050 0.000 0.616 214 A CB -0.603 18.448 19.000 0.084 0.000 0.823 214 A HN 0.180 nan 8.150 nan 0.000 0.442 215 I N -0.107 120.528 120.570 0.107 0.000 2.394 215 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 215 I C 2.089 178.181 176.117 -0.042 0.000 1.136 215 I CA 1.479 62.703 61.300 -0.127 0.000 1.425 215 I CB -0.335 37.460 38.000 -0.341 0.000 1.079 215 I HN 0.260 nan 8.210 nan 0.000 0.425 216 K N -0.481 119.866 120.400 -0.089 0.000 2.097 216 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 216 K C 2.172 178.763 176.600 -0.015 0.000 1.049 216 K CA 1.809 58.033 56.287 -0.104 0.000 0.933 216 K CB -0.311 31.953 32.500 -0.395 0.000 0.717 216 K HN 0.371 nan 8.250 nan 0.000 0.442 217 M N -0.349 119.187 119.600 -0.106 0.000 2.080 217 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 217 M C 1.444 177.592 176.300 -0.253 0.000 1.068 217 M CA 1.862 57.033 55.300 -0.215 0.000 1.109 217 M CB -0.169 32.200 32.600 -0.386 0.000 1.342 217 M HN 0.238 nan 8.290 nan 0.000 0.405 218 W N 0.478 121.790 121.300 0.020 0.000 2.388 218 W HA -0.118 4.542 4.660 -0.000 0.000 0.294 218 W C 2.063 178.631 176.519 0.082 0.000 1.212 218 W CA 0.619 57.985 57.345 0.035 0.000 1.271 218 W CB -0.407 29.047 29.460 -0.009 0.000 1.126 218 W HN 0.194 nan 8.180 nan 0.000 0.535 219 L N -0.079 121.281 121.223 0.228 0.000 2.083 219 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 219 L C 1.838 178.808 176.870 0.167 0.000 1.083 219 L CA 1.164 56.117 54.840 0.189 0.000 0.752 219 L CB -0.764 41.414 42.059 0.200 0.000 0.899 219 L HN -0.077 nan 8.230 nan 0.000 0.433 220 D N 0.119 120.612 120.400 0.154 0.000 2.219 220 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 220 D C 2.242 178.598 176.300 0.093 0.000 0.970 220 D CA 1.005 55.070 54.000 0.109 0.000 0.851 220 D CB -0.060 40.790 40.800 0.084 0.000 0.943 220 D HN 0.274 nan 8.370 nan 0.000 0.488 221 L N -0.579 120.715 121.223 0.118 0.000 2.551 221 L HA 0.091 4.430 4.340 -0.000 0.000 0.228 221 L C 1.439 178.432 176.870 0.204 0.000 1.153 221 L CA 0.676 55.622 54.840 0.178 0.000 0.851 221 L CB -0.032 42.191 42.059 0.274 0.000 0.959 221 L HN 0.172 nan 8.230 nan 0.000 0.451 222 G N -0.097 108.822 108.800 0.199 0.000 2.138 222 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.193 222 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.193 222 G C 0.292 175.334 174.900 0.236 0.000 0.998 222 G CA -0.039 45.178 45.100 0.196 0.000 0.668 222 G HN 0.193 nan 8.290 nan 0.000 0.516 223 V N -2.132 117.948 119.914 0.276 0.000 3.096 223 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 223 V C 0.850 177.093 176.094 0.248 0.000 1.088 223 V CA 0.779 63.241 62.300 0.270 0.000 1.129 223 V CB 1.296 33.313 31.823 0.324 0.000 1.014 223 V HN 0.132 nan 8.190 nan 0.000 0.486 224 D N 1.967 122.539 120.400 0.286 0.000 2.449 224 D HA 0.339 4.979 4.640 -0.000 0.000 0.210 224 D C 0.647 177.169 176.300 0.370 0.000 1.094 224 D CA 1.160 55.368 54.000 0.347 0.000 0.846 224 D CB 1.348 42.409 40.800 0.436 0.000 1.003 224 D HN 0.963 nan 8.370 nan 0.000 0.504 225 G N 0.463 109.396 108.800 0.221 0.000 2.601 225 G HA2 0.585 4.545 3.960 -0.000 0.000 0.291 225 G HA3 0.585 4.545 3.960 -0.000 0.000 0.291 225 G C -1.790 173.090 174.900 -0.033 0.000 1.456 225 G CA -0.629 44.502 45.100 0.051 0.000 0.804 225 G HN -0.007 nan 8.290 nan 0.000 0.499 226 I N 0.436 120.887 120.570 -0.198 0.000 2.607 226 I HA 0.502 4.672 4.170 -0.000 0.000 0.290 226 I C -0.495 175.254 176.117 -0.613 0.000 1.129 226 I CA -0.913 60.233 61.300 -0.257 0.000 1.042 226 I CB 2.533 40.428 38.000 -0.175 0.000 1.242 226 I HN 0.280 nan 8.210 nan 0.000 0.421 227 R N 5.887 125.980 120.500 -0.678 0.000 2.288 227 R HA 0.519 4.859 4.340 -0.000 0.000 0.326 227 R C -1.628 174.463 176.300 -0.349 0.000 0.959 227 R CA -0.602 54.847 56.100 -1.085 0.000 0.834 227 R CB 1.406 30.947 30.300 -1.266 0.000 1.157 227 R HN 0.432 nan 8.270 nan 0.000 0.470 228 V N 4.367 124.137 119.914 -0.239 0.000 2.461 228 V HA 0.068 4.188 4.120 -0.000 0.000 0.275 228 V C 0.547 176.666 176.094 0.042 0.000 1.047 228 V CA -0.525 61.795 62.300 0.034 0.000 0.955 228 V CB 1.332 33.234 31.823 0.131 0.000 0.988 228 V HN 0.661 nan 8.190 nan 0.000 0.471 229 D N 3.975 124.429 120.400 0.090 0.000 2.304 229 D HA 0.503 5.143 4.640 -0.000 0.000 0.247 229 D C 0.703 177.056 176.300 0.088 0.000 1.089 229 D CA 0.534 54.587 54.000 0.090 0.000 0.910 229 D CB 1.064 41.909 40.800 0.074 0.000 1.199 229 D HN 1.067 nan 8.370 nan 0.000 0.426 230 A N 2.185 125.068 122.820 0.104 0.000 2.687 230 A HA -0.179 4.141 4.320 -0.000 0.000 0.299 230 A C 1.527 179.125 177.584 0.023 0.000 1.497 230 A CA 0.978 53.094 52.037 0.131 0.000 0.751 230 A CB -2.430 16.695 19.000 0.208 0.000 1.048 230 A HN 1.114 nan 8.150 nan 0.000 0.464 231 V N -2.141 117.741 119.914 -0.053 0.000 2.720 231 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 231 V C 1.901 177.744 176.094 -0.418 0.000 1.082 231 V CA 2.527 64.724 62.300 -0.171 0.000 1.101 231 V CB -0.656 31.009 31.823 -0.263 0.000 0.693 231 V HN 0.668 nan 8.190 nan 0.000 0.479 232 K N -0.976 119.030 120.400 -0.657 0.000 2.432 232 K HA -0.056 4.264 4.320 -0.000 0.000 0.196 232 K C 1.417 177.468 176.600 -0.914 0.000 1.038 232 K CA 0.783 56.387 56.287 -1.138 0.000 0.986 232 K CB -0.058 31.505 32.500 -1.561 0.000 0.782 232 K HN 0.663 nan 8.250 nan 0.000 0.485 233 H N -0.922 118.010 119.070 -0.230 0.000 2.592 233 H HA 0.256 4.811 4.556 -0.000 0.000 0.279 233 H C -0.171 175.092 175.328 -0.108 0.000 1.089 233 H CA 0.044 55.998 56.048 -0.158 0.000 1.150 233 H CB 0.348 30.046 29.762 -0.108 0.000 1.575 233 H HN 0.104 nan 8.280 nan 0.000 0.547 234 M N 0.742 120.327 119.600 -0.024 0.000 2.591 234 M HA 0.371 4.851 4.480 -0.000 0.000 0.306 234 M C -2.581 173.756 176.300 0.062 0.000 1.190 234 M CA -1.882 53.428 55.300 0.017 0.000 0.889 234 M CB 2.713 35.335 32.600 0.038 0.000 1.728 234 M HN -0.210 nan 8.290 nan 0.000 0.458 235 P HA 0.017 nan 4.420 nan 0.000 0.267 235 P C -0.098 177.377 177.300 0.292 0.000 1.205 235 P CA 0.035 63.258 63.100 0.204 0.000 0.765 235 P CB 0.281 32.146 31.700 0.275 0.000 0.828 236 F N 4.090 124.154 119.950 0.189 0.000 2.134 236 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 236 F C 2.153 178.047 175.800 0.158 0.000 1.097 236 F CA 2.388 60.548 58.000 0.267 0.000 1.264 236 F CB -0.798 38.380 39.000 0.298 0.000 1.001 236 F HN 0.371 nan 8.300 nan 0.000 0.479 237 G N -0.770 108.167 108.800 0.227 0.000 2.442 237 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.219 237 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.219 237 G C 1.402 176.337 174.900 0.059 0.000 1.141 237 G CA 0.769 45.943 45.100 0.123 0.000 0.763 237 G HN 0.621 nan 8.290 nan 0.000 0.554 238 W N 1.164 122.470 121.300 0.010 0.000 2.409 238 W HA 0.024 4.684 4.660 -0.000 0.000 0.299 238 W C 2.789 179.282 176.519 -0.044 0.000 1.203 238 W CA 1.405 58.744 57.345 -0.010 0.000 1.298 238 W CB -0.073 29.358 29.460 -0.049 0.000 1.127 238 W HN 0.274 nan 8.180 nan 0.000 0.528 239 Q N 0.184 119.898 119.800 -0.143 0.000 2.170 239 Q HA -0.241 4.098 4.340 -0.000 0.000 0.203 239 Q C 2.128 177.916 176.000 -0.353 0.000 0.976 239 Q CA 1.711 57.362 55.803 -0.253 0.000 0.858 239 Q CB -0.392 28.377 28.738 0.052 0.000 0.907 239 Q HN 0.325 nan 8.270 nan 0.000 0.433 240 K N 0.726 120.853 120.400 -0.456 0.000 2.148 240 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 240 K C 2.191 178.596 176.600 -0.325 0.000 1.050 240 K CA 1.492 57.512 56.287 -0.445 0.000 0.942 240 K CB 0.043 32.240 32.500 -0.504 0.000 0.724 240 K HN 0.190 nan 8.250 nan 0.000 0.446 241 S N -0.172 115.332 115.700 -0.327 0.000 2.414 241 S HA -0.113 4.357 4.470 -0.000 0.000 0.227 241 S C 1.832 176.225 174.600 -0.344 0.000 1.022 241 S CA 0.330 58.365 58.200 -0.275 0.000 0.958 241 S CB -0.512 62.569 63.200 -0.199 0.000 0.797 241 S HN 0.396 nan 8.310 nan 0.000 0.493 242 F N 2.330 121.824 119.950 -0.759 0.000 2.146 242 F HA 0.095 4.621 4.527 -0.001 0.000 0.298 242 F C 2.222 177.779 175.800 -0.406 0.000 1.096 242 F CA 1.201 58.779 58.000 -0.703 0.000 1.275 242 F CB -0.351 37.976 39.000 -1.123 0.000 1.008 242 F HN 0.089 nan 8.300 nan 0.000 0.480 243 M N 0.419 119.787 119.600 -0.386 0.000 2.117 243 M HA -0.092 4.388 4.480 -0.000 0.000 0.262 243 M C 2.527 178.638 176.300 -0.315 0.000 1.065 243 M CA 1.577 56.653 55.300 -0.373 0.000 1.114 243 M CB -1.981 30.451 32.600 -0.280 0.000 1.361 243 M HN 0.295 nan 8.290 nan 0.000 0.408 244 A N -0.677 121.986 122.820 -0.262 0.000 1.972 244 A HA -0.125 4.194 4.320 -0.000 0.000 0.219 244 A C 2.319 179.799 177.584 -0.173 0.000 1.169 244 A CA 2.074 53.998 52.037 -0.187 0.000 0.635 244 A CB -1.016 17.894 19.000 -0.151 0.000 0.810 244 A HN 0.471 nan 8.150 nan 0.000 0.446 245 T N 0.172 114.587 114.554 -0.233 0.000 2.777 245 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 245 T C 1.769 176.359 174.700 -0.183 0.000 1.040 245 T CA 1.514 63.493 62.100 -0.201 0.000 1.141 245 T CB -0.347 68.376 68.868 -0.241 0.000 0.868 245 T HN 0.446 nan 8.240 nan 0.000 0.444 246 I N 1.426 121.814 120.570 -0.304 0.000 2.163 246 I HA -0.151 4.018 4.170 -0.000 0.000 0.240 246 I C 2.324 178.387 176.117 -0.089 0.000 1.081 246 I CA 0.947 62.117 61.300 -0.216 0.000 1.353 246 I CB -0.288 37.486 38.000 -0.377 0.000 1.054 246 I HN 0.140 nan 8.210 nan 0.000 0.407 247 N N 0.961 119.591 118.700 -0.115 0.000 2.244 247 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 247 N C 1.367 176.863 175.510 -0.024 0.000 1.016 247 N CA 1.037 54.050 53.050 -0.061 0.000 0.866 247 N CB -0.521 37.923 38.487 -0.072 0.000 0.980 247 N HN 0.337 nan 8.380 nan 0.000 0.430 248 N N -0.423 118.265 118.700 -0.020 0.000 2.467 248 N HA -0.058 4.681 4.740 -0.000 0.000 0.184 248 N C 1.113 176.667 175.510 0.073 0.000 1.106 248 N CA 0.210 53.267 53.050 0.012 0.000 0.892 248 N CB 0.154 38.641 38.487 -0.001 0.000 0.969 248 N HN 0.466 nan 8.380 nan 0.000 0.454 249 Y N 0.540 120.794 120.300 -0.076 0.000 2.453 249 Y HA 0.263 4.813 4.550 -0.000 0.000 0.273 249 Y C -0.120 175.751 175.900 -0.048 0.000 1.130 249 Y CA 0.359 58.421 58.100 -0.063 0.000 1.271 249 Y CB 0.683 39.094 38.460 -0.081 0.000 1.253 249 Y HN -0.297 nan 8.280 nan 0.000 0.512 250 K N 2.190 122.475 120.400 -0.193 0.000 2.756 250 K HA 0.280 4.600 4.320 -0.000 0.000 0.218 250 K C -2.920 173.636 176.600 -0.074 0.000 1.057 250 K CA -2.160 53.977 56.287 -0.248 0.000 1.056 250 K CB 1.621 33.911 32.500 -0.351 0.000 1.235 250 K HN 0.066 nan 8.250 nan 0.000 0.547 251 P HA -0.010 nan 4.420 nan 0.000 0.267 251 P C -0.310 177.004 177.300 0.025 0.000 1.209 251 P CA -0.182 62.911 63.100 -0.013 0.000 0.763 251 P CB 0.964 32.669 31.700 0.009 0.000 0.816 252 V N 1.275 121.207 119.914 0.030 0.000 3.040 252 V HA 0.505 4.625 4.120 -0.000 0.000 0.312 252 V C -0.365 175.796 176.094 0.112 0.000 1.115 252 V CA -1.585 60.779 62.300 0.107 0.000 0.998 252 V CB 1.789 33.675 31.823 0.105 0.000 1.042 252 V HN 0.372 nan 8.190 nan 0.000 0.433 253 F N 2.245 122.195 119.950 0.000 0.000 2.571 253 F HA 0.457 4.984 4.527 -0.001 0.000 0.390 253 F C 0.385 176.121 175.800 -0.107 0.000 1.043 253 F CA 0.979 58.919 58.000 -0.100 0.000 1.164 253 F CB 0.239 39.025 39.000 -0.356 0.000 1.049 253 F HN 0.765 nan 8.300 nan 0.000 0.552 254 T N 8.024 122.266 114.554 -0.520 0.000 2.841 254 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 254 T C -0.974 173.420 174.700 -0.509 0.000 1.000 254 T CA -0.360 61.454 62.100 -0.477 0.000 0.977 254 T CB 1.094 69.798 68.868 -0.273 0.000 0.979 254 T HN 0.481 nan 8.240 nan 0.000 0.446 255 F N -0.460 119.099 119.950 -0.653 0.000 2.613 255 F HA 0.939 5.466 4.527 -0.000 0.000 0.314 255 F C 0.019 175.704 175.800 -0.192 0.000 1.075 255 F CA -1.229 56.501 58.000 -0.450 0.000 0.945 255 F CB 1.273 39.922 39.000 -0.584 0.000 1.310 255 F HN 0.760 nan 8.300 nan 0.000 0.467 256 G N -0.070 108.776 108.800 0.076 0.000 2.714 256 G HA2 0.527 4.487 3.960 -0.000 0.000 0.292 256 G HA3 0.527 4.487 3.960 -0.000 0.000 0.292 256 G C -2.192 172.826 174.900 0.197 0.000 1.308 256 G CA -0.918 44.231 45.100 0.082 0.000 0.964 256 G HN 0.903 nan 8.290 nan 0.000 0.484 257 E N 0.025 120.346 120.200 0.202 0.000 2.133 257 E HA 0.314 4.663 4.350 -0.000 0.000 0.274 257 E C -1.443 175.353 176.600 0.327 0.000 0.930 257 E CA -0.916 55.664 56.400 0.301 0.000 0.770 257 E CB 1.324 31.221 29.700 0.327 0.000 1.104 257 E HN 0.443 nan 8.360 nan 0.000 0.403 258 W N 7.830 129.245 121.300 0.192 0.000 2.499 258 W HA 0.318 4.978 4.660 -0.000 0.000 0.320 258 W C -1.887 174.822 176.519 0.317 0.000 1.010 258 W CA -1.272 56.178 57.345 0.174 0.000 1.267 258 W CB 0.593 30.113 29.460 0.100 0.000 1.316 258 W HN 0.500 nan 8.180 nan 0.000 0.431 259 F N 5.574 125.725 119.950 0.336 0.000 2.418 259 F HA 0.456 4.983 4.527 -0.000 0.000 0.341 259 F C -0.323 175.669 175.800 0.320 0.000 1.120 259 F CA 0.341 58.517 58.000 0.293 0.000 1.232 259 F CB 0.760 39.842 39.000 0.136 0.000 1.175 259 F HN 0.152 nan 8.300 nan 0.000 0.569 260 L N 4.252 125.356 121.223 -0.199 0.000 2.431 260 L HA 0.520 4.860 4.340 -0.000 0.000 0.266 260 L C 0.353 177.104 176.870 -0.197 0.000 0.978 260 L CA -0.867 53.904 54.840 -0.115 0.000 0.822 260 L CB 1.771 43.648 42.059 -0.303 0.000 1.310 260 L HN 0.731 nan 8.230 nan 0.000 0.409 261 G N 1.334 110.162 108.800 0.047 0.000 2.508 261 G HA2 0.408 4.368 3.960 -0.000 0.000 0.278 261 G HA3 0.408 4.368 3.960 -0.000 0.000 0.278 261 G C -0.224 174.675 174.900 -0.001 0.000 1.389 261 G CA -0.536 44.624 45.100 0.099 0.000 1.050 261 G HN 0.271 nan 8.290 nan 0.000 0.522 262 V N 1.003 120.933 119.914 0.027 0.000 2.529 262 V HA 0.038 4.158 4.120 -0.000 0.000 0.292 262 V C 1.046 177.135 176.094 -0.009 0.000 1.028 262 V CA 1.080 63.379 62.300 -0.001 0.000 1.074 262 V CB 0.139 31.967 31.823 0.009 0.000 0.958 262 V HN 0.973 nan 8.190 nan 0.000 0.481 263 N N 1.280 119.965 118.700 -0.025 0.000 2.815 263 N HA -0.218 4.522 4.740 -0.000 0.000 0.247 263 N C 0.475 175.972 175.510 -0.022 0.000 1.030 263 N CA 1.290 54.327 53.050 -0.023 0.000 0.881 263 N CB -0.458 38.020 38.487 -0.015 0.000 1.134 263 N HN 0.889 nan 8.380 nan 0.000 0.582 264 E N 1.571 121.754 120.200 -0.028 0.000 2.257 264 E HA 0.232 4.581 4.350 -0.000 0.000 0.278 264 E C -0.376 176.187 176.600 -0.062 0.000 1.049 264 E CA -0.239 56.149 56.400 -0.021 0.000 0.876 264 E CB 0.429 30.130 29.700 0.001 0.000 1.035 264 E HN 0.310 nan 8.360 nan 0.000 0.419 265 I N 1.987 122.537 120.570 -0.033 0.000 2.418 265 I HA 0.332 4.502 4.170 -0.000 0.000 0.287 265 I C -0.364 175.760 176.117 0.011 0.000 1.008 265 I CA -0.948 60.330 61.300 -0.037 0.000 1.104 265 I CB 1.771 39.768 38.000 -0.005 0.000 1.264 265 I HN 0.220 nan 8.210 nan 0.000 0.438 266 S N 6.352 122.050 115.700 -0.003 0.000 2.449 266 S HA 0.550 5.020 4.470 -0.000 0.000 0.310 266 S C -1.894 172.783 174.600 0.128 0.000 1.096 266 S CA -1.437 56.804 58.200 0.070 0.000 1.095 266 S CB 1.725 64.986 63.200 0.100 0.000 1.007 266 S HN 0.458 nan 8.310 nan 0.000 0.474 267 P HA -0.076 nan 4.420 nan 0.000 0.216 267 P C 1.248 178.590 177.300 0.070 0.000 1.153 267 P CA 0.802 63.972 63.100 0.116 0.000 0.844 267 P CB 0.103 31.848 31.700 0.076 0.000 0.787 268 E N -0.743 119.483 120.200 0.044 0.000 2.153 268 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 268 E C 2.045 178.378 176.600 -0.446 0.000 0.988 268 E CA 1.147 57.526 56.400 -0.034 0.000 0.811 268 E CB -1.451 28.373 29.700 0.207 0.000 0.746 268 E HN 0.369 nan 8.360 nan 0.000 0.466 269 Y N 2.314 122.118 120.300 -0.825 0.000 2.114 269 Y HA -0.244 4.305 4.550 -0.000 0.000 0.284 269 Y C 2.442 177.973 175.900 -0.614 0.000 1.143 269 Y CA 2.083 59.409 58.100 -1.290 0.000 1.135 269 Y CB -0.372 37.493 38.460 -0.992 0.000 0.980 269 Y HN 0.045 nan 8.280 nan 0.000 0.499 270 H N -0.110 118.890 119.070 -0.116 0.000 2.357 270 H HA -0.162 4.394 4.556 -0.000 0.000 0.301 270 H C 2.266 177.541 175.328 -0.088 0.000 1.082 270 H CA 1.711 57.693 56.048 -0.111 0.000 1.342 270 H CB -0.310 29.404 29.762 -0.079 0.000 1.389 270 H HN 0.479 nan 8.280 nan 0.000 0.511 271 Q N 0.607 120.419 119.800 0.020 0.000 2.124 271 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 271 Q C 2.244 178.269 176.000 0.041 0.000 0.977 271 Q CA 1.102 56.910 55.803 0.009 0.000 0.850 271 Q CB -0.486 28.238 28.738 -0.024 0.000 0.901 271 Q HN 0.382 nan 8.270 nan 0.000 0.429 272 F N 1.001 120.880 119.950 -0.119 0.000 2.102 272 F HA -0.159 4.368 4.527 -0.001 0.000 0.298 272 F C 2.281 178.107 175.800 0.043 0.000 1.105 272 F CA 1.868 59.910 58.000 0.070 0.000 1.239 272 F CB -0.377 38.591 39.000 -0.053 0.000 0.991 272 F HN 0.175 nan 8.300 nan 0.000 0.474 273 A N 0.099 122.933 122.820 0.022 0.000 1.972 273 A HA -0.200 4.119 4.320 -0.000 0.000 0.219 273 A C 1.864 179.465 177.584 0.028 0.000 1.169 273 A CA 1.947 53.994 52.037 0.017 0.000 0.635 273 A CB -0.754 18.300 19.000 0.090 0.000 0.810 273 A HN 0.504 nan 8.150 nan 0.000 0.446 274 N N -0.592 118.138 118.700 0.050 0.000 2.376 274 N HA -0.004 4.736 4.740 -0.000 0.000 0.177 274 N C 1.121 176.647 175.510 0.027 0.000 1.024 274 N CA 1.208 54.292 53.050 0.057 0.000 0.893 274 N CB 0.008 38.535 38.487 0.067 0.000 0.980 274 N HN 0.692 nan 8.380 nan 0.000 0.439 275 E N -1.083 119.135 120.200 0.030 0.000 2.572 275 E HA 0.108 4.458 4.350 -0.000 0.000 0.220 275 E C 1.212 177.832 176.600 0.033 0.000 0.945 275 E CA -0.048 56.407 56.400 0.091 0.000 1.070 275 E CB 0.484 30.314 29.700 0.216 0.000 1.090 275 E HN 0.228 nan 8.360 nan 0.000 0.506 276 S N -0.587 114.968 115.700 -0.241 0.000 2.414 276 S HA 0.089 4.558 4.470 -0.000 0.000 0.227 276 S C 1.806 176.137 174.600 -0.448 0.000 1.022 276 S CA 0.769 58.593 58.200 -0.626 0.000 0.958 276 S CB 0.264 62.666 63.200 -1.329 0.000 0.797 276 S HN 0.312 nan 8.310 nan 0.000 0.493 277 G N 1.295 109.916 108.800 -0.297 0.000 2.179 277 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 277 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 277 G C -0.060 174.726 174.900 -0.190 0.000 0.990 277 G CA 0.091 45.060 45.100 -0.217 0.000 0.646 277 G HN 0.899 nan 8.290 nan 0.000 0.517 278 M N 0.350 119.816 119.600 -0.223 0.000 2.662 278 M HA 0.844 5.324 4.480 -0.000 0.000 0.310 278 M C 0.407 176.652 176.300 -0.092 0.000 1.204 278 M CA -0.270 54.940 55.300 -0.150 0.000 0.891 278 M CB 2.064 34.603 32.600 -0.100 0.000 1.732 278 M HN 0.495 nan 8.290 nan 0.000 0.467 279 S N 1.738 117.396 115.700 -0.070 0.000 2.694 279 S HA 0.835 5.305 4.470 -0.000 0.000 0.278 279 S C -0.344 174.297 174.600 0.068 0.000 1.152 279 S CA -0.893 57.301 58.200 -0.009 0.000 1.010 279 S CB 0.954 64.151 63.200 -0.005 0.000 1.104 279 S HN 0.757 nan 8.310 nan 0.000 0.547 280 L N -0.212 121.042 121.223 0.051 0.000 2.327 280 L HA 0.500 4.840 4.340 -0.000 0.000 0.258 280 L C -0.783 176.170 176.870 0.138 0.000 1.024 280 L CA -1.065 53.850 54.840 0.125 0.000 0.825 280 L CB 1.662 43.726 42.059 0.008 0.000 1.386 280 L HN 0.567 nan 8.230 nan 0.000 0.417 281 L N 1.505 122.891 121.223 0.271 0.000 2.410 281 L HA 0.056 4.396 4.340 -0.000 0.000 0.273 281 L C 0.104 177.249 176.870 0.458 0.000 1.144 281 L CA 0.081 55.119 54.840 0.330 0.000 0.863 281 L CB 0.315 42.559 42.059 0.309 0.000 1.140 281 L HN 0.501 nan 8.230 nan 0.000 0.463 282 D N 4.017 124.703 120.400 0.477 0.000 2.551 282 D HA 0.020 4.660 4.640 -0.000 0.000 0.223 282 D C 1.097 177.662 176.300 0.443 0.000 1.144 282 D CA -0.170 54.073 54.000 0.404 0.000 1.025 282 D CB 0.665 41.547 40.800 0.135 0.000 1.085 282 D HN 0.369 nan 8.370 nan 0.000 0.506 283 L N 2.347 123.857 121.223 0.477 0.000 2.083 283 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 283 L C 2.311 179.214 176.870 0.056 0.000 1.083 283 L CA 1.190 56.153 54.840 0.205 0.000 0.752 283 L CB -0.633 41.442 42.059 0.026 0.000 0.899 283 L HN 0.449 nan 8.230 nan 0.000 0.433 284 R N -0.893 119.693 120.500 0.142 0.000 2.081 284 R HA -0.235 4.105 4.340 -0.000 0.000 0.235 284 R C 2.433 178.838 176.300 0.174 0.000 1.131 284 R CA 1.620 57.788 56.100 0.114 0.000 0.960 284 R CB -0.400 30.023 30.300 0.205 0.000 0.856 284 R HN 0.225 nan 8.270 nan 0.000 0.436 285 F N 0.896 120.900 119.950 0.090 0.000 2.113 285 F HA -0.114 4.413 4.527 -0.000 0.000 0.297 285 F C 2.203 177.981 175.800 -0.037 0.000 1.103 285 F CA 1.633 59.673 58.000 0.066 0.000 1.248 285 F CB -0.352 38.680 39.000 0.053 0.000 0.999 285 F HN 0.110 nan 8.300 nan 0.000 0.475 286 A N 0.112 122.946 122.820 0.023 0.000 1.908 286 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 286 A C 2.124 179.651 177.584 -0.095 0.000 1.181 286 A CA 1.736 53.617 52.037 -0.259 0.000 0.627 286 A CB -0.785 17.637 19.000 -0.964 0.000 0.818 286 A HN 0.522 nan 8.150 nan 0.000 0.445 287 Q N -0.542 119.213 119.800 -0.074 0.000 2.079 287 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 287 Q C 2.048 178.027 176.000 -0.035 0.000 0.974 287 Q CA 1.830 57.610 55.803 -0.037 0.000 0.840 287 Q CB -0.383 28.324 28.738 -0.052 0.000 0.898 287 Q HN 0.622 nan 8.270 nan 0.000 0.430 288 K N 1.077 121.445 120.400 -0.055 0.000 2.103 288 K HA 0.034 4.354 4.320 -0.000 0.000 0.204 288 K C 1.872 178.402 176.600 -0.116 0.000 1.052 288 K CA 1.164 57.399 56.287 -0.087 0.000 0.945 288 K CB -0.455 31.993 32.500 -0.087 0.000 0.722 288 K HN 0.115 nan 8.250 nan 0.000 0.443 289 A N 0.902 123.665 122.820 -0.094 0.000 1.908 289 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 289 A C 2.111 179.837 177.584 0.237 0.000 1.181 289 A CA 1.779 53.860 52.037 0.075 0.000 0.627 289 A CB -0.455 18.615 19.000 0.116 0.000 0.818 289 A HN 0.364 nan 8.150 nan 0.000 0.445 290 R N -0.731 119.876 120.500 0.178 0.000 2.090 290 R HA -0.068 4.272 4.340 -0.000 0.000 0.228 290 R C 2.434 178.735 176.300 0.001 0.000 1.110 290 R CA 1.333 57.516 56.100 0.138 0.000 0.973 290 R CB -0.283 30.054 30.300 0.063 0.000 0.869 290 R HN 0.672 nan 8.270 nan 0.000 0.440 291 Q N 0.047 119.825 119.800 -0.037 0.000 2.124 291 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 291 Q C 2.104 178.024 176.000 -0.133 0.000 0.977 291 Q CA 1.461 57.216 55.803 -0.080 0.000 0.850 291 Q CB 0.102 28.790 28.738 -0.083 0.000 0.901 291 Q HN 0.189 nan 8.270 nan 0.000 0.429 292 V N -0.589 119.186 119.914 -0.231 0.000 2.379 292 V HA -0.129 3.991 4.120 -0.000 0.000 0.243 292 V C 1.565 177.394 176.094 -0.441 0.000 1.035 292 V CA 1.485 63.517 62.300 -0.448 0.000 1.035 292 V CB -0.300 31.060 31.823 -0.771 0.000 0.673 292 V HN 0.260 nan 8.190 nan 0.000 0.457 293 F N -0.722 119.234 119.950 0.010 0.000 2.698 293 F HA 0.184 4.711 4.527 -0.000 0.000 0.295 293 F C 2.421 178.316 175.800 0.159 0.000 1.124 293 F CA 0.729 58.807 58.000 0.129 0.000 1.426 293 F CB 0.194 39.344 39.000 0.250 0.000 1.120 293 F HN -0.067 nan 8.300 nan 0.000 0.583 294 R N -0.009 120.555 120.500 0.107 0.000 2.191 294 R HA 0.034 4.374 4.340 -0.000 0.000 0.187 294 R C 1.156 177.372 176.300 -0.141 0.000 1.078 294 R CA 0.639 56.614 56.100 -0.207 0.000 1.139 294 R CB 0.062 29.892 30.300 -0.783 0.000 1.120 294 R HN -0.002 nan 8.270 nan 0.000 0.536 295 D N 0.554 120.881 120.400 -0.123 0.000 2.305 295 D HA -0.061 4.579 4.640 -0.000 0.000 0.206 295 D C -0.069 176.193 176.300 -0.064 0.000 0.974 295 D CA 0.448 54.393 54.000 -0.093 0.000 0.871 295 D CB -0.182 40.567 40.800 -0.085 0.000 0.947 295 D HN 0.220 nan 8.370 nan 0.000 0.516 296 N N 0.688 119.349 118.700 -0.065 0.000 2.727 296 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 296 N C 0.259 175.735 175.510 -0.057 0.000 1.040 296 N CA 1.104 54.117 53.050 -0.063 0.000 0.712 296 N CB -1.548 36.916 38.487 -0.038 0.000 0.912 296 N HN 0.226 nan 8.380 nan 0.000 0.545 297 T N -4.267 110.249 114.554 -0.064 0.000 3.054 297 T HA 0.300 4.650 4.350 -0.000 0.000 0.255 297 T C 0.161 174.827 174.700 -0.057 0.000 1.035 297 T CA 0.068 62.137 62.100 -0.052 0.000 0.941 297 T CB 0.670 69.510 68.868 -0.046 0.000 1.026 297 T HN 0.292 nan 8.240 nan 0.000 0.533 298 D N 0.969 121.322 120.400 -0.080 0.000 2.599 298 D HA 0.407 5.046 4.640 -0.000 0.000 0.252 298 D C -1.378 174.852 176.300 -0.116 0.000 1.232 298 D CA -0.546 53.405 54.000 -0.082 0.000 0.819 298 D CB 1.971 42.719 40.800 -0.087 0.000 1.401 298 D HN 0.274 nan 8.370 nan 0.000 0.429 299 N N -0.145 118.499 118.700 -0.093 0.000 2.906 299 N HA 0.263 5.003 4.740 -0.000 0.000 0.327 299 N C 0.871 176.283 175.510 -0.164 0.000 1.344 299 N CA -0.494 52.492 53.050 -0.107 0.000 0.823 299 N CB 0.297 38.778 38.487 -0.010 0.000 1.351 299 N HN 0.184 nan 8.380 nan 0.000 0.604 300 M N -0.848 118.629 119.600 -0.205 0.000 2.279 300 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 300 M C 1.143 177.255 176.300 -0.313 0.000 1.062 300 M CA 1.414 56.537 55.300 -0.295 0.000 1.099 300 M CB -1.291 31.132 32.600 -0.296 0.000 1.394 300 M HN 0.553 nan 8.290 nan 0.000 0.426 301 Y N -0.066 120.182 120.300 -0.085 0.000 2.242 301 Y HA -0.102 4.448 4.550 -0.000 0.000 0.291 301 Y C 2.578 178.438 175.900 -0.067 0.000 1.137 301 Y CA 1.318 59.380 58.100 -0.064 0.000 1.181 301 Y CB -0.886 37.538 38.460 -0.060 0.000 0.989 301 Y HN 0.314 nan 8.280 nan 0.000 0.527 302 G N -0.267 108.556 108.800 0.039 0.000 2.402 302 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 302 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 302 G C 1.601 176.466 174.900 -0.059 0.000 1.162 302 G CA 0.896 45.987 45.100 -0.014 0.000 0.777 302 G HN 0.313 nan 8.290 nan 0.000 0.539 303 L N 0.801 121.941 121.223 -0.139 0.000 2.012 303 L HA -0.001 4.338 4.340 -0.000 0.000 0.210 303 L C 2.766 179.596 176.870 -0.067 0.000 1.073 303 L CA 2.529 57.266 54.840 -0.172 0.000 0.748 303 L CB -0.394 41.465 42.059 -0.333 0.000 0.891 303 L HN 0.280 nan 8.230 nan 0.000 0.431 304 K N -0.680 119.685 120.400 -0.059 0.000 2.032 304 K HA -0.207 4.112 4.320 -0.000 0.000 0.209 304 K C 1.970 178.597 176.600 0.046 0.000 1.048 304 K CA 1.534 57.822 56.287 0.002 0.000 0.927 304 K CB -0.318 32.170 32.500 -0.020 0.000 0.712 304 K HN 0.402 nan 8.250 nan 0.000 0.441 305 A N 1.741 124.591 122.820 0.050 0.000 1.933 305 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 305 A C 2.150 179.763 177.584 0.049 0.000 1.175 305 A CA 1.640 53.709 52.037 0.053 0.000 0.628 305 A CB -0.571 18.458 19.000 0.048 0.000 0.814 305 A HN 0.522 nan 8.150 nan 0.000 0.444 306 M N -0.190 119.438 119.600 0.046 0.000 2.123 306 M HA -0.022 4.457 4.480 -0.000 0.000 0.263 306 M C 1.930 178.308 176.300 0.129 0.000 1.069 306 M CA 1.696 57.042 55.300 0.077 0.000 1.133 306 M CB -0.927 31.706 32.600 0.056 0.000 1.356 306 M HN 0.396 nan 8.290 nan 0.000 0.415 307 L N 0.081 121.381 121.223 0.128 0.000 2.083 307 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 307 L C 2.327 179.278 176.870 0.135 0.000 1.083 307 L CA 1.328 56.263 54.840 0.160 0.000 0.752 307 L CB -0.626 41.509 42.059 0.127 0.000 0.899 307 L HN 0.350 nan 8.230 nan 0.000 0.433 308 E N -0.091 120.171 120.200 0.103 0.000 2.047 308 E HA -0.150 4.199 4.350 -0.000 0.000 0.191 308 E C 2.239 178.883 176.600 0.073 0.000 0.987 308 E CA 1.036 57.489 56.400 0.089 0.000 0.799 308 E CB -0.297 29.450 29.700 0.078 0.000 0.752 308 E HN 0.526 nan 8.360 nan 0.000 0.449 309 G N 0.971 109.807 108.800 0.060 0.000 2.418 309 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 309 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 309 G C 1.713 176.629 174.900 0.026 0.000 1.158 309 G CA 1.161 46.275 45.100 0.023 0.000 0.771 309 G HN 0.383 nan 8.290 nan 0.000 0.545 310 S N -0.058 115.708 115.700 0.109 0.000 2.481 310 S HA 0.035 4.505 4.470 -0.000 0.000 0.231 310 S C 1.886 176.638 174.600 0.254 0.000 0.996 310 S CA 1.310 59.623 58.200 0.188 0.000 0.942 310 S CB 0.002 63.452 63.200 0.417 0.000 0.768 310 S HN 0.524 nan 8.310 nan 0.000 0.520 311 E N 0.541 120.848 120.200 0.179 0.000 2.268 311 E HA -0.053 4.297 4.350 -0.000 0.000 0.195 311 E C 1.437 178.102 176.600 0.109 0.000 0.995 311 E CA 0.922 57.417 56.400 0.159 0.000 0.836 311 E CB 0.059 29.833 29.700 0.123 0.000 0.763 311 E HN 0.504 nan 8.360 nan 0.000 0.491 312 V N 0.901 120.849 119.914 0.056 0.000 2.575 312 V HA -0.111 4.009 4.120 -0.000 0.000 0.242 312 V C 1.426 177.497 176.094 -0.038 0.000 1.045 312 V CA 1.323 63.626 62.300 0.006 0.000 1.065 312 V CB -0.061 31.753 31.823 -0.017 0.000 0.717 312 V HN 0.160 nan 8.190 nan 0.000 0.467 313 D N -1.042 119.284 120.400 -0.123 0.000 2.224 313 D HA -0.042 4.598 4.640 -0.000 0.000 0.205 313 D C 0.259 176.437 176.300 -0.202 0.000 0.965 313 D CA 0.854 54.671 54.000 -0.305 0.000 0.852 313 D CB -0.083 40.302 40.800 -0.692 0.000 0.947 313 D HN 0.415 nan 8.370 nan 0.000 0.494 314 Y N 0.218 120.573 120.300 0.092 0.000 2.341 314 Y HA 0.421 4.971 4.550 -0.000 0.000 0.340 314 Y C 1.277 177.211 175.900 0.057 0.000 0.997 314 Y CA -0.835 57.347 58.100 0.137 0.000 1.149 314 Y CB 1.535 40.080 38.460 0.143 0.000 1.171 314 Y HN -0.182 nan 8.280 nan 0.000 0.494 315 A N 2.741 125.675 122.820 0.190 0.000 1.933 315 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 315 A C 0.725 178.344 177.584 0.058 0.000 1.175 315 A CA 1.303 53.388 52.037 0.080 0.000 0.628 315 A CB -0.209 18.824 19.000 0.055 0.000 0.814 315 A HN 0.749 nan 8.150 nan 0.000 0.444 316 Q N -1.157 118.719 119.800 0.126 0.000 2.700 316 Q HA 0.417 4.757 4.340 -0.000 0.000 0.249 316 Q C 0.332 176.405 176.000 0.120 0.000 1.033 316 Q CA -0.118 55.755 55.803 0.117 0.000 0.804 316 Q CB 1.322 30.169 28.738 0.180 0.000 1.164 316 Q HN 0.117 nan 8.270 nan 0.000 0.500 317 V N 1.777 121.766 119.914 0.124 0.000 2.759 317 V HA -0.175 3.945 4.120 -0.000 0.000 0.256 317 V C 0.829 176.917 176.094 -0.010 0.000 1.080 317 V CA 1.559 63.892 62.300 0.055 0.000 1.101 317 V CB 0.089 32.008 31.823 0.160 0.000 0.698 317 V HN 0.699 nan 8.190 nan 0.000 0.477 318 N N 0.541 119.284 118.700 0.072 0.000 2.571 318 N HA -0.052 4.688 4.740 -0.000 0.000 0.189 318 N C 0.954 176.471 175.510 0.012 0.000 1.154 318 N CA 0.902 53.981 53.050 0.048 0.000 0.907 318 N CB -0.110 38.468 38.487 0.152 0.000 0.977 318 N HN 0.540 nan 8.380 nan 0.000 0.449 319 D N -0.104 120.321 120.400 0.042 0.000 2.369 319 D HA 0.036 4.676 4.640 -0.000 0.000 0.211 319 D C 0.018 176.349 176.300 0.052 0.000 1.077 319 D CA 0.190 54.258 54.000 0.113 0.000 0.842 319 D CB 0.428 41.367 40.800 0.231 0.000 0.947 319 D HN 0.118 nan 8.370 nan 0.000 0.509 320 Q N 0.741 120.454 119.800 -0.144 0.000 2.288 320 Q HA 0.269 4.609 4.340 -0.000 0.000 0.254 320 Q C 0.020 175.900 176.000 -0.200 0.000 0.932 320 Q CA -0.394 55.264 55.803 -0.242 0.000 0.902 320 Q CB 2.133 30.537 28.738 -0.557 0.000 1.203 320 Q HN -0.124 nan 8.270 nan 0.000 0.415 321 V N 3.191 123.004 119.914 -0.168 0.000 2.406 321 V HA 0.292 4.412 4.120 -0.000 0.000 0.272 321 V C 0.493 176.599 176.094 0.020 0.000 1.043 321 V CA -0.383 61.810 62.300 -0.179 0.000 0.915 321 V CB 0.946 32.492 31.823 -0.461 0.000 0.988 321 V HN 0.906 nan 8.190 nan 0.000 0.466 322 T N 2.765 117.264 114.554 -0.092 0.000 2.944 322 T HA 0.911 5.261 4.350 -0.000 0.000 0.284 322 T C -0.658 174.189 174.700 0.245 0.000 1.010 322 T CA -0.587 61.403 62.100 -0.183 0.000 1.025 322 T CB 1.857 70.048 68.868 -1.127 0.000 1.079 322 T HN 0.689 nan 8.240 nan 0.000 0.516 323 F N -1.343 118.688 119.950 0.134 0.000 2.799 323 F HA 0.517 5.043 4.527 -0.000 0.000 0.316 323 F C -0.027 175.981 175.800 0.347 0.000 1.155 323 F CA -1.390 56.746 58.000 0.227 0.000 0.916 323 F CB 0.757 39.904 39.000 0.246 0.000 1.294 323 F HN 0.561 nan 8.300 nan 0.000 0.447 324 I N -1.712 119.043 120.570 0.308 0.000 4.187 324 I HA 0.437 4.607 4.170 -0.000 0.000 0.326 324 I C -0.871 175.493 176.117 0.412 0.000 1.302 324 I CA 0.066 61.524 61.300 0.263 0.000 1.196 324 I CB 0.469 38.546 38.000 0.129 0.000 1.095 324 I HN 0.615 nan 8.210 nan 0.000 0.411 325 D N 0.729 121.436 120.400 0.512 0.000 2.639 325 D HA 0.450 5.090 4.640 -0.000 0.000 0.271 325 D C -1.048 175.433 176.300 0.302 0.000 1.254 325 D CA -0.653 53.616 54.000 0.450 0.000 0.810 325 D CB 0.914 41.933 40.800 0.365 0.000 1.351 325 D HN 0.269 nan 8.370 nan 0.000 0.427 326 N N -2.441 116.176 118.700 -0.138 0.000 3.378 326 N HA 0.127 4.866 4.740 -0.000 0.000 0.294 326 N C 0.865 175.817 175.510 -0.930 0.000 1.544 326 N CA -0.567 52.031 53.050 -0.753 0.000 0.872 326 N CB -0.123 38.161 38.487 -0.338 0.000 1.670 326 N HN 0.543 nan 8.380 nan 0.000 0.551 327 H N -1.712 116.900 119.070 -0.764 0.000 2.492 327 H HA -0.009 4.547 4.556 -0.000 0.000 0.296 327 H C -0.575 174.734 175.328 -0.032 0.000 1.095 327 H CA 1.396 57.331 56.048 -0.187 0.000 1.281 327 H CB -0.316 29.610 29.762 0.273 0.000 1.374 327 H HN 0.521 nan 8.280 nan 0.000 0.545 328 D N 0.639 120.704 120.400 -0.559 0.000 2.368 328 D HA 0.184 4.824 4.640 -0.000 0.000 0.218 328 D C 0.751 177.005 176.300 -0.076 0.000 1.112 328 D CA 0.114 53.937 54.000 -0.296 0.000 0.834 328 D CB 0.308 40.922 40.800 -0.310 0.000 0.953 328 D HN 0.580 nan 8.370 nan 0.000 0.505 329 M N -1.833 117.765 119.600 -0.004 0.000 2.644 329 M HA 0.440 4.919 4.480 -0.000 0.000 0.273 329 M C -0.793 175.551 176.300 0.072 0.000 1.253 329 M CA -0.994 54.361 55.300 0.091 0.000 0.852 329 M CB 2.066 34.809 32.600 0.237 0.000 1.708 329 M HN -0.370 nan 8.290 nan 0.000 0.471 330 E N 1.910 122.155 120.200 0.075 0.000 2.437 330 E HA 0.119 4.469 4.350 -0.000 0.000 0.263 330 E C -0.526 176.147 176.600 0.123 0.000 1.030 330 E CA -0.202 56.240 56.400 0.071 0.000 0.934 330 E CB 0.502 30.225 29.700 0.038 0.000 0.943 330 E HN 0.310 nan 8.360 nan 0.000 0.444 331 R N 1.833 122.418 120.500 0.142 0.000 2.640 331 R HA -0.066 4.274 4.340 -0.000 0.000 0.270 331 R C 0.871 177.303 176.300 0.219 0.000 1.024 331 R CA 0.244 56.474 56.100 0.216 0.000 1.085 331 R CB 0.054 30.464 30.300 0.183 0.000 0.963 331 R HN 0.648 nan 8.270 nan 0.000 0.426 332 F N 2.364 122.414 119.950 0.165 0.000 2.134 332 F HA -0.158 4.369 4.527 -0.001 0.000 0.299 332 F C 1.436 177.334 175.800 0.164 0.000 1.097 332 F CA 1.341 59.438 58.000 0.161 0.000 1.264 332 F CB -0.020 39.090 39.000 0.184 0.000 1.001 332 F HN 0.484 nan 8.300 nan 0.000 0.479 333 H N 1.414 120.724 119.070 0.401 0.000 2.767 333 H HA 0.167 4.722 4.556 -0.001 0.000 0.316 333 H C -0.155 175.260 175.328 0.144 0.000 1.059 333 H CA 0.295 56.524 56.048 0.302 0.000 1.461 333 H CB 0.665 30.616 29.762 0.315 0.000 1.475 333 H HN 0.246 nan 8.280 nan 0.000 0.531 334 T N 0.896 115.160 114.554 -0.483 0.000 2.910 334 T HA 0.136 4.486 4.350 -0.000 0.000 0.279 334 T C 1.553 176.003 174.700 -0.417 0.000 0.989 334 T CA -0.286 61.615 62.100 -0.331 0.000 0.968 334 T CB 1.119 69.867 68.868 -0.201 0.000 1.135 334 T HN 0.584 nan 8.240 nan 0.000 0.562 335 S N 1.085 116.675 115.700 -0.184 0.000 2.383 335 S HA -0.143 4.326 4.470 -0.000 0.000 0.227 335 S C 1.414 175.973 174.600 -0.069 0.000 1.026 335 S CA 0.988 59.130 58.200 -0.097 0.000 0.981 335 S CB -0.789 62.383 63.200 -0.046 0.000 0.818 335 S HN 0.905 nan 8.310 nan 0.000 0.472 336 N N 1.794 120.447 118.700 -0.078 0.000 2.251 336 N HA 0.254 4.994 4.740 -0.000 0.000 0.217 336 N C 0.250 175.741 175.510 -0.033 0.000 1.124 336 N CA 0.091 53.118 53.050 -0.038 0.000 0.843 336 N CB -0.245 38.224 38.487 -0.030 0.000 1.024 336 N HN 0.401 nan 8.380 nan 0.000 0.501 337 G N -0.474 108.280 108.800 -0.076 0.000 2.400 337 G HA2 0.202 4.162 3.960 -0.000 0.000 0.301 337 G HA3 0.202 4.162 3.960 -0.000 0.000 0.301 337 G C -0.877 174.113 174.900 0.149 0.000 1.154 337 G CA -0.429 44.667 45.100 -0.008 0.000 0.852 337 G HN 0.157 nan 8.290 nan 0.000 0.511 338 D N 0.637 121.136 120.400 0.165 0.000 2.389 338 D HA 0.068 4.708 4.640 -0.000 0.000 0.247 338 D C 1.463 177.925 176.300 0.270 0.000 1.128 338 D CA -0.272 53.833 54.000 0.176 0.000 0.884 338 D CB 1.033 41.908 40.800 0.125 0.000 1.194 338 D HN 0.369 nan 8.370 nan 0.000 0.441 339 R N 2.357 122.966 120.500 0.182 0.000 2.193 339 R HA -0.143 4.197 4.340 -0.000 0.000 0.229 339 R C 1.794 178.206 176.300 0.186 0.000 1.110 339 R CA 0.652 56.819 56.100 0.112 0.000 0.988 339 R CB 0.068 30.241 30.300 -0.211 0.000 0.871 339 R HN 0.246 nan 8.270 nan 0.000 0.458 340 R N 1.756 122.342 120.500 0.144 0.000 2.148 340 R HA -0.076 4.264 4.340 -0.000 0.000 0.227 340 R C 1.446 177.843 176.300 0.161 0.000 1.103 340 R CA 1.557 57.733 56.100 0.127 0.000 0.983 340 R CB -0.080 30.279 30.300 0.099 0.000 0.874 340 R HN 0.088 nan 8.270 nan 0.000 0.451 341 K N -0.286 120.261 120.400 0.244 0.000 2.057 341 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 341 K C 1.878 178.674 176.600 0.327 0.000 1.049 341 K CA 1.521 58.016 56.287 0.347 0.000 0.931 341 K CB -0.346 32.410 32.500 0.426 0.000 0.714 341 K HN 0.103 nan 8.250 nan 0.000 0.440 342 L N 1.957 123.377 121.223 0.328 0.000 2.017 342 L HA -0.170 4.169 4.340 -0.000 0.000 0.208 342 L C 1.796 178.584 176.870 -0.137 0.000 1.073 342 L CA 1.824 56.669 54.840 0.009 0.000 0.745 342 L CB -0.337 41.829 42.059 0.178 0.000 0.894 342 L HN 0.122 nan 8.230 nan 0.000 0.432 343 E N -0.784 119.421 120.200 0.009 0.000 2.058 343 E HA -0.286 4.063 4.350 -0.000 0.000 0.194 343 E C 2.162 178.706 176.600 -0.092 0.000 0.997 343 E CA 1.836 58.224 56.400 -0.020 0.000 0.801 343 E CB -0.199 29.538 29.700 0.061 0.000 0.746 343 E HN 0.662 nan 8.360 nan 0.000 0.450 344 Q N 0.005 119.741 119.800 -0.107 0.000 2.079 344 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 344 Q C 2.263 178.005 176.000 -0.430 0.000 0.974 344 Q CA 1.179 56.852 55.803 -0.216 0.000 0.840 344 Q CB -0.136 28.471 28.738 -0.219 0.000 0.898 344 Q HN 0.243 nan 8.270 nan 0.000 0.430 345 A N 0.882 123.384 122.820 -0.530 0.000 1.969 345 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 345 A C 2.039 179.463 177.584 -0.266 0.000 1.169 345 A CA 0.906 52.589 52.037 -0.591 0.000 0.635 345 A CB -0.470 18.112 19.000 -0.696 0.000 0.810 345 A HN 0.261 nan 8.150 nan 0.000 0.445 346 L N -1.096 119.980 121.223 -0.245 0.000 2.072 346 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 346 L C 3.081 179.906 176.870 -0.074 0.000 1.079 346 L CA 0.933 55.694 54.840 -0.131 0.000 0.752 346 L CB -0.446 41.533 42.059 -0.133 0.000 0.906 346 L HN 0.428 nan 8.230 nan 0.000 0.436 347 A N -0.238 122.534 122.820 -0.081 0.000 1.933 347 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 347 A C 2.130 179.739 177.584 0.042 0.000 1.175 347 A CA 1.385 53.396 52.037 -0.042 0.000 0.628 347 A CB -0.745 18.220 19.000 -0.058 0.000 0.814 347 A HN 0.402 nan 8.150 nan 0.000 0.444 348 F N 1.540 121.427 119.950 -0.106 0.000 2.075 348 F HA -0.150 4.377 4.527 -0.000 0.000 0.297 348 F C 2.437 178.336 175.800 0.165 0.000 1.113 348 F CA 2.353 60.376 58.000 0.039 0.000 1.218 348 F CB -0.915 37.980 39.000 -0.174 0.000 0.984 348 F HN 0.202 nan 8.300 nan 0.000 0.472 349 T N 1.645 116.178 114.554 -0.034 0.000 2.708 349 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 349 T C 2.166 176.801 174.700 -0.109 0.000 1.037 349 T CA 1.845 63.935 62.100 -0.016 0.000 1.146 349 T CB -0.629 68.313 68.868 0.123 0.000 0.865 349 T HN 0.260 nan 8.240 nan 0.000 0.435 350 L N 1.280 122.464 121.223 -0.066 0.000 2.275 350 L HA -0.047 4.293 4.340 -0.000 0.000 0.215 350 L C 2.561 179.383 176.870 -0.080 0.000 1.119 350 L CA 1.265 56.059 54.840 -0.076 0.000 0.790 350 L CB -0.670 41.350 42.059 -0.064 0.000 0.919 350 L HN 0.447 nan 8.230 nan 0.000 0.443 351 T N -5.846 108.681 114.554 -0.044 0.000 3.054 351 T HA 0.189 4.539 4.350 -0.000 0.000 0.255 351 T C 0.802 175.526 174.700 0.040 0.000 1.035 351 T CA -0.282 61.827 62.100 0.016 0.000 0.941 351 T CB 0.303 69.220 68.868 0.080 0.000 1.026 351 T HN -0.013 nan 8.240 nan 0.000 0.533 352 S N 2.356 117.988 115.700 -0.115 0.000 2.693 352 S HA 0.570 5.040 4.470 -0.000 0.000 0.276 352 S C 0.453 174.951 174.600 -0.171 0.000 1.192 352 S CA -1.056 57.036 58.200 -0.181 0.000 0.994 352 S CB 0.794 63.788 63.200 -0.344 0.000 1.012 352 S HN 0.592 nan 8.310 nan 0.000 0.550 353 R N 0.663 121.086 120.500 -0.128 0.000 2.694 353 R HA 0.608 4.948 4.340 -0.000 0.000 0.268 353 R C 0.541 176.709 176.300 -0.220 0.000 1.061 353 R CA 0.360 56.390 56.100 -0.117 0.000 1.133 353 R CB -1.227 29.057 30.300 -0.025 0.000 1.020 353 R HN 0.937 nan 8.270 nan 0.000 0.475 354 G N -0.226 108.458 108.800 -0.194 0.000 2.384 354 G HA2 -0.094 3.865 3.960 -0.000 0.000 0.204 354 G HA3 -0.094 3.865 3.960 -0.000 0.000 0.204 354 G C -1.595 173.163 174.900 -0.236 0.000 1.237 354 G CA -0.370 44.590 45.100 -0.235 0.000 1.060 354 G HN 0.654 nan 8.290 nan 0.000 0.514 355 V N 2.769 122.540 119.914 -0.239 0.000 2.357 355 V HA 0.536 4.656 4.120 -0.000 0.000 0.281 355 V C -1.984 174.010 176.094 -0.166 0.000 1.015 355 V CA -0.975 61.197 62.300 -0.213 0.000 0.827 355 V CB 1.709 33.375 31.823 -0.262 0.000 1.018 355 V HN 0.690 nan 8.190 nan 0.000 0.432 356 P HA 0.422 nan 4.420 nan 0.000 0.275 356 P C -0.709 176.628 177.300 0.061 0.000 1.227 356 P CA -0.042 63.021 63.100 -0.061 0.000 0.781 356 P CB 1.686 33.340 31.700 -0.076 0.000 0.906 357 A N 4.394 127.314 122.820 0.168 0.000 2.343 357 A HA 0.660 4.979 4.320 -0.000 0.000 0.316 357 A C -0.660 177.099 177.584 0.292 0.000 1.104 357 A CA -0.662 51.547 52.037 0.286 0.000 0.768 357 A CB 0.785 20.042 19.000 0.428 0.000 1.213 357 A HN 0.349 nan 8.150 nan 0.000 0.456 358 I N 2.432 123.159 120.570 0.263 0.000 2.378 358 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 358 I C -0.600 175.616 176.117 0.165 0.000 0.992 358 I CA -0.703 60.730 61.300 0.222 0.000 1.154 358 I CB 1.049 39.190 38.000 0.235 0.000 1.315 358 I HN 0.693 nan 8.210 nan 0.000 0.448 359 Y N 8.338 128.652 120.300 0.024 0.000 2.377 359 Y HA 0.150 4.699 4.550 -0.000 0.000 0.330 359 Y C 0.211 175.991 175.900 -0.200 0.000 1.108 359 Y CA -0.907 57.166 58.100 -0.046 0.000 1.308 359 Y CB 0.250 38.738 38.460 0.047 0.000 1.216 359 Y HN 0.491 nan 8.280 nan 0.000 0.518 360 Y N 3.635 123.532 120.300 -0.672 0.000 2.890 360 Y HA 0.307 4.857 4.550 -0.000 0.000 0.341 360 Y C 1.164 176.895 175.900 -0.282 0.000 1.269 360 Y CA -0.410 57.310 58.100 -0.634 0.000 1.517 360 Y CB -0.083 38.119 38.460 -0.430 0.000 1.314 360 Y HN 0.917 nan 8.280 nan 0.000 0.622 361 G N 1.367 110.100 108.800 -0.112 0.000 2.234 361 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.260 361 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.260 361 G C 1.218 176.021 174.900 -0.162 0.000 0.987 361 G CA 0.623 45.597 45.100 -0.210 0.000 0.625 361 G HN 0.812 nan 8.290 nan 0.000 0.532 362 S N 1.160 116.785 115.700 -0.126 0.000 2.374 362 S HA -0.144 4.326 4.470 -0.000 0.000 0.227 362 S C 2.088 176.562 174.600 -0.209 0.000 1.037 362 S CA 1.863 60.007 58.200 -0.093 0.000 1.024 362 S CB -0.261 62.932 63.200 -0.012 0.000 0.861 362 S HN 0.892 nan 8.310 nan 0.000 0.456 363 E N 0.717 120.857 120.200 -0.100 0.000 2.515 363 E HA -0.121 4.229 4.350 -0.000 0.000 0.201 363 E C 0.621 177.113 176.600 -0.180 0.000 1.071 363 E CA 0.721 57.037 56.400 -0.140 0.000 0.880 363 E CB -0.154 29.602 29.700 0.095 0.000 0.828 363 E HN 0.413 nan 8.360 nan 0.000 0.540 364 Q N -0.166 119.551 119.800 -0.138 0.000 2.159 364 Q HA 0.088 4.428 4.340 -0.000 0.000 0.217 364 Q C -0.605 175.433 176.000 0.062 0.000 0.818 364 Q CA -0.517 55.282 55.803 -0.006 0.000 1.008 364 Q CB -0.239 28.505 28.738 0.010 0.000 1.148 364 Q HN 0.332 nan 8.270 nan 0.000 0.491 365 Y N -0.744 119.540 120.300 -0.026 0.000 3.225 365 Y HA -0.292 4.258 4.550 -0.001 0.000 0.211 365 Y C 0.361 176.302 175.900 0.068 0.000 1.223 365 Y CA 0.187 58.244 58.100 -0.072 0.000 1.284 365 Y CB -2.417 35.888 38.460 -0.258 0.000 1.367 365 Y HN 0.228 nan 8.280 nan 0.000 0.566 366 M N 1.082 120.745 119.600 0.106 0.000 2.252 366 M HA 0.133 4.613 4.480 -0.000 0.000 0.348 366 M C 0.670 177.068 176.300 0.163 0.000 1.334 366 M CA 0.808 56.152 55.300 0.074 0.000 1.071 366 M CB 0.443 32.994 32.600 -0.082 0.000 1.763 366 M HN 0.407 nan 8.290 nan 0.000 0.452 367 S N 1.784 117.574 115.700 0.150 0.000 2.664 367 S HA 1.005 5.475 4.470 -0.000 0.000 0.304 367 S C -0.134 174.497 174.600 0.052 0.000 1.099 367 S CA -0.613 57.653 58.200 0.111 0.000 1.003 367 S CB 2.188 65.421 63.200 0.055 0.000 1.092 367 S HN 1.013 nan 8.310 nan 0.000 0.525 368 G N -0.853 107.970 108.800 0.039 0.000 2.386 368 G HA2 0.509 4.469 3.960 -0.000 0.000 0.302 368 G HA3 0.509 4.469 3.960 -0.000 0.000 0.302 368 G C -0.251 174.666 174.900 0.027 0.000 1.629 368 G CA -0.368 44.746 45.100 0.023 0.000 0.917 368 G HN 0.961 nan 8.290 nan 0.000 0.676 369 G N 0.088 108.895 108.800 0.011 0.000 2.485 369 G HA2 0.448 4.408 3.960 -0.000 0.000 0.260 369 G HA3 0.448 4.408 3.960 -0.000 0.000 0.260 369 G C 0.350 175.259 174.900 0.014 0.000 1.459 369 G CA -0.549 44.555 45.100 0.008 0.000 1.060 369 G HN 0.683 nan 8.290 nan 0.000 0.546 370 N N 0.293 118.994 118.700 0.001 0.000 2.326 370 N HA 0.045 4.785 4.740 -0.000 0.000 0.239 370 N C 0.072 175.577 175.510 -0.007 0.000 1.301 370 N CA -0.232 52.813 53.050 -0.008 0.000 0.909 370 N CB 0.387 38.855 38.487 -0.031 0.000 1.156 370 N HN 0.500 nan 8.380 nan 0.000 0.462 371 D N 0.754 121.149 120.400 -0.009 0.000 2.877 371 D HA -0.099 4.541 4.640 -0.000 0.000 0.220 371 D C -1.513 174.790 176.300 0.005 0.000 1.089 371 D CA -0.372 53.634 54.000 0.010 0.000 0.811 371 D CB 0.563 41.369 40.800 0.011 0.000 1.162 371 D HN 0.324 nan 8.370 nan 0.000 0.513 372 P HA 0.080 nan 4.420 nan 0.000 0.262 372 P C 0.077 177.365 177.300 -0.020 0.000 1.304 372 P CA -0.069 63.041 63.100 0.017 0.000 0.859 372 P CB 0.505 32.214 31.700 0.015 0.000 1.310 373 D N 1.509 121.902 120.400 -0.013 0.000 2.264 373 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 373 D C 1.234 177.535 176.300 0.001 0.000 0.966 373 D CA 0.983 54.974 54.000 -0.014 0.000 0.864 373 D CB -0.344 40.451 40.800 -0.009 0.000 0.933 373 D HN 0.375 nan 8.370 nan 0.000 0.499 374 N N 0.462 119.179 118.700 0.028 0.000 2.461 374 N HA -0.072 4.667 4.740 -0.000 0.000 0.188 374 N C 0.503 176.066 175.510 0.089 0.000 1.134 374 N CA 0.127 53.232 53.050 0.091 0.000 0.878 374 N CB -0.175 38.398 38.487 0.144 0.000 0.972 374 N HN 0.068 nan 8.380 nan 0.000 0.456 375 R N -0.006 120.488 120.500 -0.011 0.000 2.767 375 R HA 0.445 4.785 4.340 -0.000 0.000 0.377 375 R C -0.154 176.136 176.300 -0.016 0.000 1.151 375 R CA -0.327 55.736 56.100 -0.063 0.000 1.046 375 R CB 0.769 30.902 30.300 -0.278 0.000 1.404 375 R HN 0.147 nan 8.270 nan 0.000 0.580 376 A N 1.303 124.117 122.820 -0.010 0.000 2.386 376 A HA 0.185 4.505 4.320 -0.000 0.000 0.246 376 A C 0.158 177.787 177.584 0.075 0.000 1.089 376 A CA -0.346 51.683 52.037 -0.014 0.000 0.790 376 A CB 0.285 19.262 19.000 -0.038 0.000 1.042 376 A HN 0.439 nan 8.150 nan 0.000 0.497 377 R N 0.585 121.104 120.500 0.032 0.000 2.537 377 R HA 0.268 4.608 4.340 -0.000 0.000 0.280 377 R C -0.076 176.250 176.300 0.044 0.000 1.058 377 R CA -0.254 55.888 56.100 0.070 0.000 1.057 377 R CB -0.004 30.298 30.300 0.004 0.000 0.973 377 R HN 0.731 nan 8.270 nan 0.000 0.438 378 L N 5.492 126.766 121.223 0.085 0.000 2.380 378 L HA 0.370 4.710 4.340 -0.000 0.000 0.273 378 L C -1.795 174.916 176.870 -0.264 0.000 1.138 378 L CA -1.233 53.556 54.840 -0.084 0.000 0.832 378 L CB 1.223 43.269 42.059 -0.022 0.000 1.124 378 L HN 0.602 nan 8.230 nan 0.000 0.454 379 P HA 0.005 nan 4.420 nan 0.000 0.227 379 P C 0.177 177.333 177.300 -0.240 0.000 1.161 379 P CA 0.443 63.435 63.100 -0.179 0.000 0.788 379 P CB 0.411 32.054 31.700 -0.096 0.000 0.822 380 S N -1.477 113.996 115.700 -0.379 0.000 2.550 380 S HA 0.525 4.994 4.470 -0.000 0.000 0.270 380 S C -1.369 172.880 174.600 -0.584 0.000 1.145 380 S CA -0.601 57.404 58.200 -0.324 0.000 0.852 380 S CB 0.342 63.472 63.200 -0.117 0.000 1.119 380 S HN -0.179 nan 8.310 nan 0.000 0.465 381 F N 2.344 122.187 119.950 -0.178 0.000 2.923 381 F HA 0.398 4.924 4.527 -0.000 0.000 0.314 381 F C 1.142 176.934 175.800 -0.014 0.000 1.196 381 F CA -0.390 57.408 58.000 -0.338 0.000 1.320 381 F CB 0.741 39.390 39.000 -0.584 0.000 0.953 381 F HN 0.513 nan 8.300 nan 0.000 0.505 382 S N 0.627 116.402 115.700 0.125 0.000 2.498 382 S HA 0.054 4.524 4.470 -0.000 0.000 0.281 382 S C 1.395 175.964 174.600 -0.053 0.000 1.265 382 S CA 0.075 58.309 58.200 0.056 0.000 1.071 382 S CB 0.318 63.539 63.200 0.034 0.000 0.894 382 S HN 0.509 nan 8.310 nan 0.000 0.491 383 T N 0.901 115.295 114.554 -0.267 0.000 3.144 383 T HA 0.069 4.419 4.350 -0.000 0.000 0.249 383 T C 1.137 175.475 174.700 -0.603 0.000 1.089 383 T CA 0.459 61.999 62.100 -0.932 0.000 0.989 383 T CB -0.410 68.058 68.868 -0.666 0.000 0.992 383 T HN 0.682 nan 8.240 nan 0.000 0.540 384 T N -0.443 113.980 114.554 -0.218 0.000 3.129 384 T HA 0.219 4.569 4.350 -0.000 0.000 0.267 384 T C 0.812 175.532 174.700 0.034 0.000 1.018 384 T CA -0.158 61.901 62.100 -0.068 0.000 0.903 384 T CB -0.349 68.495 68.868 -0.039 0.000 1.067 384 T HN 0.520 nan 8.240 nan 0.000 0.549 385 T N -0.456 114.152 114.554 0.090 0.000 2.860 385 T HA 0.216 4.566 4.350 -0.000 0.000 0.299 385 T C 1.420 176.249 174.700 0.215 0.000 1.045 385 T CA -0.103 62.120 62.100 0.205 0.000 1.071 385 T CB 0.968 70.023 68.868 0.311 0.000 0.985 385 T HN 0.066 nan 8.240 nan 0.000 0.537 386 T N 1.791 116.486 114.554 0.235 0.000 2.746 386 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 386 T C 2.419 177.215 174.700 0.161 0.000 1.039 386 T CA 1.349 63.558 62.100 0.181 0.000 1.142 386 T CB -0.812 68.160 68.868 0.173 0.000 0.866 386 T HN 0.822 nan 8.240 nan 0.000 0.444 387 A N 0.439 123.361 122.820 0.170 0.000 1.933 387 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 387 A C 2.083 179.665 177.584 -0.004 0.000 1.175 387 A CA 1.533 53.547 52.037 -0.038 0.000 0.628 387 A CB -1.052 17.694 19.000 -0.424 0.000 0.814 387 A HN 0.617 nan 8.150 nan 0.000 0.444 388 Y N 0.424 120.691 120.300 -0.055 0.000 2.181 388 Y HA -0.257 4.292 4.550 -0.000 0.000 0.288 388 Y C 2.616 178.484 175.900 -0.053 0.000 1.146 388 Y CA 2.322 60.388 58.100 -0.057 0.000 1.164 388 Y CB -0.216 38.227 38.460 -0.028 0.000 0.982 388 Y HN 0.421 nan 8.280 nan 0.000 0.515 389 Q N -0.858 119.073 119.800 0.219 0.000 2.124 389 Q HA -0.177 4.162 4.340 -0.000 0.000 0.202 389 Q C 2.308 178.313 176.000 0.008 0.000 0.977 389 Q CA 1.805 57.679 55.803 0.118 0.000 0.850 389 Q CB -0.267 28.540 28.738 0.116 0.000 0.901 389 Q HN 0.394 nan 8.270 nan 0.000 0.429 390 V N 1.061 120.969 119.914 -0.009 0.000 2.287 390 V HA -0.277 3.842 4.120 -0.000 0.000 0.248 390 V C 2.111 178.153 176.094 -0.086 0.000 1.053 390 V CA 1.731 64.004 62.300 -0.045 0.000 1.027 390 V CB -0.432 31.366 31.823 -0.042 0.000 0.646 390 V HN 0.324 nan 8.190 nan 0.000 0.447 391 I N -0.389 120.102 120.570 -0.131 0.000 2.286 391 I HA -0.261 3.908 4.170 -0.000 0.000 0.245 391 I C 2.632 178.633 176.117 -0.193 0.000 1.104 391 I CA 1.658 62.856 61.300 -0.170 0.000 1.397 391 I CB -0.426 37.437 38.000 -0.229 0.000 1.072 391 I HN 0.360 nan 8.210 nan 0.000 0.417 392 Q N 1.545 121.209 119.800 -0.227 0.000 2.096 392 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 392 Q C 2.106 178.046 176.000 -0.099 0.000 0.982 392 Q CA 1.834 57.531 55.803 -0.176 0.000 0.850 392 Q CB 0.071 28.747 28.738 -0.102 0.000 0.901 392 Q HN 0.417 nan 8.270 nan 0.000 0.422 393 K N -0.302 120.053 120.400 -0.074 0.000 2.103 393 K HA -0.015 4.305 4.320 -0.000 0.000 0.204 393 K C 2.007 178.563 176.600 -0.072 0.000 1.052 393 K CA 1.001 57.252 56.287 -0.059 0.000 0.945 393 K CB 0.158 32.630 32.500 -0.048 0.000 0.722 393 K HN 0.243 nan 8.250 nan 0.000 0.443 394 L N -0.411 120.761 121.223 -0.085 0.000 2.253 394 L HA 0.098 4.438 4.340 -0.000 0.000 0.205 394 L C 2.421 179.236 176.870 -0.092 0.000 1.078 394 L CA 0.396 55.184 54.840 -0.086 0.000 0.805 394 L CB -0.346 41.662 42.059 -0.085 0.000 0.963 394 L HN 0.114 nan 8.230 nan 0.000 0.459 395 A N 1.375 124.135 122.820 -0.101 0.000 1.940 395 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 395 A C -0.102 177.419 177.584 -0.105 0.000 1.176 395 A CA 1.617 53.592 52.037 -0.103 0.000 0.631 395 A CB -1.778 17.155 19.000 -0.111 0.000 0.814 395 A HN 0.293 nan 8.150 nan 0.000 0.446 396 P HA -0.102 nan 4.420 nan 0.000 0.228 396 P C 1.150 178.393 177.300 -0.095 0.000 1.151 396 P CA 0.728 63.773 63.100 -0.092 0.000 0.770 396 P CB -0.199 31.456 31.700 -0.076 0.000 0.786 397 L N -1.020 120.147 121.223 -0.094 0.000 2.465 397 L HA 0.006 4.346 4.340 -0.000 0.000 0.224 397 L C 2.832 179.627 176.870 -0.126 0.000 1.145 397 L CA 0.606 55.390 54.840 -0.094 0.000 0.834 397 L CB -0.623 41.388 42.059 -0.080 0.000 0.944 397 L HN -0.083 nan 8.230 nan 0.000 0.451 398 R N 0.336 120.748 120.500 -0.147 0.000 2.092 398 R HA -0.076 4.264 4.340 -0.000 0.000 0.231 398 R C 2.045 178.208 176.300 -0.228 0.000 1.119 398 R CA 0.834 56.813 56.100 -0.202 0.000 0.970 398 R CB -0.024 30.159 30.300 -0.195 0.000 0.864 398 R HN 0.301 nan 8.270 nan 0.000 0.440 399 K N 0.135 120.429 120.400 -0.176 0.000 2.186 399 K HA 0.012 4.332 4.320 -0.000 0.000 0.202 399 K C 2.077 178.596 176.600 -0.135 0.000 1.052 399 K CA 1.297 57.485 56.287 -0.164 0.000 0.965 399 K CB 0.057 32.477 32.500 -0.134 0.000 0.746 399 K HN 0.160 nan 8.250 nan 0.000 0.457 400 S N 0.471 116.102 115.700 -0.114 0.000 2.458 400 S HA 0.017 4.487 4.470 -0.000 0.000 0.223 400 S C 0.835 175.384 174.600 -0.085 0.000 1.019 400 S CA 0.043 58.190 58.200 -0.088 0.000 0.937 400 S CB -0.087 63.071 63.200 -0.071 0.000 0.788 400 S HN 0.062 nan 8.310 nan 0.000 0.511 401 N N 2.101 120.741 118.700 -0.100 0.000 2.518 401 N HA 0.443 5.183 4.740 -0.000 0.000 0.254 401 N C -2.566 172.874 175.510 -0.115 0.000 0.979 401 N CA -2.396 50.607 53.050 -0.079 0.000 0.930 401 N CB 1.801 40.253 38.487 -0.057 0.000 1.152 401 N HN -0.117 nan 8.380 nan 0.000 0.505 402 P HA -0.131 nan 4.420 nan 0.000 0.217 402 P C 0.846 178.052 177.300 -0.157 0.000 1.148 402 P CA 1.245 64.280 63.100 -0.109 0.000 0.828 402 P CB 0.323 32.100 31.700 0.129 0.000 0.783 403 A N -0.886 121.954 122.820 0.034 0.000 1.902 403 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 403 A C 2.209 179.790 177.584 -0.005 0.000 1.181 403 A CA 1.449 53.550 52.037 0.108 0.000 0.623 403 A CB -1.486 17.597 19.000 0.138 0.000 0.818 403 A HN 0.139 nan 8.150 nan 0.000 0.443 404 I N -0.679 119.845 120.570 -0.077 0.000 2.333 404 I HA -0.173 3.997 4.170 -0.000 0.000 0.246 404 I C 2.925 178.909 176.117 -0.222 0.000 1.106 404 I CA 0.856 62.096 61.300 -0.101 0.000 1.411 404 I CB -0.261 37.681 38.000 -0.098 0.000 1.082 404 I HN 0.347 nan 8.210 nan 0.000 0.420 405 A N 0.167 122.748 122.820 -0.399 0.000 1.898 405 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 405 A C 1.745 178.895 177.584 -0.723 0.000 1.181 405 A CA 1.646 53.266 52.037 -0.695 0.000 0.620 405 A CB -0.571 17.758 19.000 -1.118 0.000 0.819 405 A HN 0.543 nan 8.150 nan 0.000 0.442 406 Y N -1.289 118.786 120.300 -0.374 0.000 2.499 406 Y HA 0.340 4.890 4.550 -0.001 0.000 0.253 406 Y C 1.594 177.424 175.900 -0.115 0.000 1.105 406 Y CA -0.571 57.294 58.100 -0.392 0.000 1.240 406 Y CB 0.049 37.935 38.460 -0.957 0.000 1.289 406 Y HN 0.300 nan 8.280 nan 0.000 0.534 407 G N 1.202 110.060 108.800 0.097 0.000 2.569 407 G HA2 0.299 4.259 3.960 -0.000 0.000 0.249 407 G HA3 0.299 4.259 3.960 -0.000 0.000 0.249 407 G C 0.255 175.290 174.900 0.226 0.000 1.216 407 G CA -0.172 45.094 45.100 0.277 0.000 0.845 407 G HN 0.230 nan 8.290 nan 0.000 0.568 408 S N -0.493 115.353 115.700 0.243 0.000 2.596 408 S HA 0.495 4.964 4.470 -0.000 0.000 0.260 408 S C 0.080 174.796 174.600 0.193 0.000 1.336 408 S CA -0.299 58.014 58.200 0.188 0.000 0.993 408 S CB 1.200 64.494 63.200 0.157 0.000 0.923 408 S HN 0.582 nan 8.310 nan 0.000 0.567 409 T N 1.185 115.850 114.554 0.185 0.000 2.812 409 T HA 0.397 4.747 4.350 -0.000 0.000 0.282 409 T C -0.902 173.958 174.700 0.267 0.000 0.990 409 T CA -0.393 61.838 62.100 0.219 0.000 0.960 409 T CB 0.545 69.497 68.868 0.140 0.000 0.948 409 T HN 0.809 nan 8.240 nan 0.000 0.438 410 H N 2.337 121.522 119.070 0.192 0.000 2.727 410 H HA 0.287 4.842 4.556 -0.001 0.000 0.330 410 H C -0.566 174.888 175.328 0.210 0.000 0.986 410 H CA -0.641 55.508 56.048 0.169 0.000 1.251 410 H CB 1.048 30.900 29.762 0.150 0.000 1.493 410 H HN 0.515 nan 8.280 nan 0.000 0.515 411 E N 4.822 125.176 120.200 0.258 0.000 2.324 411 E HA 0.016 4.366 4.350 -0.000 0.000 0.271 411 E C 0.033 176.618 176.600 -0.024 0.000 1.028 411 E CA -0.262 56.233 56.400 0.159 0.000 0.890 411 E CB 0.657 30.441 29.700 0.140 0.000 1.004 411 E HN 0.721 nan 8.360 nan 0.000 0.431 412 R N 3.356 123.850 120.500 -0.011 0.000 2.279 412 R HA 0.129 4.469 4.340 -0.000 0.000 0.195 412 R C -0.195 176.202 176.300 0.161 0.000 0.905 412 R CA 0.211 56.285 56.100 -0.044 0.000 1.044 412 R CB 0.302 30.590 30.300 -0.019 0.000 1.056 412 R HN 0.575 nan 8.270 nan 0.000 0.535 413 W N -0.241 121.062 121.300 0.005 0.000 3.363 413 W HA 0.578 5.238 4.660 -0.000 0.000 0.306 413 W C -1.700 174.813 176.519 -0.009 0.000 1.253 413 W CA -0.678 56.669 57.345 0.004 0.000 1.195 413 W CB 1.272 30.737 29.460 0.007 0.000 1.366 413 W HN -0.169 nan 8.180 nan 0.000 0.551 414 I N 4.980 125.369 120.570 -0.301 0.000 2.908 414 I HA 0.458 4.628 4.170 -0.000 0.000 0.300 414 I C -1.276 174.527 176.117 -0.524 0.000 1.385 414 I CA -0.446 60.690 61.300 -0.273 0.000 1.004 414 I CB 1.733 39.499 38.000 -0.390 0.000 1.309 414 I HN 0.698 nan 8.210 nan 0.000 0.449 415 N N 2.625 121.157 118.700 -0.281 0.000 3.364 415 N HA 0.338 5.077 4.740 -0.000 0.000 0.294 415 N C -0.605 174.843 175.510 -0.104 0.000 1.562 415 N CA -0.872 52.080 53.050 -0.165 0.000 0.862 415 N CB 0.506 38.969 38.487 -0.040 0.000 1.691 415 N HN 0.364 nan 8.380 nan 0.000 0.572 416 N N -0.137 118.590 118.700 0.044 0.000 2.258 416 N HA -0.112 4.628 4.740 -0.000 0.000 0.187 416 N C -0.223 175.271 175.510 -0.025 0.000 1.012 416 N CA 1.452 54.524 53.050 0.037 0.000 0.870 416 N CB -0.364 38.163 38.487 0.068 0.000 0.977 416 N HN 0.464 nan 8.380 nan 0.000 0.434 417 D N -1.046 119.359 120.400 0.008 0.000 2.500 417 D HA 0.176 4.816 4.640 -0.000 0.000 0.218 417 D C -0.408 175.925 176.300 0.054 0.000 1.140 417 D CA 0.123 54.133 54.000 0.017 0.000 0.830 417 D CB 1.416 42.245 40.800 0.048 0.000 1.055 417 D HN -0.125 nan 8.370 nan 0.000 0.512 418 V N 1.786 121.757 119.914 0.096 0.000 2.588 418 V HA 0.473 4.593 4.120 -0.000 0.000 0.304 418 V C -0.537 175.663 176.094 0.177 0.000 1.042 418 V CA -0.837 61.572 62.300 0.183 0.000 0.877 418 V CB 3.054 35.070 31.823 0.323 0.000 0.996 418 V HN -0.065 nan 8.190 nan 0.000 0.425 419 I N 5.065 125.754 120.570 0.198 0.000 2.647 419 I HA 0.617 4.786 4.170 -0.000 0.000 0.295 419 I C -1.378 174.920 176.117 0.302 0.000 1.078 419 I CA -0.765 60.671 61.300 0.227 0.000 1.048 419 I CB 1.983 40.096 38.000 0.189 0.000 1.239 419 I HN 0.550 nan 8.210 nan 0.000 0.421 420 I N 7.771 128.535 120.570 0.325 0.000 2.418 420 I HA 0.361 4.531 4.170 -0.000 0.000 0.287 420 I C -1.288 174.994 176.117 0.274 0.000 1.008 420 I CA -0.645 60.807 61.300 0.254 0.000 1.104 420 I CB 1.563 39.739 38.000 0.294 0.000 1.264 420 I HN 0.469 nan 8.210 nan 0.000 0.438 421 Y N 2.954 123.367 120.300 0.187 0.000 2.605 421 Y HA 0.767 5.317 4.550 -0.001 0.000 0.343 421 Y C -0.815 175.176 175.900 0.152 0.000 1.036 421 Y CA -1.261 56.934 58.100 0.159 0.000 1.065 421 Y CB 1.200 39.777 38.460 0.195 0.000 1.288 421 Y HN 0.489 nan 8.280 nan 0.000 0.481 422 E N 1.673 122.074 120.200 0.335 0.000 2.222 422 E HA 0.513 4.863 4.350 -0.000 0.000 0.267 422 E C -1.263 175.528 176.600 0.319 0.000 0.884 422 E CA -1.170 55.377 56.400 0.245 0.000 0.764 422 E CB 1.144 30.957 29.700 0.189 0.000 1.169 422 E HN 0.605 nan 8.360 nan 0.000 0.413 423 R N 3.311 123.963 120.500 0.253 0.000 2.387 423 R HA 0.440 4.779 4.340 -0.000 0.000 0.314 423 R C -0.842 175.583 176.300 0.207 0.000 0.958 423 R CA -0.649 55.591 56.100 0.233 0.000 0.846 423 R CB 1.518 31.931 30.300 0.188 0.000 1.147 423 R HN 0.491 nan 8.270 nan 0.000 0.447 424 K N 2.452 122.988 120.400 0.227 0.000 2.482 424 K HA 0.450 4.770 4.320 -0.000 0.000 0.251 424 K C -1.769 175.013 176.600 0.302 0.000 0.936 424 K CA -0.580 55.842 56.287 0.225 0.000 0.791 424 K CB 1.405 34.019 32.500 0.189 0.000 1.213 424 K HN 0.410 nan 8.250 nan 0.000 0.428 425 F N 4.333 124.336 119.950 0.088 0.000 2.941 425 F HA 0.381 4.908 4.527 -0.000 0.000 0.359 425 F C 0.341 176.172 175.800 0.052 0.000 1.231 425 F CA 0.686 58.733 58.000 0.078 0.000 1.089 425 F CB 1.160 40.224 39.000 0.105 0.000 1.407 425 F HN 0.861 nan 8.300 nan 0.000 0.538 426 G N 5.061 113.692 108.800 -0.282 0.000 2.574 426 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.301 426 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.301 426 G C 0.707 175.598 174.900 -0.015 0.000 1.166 426 G CA 0.520 45.498 45.100 -0.203 0.000 0.971 426 G HN 0.572 nan 8.290 nan 0.000 0.542 427 N N 2.387 121.112 118.700 0.041 0.000 2.205 427 N HA 0.097 4.836 4.740 -0.000 0.000 0.201 427 N C 0.085 175.704 175.510 0.181 0.000 1.128 427 N CA 0.038 53.161 53.050 0.122 0.000 0.867 427 N CB 0.077 38.651 38.487 0.144 0.000 0.996 427 N HN 0.508 nan 8.380 nan 0.000 0.503 428 N N 0.947 119.737 118.700 0.151 0.000 2.499 428 N HA 0.260 5.000 4.740 -0.000 0.000 0.281 428 N C -0.585 175.030 175.510 0.175 0.000 1.098 428 N CA 0.023 53.158 53.050 0.142 0.000 0.979 428 N CB 2.378 40.954 38.487 0.147 0.000 1.121 428 N HN -0.238 nan 8.380 nan 0.000 0.466 429 V N 0.516 120.527 119.914 0.161 0.000 2.841 429 V HA 0.768 4.888 4.120 -0.000 0.000 0.310 429 V C -0.532 175.619 176.094 0.095 0.000 1.090 429 V CA -0.869 61.514 62.300 0.138 0.000 0.930 429 V CB 1.820 33.716 31.823 0.121 0.000 1.014 429 V HN 0.806 nan 8.190 nan 0.000 0.425 430 A N 3.056 125.928 122.820 0.087 0.000 2.475 430 A HA 0.955 5.274 4.320 -0.000 0.000 0.301 430 A C -1.432 176.183 177.584 0.052 0.000 1.059 430 A CA -0.608 51.460 52.037 0.052 0.000 0.710 430 A CB 2.132 21.151 19.000 0.031 0.000 1.288 430 A HN 0.757 nan 8.150 nan 0.000 0.408 431 V N 1.652 121.590 119.914 0.039 0.000 2.638 431 V HA 0.606 4.725 4.120 -0.000 0.000 0.306 431 V C -0.748 175.282 176.094 -0.106 0.000 1.052 431 V CA -0.524 61.805 62.300 0.048 0.000 0.885 431 V CB 1.808 33.769 31.823 0.231 0.000 0.999 431 V HN 0.744 nan 8.190 nan 0.000 0.424 432 V N 3.226 122.920 119.914 -0.365 0.000 2.588 432 V HA 0.867 4.987 4.120 -0.000 0.000 0.304 432 V C 0.086 175.954 176.094 -0.378 0.000 1.042 432 V CA -0.531 61.442 62.300 -0.545 0.000 0.877 432 V CB 1.854 33.144 31.823 -0.887 0.000 0.996 432 V HN 1.020 nan 8.190 nan 0.000 0.425 433 A N 6.060 128.735 122.820 -0.242 0.000 2.331 433 A HA 0.947 5.267 4.320 -0.000 0.000 0.320 433 A C -0.888 176.708 177.584 0.020 0.000 1.138 433 A CA -0.509 51.538 52.037 0.017 0.000 0.790 433 A CB 0.881 20.018 19.000 0.228 0.000 1.206 433 A HN 0.769 nan 8.150 nan 0.000 0.470 434 I N 2.173 122.816 120.570 0.122 0.000 2.534 434 I HA 0.271 4.441 4.170 -0.000 0.000 0.288 434 I C -0.860 175.356 176.117 0.164 0.000 1.077 434 I CA -0.728 60.660 61.300 0.147 0.000 1.051 434 I CB 2.395 40.543 38.000 0.246 0.000 1.234 434 I HN 0.665 nan 8.210 nan 0.000 0.425 435 N N 5.473 124.255 118.700 0.138 0.000 2.511 435 N HA 0.266 5.006 4.740 -0.000 0.000 0.249 435 N C 0.705 176.300 175.510 0.142 0.000 0.971 435 N CA -0.718 52.407 53.050 0.125 0.000 0.938 435 N CB 1.052 39.595 38.487 0.093 0.000 1.131 435 N HN 0.620 nan 8.380 nan 0.000 0.505 436 R N 2.302 122.894 120.500 0.153 0.000 2.240 436 R HA 0.083 4.423 4.340 -0.000 0.000 0.203 436 R C 0.072 176.441 176.300 0.114 0.000 1.011 436 R CA 0.061 56.266 56.100 0.175 0.000 1.007 436 R CB -0.099 30.285 30.300 0.141 0.000 0.911 436 R HN 0.292 nan 8.270 nan 0.000 0.468 437 N N 1.436 120.187 118.700 0.085 0.000 2.431 437 N HA -0.014 4.726 4.740 -0.000 0.000 0.265 437 N C 0.373 175.924 175.510 0.069 0.000 1.184 437 N CA 0.063 53.153 53.050 0.067 0.000 0.943 437 N CB 0.912 39.433 38.487 0.057 0.000 1.080 437 N HN 0.183 nan 8.380 nan 0.000 0.477 438 M N 2.828 122.468 119.600 0.066 0.000 2.618 438 M HA 0.031 4.510 4.480 -0.000 0.000 0.240 438 M C 0.589 176.919 176.300 0.049 0.000 1.123 438 M CA 0.629 55.967 55.300 0.063 0.000 1.060 438 M CB -0.759 31.881 32.600 0.066 0.000 1.535 438 M HN 0.561 nan 8.290 nan 0.000 0.507 439 N N -0.225 118.502 118.700 0.044 0.000 2.606 439 N HA 0.009 4.749 4.740 -0.000 0.000 0.208 439 N C 0.530 176.061 175.510 0.035 0.000 1.046 439 N CA 0.308 53.380 53.050 0.036 0.000 0.891 439 N CB 0.521 39.027 38.487 0.031 0.000 1.344 439 N HN 0.225 nan 8.380 nan 0.000 0.437 440 T N 0.885 115.461 114.554 0.038 0.000 2.797 440 T HA 0.407 4.756 4.350 -0.000 0.000 0.279 440 T C -2.917 171.804 174.700 0.036 0.000 0.991 440 T CA -2.280 59.840 62.100 0.034 0.000 0.979 440 T CB 2.203 71.092 68.868 0.034 0.000 0.943 440 T HN -0.150 nan 8.240 nan 0.000 0.444 441 P HA 0.367 nan 4.420 nan 0.000 0.272 441 P C -0.869 176.435 177.300 0.006 0.000 1.230 441 P CA -0.432 62.681 63.100 0.021 0.000 0.788 441 P CB 0.530 32.242 31.700 0.019 0.000 0.949 442 A N 1.475 124.279 122.820 -0.026 0.000 2.303 442 A HA 0.416 4.736 4.320 -0.000 0.000 0.320 442 A C 0.278 177.743 177.584 -0.198 0.000 1.192 442 A CA -0.564 51.427 52.037 -0.077 0.000 0.821 442 A CB 0.385 19.328 19.000 -0.095 0.000 1.188 442 A HN 0.454 nan 8.150 nan 0.000 0.492 443 S N 3.378 118.982 115.700 -0.160 0.000 2.422 443 S HA 0.414 4.884 4.470 -0.000 0.000 0.283 443 S C -0.082 174.258 174.600 -0.434 0.000 1.163 443 S CA -0.508 57.559 58.200 -0.222 0.000 1.054 443 S CB -0.547 62.605 63.200 -0.081 0.000 0.967 443 S HN 0.445 nan 8.310 nan 0.000 0.499 444 I N 6.086 126.192 120.570 -0.774 0.000 2.304 444 I HA 0.309 4.478 4.170 -0.000 0.000 0.291 444 I C 0.758 176.506 176.117 -0.616 0.000 1.018 444 I CA -0.220 60.382 61.300 -1.164 0.000 1.260 444 I CB 0.373 37.305 38.000 -1.780 0.000 1.390 444 I HN 0.688 nan 8.210 nan 0.000 0.475 445 T N 0.562 114.963 114.554 -0.256 0.000 2.893 445 T HA 0.673 5.022 4.350 -0.000 0.000 0.291 445 T C 0.584 175.354 174.700 0.117 0.000 1.028 445 T CA -0.290 61.781 62.100 -0.047 0.000 0.995 445 T CB 2.005 70.892 68.868 0.032 0.000 1.051 445 T HN 1.031 nan 8.240 nan 0.000 0.470 446 G N 0.853 109.702 108.800 0.082 0.000 2.160 446 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.244 446 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.244 446 G C -0.215 174.791 174.900 0.176 0.000 1.022 446 G CA 0.032 45.212 45.100 0.132 0.000 0.741 446 G HN 1.140 nan 8.290 nan 0.000 0.508 447 L N 0.808 122.104 121.223 0.121 0.000 2.360 447 L HA 0.690 5.029 4.340 -0.000 0.000 0.276 447 L C 0.243 177.171 176.870 0.097 0.000 1.121 447 L CA -0.463 54.463 54.840 0.143 0.000 0.845 447 L CB 1.479 43.582 42.059 0.074 0.000 1.143 447 L HN 0.080 nan 8.230 nan 0.000 0.452 448 V N 4.408 124.378 119.914 0.093 0.000 2.715 448 V HA 0.782 4.902 4.120 -0.000 0.000 0.310 448 V C 0.238 176.358 176.094 0.042 0.000 1.054 448 V CA -0.006 62.329 62.300 0.059 0.000 0.928 448 V CB 2.017 33.879 31.823 0.065 0.000 1.007 448 V HN 0.995 nan 8.190 nan 0.000 0.437 449 T N -0.211 114.358 114.554 0.026 0.000 2.804 449 T HA 0.380 4.729 4.350 -0.000 0.000 0.290 449 T C 0.280 174.998 174.700 0.030 0.000 1.099 449 T CA -0.406 61.707 62.100 0.021 0.000 1.011 449 T CB 1.850 70.707 68.868 -0.020 0.000 1.291 449 T HN 0.324 nan 8.240 nan 0.000 0.523 450 S N 0.035 115.759 115.700 0.040 0.000 2.597 450 S HA 0.326 4.796 4.470 -0.000 0.000 0.224 450 S C 0.507 175.097 174.600 -0.017 0.000 0.955 450 S CA -0.501 57.723 58.200 0.040 0.000 0.933 450 S CB -0.681 62.571 63.200 0.086 0.000 0.788 450 S HN 0.458 nan 8.310 nan 0.000 0.488 451 L N 3.805 124.977 121.223 -0.085 0.000 2.416 451 L HA 0.243 4.583 4.340 -0.000 0.000 0.272 451 L C -1.872 174.917 176.870 -0.134 0.000 1.161 451 L CA -1.872 52.849 54.840 -0.198 0.000 0.845 451 L CB 0.174 41.972 42.059 -0.434 0.000 1.119 451 L HN 0.022 nan 8.230 nan 0.000 0.464 452 P HA -0.013 nan 4.420 nan 0.000 0.271 452 P C -0.780 176.519 177.300 -0.001 0.000 1.233 452 P CA -0.479 62.521 63.100 -0.166 0.000 0.789 452 P CB 0.307 31.774 31.700 -0.388 0.000 0.951 453 R N 1.004 121.490 120.500 -0.024 0.000 2.623 453 R HA 0.489 4.829 4.340 -0.000 0.000 0.271 453 R C 0.112 176.372 176.300 -0.067 0.000 1.043 453 R CA 0.470 56.564 56.100 -0.010 0.000 1.083 453 R CB -0.987 29.292 30.300 -0.035 0.000 0.974 453 R HN 0.753 nan 8.270 nan 0.000 0.436 454 G N 0.325 109.047 108.800 -0.130 0.000 2.324 454 G HA2 0.170 4.130 3.960 -0.000 0.000 0.293 454 G HA3 0.170 4.130 3.960 -0.000 0.000 0.293 454 G C -1.750 172.890 174.900 -0.433 0.000 1.297 454 G CA -0.710 44.174 45.100 -0.359 0.000 0.853 454 G HN 0.476 nan 8.290 nan 0.000 0.535 455 S N 0.411 115.813 115.700 -0.496 0.000 2.516 455 S HA 0.491 4.961 4.470 -0.000 0.000 0.268 455 S C -1.062 173.298 174.600 -0.399 0.000 1.251 455 S CA -0.307 57.688 58.200 -0.342 0.000 1.153 455 S CB 0.144 63.223 63.200 -0.201 0.000 1.009 455 S HN 0.399 nan 8.310 nan 0.000 0.479 456 Y N 2.392 122.628 120.300 -0.107 0.000 2.393 456 Y HA 0.208 4.757 4.550 -0.001 0.000 0.338 456 Y C 0.857 176.816 175.900 0.099 0.000 1.029 456 Y CA -0.599 57.502 58.100 0.002 0.000 1.239 456 Y CB 0.171 38.624 38.460 -0.012 0.000 1.170 456 Y HN 0.486 nan 8.280 nan 0.000 0.515 457 N N 2.060 120.905 118.700 0.242 0.000 2.499 457 N HA 0.060 4.800 4.740 -0.000 0.000 0.281 457 N C -0.985 174.710 175.510 0.308 0.000 1.098 457 N CA -0.708 52.473 53.050 0.219 0.000 0.979 457 N CB 0.472 39.023 38.487 0.106 0.000 1.121 457 N HN 0.534 nan 8.380 nan 0.000 0.466 458 D N 1.722 122.274 120.400 0.253 0.000 2.502 458 D HA -0.067 4.572 4.640 -0.000 0.000 0.249 458 D C 0.917 177.194 176.300 -0.038 0.000 1.188 458 D CA 0.029 54.029 54.000 -0.001 0.000 0.890 458 D CB 0.656 41.435 40.800 -0.034 0.000 1.140 458 D HN 0.230 nan 8.370 nan 0.000 0.505 459 V N 4.663 124.523 119.914 -0.090 0.000 2.469 459 V HA -0.237 3.883 4.120 -0.000 0.000 0.251 459 V C 2.273 178.325 176.094 -0.070 0.000 1.064 459 V CA 1.294 63.559 62.300 -0.059 0.000 1.066 459 V CB -0.548 31.230 31.823 -0.075 0.000 0.667 459 V HN 0.647 nan 8.190 nan 0.000 0.461 460 L N 0.629 121.787 121.223 -0.108 0.000 2.622 460 L HA 0.160 4.500 4.340 -0.000 0.000 0.233 460 L C 1.781 178.626 176.870 -0.042 0.000 1.156 460 L CA 0.787 55.580 54.840 -0.078 0.000 0.866 460 L CB -0.886 41.112 42.059 -0.102 0.000 0.980 460 L HN 0.563 nan 8.230 nan 0.000 0.448 461 G N 0.110 108.894 108.800 -0.028 0.000 2.225 461 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.267 461 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.267 461 G C 0.995 175.895 174.900 0.001 0.000 1.024 461 G CA 0.390 45.487 45.100 -0.004 0.000 0.784 461 G HN 0.682 nan 8.290 nan 0.000 0.507 462 G N -0.775 108.021 108.800 -0.007 0.000 2.168 462 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.263 462 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.263 462 G C 1.285 176.187 174.900 0.002 0.000 0.977 462 G CA 1.173 46.274 45.100 0.002 0.000 0.659 462 G HN 2.005 nan 8.290 nan 0.000 0.533 463 I N -3.005 117.563 120.570 -0.003 0.000 2.830 463 I HA 0.302 4.471 4.170 -0.000 0.000 0.263 463 I C 1.438 177.560 176.117 0.008 0.000 1.230 463 I CA 0.776 62.081 61.300 0.007 0.000 1.480 463 I CB -0.080 37.928 38.000 0.013 0.000 1.095 463 I HN 0.077 nan 8.210 nan 0.000 0.455 464 L N 2.311 123.529 121.223 -0.008 0.000 3.094 464 L HA 0.339 4.679 4.340 -0.000 0.000 0.254 464 L C 0.195 177.068 176.870 0.005 0.000 1.298 464 L CA -0.241 54.599 54.840 -0.001 0.000 1.050 464 L CB -1.052 40.995 42.059 -0.020 0.000 1.420 464 L HN 0.264 nan 8.230 nan 0.000 0.548 465 N N -0.399 118.309 118.700 0.013 0.000 2.735 465 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 465 N C 0.695 176.226 175.510 0.035 0.000 1.083 465 N CA 0.983 54.049 53.050 0.028 0.000 0.703 465 N CB -1.023 37.487 38.487 0.039 0.000 1.005 465 N HN 0.520 nan 8.380 nan 0.000 0.550 466 G N 0.254 109.059 108.800 0.007 0.000 2.588 466 G HA2 0.505 4.465 3.960 -0.000 0.000 0.281 466 G HA3 0.505 4.465 3.960 -0.000 0.000 0.281 466 G C 0.379 175.319 174.900 0.067 0.000 1.236 466 G CA -0.260 44.842 45.100 0.003 0.000 0.969 466 G HN 0.463 nan 8.290 nan 0.000 0.504 467 N N -1.856 116.934 118.700 0.149 0.000 2.902 467 N HA 0.305 5.045 4.740 -0.000 0.000 0.268 467 N C -1.102 174.555 175.510 0.246 0.000 1.450 467 N CA -0.613 52.519 53.050 0.135 0.000 0.819 467 N CB 1.263 39.795 38.487 0.076 0.000 1.540 467 N HN 0.337 nan 8.380 nan 0.000 0.545 468 T N 0.841 115.445 114.554 0.083 0.000 2.910 468 T HA 0.338 4.688 4.350 -0.000 0.000 0.293 468 T C -0.257 174.264 174.700 -0.298 0.000 1.015 468 T CA -0.278 61.837 62.100 0.025 0.000 1.094 468 T CB 0.490 69.343 68.868 -0.024 0.000 0.968 468 T HN 0.347 nan 8.240 nan 0.000 0.521 469 L N 3.072 123.953 121.223 -0.570 0.000 2.298 469 L HA 0.436 4.776 4.340 -0.000 0.000 0.284 469 L C -0.130 176.494 176.870 -0.410 0.000 1.013 469 L CA -0.050 54.251 54.840 -0.897 0.000 0.824 469 L CB 1.372 42.402 42.059 -1.715 0.000 1.221 469 L HN 0.590 nan 8.230 nan 0.000 0.418 470 T N 4.616 118.988 114.554 -0.302 0.000 2.744 470 T HA 0.557 4.907 4.350 -0.000 0.000 0.291 470 T C -0.431 174.199 174.700 -0.116 0.000 0.957 470 T CA -0.284 61.717 62.100 -0.165 0.000 1.002 470 T CB 0.950 69.745 68.868 -0.123 0.000 0.919 470 T HN 0.313 nan 8.240 nan 0.000 0.468 471 V N 3.195 123.078 119.914 -0.051 0.000 2.459 471 V HA 0.773 4.893 4.120 -0.000 0.000 0.295 471 V C 0.800 176.885 176.094 -0.014 0.000 1.029 471 V CA -0.539 61.755 62.300 -0.010 0.000 0.874 471 V CB 1.806 33.685 31.823 0.094 0.000 0.985 471 V HN 0.990 nan 8.190 nan 0.000 0.438 472 G N 2.206 110.997 108.800 -0.016 0.000 2.890 472 G HA2 0.702 4.661 3.960 -0.000 0.000 0.189 472 G HA3 0.702 4.661 3.960 -0.000 0.000 0.189 472 G C -0.088 174.805 174.900 -0.011 0.000 1.342 472 G CA -0.181 44.909 45.100 -0.017 0.000 1.026 472 G HN 1.025 nan 8.290 nan 0.000 0.579 473 A N -1.568 121.246 122.820 -0.010 0.000 2.425 473 A HA 0.522 4.842 4.320 -0.000 0.000 0.249 473 A C 1.413 178.997 177.584 -0.000 0.000 1.084 473 A CA 1.032 53.065 52.037 -0.007 0.000 0.781 473 A CB -0.341 18.656 19.000 -0.005 0.000 1.019 473 A HN 2.495 nan 8.150 nan 0.000 0.490 474 G N 0.643 109.443 108.800 0.000 0.000 2.179 474 G HA2 0.146 4.106 3.960 -0.000 0.000 0.257 474 G HA3 0.146 4.106 3.960 -0.000 0.000 0.257 474 G C 1.597 176.503 174.900 0.011 0.000 1.010 474 G CA 1.053 46.157 45.100 0.008 0.000 0.736 474 G HN 2.793 nan 8.290 nan 0.000 0.513 475 G N -1.610 107.191 108.800 0.001 0.000 2.175 475 G HA2 0.127 4.086 3.960 -0.000 0.000 0.265 475 G HA3 0.127 4.086 3.960 -0.000 0.000 0.265 475 G C 0.819 175.721 174.900 0.003 0.000 0.979 475 G CA 1.273 46.372 45.100 -0.002 0.000 0.663 475 G HN 2.359 nan 8.290 nan 0.000 0.533 476 A N -0.041 122.784 122.820 0.008 0.000 2.454 476 A HA 0.780 5.099 4.320 -0.000 0.000 0.260 476 A C 0.805 178.389 177.584 -0.000 0.000 1.106 476 A CA 0.952 52.997 52.037 0.013 0.000 0.780 476 A CB 0.528 19.539 19.000 0.017 0.000 1.044 476 A HN 2.031 nan 8.150 nan 0.000 0.498 477 A N 2.712 125.533 122.820 0.002 0.000 2.310 477 A HA 0.593 4.913 4.320 -0.000 0.000 0.299 477 A C 0.742 178.336 177.584 0.016 0.000 1.147 477 A CA -0.041 51.985 52.037 -0.019 0.000 0.818 477 A CB 0.364 19.345 19.000 -0.032 0.000 1.096 477 A HN 1.330 nan 8.150 nan 0.000 0.495 478 S N 2.220 117.919 115.700 -0.001 0.000 2.552 478 S HA 0.051 4.521 4.470 -0.000 0.000 0.289 478 S C 0.445 175.104 174.600 0.100 0.000 1.304 478 S CA -0.605 57.609 58.200 0.023 0.000 1.063 478 S CB -0.386 62.809 63.200 -0.009 0.000 0.848 478 S HN 0.707 nan 8.310 nan 0.000 0.499 479 N N 3.130 121.870 118.700 0.067 0.000 2.395 479 N HA 0.340 5.080 4.740 -0.000 0.000 0.246 479 N C -0.358 175.235 175.510 0.139 0.000 1.246 479 N CA 0.482 53.553 53.050 0.037 0.000 0.879 479 N CB -0.119 38.350 38.487 -0.030 0.000 1.098 479 N HN 0.631 nan 8.380 nan 0.000 0.444 480 F N -3.064 116.817 119.950 -0.115 0.000 2.711 480 F HA 0.536 5.063 4.527 0.000 0.000 0.313 480 F C -0.672 175.070 175.800 -0.096 0.000 1.141 480 F CA -1.151 56.795 58.000 -0.091 0.000 0.941 480 F CB 0.979 39.927 39.000 -0.087 0.000 1.349 480 F HN 0.050 nan 8.300 nan 0.000 0.464 481 T N 3.039 117.643 114.554 0.082 0.000 2.767 481 T HA 0.473 4.823 4.350 -0.000 0.000 0.284 481 T C -1.025 173.752 174.700 0.128 0.000 0.973 481 T CA -0.341 61.749 62.100 -0.017 0.000 0.996 481 T CB 1.242 70.121 68.868 0.019 0.000 0.927 481 T HN 0.631 nan 8.240 nan 0.000 0.456 482 L N 4.491 125.727 121.223 0.022 0.000 2.283 482 L HA 0.612 4.951 4.340 -0.000 0.000 0.287 482 L C 0.631 177.552 176.870 0.086 0.000 1.073 482 L CA -0.482 54.446 54.840 0.146 0.000 0.822 482 L CB -0.420 41.684 42.059 0.076 0.000 1.186 482 L HN 0.812 nan 8.230 nan 0.000 0.436 483 A N 7.064 129.946 122.820 0.103 0.000 2.583 483 A HA 0.242 4.562 4.320 -0.000 0.000 0.231 483 A C -2.171 175.450 177.584 0.062 0.000 1.065 483 A CA -0.606 51.474 52.037 0.071 0.000 0.760 483 A CB -0.979 18.062 19.000 0.069 0.000 1.001 483 A HN 0.707 nan 8.150 nan 0.000 0.509 484 P HA 0.209 nan 4.420 nan 0.000 0.260 484 P C 0.991 178.327 177.300 0.061 0.000 1.185 484 P CA 1.941 65.074 63.100 0.054 0.000 0.763 484 P CB 0.350 32.078 31.700 0.046 0.000 0.776 485 G N 2.458 111.302 108.800 0.073 0.000 2.184 485 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.264 485 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.264 485 G C 0.644 175.585 174.900 0.068 0.000 0.975 485 G CA -0.199 44.948 45.100 0.078 0.000 0.642 485 G HN 0.877 nan 8.290 nan 0.000 0.536 486 G N -0.310 108.530 108.800 0.068 0.000 2.380 486 G HA2 0.524 4.484 3.960 -0.000 0.000 0.242 486 G HA3 0.524 4.484 3.960 -0.000 0.000 0.242 486 G C -0.054 174.871 174.900 0.041 0.000 1.298 486 G CA 1.071 46.206 45.100 0.059 0.000 0.878 486 G HN 0.775 nan 8.290 nan 0.000 0.542 487 T N 0.511 115.059 114.554 -0.010 0.000 2.991 487 T HA 0.670 5.020 4.350 -0.000 0.000 0.303 487 T C -0.245 174.347 174.700 -0.178 0.000 1.015 487 T CA 0.012 62.069 62.100 -0.071 0.000 1.007 487 T CB 1.767 70.600 68.868 -0.058 0.000 1.034 487 T HN 1.103 nan 8.240 nan 0.000 0.446 488 A N 2.338 124.942 122.820 -0.361 0.000 2.539 488 A HA 0.909 5.229 4.320 -0.000 0.000 0.296 488 A C -1.361 175.640 177.584 -0.972 0.000 1.073 488 A CA -0.729 50.898 52.037 -0.682 0.000 0.700 488 A CB 1.677 20.119 19.000 -0.930 0.000 1.296 488 A HN 0.658 nan 8.150 nan 0.000 0.405 489 V N 1.908 121.239 119.914 -0.973 0.000 2.525 489 V HA 0.565 4.684 4.120 -0.000 0.000 0.299 489 V C -1.193 174.488 176.094 -0.689 0.000 1.034 489 V CA -0.464 61.420 62.300 -0.693 0.000 0.863 489 V CB 1.409 33.027 31.823 -0.342 0.000 0.999 489 V HN 0.817 nan 8.190 nan 0.000 0.423 490 W N 3.973 125.226 121.300 -0.079 0.000 2.819 490 W HA 0.738 5.397 4.660 -0.000 0.000 0.337 490 W C -0.301 176.157 176.519 -0.101 0.000 1.077 490 W CA -0.615 56.692 57.345 -0.063 0.000 1.226 490 W CB 2.201 31.598 29.460 -0.104 0.000 1.419 490 W HN 0.714 nan 8.180 nan 0.000 0.502 491 Q N 1.379 121.274 119.800 0.158 0.000 2.511 491 Q HA 0.684 5.024 4.340 -0.000 0.000 0.289 491 Q C -2.249 173.849 176.000 0.162 0.000 1.021 491 Q CA -1.056 54.799 55.803 0.086 0.000 0.785 491 Q CB 3.515 32.293 28.738 0.067 0.000 1.472 491 Q HN 0.373 nan 8.270 nan 0.000 0.411 492 Y N 0.607 120.906 120.300 -0.002 0.000 2.441 492 Y HA 0.581 5.131 4.550 -0.000 0.000 0.334 492 Y C -1.703 174.235 175.900 0.063 0.000 1.061 492 Y CA -0.167 57.978 58.100 0.075 0.000 1.032 492 Y CB 2.450 40.938 38.460 0.047 0.000 1.266 492 Y HN 0.914 nan 8.280 nan 0.000 0.441 493 T N 1.942 116.122 114.554 -0.623 0.000 2.863 493 T HA 0.912 5.261 4.350 -0.000 0.000 0.285 493 T C -0.627 173.659 174.700 -0.689 0.000 1.009 493 T CA -0.413 61.397 62.100 -0.484 0.000 0.989 493 T CB 1.955 70.693 68.868 -0.216 0.000 1.004 493 T HN 0.740 nan 8.240 nan 0.000 0.455 494 T N -0.410 113.921 114.554 -0.371 0.000 2.754 494 T HA 0.512 4.861 4.350 -0.000 0.000 0.296 494 T C -1.455 173.201 174.700 -0.073 0.000 1.205 494 T CA -1.099 60.884 62.100 -0.195 0.000 1.009 494 T CB 1.102 69.942 68.868 -0.047 0.000 1.368 494 T HN 0.627 nan 8.240 nan 0.000 0.509 495 D N 0.899 121.280 120.400 -0.032 0.000 2.302 495 D HA 0.505 5.144 4.640 -0.000 0.000 0.248 495 D C -0.051 176.243 176.300 -0.010 0.000 1.094 495 D CA -0.186 53.803 54.000 -0.018 0.000 0.897 495 D CB 1.405 42.199 40.800 -0.010 0.000 1.200 495 D HN 0.816 nan 8.370 nan 0.000 0.429 496 A N 1.567 124.371 122.820 -0.027 0.000 2.363 496 A HA 0.268 4.588 4.320 -0.000 0.000 0.270 496 A C 1.070 178.633 177.584 -0.036 0.000 1.121 496 A CA -0.303 51.704 52.037 -0.051 0.000 0.800 496 A CB 1.090 20.022 19.000 -0.113 0.000 1.052 496 A HN 0.534 nan 8.150 nan 0.000 0.493 497 T N 0.452 114.994 114.554 -0.021 0.000 3.037 497 T HA 0.142 4.491 4.350 -0.000 0.000 0.251 497 T C 0.820 175.528 174.700 0.014 0.000 1.079 497 T CA 1.347 63.449 62.100 0.003 0.000 1.067 497 T CB -0.212 68.663 68.868 0.011 0.000 0.948 497 T HN 0.843 nan 8.240 nan 0.000 0.496 498 T N 2.338 116.887 114.554 -0.008 0.000 2.855 498 T HA 0.556 4.906 4.350 -0.000 0.000 0.281 498 T C -3.022 171.679 174.700 0.001 0.000 1.007 498 T CA -2.245 59.860 62.100 0.009 0.000 1.009 498 T CB 1.411 70.272 68.868 -0.012 0.000 0.983 498 T HN -0.101 nan 8.240 nan 0.000 0.455 499 P HA 0.218 nan 4.420 nan 0.000 0.260 499 P C -0.970 176.358 177.300 0.047 0.000 1.172 499 P CA 0.434 63.640 63.100 0.177 0.000 0.760 499 P CB 0.029 31.907 31.700 0.297 0.000 0.773 500 I N 4.270 124.802 120.570 -0.063 0.000 2.534 500 I HA 0.359 4.528 4.170 -0.000 0.000 0.288 500 I C -0.071 176.074 176.117 0.046 0.000 1.077 500 I CA -0.637 60.576 61.300 -0.146 0.000 1.051 500 I CB 1.925 39.553 38.000 -0.620 0.000 1.234 500 I HN 0.116 nan 8.210 nan 0.000 0.425 501 I N 4.772 125.438 120.570 0.160 0.000 2.315 501 I HA 0.322 4.491 4.170 -0.000 0.000 0.291 501 I C 1.133 177.361 176.117 0.185 0.000 1.006 501 I CA 0.096 61.498 61.300 0.168 0.000 1.265 501 I CB 1.569 39.625 38.000 0.093 0.000 1.387 501 I HN 0.853 nan 8.210 nan 0.000 0.475 502 G N 5.053 113.792 108.800 -0.101 0.000 2.709 502 G HA2 0.098 4.057 3.960 -0.000 0.000 0.208 502 G HA3 0.098 4.057 3.960 -0.000 0.000 0.208 502 G C 0.272 175.078 174.900 -0.156 0.000 1.129 502 G CA 0.097 45.048 45.100 -0.249 0.000 0.793 502 G HN 0.659 nan 8.290 nan 0.000 0.524 503 N N -1.691 116.765 118.700 -0.407 0.000 2.935 503 N HA 0.413 5.153 4.740 -0.000 0.000 0.248 503 N C -2.190 173.000 175.510 -0.533 0.000 1.276 503 N CA -0.553 52.284 53.050 -0.355 0.000 0.906 503 N CB 2.239 40.736 38.487 0.016 0.000 1.564 503 N HN -0.142 nan 8.380 nan 0.000 0.500 504 V N 0.569 120.186 119.914 -0.495 0.000 2.841 504 V HA 0.895 5.015 4.120 -0.000 0.000 0.310 504 V C -0.200 175.895 176.094 0.002 0.000 1.090 504 V CA -0.457 61.670 62.300 -0.288 0.000 0.930 504 V CB 1.729 33.347 31.823 -0.341 0.000 1.014 504 V HN 0.824 nan 8.190 nan 0.000 0.425 505 G N 4.213 113.049 108.800 0.060 0.000 2.760 505 G HA2 0.706 4.666 3.960 -0.000 0.000 0.296 505 G HA3 0.706 4.666 3.960 -0.000 0.000 0.296 505 G C -3.361 171.620 174.900 0.134 0.000 1.427 505 G CA -1.101 44.081 45.100 0.137 0.000 1.109 505 G HN 0.486 nan 8.290 nan 0.000 0.553 506 P HA 0.244 nan 4.420 nan 0.000 0.276 506 P C 0.286 177.737 177.300 0.251 0.000 1.261 506 P CA -0.465 62.730 63.100 0.157 0.000 0.800 506 P CB 1.438 33.189 31.700 0.084 0.000 1.066 507 M N -0.001 119.668 119.600 0.115 0.000 2.431 507 M HA 0.279 4.758 4.480 -0.000 0.000 0.237 507 M C 0.534 176.529 176.300 -0.508 0.000 1.130 507 M CA 0.366 55.670 55.300 0.007 0.000 1.002 507 M CB -0.639 32.013 32.600 0.086 0.000 1.524 507 M HN 0.447 nan 8.290 nan 0.000 0.482 508 M N 0.836 120.199 119.600 -0.397 0.000 2.234 508 M HA 0.588 5.068 4.480 -0.000 0.000 0.267 508 M C -2.138 174.028 176.300 -0.223 0.000 1.022 508 M CA -0.172 54.880 55.300 -0.413 0.000 0.993 508 M CB 2.002 34.450 32.600 -0.253 0.000 1.836 508 M HN 0.043 nan 8.290 nan 0.000 0.479 509 A N 3.903 126.628 122.820 -0.159 0.000 2.586 509 A HA 0.643 4.963 4.320 -0.000 0.000 0.291 509 A C -1.771 175.814 177.584 0.001 0.000 1.062 509 A CA -0.960 51.061 52.037 -0.027 0.000 0.666 509 A CB 1.646 20.688 19.000 0.070 0.000 1.281 509 A HN 0.863 nan 8.150 nan 0.000 0.421 510 K N 0.092 120.489 120.400 -0.004 0.000 2.098 510 K HA 0.638 4.958 4.320 -0.000 0.000 0.244 510 K C -2.681 173.907 176.600 -0.020 0.000 1.014 510 K CA -1.613 54.667 56.287 -0.011 0.000 0.917 510 K CB 0.094 32.584 32.500 -0.017 0.000 1.072 510 K HN 0.251 nan 8.250 nan 0.000 0.477 511 P HA -0.088 nan 4.420 nan 0.000 0.263 511 P C 0.483 177.738 177.300 -0.075 0.000 1.175 511 P CA 1.604 64.644 63.100 -0.100 0.000 0.761 511 P CB 0.435 32.075 31.700 -0.101 0.000 0.794 512 G N 0.986 109.730 108.800 -0.094 0.000 2.254 512 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.225 512 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.225 512 G C 0.097 174.969 174.900 -0.046 0.000 1.003 512 G CA -0.186 44.875 45.100 -0.065 0.000 0.622 512 G HN 0.543 nan 8.290 nan 0.000 0.507 513 V N 2.607 122.504 119.914 -0.030 0.000 2.637 513 V HA 0.447 4.566 4.120 -0.000 0.000 0.296 513 V C 1.011 177.104 176.094 -0.001 0.000 1.046 513 V CA 0.635 62.932 62.300 -0.006 0.000 1.066 513 V CB 1.382 33.218 31.823 0.022 0.000 0.968 513 V HN 0.338 nan 8.190 nan 0.000 0.483 514 T N 6.966 121.517 114.554 -0.006 0.000 2.794 514 T HA 0.481 4.831 4.350 -0.000 0.000 0.296 514 T C 0.009 174.721 174.700 0.020 0.000 0.949 514 T CA 0.074 62.172 62.100 -0.003 0.000 1.101 514 T CB 0.051 68.907 68.868 -0.019 0.000 0.905 514 T HN 0.585 nan 8.240 nan 0.000 0.516 515 I N 0.065 120.651 120.570 0.028 0.000 2.822 515 I HA 0.731 4.900 4.170 -0.000 0.000 0.312 515 I C -0.201 175.898 176.117 -0.030 0.000 1.011 515 I CA -0.838 60.484 61.300 0.038 0.000 1.105 515 I CB 1.934 39.979 38.000 0.074 0.000 1.291 515 I HN 0.273 nan 8.210 nan 0.000 0.474 516 T N 4.652 119.185 114.554 -0.035 0.000 2.786 516 T HA 0.595 4.945 4.350 -0.000 0.000 0.283 516 T C -0.304 174.319 174.700 -0.129 0.000 0.992 516 T CA -0.185 61.869 62.100 -0.076 0.000 0.954 516 T CB 0.751 69.598 68.868 -0.036 0.000 0.934 516 T HN 0.362 nan 8.240 nan 0.000 0.440 517 I N 3.658 124.107 120.570 -0.202 0.000 2.355 517 I HA 0.373 4.543 4.170 -0.000 0.000 0.288 517 I C -0.426 175.611 176.117 -0.134 0.000 0.999 517 I CA -0.796 60.344 61.300 -0.266 0.000 1.163 517 I CB 1.342 39.084 38.000 -0.431 0.000 1.316 517 I HN 0.439 nan 8.210 nan 0.000 0.454 518 D N 4.694 125.021 120.400 -0.121 0.000 2.252 518 D HA 0.784 5.424 4.640 -0.000 0.000 0.245 518 D C 0.289 176.415 176.300 -0.290 0.000 1.009 518 D CA -0.048 53.888 54.000 -0.106 0.000 0.870 518 D CB 2.471 43.192 40.800 -0.133 0.000 1.251 518 D HN 0.776 nan 8.370 nan 0.000 0.460 519 G N 0.571 109.112 108.800 -0.431 0.000 2.498 519 G HA2 0.295 4.254 3.960 -0.000 0.000 0.181 519 G HA3 0.295 4.254 3.960 -0.000 0.000 0.181 519 G C -1.310 173.228 174.900 -0.604 0.000 1.169 519 G CA -0.586 44.175 45.100 -0.565 0.000 0.992 519 G HN 0.308 nan 8.290 nan 0.000 0.490 520 R N -0.925 119.168 120.500 -0.678 0.000 2.680 520 R HA 0.612 4.951 4.340 -0.000 0.000 0.269 520 R C 0.451 176.396 176.300 -0.592 0.000 1.026 520 R CA 0.059 55.854 56.100 -0.509 0.000 0.889 520 R CB 1.216 31.491 30.300 -0.042 0.000 1.241 520 R HN 2.268 nan 8.270 nan 0.000 0.463 521 G N 0.849 109.436 108.800 -0.355 0.000 2.136 521 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.242 521 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.242 521 G C 0.672 175.601 174.900 0.050 0.000 0.989 521 G CA 0.496 45.520 45.100 -0.128 0.000 0.682 521 G HN 0.563 nan 8.290 nan 0.000 0.522 522 F N 0.884 120.846 119.950 0.019 0.000 2.259 522 F HA 0.292 4.818 4.527 -0.000 0.000 0.298 522 F C 2.068 178.084 175.800 0.360 0.000 1.088 522 F CA 0.944 58.994 58.000 0.083 0.000 1.358 522 F CB 0.057 38.879 39.000 -0.297 0.000 1.040 522 F HN 0.894 nan 8.300 nan 0.000 0.505 523 G N 0.335 109.381 108.800 0.410 0.000 2.712 523 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.683 523 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.683 523 G C 0.524 175.677 174.900 0.423 0.000 1.320 523 G CA -0.247 45.054 45.100 0.334 0.000 0.847 523 G HN 0.280 nan 8.290 nan 0.000 0.553 524 S N -0.741 115.105 115.700 0.242 0.000 2.458 524 S HA 0.412 4.881 4.470 -0.000 0.000 0.223 524 S C 1.479 176.163 174.600 0.140 0.000 1.019 524 S CA 1.258 59.587 58.200 0.215 0.000 0.937 524 S CB 0.274 63.539 63.200 0.109 0.000 0.788 524 S HN 2.117 nan 8.310 nan 0.000 0.511 525 G N 1.482 110.283 108.800 0.002 0.000 2.353 525 G HA2 0.397 4.357 3.960 -0.000 0.000 0.284 525 G HA3 0.397 4.357 3.960 -0.000 0.000 0.284 525 G C -0.677 173.809 174.900 -0.690 0.000 1.172 525 G CA -0.773 44.201 45.100 -0.210 0.000 0.854 525 G HN 0.388 nan 8.290 nan 0.000 0.485 526 K N 1.799 121.723 120.400 -0.794 0.000 2.447 526 K HA 0.319 4.639 4.320 -0.000 0.000 0.281 526 K C 0.921 176.759 176.600 -1.271 0.000 1.031 526 K CA 0.369 55.871 56.287 -1.308 0.000 1.019 526 K CB 0.324 32.507 32.500 -0.528 0.000 0.918 526 K HN 0.523 nan 8.250 nan 0.000 0.476 527 G N 2.156 109.722 108.800 -2.056 0.000 3.341 527 G HA2 0.326 4.286 3.960 -0.000 0.000 0.177 527 G HA3 0.326 4.286 3.960 -0.000 0.000 0.177 527 G C -0.977 173.608 174.900 -0.526 0.000 1.236 527 G CA -0.318 44.205 45.100 -0.961 0.000 0.888 527 G HN 0.554 nan 8.290 nan 0.000 0.644 528 T N -0.313 114.181 114.554 -0.099 0.000 2.886 528 T HA 0.535 4.884 4.350 -0.000 0.000 0.292 528 T C -1.153 173.533 174.700 -0.024 0.000 1.012 528 T CA -0.310 61.724 62.100 -0.110 0.000 0.982 528 T CB 1.836 70.540 68.868 -0.274 0.000 1.018 528 T HN 0.833 nan 8.240 nan 0.000 0.451 529 V N 3.483 123.324 119.914 -0.121 0.000 2.555 529 V HA 0.710 4.829 4.120 -0.000 0.000 0.302 529 V C -1.848 174.080 176.094 -0.278 0.000 1.038 529 V CA -0.739 61.469 62.300 -0.153 0.000 0.887 529 V CB 1.121 32.843 31.823 -0.169 0.000 0.991 529 V HN 0.849 nan 8.190 nan 0.000 0.434 530 Y N 5.572 125.822 120.300 -0.083 0.000 2.328 530 Y HA 0.632 5.182 4.550 -0.000 0.000 0.337 530 Y C -0.397 175.437 175.900 -0.110 0.000 1.008 530 Y CA -0.449 57.644 58.100 -0.011 0.000 1.129 530 Y CB 1.696 40.157 38.460 0.003 0.000 1.185 530 Y HN 0.631 nan 8.280 nan 0.000 0.476 531 F N 2.448 122.466 119.950 0.113 0.000 2.375 531 F HA 0.528 5.055 4.527 -0.000 0.000 0.361 531 F C 0.969 176.937 175.800 0.280 0.000 1.117 531 F CA -0.299 57.750 58.000 0.080 0.000 1.037 531 F CB 0.983 39.874 39.000 -0.183 0.000 1.192 531 F HN 0.799 nan 8.300 nan 0.000 0.452 532 G N 2.627 111.714 108.800 0.478 0.000 2.596 532 G HA2 -0.384 3.575 3.960 -0.000 0.000 0.304 532 G HA3 -0.384 3.575 3.960 -0.000 0.000 0.304 532 G C 1.048 176.116 174.900 0.279 0.000 1.189 532 G CA 0.591 45.913 45.100 0.371 0.000 0.986 532 G HN 0.756 nan 8.290 nan 0.000 0.548 533 T N -1.649 113.066 114.554 0.268 0.000 3.060 533 T HA 0.407 4.757 4.350 -0.000 0.000 0.249 533 T C 1.010 175.915 174.700 0.342 0.000 1.079 533 T CA 1.342 63.587 62.100 0.241 0.000 1.013 533 T CB 0.183 69.140 68.868 0.148 0.000 0.975 533 T HN 0.731 nan 8.240 nan 0.000 0.518 534 T N 3.409 118.153 114.554 0.318 0.000 2.779 534 T HA 0.595 4.945 4.350 -0.000 0.000 0.296 534 T C 0.273 175.081 174.700 0.179 0.000 0.938 534 T CA -0.482 61.749 62.100 0.219 0.000 1.119 534 T CB 0.698 69.654 68.868 0.147 0.000 0.891 534 T HN 0.489 nan 8.240 nan 0.000 0.526 535 A N 3.745 126.583 122.820 0.030 0.000 2.328 535 A HA 0.623 4.943 4.320 -0.000 0.000 0.284 535 A C -0.192 177.297 177.584 -0.158 0.000 1.160 535 A CA -0.572 51.300 52.037 -0.276 0.000 0.818 535 A CB 0.468 19.313 19.000 -0.257 0.000 1.087 535 A HN 0.682 nan 8.150 nan 0.000 0.504 536 V N 3.048 122.853 119.914 -0.183 0.000 2.444 536 V HA 0.689 4.809 4.120 -0.000 0.000 0.294 536 V C 0.274 176.306 176.094 -0.104 0.000 1.022 536 V CA 0.068 62.319 62.300 -0.082 0.000 0.850 536 V CB 1.453 33.289 31.823 0.023 0.000 0.992 536 V HN 1.200 nan 8.190 nan 0.000 0.426 537 T N 0.856 115.357 114.554 -0.089 0.000 2.838 537 T HA 0.873 5.223 4.350 -0.000 0.000 0.292 537 T C 0.515 175.173 174.700 -0.070 0.000 1.113 537 T CA 0.165 62.207 62.100 -0.096 0.000 1.008 537 T CB 1.702 70.499 68.868 -0.117 0.000 1.259 537 T HN 1.735 nan 8.240 nan 0.000 0.520 538 G N 1.178 109.928 108.800 -0.083 0.000 2.591 538 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.298 538 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.298 538 G C 1.287 176.161 174.900 -0.043 0.000 1.195 538 G CA 1.221 46.281 45.100 -0.067 0.000 0.989 538 G HN 1.882 nan 8.290 nan 0.000 0.551 539 A N -0.758 122.040 122.820 -0.037 0.000 2.015 539 A HA 0.127 4.446 4.320 -0.000 0.000 0.219 539 A C 1.903 179.474 177.584 -0.021 0.000 1.163 539 A CA 2.334 54.355 52.037 -0.026 0.000 0.646 539 A CB -0.400 18.583 19.000 -0.027 0.000 0.806 539 A HN 0.599 nan 8.150 nan 0.000 0.448 540 D N -0.223 120.162 120.400 -0.026 0.000 2.312 540 D HA 0.025 4.665 4.640 -0.000 0.000 0.211 540 D C 0.407 176.704 176.300 -0.005 0.000 0.964 540 D CA 0.600 54.585 54.000 -0.025 0.000 0.877 540 D CB -0.069 40.707 40.800 -0.040 0.000 0.924 540 D HN 0.448 nan 8.370 nan 0.000 0.515 541 I N 1.318 121.898 120.570 0.016 0.000 2.291 541 I HA 0.007 4.176 4.170 -0.000 0.000 0.292 541 I C 1.421 177.567 176.117 0.048 0.000 1.064 541 I CA -0.460 60.877 61.300 0.061 0.000 1.269 541 I CB 1.917 39.999 38.000 0.136 0.000 1.418 541 I HN -0.281 nan 8.210 nan 0.000 0.485 542 V N 6.005 125.936 119.914 0.029 0.000 2.358 542 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 542 V C 0.982 177.097 176.094 0.034 0.000 1.047 542 V CA 1.527 63.836 62.300 0.015 0.000 1.035 542 V CB -0.289 31.532 31.823 -0.004 0.000 0.658 542 V HN 0.846 nan 8.190 nan 0.000 0.452 543 A N -1.609 121.243 122.820 0.052 0.000 2.520 543 A HA 0.615 4.935 4.320 -0.000 0.000 0.298 543 A C -1.912 175.756 177.584 0.139 0.000 1.051 543 A CA -0.390 51.691 52.037 0.073 0.000 0.690 543 A CB 1.595 20.607 19.000 0.021 0.000 1.281 543 A HN 0.261 nan 8.150 nan 0.000 0.402 544 W N 3.056 124.338 121.300 -0.031 0.000 2.900 544 W HA 0.568 5.228 4.660 -0.001 0.000 0.336 544 W C -0.890 175.641 176.519 0.019 0.000 1.064 544 W CA -0.239 57.093 57.345 -0.023 0.000 1.237 544 W CB 1.839 31.275 29.460 -0.040 0.000 1.391 544 W HN 1.051 nan 8.180 nan 0.000 0.468 545 E N 1.288 121.552 120.200 0.107 0.000 2.435 545 E HA 0.213 4.562 4.350 -0.000 0.000 0.272 545 E C -0.598 176.081 176.600 0.132 0.000 1.031 545 E CA -0.566 55.948 56.400 0.190 0.000 0.872 545 E CB 1.505 31.264 29.700 0.099 0.000 1.588 545 E HN 0.164 nan 8.360 nan 0.000 0.460 546 D N -0.491 119.979 120.400 0.117 0.000 2.219 546 D HA -0.109 4.531 4.640 -0.000 0.000 0.205 546 D C 1.548 177.761 176.300 -0.145 0.000 0.970 546 D CA 2.262 56.295 54.000 0.055 0.000 0.851 546 D CB 0.249 41.060 40.800 0.019 0.000 0.943 546 D HN 0.536 nan 8.370 nan 0.000 0.488 547 T N -3.557 110.940 114.554 -0.095 0.000 3.023 547 T HA 0.145 4.494 4.350 -0.000 0.000 0.253 547 T C 0.525 175.217 174.700 -0.014 0.000 1.038 547 T CA -0.503 61.486 62.100 -0.185 0.000 0.962 547 T CB 0.451 69.260 68.868 -0.099 0.000 1.018 547 T HN 0.070 nan 8.240 nan 0.000 0.521 548 Q N 0.205 120.070 119.800 0.108 0.000 2.295 548 Q HA 0.601 4.940 4.340 -0.000 0.000 0.268 548 Q C -2.109 173.812 176.000 -0.132 0.000 1.010 548 Q CA -0.776 55.055 55.803 0.047 0.000 0.856 548 Q CB 1.964 30.689 28.738 -0.022 0.000 1.349 548 Q HN 0.436 nan 8.270 nan 0.000 0.412 549 I N 2.743 123.115 120.570 -0.329 0.000 2.474 549 I HA 0.360 4.530 4.170 -0.000 0.000 0.294 549 I C -0.577 175.389 176.117 -0.253 0.000 1.005 549 I CA -0.626 60.390 61.300 -0.474 0.000 1.113 549 I CB 2.097 39.533 38.000 -0.940 0.000 1.289 549 I HN 0.507 nan 8.210 nan 0.000 0.436 550 Q N 4.939 124.655 119.800 -0.139 0.000 2.331 550 Q HA 0.659 4.999 4.340 -0.000 0.000 0.267 550 Q C -1.310 174.661 176.000 -0.049 0.000 1.006 550 Q CA -0.575 55.178 55.803 -0.085 0.000 0.818 550 Q CB 3.309 32.017 28.738 -0.049 0.000 1.276 550 Q HN 0.477 nan 8.270 nan 0.000 0.450 551 V N 2.721 122.609 119.914 -0.042 0.000 2.841 551 V HA 0.409 4.529 4.120 -0.000 0.000 0.310 551 V C -1.329 174.771 176.094 0.010 0.000 1.090 551 V CA -0.761 61.539 62.300 0.001 0.000 0.930 551 V CB 2.207 34.037 31.823 0.013 0.000 1.014 551 V HN 0.658 nan 8.190 nan 0.000 0.425 552 K N 5.724 126.116 120.400 -0.013 0.000 2.276 552 K HA 0.490 4.810 4.320 -0.000 0.000 0.283 552 K C -0.350 176.165 176.600 -0.141 0.000 1.044 552 K CA -0.230 56.023 56.287 -0.057 0.000 0.944 552 K CB 1.087 33.548 32.500 -0.066 0.000 1.012 552 K HN 0.598 nan 8.250 nan 0.000 0.472 553 I N 6.315 126.754 120.570 -0.217 0.000 2.668 553 I HA -0.012 4.158 4.170 -0.000 0.000 0.285 553 I C -1.514 174.288 176.117 -0.525 0.000 1.168 553 I CA -1.414 59.548 61.300 -0.564 0.000 1.424 553 I CB 0.119 37.926 38.000 -0.321 0.000 1.377 553 I HN 0.415 nan 8.210 nan 0.000 0.560 554 P HA 0.089 nan 4.420 nan 0.000 0.274 554 P C -0.748 176.363 177.300 -0.315 0.000 1.246 554 P CA -0.591 62.272 63.100 -0.396 0.000 0.795 554 P CB 0.848 32.329 31.700 -0.364 0.000 1.006 555 A N 1.762 124.472 122.820 -0.184 0.000 3.037 555 A HA 0.390 4.709 4.320 -0.000 0.000 0.272 555 A C 0.660 178.186 177.584 -0.097 0.000 1.723 555 A CA -0.375 51.589 52.037 -0.122 0.000 1.413 555 A CB -1.518 17.437 19.000 -0.075 0.000 1.112 555 A HN 0.391 nan 8.150 nan 0.000 0.606 556 V N -0.893 118.939 119.914 -0.136 0.000 2.975 556 V HA 0.712 4.832 4.120 -0.000 0.000 0.318 556 V C -2.384 173.730 176.094 0.032 0.000 1.077 556 V CA -2.506 59.762 62.300 -0.054 0.000 1.000 556 V CB 1.038 32.760 31.823 -0.168 0.000 1.066 556 V HN 0.488 nan 8.190 nan 0.000 0.452 557 P HA 0.225 nan 4.420 nan 0.000 0.269 557 P C 0.311 177.746 177.300 0.224 0.000 1.215 557 P CA 0.387 63.577 63.100 0.151 0.000 0.780 557 P CB 0.335 32.121 31.700 0.144 0.000 0.898 558 G N 0.089 108.981 108.800 0.152 0.000 2.491 558 G HA2 0.468 4.427 3.960 -0.000 0.000 0.238 558 G HA3 0.468 4.427 3.960 -0.000 0.000 0.238 558 G C 0.241 175.261 174.900 0.202 0.000 1.277 558 G CA 0.401 45.603 45.100 0.169 0.000 0.851 558 G HN 0.836 nan 8.290 nan 0.000 0.573 559 G N -0.002 108.946 108.800 0.246 0.000 2.352 559 G HA2 0.311 4.270 3.960 -0.000 0.000 0.283 559 G HA3 0.311 4.270 3.960 -0.000 0.000 0.283 559 G C -1.408 173.590 174.900 0.163 0.000 1.308 559 G CA -0.904 44.266 45.100 0.117 0.000 0.892 559 G HN 0.637 nan 8.290 nan 0.000 0.504 560 I N 0.855 121.409 120.570 -0.026 0.000 2.354 560 I HA 0.558 4.728 4.170 -0.000 0.000 0.292 560 I C -0.913 175.178 176.117 -0.043 0.000 0.989 560 I CA -0.755 60.588 61.300 0.072 0.000 1.188 560 I CB 0.779 38.792 38.000 0.022 0.000 1.342 560 I HN 0.442 nan 8.210 nan 0.000 0.457 561 Y N 3.106 123.561 120.300 0.258 0.000 2.499 561 Y HA 0.385 4.935 4.550 -0.000 0.000 0.347 561 Y C 0.214 176.253 175.900 0.231 0.000 0.987 561 Y CA -1.007 57.255 58.100 0.270 0.000 1.044 561 Y CB 1.433 40.136 38.460 0.404 0.000 1.245 561 Y HN 0.442 nan 8.280 nan 0.000 0.461 562 D N 2.702 123.275 120.400 0.287 0.000 2.255 562 D HA 0.389 5.029 4.640 -0.000 0.000 0.249 562 D C -0.402 175.968 176.300 0.117 0.000 1.078 562 D CA 0.119 54.223 54.000 0.174 0.000 0.896 562 D CB 1.655 42.516 40.800 0.102 0.000 1.194 562 D HN 0.380 nan 8.370 nan 0.000 0.429 563 I N 1.820 122.406 120.570 0.026 0.000 2.493 563 I HA 0.418 4.588 4.170 -0.000 0.000 0.298 563 I C 0.341 176.423 176.117 -0.059 0.000 0.998 563 I CA -0.642 60.548 61.300 -0.184 0.000 1.137 563 I CB 1.393 39.179 38.000 -0.356 0.000 1.310 563 I HN 0.021 nan 8.210 nan 0.000 0.445 564 R N 3.886 124.355 120.500 -0.051 0.000 2.668 564 R HA 0.652 4.992 4.340 -0.000 0.000 0.272 564 R C -1.684 174.651 176.300 0.058 0.000 1.019 564 R CA -0.849 55.265 56.100 0.023 0.000 0.894 564 R CB 2.699 33.022 30.300 0.038 0.000 1.228 564 R HN 0.259 nan 8.270 nan 0.000 0.460 565 V N 1.511 121.441 119.914 0.027 0.000 2.483 565 V HA 0.674 4.793 4.120 -0.000 0.000 0.295 565 V C -0.315 175.893 176.094 0.190 0.000 1.035 565 V CA -0.606 61.709 62.300 0.024 0.000 0.896 565 V CB 1.716 33.376 31.823 -0.272 0.000 0.986 565 V HN 0.907 nan 8.190 nan 0.000 0.447 566 A N 4.724 127.718 122.820 0.290 0.000 2.303 566 A HA 0.591 4.911 4.320 -0.000 0.000 0.320 566 A C 0.147 177.909 177.584 0.296 0.000 1.192 566 A CA -0.811 51.389 52.037 0.271 0.000 0.821 566 A CB 0.338 19.526 19.000 0.313 0.000 1.188 566 A HN 0.985 nan 8.150 nan 0.000 0.492 567 N N 1.529 120.395 118.700 0.277 0.000 2.294 567 N HA 0.339 5.079 4.740 -0.000 0.000 0.248 567 N C 1.190 176.737 175.510 0.063 0.000 1.300 567 N CA -0.121 53.106 53.050 0.295 0.000 0.925 567 N CB 0.719 39.378 38.487 0.286 0.000 1.188 567 N HN 0.498 nan 8.380 nan 0.000 0.512 568 A N -0.316 122.473 122.820 -0.052 0.000 2.084 568 A HA -0.121 4.199 4.320 -0.000 0.000 0.221 568 A C 1.898 179.453 177.584 -0.048 0.000 1.161 568 A CA 1.762 53.723 52.037 -0.128 0.000 0.653 568 A CB -1.006 17.903 19.000 -0.151 0.000 0.802 568 A HN 0.802 nan 8.150 nan 0.000 0.457 569 A N -1.909 120.914 122.820 0.005 0.000 2.415 569 A HA 0.456 4.776 4.320 -0.000 0.000 0.248 569 A C 1.714 179.315 177.584 0.028 0.000 1.299 569 A CA 0.959 53.004 52.037 0.014 0.000 0.899 569 A CB -1.033 17.983 19.000 0.026 0.000 0.997 569 A HN 1.817 nan 8.150 nan 0.000 0.506 570 G N -1.273 107.550 108.800 0.038 0.000 2.189 570 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.267 570 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.267 570 G C 0.583 175.525 174.900 0.071 0.000 0.975 570 G CA 0.416 45.551 45.100 0.058 0.000 0.644 570 G HN 1.734 nan 8.290 nan 0.000 0.537 571 A N 0.150 123.014 122.820 0.073 0.000 2.450 571 A HA 0.771 5.090 4.320 -0.000 0.000 0.255 571 A C 0.752 178.394 177.584 0.096 0.000 1.096 571 A CA 1.066 53.146 52.037 0.071 0.000 0.778 571 A CB 0.524 19.563 19.000 0.065 0.000 1.031 571 A HN 2.039 nan 8.150 nan 0.000 0.494 572 A N 2.886 125.748 122.820 0.070 0.000 2.306 572 A HA 0.658 4.977 4.320 -0.000 0.000 0.314 572 A C 0.833 178.453 177.584 0.059 0.000 1.164 572 A CA 0.078 52.159 52.037 0.073 0.000 0.822 572 A CB 0.291 19.303 19.000 0.020 0.000 1.130 572 A HN 1.667 nan 8.150 nan 0.000 0.496 573 S N 2.377 118.124 115.700 0.079 0.000 2.633 573 S HA 0.217 4.686 4.470 -0.000 0.000 0.257 573 S C 0.452 175.075 174.600 0.040 0.000 1.265 573 S CA -0.436 57.804 58.200 0.068 0.000 0.980 573 S CB 0.011 63.278 63.200 0.112 0.000 1.017 573 S HN 0.927 nan 8.310 nan 0.000 0.577 574 N N -0.115 118.608 118.700 0.039 0.000 2.371 574 N HA 0.110 4.849 4.740 -0.000 0.000 0.243 574 N C -0.458 175.093 175.510 0.068 0.000 1.287 574 N CA -0.334 52.741 53.050 0.042 0.000 0.911 574 N CB -0.097 38.419 38.487 0.049 0.000 1.142 574 N HN 0.691 nan 8.380 nan 0.000 0.451 575 I N 0.596 121.200 120.570 0.056 0.000 2.441 575 I HA 0.026 4.196 4.170 -0.000 0.000 0.287 575 I C -0.533 175.653 176.117 0.115 0.000 1.049 575 I CA -0.499 60.840 61.300 0.065 0.000 1.381 575 I CB 0.300 38.318 38.000 0.030 0.000 1.409 575 I HN 0.476 nan 8.210 nan 0.000 0.523 576 Y N 7.135 127.440 120.300 0.009 0.000 2.402 576 Y HA 0.177 4.727 4.550 -0.000 0.000 0.332 576 Y C 0.207 176.142 175.900 0.060 0.000 0.960 576 Y CA -0.935 57.186 58.100 0.034 0.000 1.228 576 Y CB 0.304 38.772 38.460 0.013 0.000 1.120 576 Y HN 0.615 nan 8.280 nan 0.000 0.491 577 D N 2.153 122.520 120.400 -0.056 0.000 2.478 577 D HA 0.102 4.742 4.640 -0.000 0.000 0.274 577 D C 0.110 176.461 176.300 0.084 0.000 1.234 577 D CA -0.399 53.624 54.000 0.037 0.000 1.069 577 D CB 0.459 41.253 40.800 -0.010 0.000 1.113 577 D HN 0.547 nan 8.370 nan 0.000 0.571 578 N N -2.508 116.261 118.700 0.114 0.000 2.747 578 N HA -0.238 4.501 4.740 -0.000 0.000 0.249 578 N C -1.255 174.368 175.510 0.188 0.000 1.107 578 N CA 0.202 53.320 53.050 0.114 0.000 0.707 578 N CB -1.912 36.603 38.487 0.047 0.000 1.054 578 N HN 0.416 nan 8.380 nan 0.000 0.555 579 F N 1.521 121.579 119.950 0.180 0.000 2.438 579 F HA 0.326 4.852 4.527 -0.001 0.000 0.356 579 F C 0.713 176.664 175.800 0.252 0.000 1.099 579 F CA -0.532 57.605 58.000 0.227 0.000 1.185 579 F CB 0.673 39.839 39.000 0.276 0.000 1.115 579 F HN 0.147 nan 8.300 nan 0.000 0.526 580 E N 5.825 125.711 120.200 -0.522 0.000 2.109 580 E HA 0.381 4.731 4.350 -0.000 0.000 0.278 580 E C -1.421 175.020 176.600 -0.264 0.000 0.954 580 E CA -0.707 55.565 56.400 -0.213 0.000 0.779 580 E CB 1.107 30.705 29.700 -0.171 0.000 1.093 580 E HN 0.505 nan 8.360 nan 0.000 0.401 581 V N 6.402 126.401 119.914 0.142 0.000 2.461 581 V HA 0.178 4.298 4.120 -0.000 0.000 0.275 581 V C 0.441 176.572 176.094 0.062 0.000 1.047 581 V CA -0.403 61.971 62.300 0.124 0.000 0.955 581 V CB 0.831 32.732 31.823 0.130 0.000 0.988 581 V HN 0.692 nan 8.190 nan 0.000 0.471 582 L N 3.931 125.155 121.223 0.002 0.000 2.399 582 L HA 0.268 4.607 4.340 -0.000 0.000 0.266 582 L C 1.692 178.570 176.870 0.013 0.000 1.114 582 L CA -0.209 54.629 54.840 -0.004 0.000 0.804 582 L CB 1.046 43.086 42.059 -0.033 0.000 1.146 582 L HN 0.674 nan 8.230 nan 0.000 0.451 583 T N 0.619 115.183 114.554 0.017 0.000 2.929 583 T HA 0.079 4.428 4.350 -0.000 0.000 0.271 583 T C 0.658 175.363 174.700 0.008 0.000 1.085 583 T CA 1.037 63.148 62.100 0.019 0.000 1.125 583 T CB -0.031 68.849 68.868 0.020 0.000 0.874 583 T HN 0.918 nan 8.240 nan 0.000 0.494 584 G N -0.012 108.787 108.800 -0.001 0.000 2.360 584 G HA2 0.250 4.209 3.960 -0.000 0.000 0.276 584 G HA3 0.250 4.209 3.960 -0.000 0.000 0.276 584 G C -2.095 172.799 174.900 -0.010 0.000 1.256 584 G CA -0.885 44.212 45.100 -0.005 0.000 0.890 584 G HN 0.030 nan 8.290 nan 0.000 0.486 585 D N 0.742 121.137 120.400 -0.008 0.000 2.378 585 D HA 0.344 4.984 4.640 -0.000 0.000 0.238 585 D C 0.035 176.329 176.300 -0.010 0.000 1.180 585 D CA 0.546 54.538 54.000 -0.013 0.000 0.895 585 D CB 0.747 41.543 40.800 -0.007 0.000 1.192 585 D HN 0.234 nan 8.370 nan 0.000 0.438 586 Q N 0.078 119.866 119.800 -0.020 0.000 2.348 586 Q HA 0.596 4.936 4.340 -0.000 0.000 0.271 586 Q C -0.391 175.615 176.000 0.010 0.000 1.067 586 Q CA -0.988 54.809 55.803 -0.011 0.000 0.839 586 Q CB 2.311 31.020 28.738 -0.048 0.000 1.354 586 Q HN 0.328 nan 8.270 nan 0.000 0.447 587 V N -2.173 117.768 119.914 0.045 0.000 3.007 587 V HA 0.714 4.834 4.120 -0.000 0.000 0.311 587 V C -0.389 175.773 176.094 0.114 0.000 1.120 587 V CA -0.853 61.496 62.300 0.083 0.000 0.980 587 V CB 1.969 33.849 31.823 0.095 0.000 1.033 587 V HN 0.671 nan 8.190 nan 0.000 0.429 588 T N 2.534 117.189 114.554 0.169 0.000 2.767 588 T HA 0.652 5.001 4.350 -0.000 0.000 0.288 588 T C -0.316 174.493 174.700 0.182 0.000 0.963 588 T CA -0.285 61.941 62.100 0.210 0.000 1.019 588 T CB 1.318 70.388 68.868 0.336 0.000 0.923 588 T HN 0.692 nan 8.240 nan 0.000 0.468 589 V N 4.042 124.042 119.914 0.144 0.000 2.459 589 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 589 V C 0.358 176.428 176.094 -0.040 0.000 1.029 589 V CA -1.054 61.221 62.300 -0.042 0.000 0.874 589 V CB 1.669 33.346 31.823 -0.242 0.000 0.985 589 V HN 0.737 nan 8.190 nan 0.000 0.438 590 R N 3.924 124.393 120.500 -0.053 0.000 2.267 590 R HA 0.425 4.765 4.340 -0.000 0.000 0.319 590 R C -1.434 174.790 176.300 -0.128 0.000 1.067 590 R CA -0.181 55.969 56.100 0.083 0.000 0.936 590 R CB 0.386 30.782 30.300 0.160 0.000 1.006 590 R HN 0.525 nan 8.270 nan 0.000 0.452 591 F N 4.020 124.062 119.950 0.153 0.000 2.436 591 F HA 0.396 4.922 4.527 -0.000 0.000 0.340 591 F C -0.242 175.675 175.800 0.194 0.000 1.113 591 F CA -0.748 57.355 58.000 0.171 0.000 1.022 591 F CB 1.983 41.150 39.000 0.279 0.000 1.128 591 F HN 0.110 nan 8.300 nan 0.000 0.466 592 V N 5.216 125.247 119.914 0.195 0.000 2.588 592 V HA 0.501 4.620 4.120 -0.000 0.000 0.304 592 V C -0.800 175.239 176.094 -0.092 0.000 1.042 592 V CA -0.838 61.435 62.300 -0.046 0.000 0.877 592 V CB 2.219 33.806 31.823 -0.394 0.000 0.996 592 V HN 0.655 nan 8.190 nan 0.000 0.425 593 I N 4.674 125.153 120.570 -0.152 0.000 2.499 593 I HA 0.546 4.716 4.170 -0.000 0.000 0.288 593 I C -0.563 175.510 176.117 -0.073 0.000 1.048 593 I CA -0.191 60.950 61.300 -0.266 0.000 1.062 593 I CB 1.578 39.129 38.000 -0.749 0.000 1.238 593 I HN 0.601 nan 8.210 nan 0.000 0.426 594 N N 6.097 124.767 118.700 -0.050 0.000 2.489 594 N HA 0.347 5.087 4.740 -0.000 0.000 0.284 594 N C -0.459 175.072 175.510 0.035 0.000 1.158 594 N CA -0.414 52.633 53.050 -0.005 0.000 0.965 594 N CB 0.935 39.416 38.487 -0.010 0.000 1.195 594 N HN 0.639 nan 8.380 nan 0.000 0.506 595 N N -0.910 117.790 118.700 0.000 0.000 2.754 595 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 595 N C -1.005 174.477 175.510 -0.046 0.000 1.093 595 N CA 0.533 53.574 53.050 -0.015 0.000 0.699 595 N CB -1.364 37.152 38.487 0.049 0.000 1.016 595 N HN 0.672 nan 8.380 nan 0.000 0.552 596 A N 0.396 123.160 122.820 -0.093 0.000 2.838 596 A HA 0.474 4.794 4.320 -0.000 0.000 0.337 596 A C 0.827 178.302 177.584 -0.182 0.000 1.383 596 A CA -0.149 51.705 52.037 -0.306 0.000 0.985 596 A CB 0.049 18.869 19.000 -0.300 0.000 1.157 596 A HN 0.278 nan 8.150 nan 0.000 0.497 597 T N 0.271 114.686 114.554 -0.230 0.000 2.897 597 T HA 0.589 4.939 4.350 -0.000 0.000 0.294 597 T C 0.311 175.058 174.700 0.079 0.000 1.004 597 T CA 0.206 62.299 62.100 -0.012 0.000 1.106 597 T CB 0.991 69.850 68.868 -0.016 0.000 0.949 597 T HN 0.862 nan 8.240 nan 0.000 0.520 598 T N -0.654 114.120 114.554 0.366 0.000 2.906 598 T HA 0.786 5.136 4.350 -0.000 0.000 0.295 598 T C 0.066 174.840 174.700 0.124 0.000 1.075 598 T CA -0.820 61.375 62.100 0.159 0.000 1.005 598 T CB 1.468 70.453 68.868 0.195 0.000 1.136 598 T HN 1.039 nan 8.240 nan 0.000 0.498 599 A N 1.740 124.590 122.820 0.049 0.000 2.249 599 A HA 0.653 4.973 4.320 -0.000 0.000 0.281 599 A C 0.374 177.972 177.584 0.023 0.000 1.127 599 A CA -0.947 51.108 52.037 0.030 0.000 0.833 599 A CB 0.071 19.080 19.000 0.015 0.000 1.140 599 A HN 0.985 nan 8.150 nan 0.000 0.502 600 L N 0.618 121.846 121.223 0.008 0.000 2.455 600 L HA 0.382 4.721 4.340 -0.000 0.000 0.272 600 L C 1.250 178.133 176.870 0.021 0.000 1.174 600 L CA 1.876 56.719 54.840 0.004 0.000 0.869 600 L CB -0.029 42.028 42.059 -0.003 0.000 1.130 600 L HN 1.430 nan 8.230 nan 0.000 0.474 601 G N 3.442 112.263 108.800 0.035 0.000 2.159 601 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.256 601 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.256 601 G C 0.161 175.101 174.900 0.065 0.000 0.977 601 G CA 0.474 45.603 45.100 0.048 0.000 0.652 601 G HN 0.684 nan 8.290 nan 0.000 0.531 602 Q N 0.180 120.022 119.800 0.070 0.000 2.312 602 Q HA 0.610 4.949 4.340 -0.000 0.000 0.263 602 Q C -0.762 175.283 176.000 0.075 0.000 0.995 602 Q CA -0.853 54.985 55.803 0.059 0.000 0.853 602 Q CB 0.827 29.575 28.738 0.017 0.000 1.300 602 Q HN 0.296 nan 8.270 nan 0.000 0.448 603 N N 1.559 120.284 118.700 0.041 0.000 2.321 603 N HA 0.408 5.148 4.740 -0.000 0.000 0.290 603 N C -1.341 173.917 175.510 -0.419 0.000 1.212 603 N CA -0.421 52.518 53.050 -0.185 0.000 0.767 603 N CB 2.238 40.684 38.487 -0.069 0.000 1.494 603 N HN 0.302 nan 8.380 nan 0.000 0.479 604 V N 1.781 121.030 119.914 -1.108 0.000 2.567 604 V HA 0.542 4.662 4.120 -0.000 0.000 0.289 604 V C -0.581 175.098 176.094 -0.691 0.000 1.049 604 V CA -0.046 61.775 62.300 -0.797 0.000 0.969 604 V CB 0.235 31.309 31.823 -1.248 0.000 0.995 604 V HN 0.477 nan 8.190 nan 0.000 0.471 605 F N 3.323 123.142 119.950 -0.219 0.000 2.675 605 F HA 0.793 5.319 4.527 -0.000 0.000 0.324 605 F C -0.479 175.256 175.800 -0.109 0.000 1.106 605 F CA -0.938 56.939 58.000 -0.205 0.000 0.970 605 F CB 1.891 40.752 39.000 -0.233 0.000 1.385 605 F HN 0.350 nan 8.300 nan 0.000 0.489 606 L N 0.628 121.835 121.223 -0.026 0.000 2.431 606 L HA 0.858 5.198 4.340 -0.000 0.000 0.266 606 L C -0.759 175.970 176.870 -0.235 0.000 0.978 606 L CA 0.157 54.834 54.840 -0.272 0.000 0.822 606 L CB 2.123 43.869 42.059 -0.523 0.000 1.310 606 L HN 0.665 nan 8.230 nan 0.000 0.409 607 T N 2.220 116.647 114.554 -0.212 0.000 2.841 607 T HA 0.956 5.306 4.350 -0.000 0.000 0.296 607 T C -0.670 173.814 174.700 -0.360 0.000 1.166 607 T CA 0.020 62.004 62.100 -0.194 0.000 1.007 607 T CB 1.569 70.426 68.868 -0.019 0.000 1.253 607 T HN 1.178 nan 8.240 nan 0.000 0.511 608 G N 0.570 108.964 108.800 -0.677 0.000 2.561 608 G HA2 0.290 4.249 3.960 -0.000 0.000 0.310 608 G HA3 0.290 4.249 3.960 -0.000 0.000 0.310 608 G C -0.423 173.642 174.900 -1.392 0.000 1.292 608 G CA -0.117 44.233 45.100 -1.251 0.000 0.811 608 G HN 0.932 nan 8.290 nan 0.000 0.482 609 N N -1.329 116.739 118.700 -1.053 0.000 2.362 609 N HA 0.268 5.008 4.740 -0.000 0.000 0.211 609 N C 0.305 175.680 175.510 -0.224 0.000 1.170 609 N CA 0.044 52.734 53.050 -0.601 0.000 0.828 609 N CB 0.376 38.851 38.487 -0.020 0.000 1.034 609 N HN 0.550 nan 8.380 nan 0.000 0.475 610 V N -3.800 115.989 119.914 -0.208 0.000 3.102 610 V HA 0.421 4.541 4.120 -0.000 0.000 0.312 610 V C 1.237 177.283 176.094 -0.080 0.000 1.135 610 V CA -0.737 61.515 62.300 -0.081 0.000 1.022 610 V CB 1.330 33.130 31.823 -0.040 0.000 1.056 610 V HN 0.139 nan 8.190 nan 0.000 0.436 611 S N -0.048 115.638 115.700 -0.024 0.000 2.399 611 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 611 S C 1.335 175.924 174.600 -0.019 0.000 1.022 611 S CA 1.604 59.797 58.200 -0.011 0.000 0.983 611 S CB -0.580 62.636 63.200 0.026 0.000 0.803 611 S HN 0.893 nan 8.310 nan 0.000 0.480 612 E N 1.288 121.476 120.200 -0.019 0.000 2.204 612 E HA 0.091 4.441 4.350 -0.000 0.000 0.195 612 E C 1.445 178.025 176.600 -0.034 0.000 0.990 612 E CA 0.749 57.143 56.400 -0.009 0.000 0.821 612 E CB -0.289 29.412 29.700 0.001 0.000 0.750 612 E HN 0.541 nan 8.360 nan 0.000 0.477 613 L N -1.231 119.934 121.223 -0.096 0.000 2.667 613 L HA 0.289 4.628 4.340 -0.000 0.000 0.232 613 L C 0.926 177.711 176.870 -0.142 0.000 1.138 613 L CA 0.214 54.958 54.840 -0.159 0.000 0.921 613 L CB 0.329 42.227 42.059 -0.268 0.000 1.180 613 L HN 0.313 nan 8.230 nan 0.000 0.487 614 G N 0.309 109.058 108.800 -0.085 0.000 2.132 614 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.234 614 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.234 614 G C 0.348 175.226 174.900 -0.036 0.000 0.989 614 G CA 0.123 45.194 45.100 -0.047 0.000 0.676 614 G HN 0.556 nan 8.290 nan 0.000 0.522 615 N N -1.409 117.235 118.700 -0.093 0.000 2.698 615 N HA -0.247 4.493 4.740 -0.000 0.000 0.258 615 N C 0.934 176.512 175.510 0.113 0.000 0.978 615 N CA 1.418 54.428 53.050 -0.065 0.000 0.777 615 N CB -1.063 37.441 38.487 0.029 0.000 0.907 615 N HN 1.010 nan 8.380 nan 0.000 0.543 616 W N -3.234 118.125 121.300 0.097 0.000 2.560 616 W HA -0.254 4.405 4.660 -0.001 0.000 0.279 616 W C 0.251 176.903 176.519 0.221 0.000 1.090 616 W CA 0.182 57.632 57.345 0.175 0.000 0.535 616 W CB -1.172 28.352 29.460 0.106 0.000 2.121 616 W HN 0.314 nan 8.180 nan 0.000 1.314 617 D N -0.131 120.439 120.400 0.284 0.000 2.317 617 D HA 0.225 4.865 4.640 -0.000 0.000 0.234 617 D C -1.047 175.306 176.300 0.089 0.000 1.112 617 D CA -2.188 51.928 54.000 0.193 0.000 0.840 617 D CB 1.419 42.281 40.800 0.102 0.000 1.078 617 D HN -0.232 nan 8.370 nan 0.000 0.486 618 P HA -0.138 nan 4.420 nan 0.000 0.217 618 P C 0.881 178.055 177.300 -0.211 0.000 1.151 618 P CA 0.919 63.919 63.100 -0.167 0.000 0.849 618 P CB 0.336 31.932 31.700 -0.173 0.000 0.787 619 N N -1.234 117.397 118.700 -0.115 0.000 2.396 619 N HA -0.049 4.690 4.740 -0.000 0.000 0.180 619 N C 0.708 176.162 175.510 -0.093 0.000 1.028 619 N CA 0.868 53.847 53.050 -0.118 0.000 0.893 619 N CB -0.530 37.919 38.487 -0.064 0.000 0.967 619 N HN 0.179 nan 8.380 nan 0.000 0.440 620 N N 0.394 119.057 118.700 -0.060 0.000 2.238 620 N HA 0.153 4.893 4.740 -0.000 0.000 0.222 620 N C -0.250 175.235 175.510 -0.041 0.000 1.133 620 N CA -0.123 52.904 53.050 -0.037 0.000 0.854 620 N CB 0.577 39.056 38.487 -0.013 0.000 1.041 620 N HN 0.087 nan 8.380 nan 0.000 0.510 621 A N 0.744 123.517 122.820 -0.079 0.000 2.386 621 A HA 0.320 4.640 4.320 -0.000 0.000 0.248 621 A C 0.399 178.016 177.584 0.054 0.000 1.082 621 A CA -0.274 51.734 52.037 -0.048 0.000 0.789 621 A CB 0.354 19.290 19.000 -0.108 0.000 1.025 621 A HN 0.077 nan 8.150 nan 0.000 0.490 622 I N 1.660 122.230 120.570 0.002 0.000 2.533 622 I HA 0.490 4.660 4.170 -0.000 0.000 0.284 622 I C 1.041 177.062 176.117 -0.162 0.000 1.109 622 I CA 1.345 62.625 61.300 -0.034 0.000 1.412 622 I CB -0.625 37.334 38.000 -0.069 0.000 1.396 622 I HN 0.989 nan 8.210 nan 0.000 0.543 623 G N 7.843 116.451 108.800 -0.321 0.000 2.339 623 G HA2 0.146 4.105 3.960 -0.000 0.000 0.275 623 G HA3 0.146 4.105 3.960 -0.000 0.000 0.275 623 G C -3.209 171.389 174.900 -0.503 0.000 1.323 623 G CA -0.953 43.642 45.100 -0.842 0.000 0.927 623 G HN 0.355 nan 8.290 nan 0.000 0.486 624 P HA 0.295 nan 4.420 nan 0.000 0.264 624 P C 0.448 177.265 177.300 -0.805 0.000 1.183 624 P CA 0.292 62.791 63.100 -1.001 0.000 0.763 624 P CB 0.268 31.734 31.700 -0.390 0.000 0.807 625 M N 2.071 121.238 119.600 -0.721 0.000 2.198 625 M HA 0.164 4.644 4.480 -0.000 0.000 0.315 625 M C 0.181 176.533 176.300 0.087 0.000 1.134 625 M CA 0.253 55.267 55.300 -0.477 0.000 1.171 625 M CB 0.134 32.656 32.600 -0.130 0.000 1.413 625 M HN 0.278 nan 8.290 nan 0.000 0.467 626 Y N 0.763 121.070 120.300 0.012 0.000 2.392 626 Y HA 0.279 4.829 4.550 -0.001 0.000 0.323 626 Y C 0.715 176.415 175.900 -0.333 0.000 1.291 626 Y CA -1.413 56.526 58.100 -0.268 0.000 1.345 626 Y CB 0.449 38.490 38.460 -0.698 0.000 1.320 626 Y HN 0.716 nan 8.280 nan 0.000 0.518 627 N N -1.686 116.946 118.700 -0.114 0.000 2.393 627 N HA 0.115 4.855 4.740 -0.000 0.000 0.256 627 N C -0.554 174.918 175.510 -0.063 0.000 1.449 627 N CA -0.023 52.911 53.050 -0.192 0.000 0.887 627 N CB 0.329 38.240 38.487 -0.959 0.000 1.374 627 N HN 0.616 nan 8.380 nan 0.000 0.503 628 Q N -0.291 119.539 119.800 0.051 0.000 2.563 628 Q HA 0.234 4.573 4.340 -0.000 0.000 0.236 628 Q C 1.461 177.416 176.000 -0.076 0.000 0.792 628 Q CA 0.134 55.915 55.803 -0.037 0.000 0.960 628 Q CB 0.855 29.542 28.738 -0.084 0.000 1.304 628 Q HN 0.095 nan 8.270 nan 0.000 0.566 629 V N 0.317 120.166 119.914 -0.108 0.000 2.326 629 V HA -0.084 4.036 4.120 -0.000 0.000 0.237 629 V C 2.031 177.680 176.094 -0.742 0.000 1.044 629 V CA 1.180 63.246 62.300 -0.391 0.000 1.035 629 V CB -0.259 31.335 31.823 -0.382 0.000 0.675 629 V HN 0.091 nan 8.190 nan 0.000 0.470 630 V N -1.640 117.663 119.914 -1.019 0.000 2.453 630 V HA -0.057 4.062 4.120 -0.000 0.000 0.247 630 V C 0.550 175.972 176.094 -1.121 0.000 1.048 630 V CA 1.409 62.930 62.300 -1.298 0.000 1.049 630 V CB -0.561 30.267 31.823 -1.659 0.000 0.672 630 V HN 0.507 nan 8.190 nan 0.000 0.457 631 Y N -1.581 118.367 120.300 -0.586 0.000 2.562 631 Y HA 0.672 5.221 4.550 -0.000 0.000 0.345 631 Y C -0.365 175.497 175.900 -0.064 0.000 1.045 631 Y CA -1.296 56.670 58.100 -0.223 0.000 1.028 631 Y CB 1.748 40.139 38.460 -0.115 0.000 1.297 631 Y HN -0.029 nan 8.280 nan 0.000 0.463 632 Q N 0.604 120.465 119.800 0.101 0.000 2.345 632 Q HA 0.330 4.670 4.340 -0.000 0.000 0.268 632 Q C -1.379 174.624 176.000 0.004 0.000 1.054 632 Q CA -1.061 54.761 55.803 0.033 0.000 0.835 632 Q CB 1.540 30.282 28.738 0.008 0.000 1.339 632 Q HN 0.585 nan 8.270 nan 0.000 0.447 633 Y N 3.972 124.154 120.300 -0.197 0.000 2.904 633 Y HA -0.011 4.539 4.550 -0.000 0.000 0.336 633 Y C -1.233 174.621 175.900 -0.077 0.000 1.263 633 Y CA -0.564 57.383 58.100 -0.254 0.000 1.547 633 Y CB 0.693 38.960 38.460 -0.323 0.000 1.272 633 Y HN 0.557 nan 8.280 nan 0.000 0.596 634 P HA 0.053 nan 4.420 nan 0.000 0.253 634 P C -0.774 176.406 177.300 -0.200 0.000 1.508 634 P CA 0.133 62.702 63.100 -0.885 0.000 0.883 634 P CB -0.117 31.104 31.700 -0.798 0.000 1.519 635 T N 0.553 115.039 114.554 -0.114 0.000 2.795 635 T HA 0.349 4.698 4.350 -0.000 0.000 0.282 635 T C -0.750 174.001 174.700 0.086 0.000 0.980 635 T CA -0.000 62.131 62.100 0.052 0.000 1.012 635 T CB 0.784 69.675 68.868 0.039 0.000 0.936 635 T HN 0.032 nan 8.240 nan 0.000 0.457 636 W N 2.899 124.215 121.300 0.025 0.000 2.781 636 W HA 0.639 5.299 4.660 -0.001 0.000 0.345 636 W C -0.741 175.875 176.519 0.161 0.000 1.085 636 W CA -0.919 56.486 57.345 0.101 0.000 1.198 636 W CB 1.023 30.484 29.460 0.002 0.000 1.423 636 W HN 0.705 nan 8.180 nan 0.000 0.532 637 Y N -0.340 120.152 120.300 0.321 0.000 2.615 637 Y HA 0.814 5.364 4.550 -0.000 0.000 0.341 637 Y C -1.880 174.277 175.900 0.429 0.000 1.089 637 Y CA -2.796 55.469 58.100 0.275 0.000 1.049 637 Y CB 1.662 40.270 38.460 0.247 0.000 1.296 637 Y HN 0.534 nan 8.280 nan 0.000 0.470 638 Y N 0.497 120.957 120.300 0.267 0.000 2.521 638 Y HA 0.301 4.851 4.550 -0.000 0.000 0.326 638 Y C -1.718 174.382 175.900 0.335 0.000 1.176 638 Y CA -1.128 57.049 58.100 0.129 0.000 1.079 638 Y CB 1.756 40.206 38.460 -0.017 0.000 1.341 638 Y HN 0.771 nan 8.280 nan 0.000 0.456 639 D N 4.260 124.757 120.400 0.162 0.000 2.232 639 D HA 0.510 5.150 4.640 -0.000 0.000 0.242 639 D C -1.010 175.426 176.300 0.227 0.000 1.093 639 D CA 0.098 54.254 54.000 0.260 0.000 0.845 639 D CB 2.067 43.047 40.800 0.299 0.000 1.124 639 D HN 0.201 nan 8.370 nan 0.000 0.467 640 V N 1.117 121.238 119.914 0.345 0.000 2.760 640 V HA 0.273 4.393 4.120 -0.000 0.000 0.309 640 V C 0.146 176.394 176.094 0.256 0.000 1.077 640 V CA -0.919 61.576 62.300 0.325 0.000 0.910 640 V CB 2.194 34.225 31.823 0.347 0.000 1.008 640 V HN 0.468 nan 8.190 nan 0.000 0.424 641 S N 3.139 118.937 115.700 0.163 0.000 2.499 641 S HA 0.685 5.155 4.470 -0.000 0.000 0.275 641 S C -0.457 174.199 174.600 0.092 0.000 1.257 641 S CA -0.347 57.907 58.200 0.091 0.000 1.050 641 S CB 0.459 63.656 63.200 -0.006 0.000 0.937 641 S HN 1.087 nan 8.310 nan 0.000 0.490 642 V N 3.004 122.977 119.914 0.097 0.000 3.114 642 V HA 0.788 4.908 4.120 -0.000 0.000 0.308 642 V C -2.879 173.254 176.094 0.064 0.000 1.168 642 V CA -2.757 59.597 62.300 0.089 0.000 1.015 642 V CB 1.732 33.649 31.823 0.155 0.000 1.050 642 V HN 0.655 nan 8.190 nan 0.000 0.433 643 P HA 0.313 nan 4.420 nan 0.000 0.271 643 P C -0.232 177.092 177.300 0.040 0.000 1.216 643 P CA 0.452 63.571 63.100 0.033 0.000 0.771 643 P CB 1.048 32.763 31.700 0.025 0.000 0.864 644 A N 2.872 125.710 122.820 0.029 0.000 2.340 644 A HA 0.537 4.857 4.320 -0.000 0.000 0.268 644 A C 1.340 178.931 177.584 0.012 0.000 1.100 644 A CA 0.254 52.307 52.037 0.027 0.000 0.803 644 A CB -0.820 18.193 19.000 0.023 0.000 1.043 644 A HN 0.823 nan 8.150 nan 0.000 0.488 645 G N 0.524 109.324 108.800 -0.000 0.000 2.176 645 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.252 645 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.252 645 G C -0.059 174.829 174.900 -0.021 0.000 1.024 645 G CA 0.760 45.850 45.100 -0.016 0.000 0.755 645 G HN 1.635 nan 8.290 nan 0.000 0.507 646 Q N -1.661 118.127 119.800 -0.019 0.000 2.553 646 Q HA 0.727 5.066 4.340 -0.000 0.000 0.293 646 Q C -0.793 175.201 176.000 -0.011 0.000 1.038 646 Q CA -0.880 54.917 55.803 -0.009 0.000 0.777 646 Q CB 0.996 29.742 28.738 0.015 0.000 1.487 646 Q HN 0.097 nan 8.270 nan 0.000 0.426 647 T N 2.513 117.074 114.554 0.011 0.000 2.729 647 T HA 0.456 4.806 4.350 -0.000 0.000 0.296 647 T C 0.213 174.978 174.700 0.110 0.000 0.928 647 T CA -0.547 61.579 62.100 0.043 0.000 1.045 647 T CB -0.236 68.658 68.868 0.044 0.000 0.902 647 T HN 0.480 nan 8.240 nan 0.000 0.500 648 I N 0.361 121.042 120.570 0.184 0.000 2.577 648 I HA 0.665 4.835 4.170 -0.000 0.000 0.305 648 I C -0.105 176.226 176.117 0.357 0.000 0.986 648 I CA -0.975 60.454 61.300 0.215 0.000 1.189 648 I CB 1.452 39.561 38.000 0.182 0.000 1.355 648 I HN 0.417 nan 8.210 nan 0.000 0.476 649 E N 4.188 124.567 120.200 0.300 0.000 2.202 649 E HA 0.693 5.043 4.350 -0.000 0.000 0.272 649 E C -1.337 175.461 176.600 0.329 0.000 0.951 649 E CA -0.576 56.040 56.400 0.361 0.000 0.813 649 E CB 2.395 32.334 29.700 0.399 0.000 1.151 649 E HN 0.634 nan 8.360 nan 0.000 0.398 650 F N -1.250 118.773 119.950 0.122 0.000 2.817 650 F HA 0.660 5.187 4.527 -0.001 0.000 0.317 650 F C -1.386 174.525 175.800 0.184 0.000 1.168 650 F CA -1.168 56.784 58.000 -0.081 0.000 0.911 650 F CB 1.609 40.457 39.000 -0.253 0.000 1.337 650 F HN 0.117 nan 8.300 nan 0.000 0.464 651 K N 0.669 121.185 120.400 0.193 0.000 2.568 651 K HA 0.513 4.833 4.320 -0.000 0.000 0.273 651 K C -2.108 174.517 176.600 0.041 0.000 0.951 651 K CA -0.673 55.725 56.287 0.184 0.000 0.854 651 K CB 2.898 35.707 32.500 0.515 0.000 1.424 651 K HN 0.589 nan 8.250 nan 0.000 0.427 652 F N 2.063 122.104 119.950 0.151 0.000 2.450 652 F HA 0.625 5.152 4.527 -0.000 0.000 0.328 652 F C 0.256 176.131 175.800 0.124 0.000 1.068 652 F CA -0.786 57.296 58.000 0.136 0.000 1.007 652 F CB 1.031 40.146 39.000 0.192 0.000 1.251 652 F HN 0.268 nan 8.300 nan 0.000 0.492 653 L N -1.037 120.378 121.223 0.320 0.000 2.518 653 L HA 0.657 4.997 4.340 -0.000 0.000 0.257 653 L C -1.653 175.316 176.870 0.164 0.000 0.980 653 L CA -1.285 53.646 54.840 0.151 0.000 0.837 653 L CB 2.173 43.927 42.059 -0.509 0.000 1.410 653 L HN 0.427 nan 8.230 nan 0.000 0.410 654 K N 1.441 121.891 120.400 0.082 0.000 2.138 654 K HA 0.641 4.961 4.320 -0.000 0.000 0.263 654 K C -1.118 175.450 176.600 -0.053 0.000 0.965 654 K CA -0.819 55.443 56.287 -0.042 0.000 0.868 654 K CB 1.988 34.387 32.500 -0.169 0.000 1.083 654 K HN 0.491 nan 8.250 nan 0.000 0.443 655 K N 2.604 123.004 120.400 -0.001 0.000 2.427 655 K HA 0.199 4.519 4.320 -0.000 0.000 0.252 655 K C -1.237 175.353 176.600 -0.018 0.000 0.931 655 K CA -0.793 55.419 56.287 -0.126 0.000 0.793 655 K CB 2.253 34.498 32.500 -0.426 0.000 1.211 655 K HN 0.600 nan 8.250 nan 0.000 0.426 656 Q N 1.403 121.180 119.800 -0.038 0.000 2.294 656 Q HA 0.478 4.817 4.340 -0.000 0.000 0.264 656 Q C 0.331 176.317 176.000 -0.024 0.000 0.992 656 Q CA -0.779 55.021 55.803 -0.005 0.000 0.747 656 Q CB 1.746 30.485 28.738 0.001 0.000 1.262 656 Q HN 0.748 nan 8.270 nan 0.000 0.452 657 G N 2.835 111.623 108.800 -0.020 0.000 2.629 657 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.313 657 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.313 657 G C 0.558 175.426 174.900 -0.053 0.000 1.217 657 G CA 0.477 45.560 45.100 -0.027 0.000 0.994 657 G HN 0.799 nan 8.290 nan 0.000 0.549 658 S N 0.752 116.427 115.700 -0.040 0.000 2.605 658 S HA 0.406 4.876 4.470 -0.000 0.000 0.217 658 S C 0.461 175.034 174.600 -0.045 0.000 0.958 658 S CA 1.034 59.207 58.200 -0.046 0.000 0.919 658 S CB 0.461 63.645 63.200 -0.027 0.000 0.780 658 S HN 0.822 nan 8.310 nan 0.000 0.507 659 T N 2.406 116.931 114.554 -0.047 0.000 2.770 659 T HA 0.486 4.836 4.350 -0.000 0.000 0.283 659 T C -0.351 174.309 174.700 -0.066 0.000 0.988 659 T CA -0.397 61.684 62.100 -0.032 0.000 0.957 659 T CB 1.724 70.585 68.868 -0.012 0.000 0.930 659 T HN -0.068 nan 8.240 nan 0.000 0.443 660 V N 4.034 123.909 119.914 -0.064 0.000 2.398 660 V HA 0.464 4.584 4.120 -0.000 0.000 0.286 660 V C 0.214 176.276 176.094 -0.054 0.000 1.026 660 V CA -0.603 61.607 62.300 -0.151 0.000 0.868 660 V CB 1.725 33.432 31.823 -0.193 0.000 0.982 660 V HN 0.980 nan 8.190 nan 0.000 0.443 661 T N 4.488 119.010 114.554 -0.053 0.000 2.809 661 T HA 0.376 4.726 4.350 -0.000 0.000 0.296 661 T C -0.656 174.162 174.700 0.196 0.000 1.015 661 T CA -0.295 61.879 62.100 0.123 0.000 0.954 661 T CB 0.354 69.295 68.868 0.121 0.000 0.950 661 T HN 0.545 nan 8.240 nan 0.000 0.450 662 W N 1.972 123.379 121.300 0.177 0.000 2.251 662 W HA 0.340 5.000 4.660 -0.001 0.000 0.329 662 W C 0.903 177.470 176.519 0.079 0.000 1.234 662 W CA -0.853 56.574 57.345 0.137 0.000 1.228 662 W CB 0.393 29.875 29.460 0.038 0.000 1.135 662 W HN 0.555 nan 8.180 nan 0.000 0.576 663 E N 0.988 121.220 120.200 0.053 0.000 2.442 663 E HA 0.119 4.468 4.350 -0.000 0.000 0.262 663 E C 0.726 177.240 176.600 -0.143 0.000 1.004 663 E CA 0.128 56.232 56.400 -0.493 0.000 0.928 663 E CB 0.574 29.910 29.700 -0.608 0.000 0.937 663 E HN 0.629 nan 8.360 nan 0.000 0.446 664 G N 1.145 109.841 108.800 -0.173 0.000 2.535 664 G HA2 0.506 4.466 3.960 -0.000 0.000 0.282 664 G HA3 0.506 4.466 3.960 -0.000 0.000 0.282 664 G C 0.296 175.122 174.900 -0.123 0.000 1.350 664 G CA 0.049 45.095 45.100 -0.090 0.000 1.039 664 G HN 0.788 nan 8.290 nan 0.000 0.509 665 G N -1.737 107.006 108.800 -0.095 0.000 2.725 665 G HA2 0.374 4.334 3.960 -0.000 0.000 0.220 665 G HA3 0.374 4.334 3.960 -0.000 0.000 0.220 665 G C 0.332 175.169 174.900 -0.104 0.000 1.357 665 G CA 0.081 45.127 45.100 -0.091 0.000 0.866 665 G HN 2.004 nan 8.290 nan 0.000 0.548 666 A N -0.077 122.689 122.820 -0.090 0.000 2.366 666 A HA 0.609 4.928 4.320 -0.000 0.000 0.249 666 A C 0.756 178.282 177.584 -0.098 0.000 1.084 666 A CA 0.205 52.187 52.037 -0.092 0.000 0.794 666 A CB 0.119 19.080 19.000 -0.064 0.000 1.034 666 A HN 1.006 nan 8.150 nan 0.000 0.491 667 N N 0.759 119.404 118.700 -0.092 0.000 2.441 667 N HA 0.125 4.865 4.740 -0.000 0.000 0.251 667 N C 0.044 175.490 175.510 -0.107 0.000 1.242 667 N CA 0.370 53.386 53.050 -0.055 0.000 0.898 667 N CB 0.301 38.816 38.487 0.047 0.000 1.100 667 N HN 0.556 nan 8.380 nan 0.000 0.443 668 R N 0.041 120.370 120.500 -0.285 0.000 2.490 668 R HA 0.382 4.722 4.340 -0.000 0.000 0.278 668 R C 0.184 176.305 176.300 -0.298 0.000 1.069 668 R CA -0.393 55.430 56.100 -0.461 0.000 1.080 668 R CB 0.532 30.192 30.300 -1.067 0.000 1.030 668 R HN 0.602 nan 8.270 nan 0.000 0.491 669 T N -1.080 113.489 114.554 0.025 0.000 2.908 669 T HA 0.667 5.017 4.350 -0.000 0.000 0.290 669 T C -0.889 174.144 174.700 0.555 0.000 1.034 669 T CA -0.759 61.505 62.100 0.274 0.000 1.010 669 T CB 1.433 70.404 68.868 0.172 0.000 1.068 669 T HN 0.453 nan 8.240 nan 0.000 0.481 670 F N 0.705 120.894 119.950 0.399 0.000 2.615 670 F HA 0.533 5.060 4.527 -0.000 0.000 0.312 670 F C -1.021 174.885 175.800 0.178 0.000 1.119 670 F CA -0.601 57.582 58.000 0.306 0.000 0.979 670 F CB 2.084 41.301 39.000 0.362 0.000 1.266 670 F HN 0.717 nan 8.300 nan 0.000 0.444 671 T N 4.101 118.199 114.554 -0.761 0.000 2.738 671 T HA 0.379 4.729 4.350 -0.000 0.000 0.298 671 T C 0.017 174.223 174.700 -0.823 0.000 0.962 671 T CA -0.368 61.407 62.100 -0.543 0.000 0.972 671 T CB 0.403 69.071 68.868 -0.333 0.000 0.928 671 T HN 0.717 nan 8.240 nan 0.000 0.474 672 T N 3.266 117.597 114.554 -0.372 0.000 2.898 672 T HA 0.354 4.703 4.350 -0.000 0.000 0.301 672 T C -2.229 172.408 174.700 -0.106 0.000 1.049 672 T CA -1.614 60.397 62.100 -0.149 0.000 1.095 672 T CB 0.383 69.286 68.868 0.058 0.000 0.976 672 T HN 0.253 nan 8.240 nan 0.000 0.539 673 P HA 0.107 nan 4.420 nan 0.000 0.272 673 P C 1.041 178.351 177.300 0.016 0.000 1.240 673 P CA -0.303 62.802 63.100 0.007 0.000 0.791 673 P CB 0.566 32.298 31.700 0.053 0.000 0.978 674 T N -2.691 111.871 114.554 0.013 0.000 3.043 674 T HA 0.087 4.436 4.350 -0.000 0.000 0.263 674 T C 0.874 175.590 174.700 0.026 0.000 1.094 674 T CA 0.551 62.660 62.100 0.014 0.000 1.127 674 T CB -0.413 68.460 68.868 0.007 0.000 0.905 674 T HN 0.689 nan 8.240 nan 0.000 0.490 675 S N -1.189 114.534 115.700 0.038 0.000 2.615 675 S HA 0.671 5.141 4.470 -0.000 0.000 0.269 675 S C 0.166 174.809 174.600 0.072 0.000 1.161 675 S CA -0.394 57.836 58.200 0.051 0.000 0.817 675 S CB 1.285 64.510 63.200 0.041 0.000 1.131 675 S HN 1.459 nan 8.310 nan 0.000 0.467 676 G N 0.714 109.571 108.800 0.096 0.000 2.693 676 G HA2 0.216 4.176 3.960 -0.000 0.000 0.226 676 G HA3 0.216 4.176 3.960 -0.000 0.000 0.226 676 G C -0.087 174.890 174.900 0.129 0.000 1.354 676 G CA 0.268 45.435 45.100 0.111 0.000 0.873 676 G HN 2.223 nan 8.290 nan 0.000 0.562 677 T N -2.256 112.372 114.554 0.124 0.000 2.905 677 T HA 1.038 5.388 4.350 -0.000 0.000 0.283 677 T C 0.109 174.878 174.700 0.115 0.000 1.031 677 T CA 0.472 62.652 62.100 0.134 0.000 1.002 677 T CB 1.876 70.831 68.868 0.146 0.000 1.200 677 T HN 2.588 nan 8.240 nan 0.000 0.560 678 A N 0.129 123.008 122.820 0.098 0.000 2.606 678 A HA 0.760 5.080 4.320 -0.000 0.000 0.293 678 A C -0.680 176.883 177.584 -0.034 0.000 1.082 678 A CA -0.914 51.175 52.037 0.088 0.000 0.685 678 A CB 1.471 20.612 19.000 0.235 0.000 1.284 678 A HN 0.873 nan 8.150 nan 0.000 0.408 679 T N 0.852 115.366 114.554 -0.067 0.000 2.824 679 T HA 0.554 4.904 4.350 -0.000 0.000 0.282 679 T C -0.993 173.541 174.700 -0.277 0.000 0.993 679 T CA -0.356 61.655 62.100 -0.148 0.000 0.967 679 T CB 1.436 70.296 68.868 -0.013 0.000 0.960 679 T HN 0.612 nan 8.240 nan 0.000 0.441 680 V N 4.503 124.151 119.914 -0.443 0.000 2.328 680 V HA 0.445 4.564 4.120 -0.000 0.000 0.278 680 V C -0.103 175.914 176.094 -0.128 0.000 1.021 680 V CA -0.837 61.203 62.300 -0.434 0.000 0.838 680 V CB 1.114 32.503 31.823 -0.723 0.000 0.999 680 V HN 0.745 nan 8.190 nan 0.000 0.447 681 N N 4.632 123.300 118.700 -0.053 0.000 2.479 681 N HA 0.614 5.354 4.740 -0.000 0.000 0.261 681 N C -0.790 174.734 175.510 0.024 0.000 0.979 681 N CA -0.102 52.930 53.050 -0.030 0.000 0.930 681 N CB 2.036 40.503 38.487 -0.033 0.000 1.172 681 N HN 0.541 nan 8.380 nan 0.000 0.499 682 V N 1.036 120.967 119.914 0.028 0.000 3.167 682 V HA 0.727 4.847 4.120 -0.000 0.000 0.310 682 V C -0.765 175.323 176.094 -0.009 0.000 1.207 682 V CA -1.039 61.292 62.300 0.051 0.000 1.059 682 V CB 2.255 34.174 31.823 0.161 0.000 1.079 682 V HN 0.488 nan 8.190 nan 0.000 0.446 683 N N 0.614 119.319 118.700 0.008 0.000 2.238 683 N HA 0.251 4.991 4.740 -0.000 0.000 0.302 683 N C -1.048 174.489 175.510 0.045 0.000 1.072 683 N CA -0.292 52.774 53.050 0.027 0.000 0.792 683 N CB 2.383 40.895 38.487 0.042 0.000 1.425 683 N HN 1.057 nan 8.380 nan 0.000 0.478 684 W N 2.647 123.900 121.300 -0.080 0.000 2.417 684 W HA -0.025 4.634 4.660 -0.000 0.000 0.332 684 W C -0.547 175.973 176.519 0.002 0.000 1.413 684 W CA 0.403 57.717 57.345 -0.051 0.000 1.299 684 W CB 0.272 29.695 29.460 -0.062 0.000 1.304 684 W HN 0.405 nan 8.180 nan 0.000 0.565 685 Q N 7.822 127.295 119.800 -0.544 0.000 2.337 685 Q HA 0.178 4.517 4.340 -0.000 0.000 0.255 685 Q C -1.830 173.887 176.000 -0.473 0.000 0.997 685 Q CA -1.598 53.994 55.803 -0.352 0.000 0.925 685 Q CB 1.033 29.604 28.738 -0.278 0.000 1.212 685 Q HN 0.205 nan 8.270 nan 0.000 0.436 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.165 63.100 0.108 0.000 0.800 686 P CB 0.000 31.811 31.700 0.184 0.000 0.726