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 2epn_1_B DATA FIRST_RESID 2 DATA SEQUENCE ATFLGLSSKQ EKALVRLDKY LNLGEIAVSL VXXXATSIKV EGRQGYYQVS DATA SEQUENCE YKQPHQLYRA LALLSAALRS GQDEVQIEEE AAYEDLAYMA DCSRNAVLNL DATA SEQUENCE SSAKKMIEVL ALMGYSTFEL YMEDTYEIEN QPYFGYFRGR YTVAELQEIE DATA SEQUENCE DYAADFDMSF VPCIQTLAHL SAFVKWGIKE VQELRDVEDI LLIGEEKVYD DATA SEQUENCE LIEGMFQTMA HLHTRKINIG MDEAHLVGLG RYLIKHGFQN RSLLMCQHLE DATA SEQUENCE RVLDIADKYG FNCQMWSDMF FKLMSADGQY DRDVEIPEET RVYLDRLKER DATA SEQUENCE VTLVYWDYYQ DSEEKYNRNF QNHHKISQDI AFAGGAWKWI GFTPHNHFSR DATA SEQUENCE LVAIEANKAC RKNQVKEVIV TGWGDNGGET SQFSVLPALQ IWAELAYRND DATA SEQUENCE LKKVSEHFLV STGLDFDDFM KIDLANLLPD LPDNLSGINP NRYVLYQDVL DATA SEQUENCE CPLLEQHIRP EKDKQHFASS AQQLGEISKR AGEYAYIFET QAQLNALLAL DATA SEQUENCE KISITSGIQK AYRNGDKEHL SALAEKDFPQ LYQMVEDFSD QFSRQWQQEN DATA SEQUENCE KIFGLDTIDI RFGGLLKRIK RAQERLEQFI SGQIDCVEEL EQEILPFNDF DATA SEQUENCE YKDQGLTATT ANQWHLIATA STIYTT 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.291 177.584 -0.488 0.000 1.274 2 A CA 0.000 51.852 52.037 -0.309 0.000 0.836 2 A CB 0.000 18.737 19.000 -0.439 0.000 0.831 3 T N 1.029 115.224 114.554 -0.599 0.000 2.824 3 T HA 0.704 5.061 4.350 0.010 0.000 0.282 3 T C -1.330 173.013 174.700 -0.594 0.000 0.993 3 T CA 0.075 61.919 62.100 -0.426 0.000 0.967 3 T CB 0.365 69.138 68.868 -0.159 0.000 0.960 3 T HN 0.403 nan 8.240 nan 0.000 0.441 4 F N 2.424 122.406 119.950 0.053 0.000 2.520 4 F HA 0.686 5.219 4.527 0.011 0.000 0.322 4 F C -0.490 175.337 175.800 0.046 0.000 1.103 4 F CA -1.198 56.831 58.000 0.047 0.000 0.926 4 F CB 1.269 40.297 39.000 0.047 0.000 1.154 4 F HN 0.235 nan 8.300 nan 0.000 0.453 5 L N 1.731 123.085 121.223 0.219 0.000 2.362 5 L HA 0.728 5.074 4.340 0.010 0.000 0.275 5 L C 0.610 177.552 176.870 0.119 0.000 0.998 5 L CA -0.340 54.585 54.840 0.143 0.000 0.820 5 L CB 1.833 43.966 42.059 0.124 0.000 1.270 5 L HN 0.850 nan 8.230 nan 0.000 0.415 6 G N 2.322 111.175 108.800 0.087 0.000 2.157 6 G HA2 -0.201 3.765 3.960 0.010 0.000 0.248 6 G HA3 -0.201 3.765 3.960 0.010 0.000 0.248 6 G C -0.003 174.928 174.900 0.052 0.000 0.979 6 G CA -0.305 44.828 45.100 0.056 0.000 0.650 6 G HN 0.387 nan 8.290 nan 0.000 0.529 7 L N 1.776 123.039 121.223 0.066 0.000 2.395 7 L HA 0.555 4.902 4.340 0.010 0.000 0.269 7 L C 1.508 178.399 176.870 0.034 0.000 1.133 7 L CA -0.127 54.739 54.840 0.044 0.000 0.812 7 L CB 1.279 43.350 42.059 0.021 0.000 1.125 7 L HN 0.426 nan 8.230 nan 0.000 0.452 8 S N 0.105 115.820 115.700 0.026 0.000 2.608 8 S HA 0.076 4.552 4.470 0.010 0.000 0.261 8 S C 1.226 175.826 174.600 0.001 0.000 1.314 8 S CA -0.191 58.018 58.200 0.015 0.000 0.992 8 S CB 1.340 64.548 63.200 0.013 0.000 0.935 8 S HN 0.742 nan 8.310 nan 0.000 0.564 9 S N 1.005 116.702 115.700 -0.005 0.000 2.370 9 S HA -0.241 4.236 4.470 0.010 0.000 0.226 9 S C 1.763 176.339 174.600 -0.039 0.000 1.033 9 S CA 1.290 59.481 58.200 -0.015 0.000 1.011 9 S CB -0.790 62.402 63.200 -0.014 0.000 0.852 9 S HN 0.844 nan 8.310 nan 0.000 0.457 10 K N 1.259 121.629 120.400 -0.049 0.000 2.032 10 K HA -0.210 4.116 4.320 0.010 0.000 0.209 10 K C 2.477 179.020 176.600 -0.094 0.000 1.048 10 K CA 1.781 58.016 56.287 -0.087 0.000 0.927 10 K CB -0.308 32.144 32.500 -0.080 0.000 0.712 10 K HN 0.540 nan 8.250 nan 0.000 0.441 11 Q N 0.045 119.822 119.800 -0.038 0.000 2.124 11 Q HA -0.141 4.205 4.340 0.010 0.000 0.202 11 Q C 2.024 177.989 176.000 -0.059 0.000 0.977 11 Q CA 1.321 57.125 55.803 0.001 0.000 0.850 11 Q CB 0.064 28.807 28.738 0.009 0.000 0.901 11 Q HN 0.368 nan 8.270 nan 0.000 0.429 12 E N 1.043 121.204 120.200 -0.066 0.000 2.085 12 E HA -0.189 4.167 4.350 0.010 0.000 0.194 12 E C 1.823 178.375 176.600 -0.080 0.000 0.994 12 E CA 1.072 57.427 56.400 -0.074 0.000 0.801 12 E CB -0.040 29.652 29.700 -0.013 0.000 0.743 12 E HN 0.350 nan 8.360 nan 0.000 0.453 13 K N 0.525 120.870 120.400 -0.091 0.000 2.057 13 K HA -0.062 4.264 4.320 0.010 0.000 0.206 13 K C 2.217 178.724 176.600 -0.155 0.000 1.050 13 K CA 1.037 57.259 56.287 -0.107 0.000 0.935 13 K CB -0.121 32.299 32.500 -0.133 0.000 0.715 13 K HN 0.028 nan 8.250 nan 0.000 0.439 14 A N 1.593 124.270 122.820 -0.238 0.000 1.902 14 A HA -0.137 4.189 4.320 0.010 0.000 0.217 14 A C 2.069 179.611 177.584 -0.069 0.000 1.181 14 A CA 1.061 52.906 52.037 -0.319 0.000 0.623 14 A CB -0.463 18.243 19.000 -0.489 0.000 0.818 14 A HN 0.102 nan 8.150 nan 0.000 0.443 15 L N -0.157 121.024 121.223 -0.071 0.000 2.042 15 L HA -0.157 4.189 4.340 0.010 0.000 0.210 15 L C 2.663 179.534 176.870 0.003 0.000 1.076 15 L CA 1.586 56.359 54.840 -0.111 0.000 0.749 15 L CB -1.255 40.484 42.059 -0.533 0.000 0.893 15 L HN 0.268 nan 8.230 nan 0.000 0.432 16 V N -0.179 119.740 119.914 0.008 0.000 2.287 16 V HA -0.291 3.835 4.120 0.010 0.000 0.248 16 V C 2.656 178.800 176.094 0.084 0.000 1.053 16 V CA 1.651 63.989 62.300 0.063 0.000 1.027 16 V CB -0.536 31.313 31.823 0.043 0.000 0.646 16 V HN 0.433 nan 8.190 nan 0.000 0.447 17 R N -0.535 120.015 120.500 0.083 0.000 2.148 17 R HA 0.011 4.358 4.340 0.010 0.000 0.227 17 R C 1.963 178.403 176.300 0.233 0.000 1.103 17 R CA 1.041 57.234 56.100 0.155 0.000 0.983 17 R CB -0.190 30.226 30.300 0.193 0.000 0.874 17 R HN 0.430 nan 8.270 nan 0.000 0.451 18 L N -0.107 121.249 121.223 0.221 0.000 2.592 18 L HA 0.035 4.382 4.340 0.010 0.000 0.227 18 L C 1.419 178.459 176.870 0.283 0.000 1.127 18 L CA 0.128 55.149 54.840 0.302 0.000 0.884 18 L CB -0.059 42.099 42.059 0.165 0.000 1.065 18 L HN 0.111 nan 8.230 nan 0.000 0.457 19 D N 1.559 122.074 120.400 0.191 0.000 2.149 19 D HA -0.259 4.387 4.640 0.010 0.000 0.198 19 D C 2.130 178.499 176.300 0.114 0.000 0.990 19 D CA 1.514 55.609 54.000 0.159 0.000 0.839 19 D CB 0.227 41.108 40.800 0.134 0.000 0.948 19 D HN 0.362 nan 8.370 nan 0.000 0.460 20 K N -1.185 119.250 120.400 0.058 0.000 2.280 20 K HA -0.187 4.139 4.320 0.010 0.000 0.202 20 K C 1.365 177.885 176.600 -0.134 0.000 1.047 20 K CA 1.192 57.429 56.287 -0.084 0.000 0.942 20 K CB -0.388 31.986 32.500 -0.210 0.000 0.739 20 K HN 0.325 nan 8.250 nan 0.000 0.457 21 Y N 0.971 121.284 120.300 0.021 0.000 2.301 21 Y HA 0.157 4.713 4.550 0.010 0.000 0.295 21 Y C 2.108 178.023 175.900 0.024 0.000 1.126 21 Y CA 0.229 58.337 58.100 0.013 0.000 1.154 21 Y CB -0.023 38.436 38.460 -0.002 0.000 1.075 21 Y HN -0.153 nan 8.280 nan 0.000 0.534 22 L N -0.426 120.930 121.223 0.223 0.000 2.131 22 L HA -0.120 4.227 4.340 0.010 0.000 0.206 22 L C 0.247 177.181 176.870 0.106 0.000 1.087 22 L CA 0.706 55.634 54.840 0.147 0.000 0.767 22 L CB -0.480 41.672 42.059 0.156 0.000 0.917 22 L HN 0.279 nan 8.230 nan 0.000 0.441 23 N N 0.432 119.193 118.700 0.101 0.000 2.716 23 N HA -0.217 4.529 4.740 0.010 0.000 0.250 23 N C 0.775 176.322 175.510 0.062 0.000 1.033 23 N CA 0.551 53.644 53.050 0.070 0.000 0.727 23 N CB -1.423 37.094 38.487 0.051 0.000 0.950 23 N HN 0.350 nan 8.380 nan 0.000 0.541 24 L N -0.743 120.529 121.223 0.081 0.000 2.275 24 L HA -0.050 4.296 4.340 0.010 0.000 0.215 24 L C 1.906 178.795 176.870 0.032 0.000 1.119 24 L CA 1.180 56.053 54.840 0.055 0.000 0.790 24 L CB -0.565 41.549 42.059 0.093 0.000 0.919 24 L HN 0.595 nan 8.230 nan 0.000 0.443 25 G N 0.697 109.518 108.800 0.035 0.000 2.552 25 G HA2 -0.319 3.647 3.960 0.010 0.000 0.265 25 G HA3 -0.319 3.647 3.960 0.010 0.000 0.265 25 G C -0.024 174.876 174.900 0.001 0.000 1.234 25 G CA -0.072 45.040 45.100 0.021 0.000 0.944 25 G HN 0.401 nan 8.290 nan 0.000 0.568 26 E N 1.103 121.308 120.200 0.008 0.000 2.122 26 E HA 0.432 4.788 4.350 0.010 0.000 0.288 26 E C 0.587 177.193 176.600 0.011 0.000 1.260 26 E CA 0.194 56.593 56.400 -0.002 0.000 1.344 26 E CB -0.283 29.422 29.700 0.007 0.000 1.337 26 E HN 0.633 nan 8.360 nan 0.000 0.484 27 I N -2.832 117.733 120.570 -0.008 0.000 3.042 27 I HA 0.804 4.980 4.170 0.010 0.000 0.310 27 I C -0.837 175.254 176.117 -0.044 0.000 1.117 27 I CA -1.487 59.836 61.300 0.038 0.000 1.003 27 I CB 2.020 40.104 38.000 0.140 0.000 1.228 27 I HN -0.023 nan 8.210 nan 0.000 0.443 28 A N 3.560 126.391 122.820 0.018 0.000 2.304 28 A HA 0.786 5.112 4.320 0.010 0.000 0.323 28 A C -0.771 176.786 177.584 -0.045 0.000 1.195 28 A CA -0.588 51.435 52.037 -0.023 0.000 0.826 28 A CB 1.275 20.352 19.000 0.128 0.000 1.184 28 A HN 0.554 nan 8.150 nan 0.000 0.496 29 V N 1.875 121.741 119.914 -0.080 0.000 2.487 29 V HA 0.614 4.740 4.120 0.010 0.000 0.298 29 V C 0.156 176.274 176.094 0.041 0.000 1.028 29 V CA -0.430 61.872 62.300 0.003 0.000 0.860 29 V CB 1.770 33.714 31.823 0.201 0.000 0.991 29 V HN 0.893 nan 8.190 nan 0.000 0.427 30 S N 4.559 120.215 115.700 -0.073 0.000 2.478 30 S HA 0.648 5.125 4.470 0.010 0.000 0.312 30 S C -0.963 173.637 174.600 -0.001 0.000 1.094 30 S CA -0.529 57.674 58.200 0.004 0.000 1.081 30 S CB 1.124 64.342 63.200 0.029 0.000 1.007 30 S HN 0.633 nan 8.310 nan 0.000 0.475 31 L N 8.128 129.367 121.223 0.026 0.000 2.260 31 L HA 0.630 4.977 4.340 0.010 0.000 0.289 31 L C -0.139 176.698 176.870 -0.056 0.000 1.057 31 L CA -0.108 54.717 54.840 -0.025 0.000 0.811 31 L CB 0.748 42.805 42.059 -0.004 0.000 1.184 31 L HN 0.538 nan 8.230 nan 0.000 0.429 37 T N -2.642 111.909 114.554 -0.004 0.000 2.883 37 T HA 0.607 4.963 4.350 0.010 0.000 0.296 37 T C 0.871 175.582 174.700 0.019 0.000 1.117 37 T CA 0.460 62.563 62.100 0.005 0.000 1.006 37 T CB 1.576 70.449 68.868 0.008 0.000 1.191 37 T HN 0.189 nan 8.240 nan 0.000 0.508 38 S N 0.441 116.159 115.700 0.031 0.000 2.365 38 S HA 0.035 4.511 4.470 0.010 0.000 0.225 38 S C 0.689 175.342 174.600 0.089 0.000 1.039 38 S CA 1.061 59.300 58.200 0.065 0.000 1.033 38 S CB -0.568 62.679 63.200 0.078 0.000 0.887 38 S HN 0.653 nan 8.310 nan 0.000 0.447 39 I N 0.245 120.863 120.570 0.080 0.000 2.619 39 I HA 0.416 4.593 4.170 0.010 0.000 0.292 39 I C -0.622 175.511 176.117 0.027 0.000 1.100 39 I CA -0.554 60.779 61.300 0.054 0.000 1.043 39 I CB 2.385 40.412 38.000 0.044 0.000 1.239 39 I HN -0.078 nan 8.210 nan 0.000 0.420 40 K N 5.052 125.456 120.400 0.007 0.000 2.482 40 K HA 0.763 5.089 4.320 0.010 0.000 0.251 40 K C -1.974 174.626 176.600 -0.000 0.000 0.936 40 K CA -0.526 55.763 56.287 0.003 0.000 0.791 40 K CB 2.476 34.974 32.500 -0.003 0.000 1.213 40 K HN 0.381 nan 8.250 nan 0.000 0.428 41 V N 3.125 123.045 119.914 0.010 0.000 2.531 41 V HA 0.466 4.593 4.120 0.010 0.000 0.301 41 V C -1.028 175.100 176.094 0.057 0.000 1.034 41 V CA -0.679 61.634 62.300 0.022 0.000 0.865 41 V CB 1.624 33.447 31.823 -0.000 0.000 0.995 41 V HN 0.882 nan 8.190 nan 0.000 0.424 42 E N 2.486 122.738 120.200 0.087 0.000 2.311 42 E HA 0.690 5.046 4.350 0.010 0.000 0.281 42 E C -0.383 176.291 176.600 0.124 0.000 0.905 42 E CA -0.106 56.356 56.400 0.103 0.000 0.778 42 E CB 2.154 31.886 29.700 0.055 0.000 1.240 42 E HN 0.995 nan 8.360 nan 0.000 0.410 43 G N 2.646 111.540 108.800 0.156 0.000 2.321 43 G HA2 0.493 4.460 3.960 0.010 0.000 0.296 43 G HA3 0.493 4.460 3.960 0.010 0.000 0.296 43 G C -1.644 173.174 174.900 -0.137 0.000 1.287 43 G CA -0.537 44.505 45.100 -0.096 0.000 0.846 43 G HN 0.639 nan 8.290 nan 0.000 0.508 44 R N -1.922 118.321 120.500 -0.429 0.000 2.728 44 R HA 0.606 4.952 4.340 0.010 0.000 0.274 44 R C -0.750 175.394 176.300 -0.259 0.000 1.032 44 R CA -0.775 55.202 56.100 -0.205 0.000 0.866 44 R CB 0.544 30.823 30.300 -0.036 0.000 1.263 44 R HN 0.586 nan 8.270 nan 0.000 0.475 45 Q N -0.158 119.599 119.800 -0.071 0.000 2.451 45 Q HA -0.211 4.135 4.340 0.010 0.000 0.305 45 Q C 0.664 176.638 176.000 -0.043 0.000 1.345 45 Q CA 1.676 57.462 55.803 -0.029 0.000 0.854 45 Q CB -1.719 27.000 28.738 -0.031 0.000 1.162 45 Q HN 1.372 nan 8.270 nan 0.000 0.440 46 G N -0.610 108.183 108.800 -0.013 0.000 2.155 46 G HA2 -0.369 3.597 3.960 0.010 0.000 0.257 46 G HA3 -0.369 3.597 3.960 0.010 0.000 0.257 46 G C -0.395 174.504 174.900 -0.001 0.000 0.983 46 G CA 0.647 45.795 45.100 0.081 0.000 0.676 46 G HN 0.582 nan 8.290 nan 0.000 0.528 47 Y N -0.096 119.916 120.300 -0.480 0.000 2.346 47 Y HA 0.670 5.227 4.550 0.011 0.000 0.332 47 Y C -0.863 174.595 175.900 -0.736 0.000 0.985 47 Y CA -1.572 56.297 58.100 -0.384 0.000 1.112 47 Y CB 1.244 39.564 38.460 -0.233 0.000 1.170 47 Y HN 0.137 nan 8.280 nan 0.000 0.447 48 Y N 3.618 123.532 120.300 -0.644 0.000 2.457 48 Y HA 0.445 5.001 4.550 0.010 0.000 0.343 48 Y C -0.639 174.923 175.900 -0.564 0.000 0.994 48 Y CA -1.066 56.766 58.100 -0.446 0.000 1.031 48 Y CB 2.186 40.534 38.460 -0.188 0.000 1.246 48 Y HN 0.476 nan 8.280 nan 0.000 0.449 49 Q N 2.644 122.310 119.800 -0.223 0.000 2.256 49 Q HA 0.701 5.047 4.340 0.010 0.000 0.257 49 Q C -0.931 175.044 176.000 -0.041 0.000 0.936 49 Q CA -1.142 54.574 55.803 -0.145 0.000 0.903 49 Q CB 2.750 31.446 28.738 -0.069 0.000 1.263 49 Q HN 0.591 nan 8.270 nan 0.000 0.440 50 V N -1.027 118.862 119.914 -0.041 0.000 2.823 50 V HA 0.933 5.059 4.120 0.010 0.000 0.312 50 V C -0.586 175.461 176.094 -0.078 0.000 1.072 50 V CA -0.650 61.630 62.300 -0.032 0.000 0.937 50 V CB 1.903 33.721 31.823 -0.008 0.000 1.013 50 V HN 0.865 nan 8.190 nan 0.000 0.430 51 S N 2.594 118.241 115.700 -0.088 0.000 2.579 51 S HA 0.915 5.391 4.470 0.010 0.000 0.272 51 S C -1.217 173.314 174.600 -0.115 0.000 1.141 51 S CA -0.670 57.409 58.200 -0.202 0.000 0.843 51 S CB 1.860 64.956 63.200 -0.173 0.000 1.122 51 S HN 1.993 nan 8.310 nan 0.000 0.468 52 Y N -0.790 119.466 120.300 -0.074 0.000 2.609 52 Y HA 0.716 5.273 4.550 0.011 0.000 0.342 52 Y C 0.546 176.407 175.900 -0.064 0.000 1.058 52 Y CA -1.302 56.746 58.100 -0.086 0.000 1.055 52 Y CB 0.949 39.322 38.460 -0.144 0.000 1.292 52 Y HN 0.610 nan 8.280 nan 0.000 0.476 53 K N -0.039 120.486 120.400 0.208 0.000 2.141 53 K HA 0.171 4.497 4.320 0.010 0.000 0.202 53 K C -0.329 176.391 176.600 0.199 0.000 1.045 53 K CA 0.720 57.097 56.287 0.149 0.000 0.971 53 K CB 0.232 32.775 32.500 0.071 0.000 0.795 53 K HN 0.727 nan 8.250 nan 0.000 0.459 54 Q N 0.387 120.239 119.800 0.086 0.000 2.293 54 Q HA 0.161 4.508 4.340 0.010 0.000 0.261 54 Q C -2.243 173.517 176.000 -0.399 0.000 0.960 54 Q CA -2.131 53.643 55.803 -0.050 0.000 0.882 54 Q CB 1.669 30.381 28.738 -0.044 0.000 1.275 54 Q HN -0.107 nan 8.270 nan 0.000 0.445 55 P HA -0.261 nan 4.420 nan 0.000 0.217 55 P C 0.792 177.660 177.300 -0.720 0.000 1.151 55 P CA 1.702 64.268 63.100 -0.889 0.000 0.849 55 P CB 0.035 31.553 31.700 -0.303 0.000 0.787 56 H N -0.968 117.960 119.070 -0.237 0.000 2.489 56 H HA -0.055 4.508 4.556 0.011 0.000 0.293 56 H C 1.634 176.896 175.328 -0.110 0.000 1.066 56 H CA 1.095 57.130 56.048 -0.020 0.000 1.305 56 H CB -1.388 28.440 29.762 0.111 0.000 1.386 56 H HN 0.196 nan 8.280 nan 0.000 0.551 57 Q N 0.055 119.351 119.800 -0.841 0.000 2.437 57 Q HA -0.036 4.310 4.340 0.010 0.000 0.210 57 Q C 1.924 177.716 176.000 -0.348 0.000 0.972 57 Q CA 0.669 56.184 55.803 -0.480 0.000 0.903 57 Q CB -0.045 28.501 28.738 -0.320 0.000 0.967 57 Q HN 0.437 nan 8.270 nan 0.000 0.486 58 L N -0.211 120.663 121.223 -0.582 0.000 2.051 58 L HA -0.248 4.098 4.340 0.010 0.000 0.214 58 L C 1.524 178.078 176.870 -0.525 0.000 1.076 58 L CA 1.944 56.458 54.840 -0.544 0.000 0.758 58 L CB -0.488 41.026 42.059 -0.908 0.000 0.890 58 L HN 0.184 nan 8.230 nan 0.000 0.433 59 Y N -0.814 119.436 120.300 -0.084 0.000 2.337 59 Y HA -0.040 4.516 4.550 0.010 0.000 0.293 59 Y C 2.816 178.642 175.900 -0.123 0.000 1.123 59 Y CA 1.264 59.319 58.100 -0.075 0.000 1.201 59 Y CB -0.653 37.781 38.460 -0.042 0.000 1.011 59 Y HN 0.188 nan 8.280 nan 0.000 0.545 60 R N 0.562 121.017 120.500 -0.075 0.000 2.075 60 R HA -0.124 4.223 4.340 0.010 0.000 0.232 60 R C 2.382 178.557 176.300 -0.208 0.000 1.126 60 R CA 1.161 57.139 56.100 -0.204 0.000 0.963 60 R CB -0.400 29.665 30.300 -0.393 0.000 0.858 60 R HN 0.293 nan 8.270 nan 0.000 0.435 61 A N 1.146 123.865 122.820 -0.169 0.000 1.908 61 A HA -0.170 4.156 4.320 0.010 0.000 0.218 61 A C 2.170 179.696 177.584 -0.096 0.000 1.181 61 A CA 1.425 53.389 52.037 -0.121 0.000 0.627 61 A CB -0.593 18.364 19.000 -0.071 0.000 0.818 61 A HN 0.354 nan 8.150 nan 0.000 0.445 62 L N -0.936 120.245 121.223 -0.069 0.000 2.141 62 L HA -0.144 4.202 4.340 0.010 0.000 0.209 62 L C 3.056 179.906 176.870 -0.034 0.000 1.094 62 L CA 0.861 55.687 54.840 -0.022 0.000 0.763 62 L CB -0.539 41.541 42.059 0.036 0.000 0.908 62 L HN 0.427 nan 8.230 nan 0.000 0.437 63 A N 0.430 123.211 122.820 -0.065 0.000 1.908 63 A HA -0.175 4.152 4.320 0.010 0.000 0.218 63 A C 2.263 179.776 177.584 -0.118 0.000 1.181 63 A CA 1.510 53.496 52.037 -0.086 0.000 0.627 63 A CB -0.714 18.206 19.000 -0.134 0.000 0.818 63 A HN 0.361 nan 8.150 nan 0.000 0.445 64 L N -1.164 119.941 121.223 -0.196 0.000 2.046 64 L HA -0.175 4.171 4.340 0.010 0.000 0.208 64 L C 2.588 179.419 176.870 -0.065 0.000 1.077 64 L CA 1.258 55.993 54.840 -0.175 0.000 0.747 64 L CB -0.657 41.294 42.059 -0.180 0.000 0.896 64 L HN 0.472 nan 8.230 nan 0.000 0.432 65 L N -0.499 120.669 121.223 -0.093 0.000 1.994 65 L HA -0.204 4.143 4.340 0.010 0.000 0.208 65 L C 2.775 179.572 176.870 -0.122 0.000 1.071 65 L CA 2.051 56.805 54.840 -0.143 0.000 0.745 65 L CB -0.719 41.231 42.059 -0.180 0.000 0.892 65 L HN 0.174 nan 8.230 nan 0.000 0.431 66 S N -0.715 114.948 115.700 -0.062 0.000 2.365 66 S HA -0.249 4.228 4.470 0.010 0.000 0.225 66 S C 2.150 176.753 174.600 0.004 0.000 1.039 66 S CA 1.563 59.751 58.200 -0.020 0.000 1.033 66 S CB -0.598 62.615 63.200 0.023 0.000 0.887 66 S HN 0.689 nan 8.310 nan 0.000 0.447 67 A N 1.297 124.139 122.820 0.037 0.000 1.902 67 A HA 0.187 4.513 4.320 0.010 0.000 0.217 67 A C 2.492 180.105 177.584 0.048 0.000 1.181 67 A CA 1.945 54.032 52.037 0.084 0.000 0.623 67 A CB -1.429 17.701 19.000 0.216 0.000 0.818 67 A HN 0.794 nan 8.150 nan 0.000 0.443 68 A N -0.194 122.640 122.820 0.024 0.000 1.908 68 A HA -0.072 4.254 4.320 0.010 0.000 0.218 68 A C 2.185 179.759 177.584 -0.015 0.000 1.181 68 A CA 1.595 53.633 52.037 0.002 0.000 0.627 68 A CB -0.622 18.364 19.000 -0.022 0.000 0.818 68 A HN 0.483 nan 8.150 nan 0.000 0.445 69 L N -1.403 119.791 121.223 -0.048 0.000 2.056 69 L HA -0.117 4.229 4.340 0.010 0.000 0.207 69 L C 2.760 179.630 176.870 -0.001 0.000 1.078 69 L CA 1.642 56.459 54.840 -0.039 0.000 0.749 69 L CB -0.450 41.563 42.059 -0.077 0.000 0.901 69 L HN 0.431 nan 8.230 nan 0.000 0.433 70 R N -0.017 120.488 120.500 0.009 0.000 2.152 70 R HA -0.101 4.245 4.340 0.010 0.000 0.232 70 R C 2.012 178.327 176.300 0.025 0.000 1.117 70 R CA 1.278 57.392 56.100 0.023 0.000 0.981 70 R CB 0.011 30.332 30.300 0.036 0.000 0.870 70 R HN 0.203 nan 8.270 nan 0.000 0.451 71 S N -0.825 114.888 115.700 0.022 0.000 2.607 71 S HA 0.126 4.603 4.470 0.010 0.000 0.224 71 S C 1.035 175.646 174.600 0.020 0.000 0.969 71 S CA 0.677 58.889 58.200 0.020 0.000 0.927 71 S CB 0.795 64.004 63.200 0.015 0.000 0.772 71 S HN 0.703 nan 8.310 nan 0.000 0.533 72 G N 1.173 109.986 108.800 0.021 0.000 2.159 72 G HA2 -0.214 3.752 3.960 0.010 0.000 0.227 72 G HA3 -0.214 3.752 3.960 0.010 0.000 0.227 72 G C -0.184 174.735 174.900 0.032 0.000 0.986 72 G CA -0.483 44.633 45.100 0.026 0.000 0.651 72 G HN 0.501 nan 8.290 nan 0.000 0.523 73 Q N -0.244 119.574 119.800 0.031 0.000 2.352 73 Q HA 0.443 4.789 4.340 0.010 0.000 0.260 73 Q C 0.932 176.974 176.000 0.070 0.000 0.976 73 Q CA 0.597 56.427 55.803 0.045 0.000 0.881 73 Q CB 1.170 29.931 28.738 0.039 0.000 1.235 73 Q HN 0.389 nan 8.270 nan 0.000 0.419 74 D N 1.217 121.674 120.400 0.095 0.000 2.652 74 D HA -0.063 4.583 4.640 0.010 0.000 0.261 74 D C -0.255 176.174 176.300 0.214 0.000 1.024 74 D CA 0.151 54.239 54.000 0.147 0.000 0.958 74 D CB 0.491 41.352 40.800 0.101 0.000 1.113 74 D HN 0.515 nan 8.370 nan 0.000 0.471 75 E N 0.381 120.667 120.200 0.142 0.000 2.290 75 E HA 0.353 4.709 4.350 0.010 0.000 0.277 75 E C -1.334 175.361 176.600 0.158 0.000 1.035 75 E CA -0.337 56.151 56.400 0.146 0.000 0.873 75 E CB 1.004 30.753 29.700 0.081 0.000 1.029 75 E HN -0.073 nan 8.360 nan 0.000 0.419 76 V N 5.362 125.407 119.914 0.218 0.000 2.588 76 V HA 0.296 4.422 4.120 0.010 0.000 0.304 76 V C -0.906 175.263 176.094 0.126 0.000 1.042 76 V CA -0.693 61.697 62.300 0.151 0.000 0.877 76 V CB 1.680 33.574 31.823 0.118 0.000 0.996 76 V HN 0.785 nan 8.190 nan 0.000 0.425 77 Q N 5.290 125.136 119.800 0.077 0.000 2.650 77 Q HA 0.673 5.020 4.340 0.010 0.000 0.239 77 Q C -1.582 174.445 176.000 0.045 0.000 0.893 77 Q CA -0.428 55.410 55.803 0.060 0.000 0.755 77 Q CB 1.898 30.667 28.738 0.050 0.000 1.349 77 Q HN 0.651 nan 8.270 nan 0.000 0.461 78 I N 1.093 121.686 120.570 0.040 0.000 2.533 78 I HA 0.466 4.642 4.170 0.010 0.000 0.290 78 I C -0.542 175.592 176.117 0.028 0.000 1.056 78 I CA -0.677 60.644 61.300 0.034 0.000 1.057 78 I CB 2.382 40.400 38.000 0.031 0.000 1.240 78 I HN 0.506 nan 8.210 nan 0.000 0.423 79 E N 5.198 125.416 120.200 0.031 0.000 2.272 79 E HA 0.516 4.872 4.350 0.010 0.000 0.269 79 E C -1.383 175.242 176.600 0.041 0.000 0.877 79 E CA -0.762 55.656 56.400 0.029 0.000 0.755 79 E CB 2.896 32.609 29.700 0.021 0.000 1.192 79 E HN 0.515 nan 8.360 nan 0.000 0.422 80 E N 1.552 121.786 120.200 0.056 0.000 2.317 80 E HA 0.317 4.674 4.350 0.010 0.000 0.270 80 E C -1.194 175.445 176.600 0.065 0.000 0.885 80 E CA -0.842 55.608 56.400 0.084 0.000 0.760 80 E CB 2.307 32.108 29.700 0.168 0.000 1.227 80 E HN 0.179 nan 8.360 nan 0.000 0.434 81 E N 1.543 121.755 120.200 0.020 0.000 2.185 81 E HA 0.455 4.812 4.350 0.010 0.000 0.261 81 E C -1.476 175.050 176.600 -0.124 0.000 0.879 81 E CA -0.626 55.753 56.400 -0.035 0.000 0.756 81 E CB 1.340 31.014 29.700 -0.044 0.000 1.152 81 E HN 0.573 nan 8.360 nan 0.000 0.416 82 A N 3.514 126.203 122.820 -0.218 0.000 2.425 82 A HA 0.547 4.873 4.320 0.010 0.000 0.249 82 A C 1.046 178.397 177.584 -0.389 0.000 1.084 82 A CA 0.399 52.153 52.037 -0.470 0.000 0.781 82 A CB 0.698 19.279 19.000 -0.698 0.000 1.019 82 A HN 0.842 nan 8.150 nan 0.000 0.490 83 A N 1.974 124.460 122.820 -0.557 0.000 2.067 83 A HA 0.263 4.590 4.320 0.010 0.000 0.217 83 A C 0.274 177.432 177.584 -0.710 0.000 1.156 83 A CA 0.825 52.429 52.037 -0.721 0.000 0.683 83 A CB -0.191 18.148 19.000 -1.102 0.000 0.808 83 A HN 0.760 nan 8.150 nan 0.000 0.455 84 Y N -1.097 119.139 120.300 -0.107 0.000 2.409 84 Y HA 0.368 4.924 4.550 0.011 0.000 0.343 84 Y C 0.893 176.759 175.900 -0.057 0.000 0.973 84 Y CA -0.946 57.118 58.100 -0.059 0.000 1.064 84 Y CB 1.544 39.982 38.460 -0.037 0.000 1.207 84 Y HN 0.157 nan 8.280 nan 0.000 0.452 85 E N 0.978 121.259 120.200 0.134 0.000 2.106 85 E HA -0.100 4.256 4.350 0.010 0.000 0.192 85 E C -0.465 176.206 176.600 0.119 0.000 0.984 85 E CA 1.023 57.481 56.400 0.098 0.000 0.806 85 E CB 0.280 30.031 29.700 0.085 0.000 0.750 85 E HN 0.559 nan 8.360 nan 0.000 0.458 86 D N -0.060 120.412 120.400 0.120 0.000 2.780 86 D HA 0.327 4.973 4.640 0.010 0.000 0.242 86 D C -1.379 174.961 176.300 0.066 0.000 1.135 86 D CA -0.542 53.510 54.000 0.085 0.000 0.859 86 D CB 2.469 43.302 40.800 0.055 0.000 1.530 86 D HN -0.113 nan 8.370 nan 0.000 0.493 87 L N 1.951 123.203 121.223 0.048 0.000 2.404 87 L HA 0.690 5.036 4.340 0.010 0.000 0.272 87 L C -1.396 175.560 176.870 0.143 0.000 0.980 87 L CA -0.400 54.441 54.840 0.001 0.000 0.836 87 L CB 1.476 43.473 42.059 -0.103 0.000 1.238 87 L HN 0.442 nan 8.230 nan 0.000 0.408 88 A N 3.940 126.874 122.820 0.190 0.000 2.356 88 A HA 0.705 5.031 4.320 0.010 0.000 0.323 88 A C -1.983 175.817 177.584 0.360 0.000 1.119 88 A CA -0.466 51.729 52.037 0.262 0.000 0.790 88 A CB 1.101 20.129 19.000 0.046 0.000 1.273 88 A HN 0.672 nan 8.150 nan 0.000 0.452 89 Y N 1.961 122.320 120.300 0.097 0.000 2.341 89 Y HA 0.605 5.162 4.550 0.011 0.000 0.338 89 Y C -0.402 175.433 175.900 -0.107 0.000 0.965 89 Y CA -1.228 56.826 58.100 -0.077 0.000 1.108 89 Y CB 1.584 39.889 38.460 -0.259 0.000 1.180 89 Y HN 0.666 nan 8.280 nan 0.000 0.458 90 M N 6.593 125.640 119.600 -0.921 0.000 2.072 90 M HA 0.694 5.180 4.480 0.010 0.000 0.331 90 M C -1.254 174.295 176.300 -1.252 0.000 1.004 90 M CA -0.609 54.125 55.300 -0.943 0.000 0.952 90 M CB 0.601 32.807 32.600 -0.658 0.000 1.511 90 M HN 0.885 nan 8.290 nan 0.000 0.422 91 A N 3.729 125.950 122.820 -1.000 0.000 2.309 91 A HA 0.342 4.669 4.320 0.010 0.000 0.298 91 A C -0.554 176.829 177.584 -0.336 0.000 1.165 91 A CA -0.545 51.150 52.037 -0.570 0.000 0.821 91 A CB 0.476 19.351 19.000 -0.207 0.000 1.102 91 A HN 0.786 nan 8.150 nan 0.000 0.500 92 D N 1.225 121.499 120.400 -0.209 0.000 2.348 92 D HA 0.236 4.882 4.640 0.010 0.000 0.253 92 D C -0.077 176.252 176.300 0.050 0.000 1.161 92 D CA -0.016 53.981 54.000 -0.004 0.000 0.876 92 D CB 0.785 41.626 40.800 0.068 0.000 1.160 92 D HN 0.357 nan 8.370 nan 0.000 0.459 93 C N 2.494 121.850 119.300 0.093 0.000 2.976 93 C HA 0.242 4.708 4.460 0.010 0.000 0.274 93 C C 1.442 176.451 174.990 0.031 0.000 1.487 93 C CA -0.347 58.709 59.018 0.064 0.000 1.789 93 C CB -0.757 27.067 27.740 0.141 0.000 2.771 93 C HN 0.529 nan 8.230 nan 0.000 0.551 94 S N 0.063 115.810 115.700 0.079 0.000 2.632 94 S HA 0.100 4.577 4.470 0.010 0.000 0.237 94 S C 1.294 175.948 174.600 0.089 0.000 1.037 94 S CA -0.069 58.152 58.200 0.034 0.000 1.009 94 S CB 0.162 63.333 63.200 -0.048 0.000 0.974 94 S HN 0.352 nan 8.310 nan 0.000 0.544 95 R N 2.171 122.747 120.500 0.127 0.000 2.480 95 R HA 0.405 4.751 4.340 0.010 0.000 0.277 95 R C 0.303 176.689 176.300 0.144 0.000 1.008 95 R CA -0.139 56.037 56.100 0.126 0.000 1.090 95 R CB -1.166 29.217 30.300 0.139 0.000 1.234 95 R HN 0.485 nan 8.270 nan 0.000 0.549 96 N N -2.693 116.099 118.700 0.152 0.000 3.005 96 N HA -0.159 4.587 4.740 0.010 0.000 0.170 96 N C -0.384 175.344 175.510 0.363 0.000 1.356 96 N CA 0.636 53.835 53.050 0.247 0.000 1.242 96 N CB -0.887 37.761 38.487 0.269 0.000 1.010 96 N HN 0.197 nan 8.380 nan 0.000 0.597 97 A N 1.844 124.776 122.820 0.187 0.000 2.294 97 A HA 0.582 4.908 4.320 0.010 0.000 0.316 97 A C 0.031 177.544 177.584 -0.119 0.000 1.359 97 A CA -0.096 51.836 52.037 -0.175 0.000 0.956 97 A CB 0.471 19.243 19.000 -0.380 0.000 1.155 97 A HN 0.061 nan 8.150 nan 0.000 0.544 98 V N 4.696 124.543 119.914 -0.112 0.000 2.333 98 V HA 0.150 4.276 4.120 0.010 0.000 0.274 98 V C 0.224 176.271 176.094 -0.080 0.000 1.028 98 V CA -0.576 61.657 62.300 -0.112 0.000 0.851 98 V CB 0.849 32.539 31.823 -0.223 0.000 1.000 98 V HN 0.829 nan 8.190 nan 0.000 0.456 99 L N 6.438 127.683 121.223 0.037 0.000 2.559 99 L HA 0.142 4.489 4.340 0.010 0.000 0.274 99 L C 0.646 177.612 176.870 0.159 0.000 1.205 99 L CA 0.480 55.369 54.840 0.081 0.000 0.907 99 L CB 0.239 42.394 42.059 0.159 0.000 1.153 99 L HN 0.910 nan 8.230 nan 0.000 0.490 100 N N 3.946 122.699 118.700 0.088 0.000 2.445 100 N HA 0.138 4.885 4.740 0.010 0.000 0.264 100 N C 0.773 176.352 175.510 0.114 0.000 1.227 100 N CA -0.409 52.704 53.050 0.106 0.000 0.963 100 N CB 0.389 38.904 38.487 0.047 0.000 1.188 100 N HN 0.625 nan 8.380 nan 0.000 0.491 101 L N -0.646 120.631 121.223 0.089 0.000 2.046 101 L HA -0.157 4.189 4.340 0.010 0.000 0.208 101 L C 2.445 179.302 176.870 -0.021 0.000 1.077 101 L CA 1.431 56.291 54.840 0.035 0.000 0.747 101 L CB -0.602 41.463 42.059 0.009 0.000 0.896 101 L HN 0.764 nan 8.230 nan 0.000 0.432 102 S N -0.713 114.976 115.700 -0.020 0.000 2.368 102 S HA -0.185 4.291 4.470 0.010 0.000 0.225 102 S C 2.182 176.783 174.600 0.002 0.000 1.030 102 S CA 1.858 60.029 58.200 -0.048 0.000 0.999 102 S CB -0.072 63.100 63.200 -0.046 0.000 0.844 102 S HN 0.410 nan 8.310 nan 0.000 0.459 103 S N 1.246 116.999 115.700 0.089 0.000 2.383 103 S HA 0.102 4.578 4.470 0.010 0.000 0.227 103 S C 2.200 176.933 174.600 0.221 0.000 1.026 103 S CA 0.887 59.242 58.200 0.259 0.000 0.981 103 S CB -0.589 62.809 63.200 0.329 0.000 0.818 103 S HN 0.690 nan 8.310 nan 0.000 0.472 104 A N 2.027 124.914 122.820 0.112 0.000 1.902 104 A HA -0.146 4.180 4.320 0.010 0.000 0.217 104 A C 2.057 179.598 177.584 -0.071 0.000 1.181 104 A CA 1.485 53.559 52.037 0.061 0.000 0.623 104 A CB -0.424 18.658 19.000 0.137 0.000 0.818 104 A HN 0.433 nan 8.150 nan 0.000 0.443 105 K N -0.384 119.943 120.400 -0.122 0.000 2.026 105 K HA -0.172 4.154 4.320 0.010 0.000 0.208 105 K C 2.252 178.822 176.600 -0.049 0.000 1.048 105 K CA 1.652 57.763 56.287 -0.293 0.000 0.929 105 K CB -0.180 31.888 32.500 -0.719 0.000 0.713 105 K HN 0.531 nan 8.250 nan 0.000 0.439 106 K N 0.911 121.321 120.400 0.017 0.000 2.032 106 K HA -0.213 4.114 4.320 0.010 0.000 0.209 106 K C 2.260 178.952 176.600 0.153 0.000 1.048 106 K CA 1.640 57.996 56.287 0.115 0.000 0.927 106 K CB -0.096 32.472 32.500 0.113 0.000 0.712 106 K HN -0.030 nan 8.250 nan 0.000 0.441 107 M N 1.231 120.944 119.600 0.187 0.000 2.108 107 M HA -0.109 4.377 4.480 0.010 0.000 0.261 107 M C 1.717 177.882 176.300 -0.225 0.000 1.066 107 M CA 1.528 56.854 55.300 0.042 0.000 1.107 107 M CB -0.183 32.348 32.600 -0.115 0.000 1.356 107 M HN 0.266 nan 8.290 nan 0.000 0.406 108 I N -0.120 120.257 120.570 -0.322 0.000 2.226 108 I HA -0.310 3.866 4.170 0.010 0.000 0.245 108 I C 2.125 177.984 176.117 -0.430 0.000 1.100 108 I CA 1.554 62.638 61.300 -0.361 0.000 1.374 108 I CB -0.518 37.392 38.000 -0.150 0.000 1.057 108 I HN 0.393 nan 8.210 nan 0.000 0.413 109 E N 0.134 120.102 120.200 -0.386 0.000 2.070 109 E HA -0.220 4.136 4.350 0.010 0.000 0.197 109 E C 2.300 178.524 176.600 -0.626 0.000 1.004 109 E CA 1.658 57.654 56.400 -0.673 0.000 0.805 109 E CB -0.148 29.372 29.700 -0.300 0.000 0.744 109 E HN 0.295 nan 8.360 nan 0.000 0.451 110 V N 1.374 121.066 119.914 -0.370 0.000 2.307 110 V HA -0.247 3.880 4.120 0.010 0.000 0.245 110 V C 2.316 178.267 176.094 -0.238 0.000 1.045 110 V CA 1.450 63.575 62.300 -0.291 0.000 1.024 110 V CB -0.429 31.344 31.823 -0.084 0.000 0.651 110 V HN 0.270 nan 8.190 nan 0.000 0.449 111 L N 0.024 121.109 121.223 -0.230 0.000 2.046 111 L HA -0.180 4.167 4.340 0.010 0.000 0.208 111 L C 2.750 179.614 176.870 -0.011 0.000 1.077 111 L CA 1.561 56.321 54.840 -0.133 0.000 0.747 111 L CB -0.834 41.099 42.059 -0.210 0.000 0.896 111 L HN 0.378 nan 8.230 nan 0.000 0.432 112 A N 0.293 123.001 122.820 -0.187 0.000 1.883 112 A HA -0.191 4.135 4.320 0.010 0.000 0.217 112 A C 2.227 179.784 177.584 -0.045 0.000 1.186 112 A CA 1.551 53.514 52.037 -0.124 0.000 0.624 112 A CB -0.755 17.956 19.000 -0.482 0.000 0.822 112 A HN 0.368 nan 8.150 nan 0.000 0.444 113 L N -1.223 119.886 121.223 -0.189 0.000 2.131 113 L HA -0.160 4.186 4.340 0.010 0.000 0.210 113 L C 2.726 179.541 176.870 -0.091 0.000 1.092 113 L CA 1.273 56.025 54.840 -0.147 0.000 0.759 113 L CB -0.386 41.511 42.059 -0.271 0.000 0.903 113 L HN 0.424 nan 8.230 nan 0.000 0.435 114 M N -1.393 118.197 119.600 -0.016 0.000 2.349 114 M HA 0.070 4.557 4.480 0.010 0.000 0.266 114 M C 1.433 177.726 176.300 -0.011 0.000 1.076 114 M CA 1.208 56.541 55.300 0.054 0.000 1.126 114 M CB 0.105 32.858 32.600 0.255 0.000 1.392 114 M HN 0.420 nan 8.290 nan 0.000 0.440 115 G N -0.791 108.045 108.800 0.060 0.000 2.183 115 G HA2 -0.187 3.779 3.960 0.010 0.000 0.168 115 G HA3 -0.187 3.779 3.960 0.010 0.000 0.168 115 G C -0.400 174.670 174.900 0.283 0.000 1.008 115 G CA -0.787 44.335 45.100 0.037 0.000 0.677 115 G HN 0.311 nan 8.290 nan 0.000 0.498 116 Y N 1.779 122.182 120.300 0.171 0.000 2.411 116 Y HA 0.355 4.911 4.550 0.010 0.000 0.333 116 Y C 1.962 177.776 175.900 -0.144 0.000 1.186 116 Y CA 0.739 58.901 58.100 0.103 0.000 1.381 116 Y CB 1.407 39.921 38.460 0.091 0.000 1.273 116 Y HN 0.240 nan 8.280 nan 0.000 0.546 117 S N -0.570 115.026 115.700 -0.174 0.000 2.503 117 S HA 0.168 4.644 4.470 0.010 0.000 0.217 117 S C 0.316 174.822 174.600 -0.158 0.000 0.999 117 S CA 0.257 58.094 58.200 -0.604 0.000 0.914 117 S CB 0.054 63.039 63.200 -0.359 0.000 0.782 117 S HN 0.592 nan 8.310 nan 0.000 0.520 118 T N 1.710 116.299 114.554 0.058 0.000 2.993 118 T HA 0.543 4.899 4.350 0.010 0.000 0.312 118 T C -1.968 172.877 174.700 0.242 0.000 1.115 118 T CA -0.467 61.705 62.100 0.121 0.000 1.027 118 T CB 1.634 70.535 68.868 0.055 0.000 1.116 118 T HN 0.220 nan 8.240 nan 0.000 0.464 119 F N 2.603 122.593 119.950 0.066 0.000 2.495 119 F HA 0.659 5.193 4.527 0.011 0.000 0.327 119 F C -0.365 175.404 175.800 -0.053 0.000 1.103 119 F CA -1.124 56.915 58.000 0.066 0.000 0.949 119 F CB 1.273 40.377 39.000 0.172 0.000 1.142 119 F HN 0.541 nan 8.300 nan 0.000 0.457 120 E N 6.186 125.968 120.200 -0.697 0.000 2.317 120 E HA 0.558 4.914 4.350 0.010 0.000 0.270 120 E C -1.563 174.493 176.600 -0.907 0.000 0.885 120 E CA -0.947 54.971 56.400 -0.802 0.000 0.760 120 E CB 3.098 32.478 29.700 -0.534 0.000 1.227 120 E HN 0.521 nan 8.360 nan 0.000 0.434 121 L N 2.282 123.106 121.223 -0.664 0.000 2.385 121 L HA 0.409 4.756 4.340 0.010 0.000 0.273 121 L C -1.113 175.630 176.870 -0.213 0.000 0.990 121 L CA -1.088 53.521 54.840 -0.386 0.000 0.821 121 L CB 1.472 43.422 42.059 -0.182 0.000 1.279 121 L HN 0.591 nan 8.230 nan 0.000 0.412 122 Y N 4.518 124.665 120.300 -0.255 0.000 2.404 122 Y HA 0.541 5.098 4.550 0.011 0.000 0.344 122 Y C -0.526 175.364 175.900 -0.017 0.000 0.970 122 Y CA -0.493 57.519 58.100 -0.147 0.000 1.180 122 Y CB 0.833 39.175 38.460 -0.197 0.000 1.138 122 Y HN 0.515 nan 8.280 nan 0.000 0.510 123 M N 6.412 125.773 119.600 -0.399 0.000 2.022 123 M HA 0.247 4.734 4.480 0.010 0.000 0.298 123 M C 0.330 176.503 176.300 -0.212 0.000 0.909 123 M CA -0.185 55.002 55.300 -0.188 0.000 0.914 123 M CB 1.721 34.414 32.600 0.155 0.000 1.486 123 M HN 0.699 nan 8.290 nan 0.000 0.415 124 E N 1.721 121.685 120.200 -0.394 0.000 2.008 124 E HA -0.158 4.198 4.350 0.010 0.000 0.191 124 E C 0.762 177.205 176.600 -0.263 0.000 0.986 124 E CA 1.484 57.728 56.400 -0.260 0.000 0.807 124 E CB 0.275 29.846 29.700 -0.215 0.000 0.766 124 E HN 0.747 nan 8.360 nan 0.000 0.450 125 D N -0.667 119.445 120.400 -0.480 0.000 2.520 125 D HA -0.036 4.610 4.640 0.010 0.000 0.223 125 D C 0.418 176.226 176.300 -0.820 0.000 1.186 125 D CA 0.259 53.557 54.000 -1.170 0.000 0.821 125 D CB 0.179 40.393 40.800 -0.976 0.000 1.072 125 D HN 0.031 nan 8.370 nan 0.000 0.518 126 T N -0.526 113.830 114.554 -0.329 0.000 3.341 126 T HA 0.352 4.709 4.350 0.010 0.000 0.234 126 T C -0.124 174.641 174.700 0.108 0.000 0.890 126 T CA -0.575 61.433 62.100 -0.152 0.000 0.952 126 T CB -1.301 67.493 68.868 -0.124 0.000 1.146 126 T HN 0.283 nan 8.240 nan 0.000 0.591 127 Y N -2.285 118.054 120.300 0.066 0.000 2.625 127 Y HA 0.746 5.301 4.550 0.009 0.000 0.338 127 Y C -0.826 175.168 175.900 0.157 0.000 1.123 127 Y CA -1.753 56.427 58.100 0.134 0.000 1.046 127 Y CB 1.073 39.611 38.460 0.130 0.000 1.299 127 Y HN 0.002 nan 8.280 nan 0.000 0.464 128 E N 2.062 122.384 120.200 0.204 0.000 2.249 128 E HA 0.554 4.910 4.350 0.010 0.000 0.280 128 E C -1.128 175.485 176.600 0.021 0.000 1.016 128 E CA -0.583 55.852 56.400 0.059 0.000 0.830 128 E CB 1.989 31.696 29.700 0.011 0.000 1.081 128 E HN 0.546 nan 8.360 nan 0.000 0.395 129 I N 2.121 122.620 120.570 -0.118 0.000 2.436 129 I HA 0.135 4.312 4.170 0.010 0.000 0.289 129 I C 0.235 176.271 176.117 -0.135 0.000 1.010 129 I CA -0.720 60.465 61.300 -0.191 0.000 1.098 129 I CB 1.840 39.551 38.000 -0.481 0.000 1.266 129 I HN 0.499 nan 8.210 nan 0.000 0.434 130 E N 6.330 126.479 120.200 -0.085 0.000 2.502 130 E HA -0.100 4.256 4.350 0.010 0.000 0.261 130 E C 0.079 176.642 176.600 -0.061 0.000 0.974 130 E CA 0.447 56.812 56.400 -0.058 0.000 0.936 130 E CB 0.284 29.970 29.700 -0.023 0.000 0.926 130 E HN 0.632 nan 8.360 nan 0.000 0.459 131 N N 2.961 121.631 118.700 -0.050 0.000 2.741 131 N HA -0.182 4.564 4.740 0.010 0.000 0.251 131 N C -1.062 174.434 175.510 -0.023 0.000 1.112 131 N CA 0.869 53.899 53.050 -0.033 0.000 0.750 131 N CB -0.634 37.844 38.487 -0.014 0.000 1.119 131 N HN 0.543 nan 8.380 nan 0.000 0.561 132 Q N -0.506 119.265 119.800 -0.048 0.000 2.849 132 Q HA 0.251 4.597 4.340 0.010 0.000 0.289 132 Q C -1.519 174.481 176.000 -0.001 0.000 1.012 132 Q CA -1.184 54.619 55.803 0.000 0.000 0.899 132 Q CB 1.217 29.884 28.738 -0.119 0.000 1.235 132 Q HN 0.223 nan 8.270 nan 0.000 0.457 133 P HA -0.132 nan 4.420 nan 0.000 0.223 133 P C 0.587 177.623 177.300 -0.441 0.000 1.151 133 P CA 1.097 64.028 63.100 -0.282 0.000 0.787 133 P CB 0.222 31.668 31.700 -0.424 0.000 0.788 134 Y N -1.762 118.459 120.300 -0.132 0.000 2.523 134 Y HA 0.149 4.704 4.550 0.009 0.000 0.279 134 Y C 1.218 177.220 175.900 0.169 0.000 1.139 134 Y CA -0.234 57.754 58.100 -0.187 0.000 1.296 134 Y CB -0.605 37.727 38.460 -0.214 0.000 1.045 134 Y HN -0.169 nan 8.280 nan 0.000 0.538 135 F N 1.069 121.067 119.950 0.080 0.000 2.462 135 F HA 0.423 4.959 4.527 0.015 0.000 0.360 135 F C 1.151 176.848 175.800 -0.172 0.000 1.134 135 F CA 0.235 58.110 58.000 -0.208 0.000 1.148 135 F CB 0.060 38.684 39.000 -0.626 0.000 1.147 135 F HN 0.220 nan 8.300 nan 0.000 0.550 136 G N 4.116 112.741 108.800 -0.292 0.000 2.148 136 G HA2 -0.366 3.600 3.960 0.010 0.000 0.254 136 G HA3 -0.366 3.600 3.960 0.010 0.000 0.254 136 G C -0.108 174.743 174.900 -0.083 0.000 0.981 136 G CA 0.011 44.978 45.100 -0.222 0.000 0.670 136 G HN 0.821 nan 8.290 nan 0.000 0.528 137 Y N 0.535 120.752 120.300 -0.138 0.000 2.650 137 Y HA 0.372 4.929 4.550 0.012 0.000 0.331 137 Y C 1.086 176.979 175.900 -0.012 0.000 1.165 137 Y CA 0.034 58.008 58.100 -0.210 0.000 1.473 137 Y CB -0.438 37.809 38.460 -0.355 0.000 1.224 137 Y HN 0.612 nan 8.280 nan 0.000 0.533 138 F N 3.554 123.215 119.950 -0.482 0.000 3.006 138 F HA -0.329 4.205 4.527 0.011 0.000 0.289 138 F C 1.112 176.673 175.800 -0.399 0.000 0.772 138 F CA 1.102 58.780 58.000 -0.537 0.000 1.162 138 F CB -0.770 37.930 39.000 -0.499 0.000 1.382 138 F HN 0.631 nan 8.300 nan 0.000 0.406 139 R N 0.143 120.483 120.500 -0.267 0.000 2.362 139 R HA 0.354 4.701 4.340 0.010 0.000 0.227 139 R C 1.728 177.910 176.300 -0.197 0.000 0.905 139 R CA 0.755 56.776 56.100 -0.132 0.000 1.067 139 R CB 0.151 30.393 30.300 -0.096 0.000 1.078 139 R HN 0.456 nan 8.270 nan 0.000 0.516 140 G N 3.164 111.608 108.800 -0.593 0.000 2.182 140 G HA2 -0.335 3.631 3.960 0.010 0.000 0.248 140 G HA3 -0.335 3.631 3.960 0.010 0.000 0.248 140 G C 0.077 174.788 174.900 -0.317 0.000 1.042 140 G CA 0.418 45.314 45.100 -0.340 0.000 0.775 140 G HN 0.481 nan 8.290 nan 0.000 0.501 141 R N -0.811 119.500 120.500 -0.315 0.000 2.638 141 R HA 0.269 4.615 4.340 0.010 0.000 0.268 141 R C -0.160 176.049 176.300 -0.152 0.000 1.006 141 R CA -0.175 55.792 56.100 -0.220 0.000 1.088 141 R CB 0.442 30.649 30.300 -0.154 0.000 0.950 141 R HN 0.266 nan 8.270 nan 0.000 0.419 142 Y N 1.384 121.699 120.300 0.024 0.000 2.425 142 Y HA 0.020 4.576 4.550 0.010 0.000 0.331 142 Y C 1.285 177.197 175.900 0.021 0.000 1.157 142 Y CA 0.069 58.187 58.100 0.030 0.000 1.372 142 Y CB 1.071 39.562 38.460 0.052 0.000 1.253 142 Y HN 0.720 nan 8.280 nan 0.000 0.536 143 T N -1.353 113.302 114.554 0.167 0.000 2.868 143 T HA 0.093 4.449 4.350 0.010 0.000 0.292 143 T C 1.201 175.926 174.700 0.042 0.000 1.028 143 T CA -0.856 61.284 62.100 0.068 0.000 1.059 143 T CB 1.094 69.975 68.868 0.022 0.000 0.991 143 T HN 0.476 nan 8.240 nan 0.000 0.531 144 V N 2.078 121.973 119.914 -0.032 0.000 2.324 144 V HA -0.212 3.914 4.120 0.010 0.000 0.250 144 V C 3.089 179.137 176.094 -0.077 0.000 1.060 144 V CA 2.499 64.745 62.300 -0.090 0.000 1.042 144 V CB -1.667 30.013 31.823 -0.239 0.000 0.650 144 V HN 1.100 nan 8.190 nan 0.000 0.450 145 A N -0.696 122.087 122.820 -0.061 0.000 1.940 145 A HA -0.275 4.052 4.320 0.010 0.000 0.219 145 A C 2.178 179.736 177.584 -0.043 0.000 1.176 145 A CA 2.060 54.070 52.037 -0.046 0.000 0.631 145 A CB -0.471 18.511 19.000 -0.029 0.000 0.814 145 A HN 0.650 nan 8.150 nan 0.000 0.446 146 E N -0.339 119.852 120.200 -0.015 0.000 2.072 146 E HA -0.107 4.249 4.350 0.010 0.000 0.191 146 E C 1.964 178.473 176.600 -0.151 0.000 0.985 146 E CA 1.049 57.440 56.400 -0.014 0.000 0.801 146 E CB -0.246 29.539 29.700 0.141 0.000 0.750 146 E HN 0.629 nan 8.360 nan 0.000 0.452 147 L N 0.806 121.915 121.223 -0.190 0.000 2.093 147 L HA -0.228 4.119 4.340 0.010 0.000 0.208 147 L C 2.533 179.209 176.870 -0.323 0.000 1.085 147 L CA 1.191 55.832 54.840 -0.331 0.000 0.755 147 L CB -0.344 41.587 42.059 -0.213 0.000 0.904 147 L HN 0.158 nan 8.230 nan 0.000 0.435 148 Q N -0.255 119.433 119.800 -0.186 0.000 2.084 148 Q HA -0.282 4.064 4.340 0.010 0.000 0.202 148 Q C 2.122 178.048 176.000 -0.123 0.000 0.978 148 Q CA 1.849 57.562 55.803 -0.149 0.000 0.844 148 Q CB -0.115 28.564 28.738 -0.099 0.000 0.898 148 Q HN 0.477 nan 8.270 nan 0.000 0.426 149 E N 0.701 120.839 120.200 -0.103 0.000 2.077 149 E HA -0.189 4.168 4.350 0.010 0.000 0.193 149 E C 1.849 178.409 176.600 -0.066 0.000 0.989 149 E CA 0.874 57.241 56.400 -0.056 0.000 0.800 149 E CB -0.002 29.672 29.700 -0.043 0.000 0.746 149 E HN 0.327 nan 8.360 nan 0.000 0.452 150 I N 0.832 121.298 120.570 -0.174 0.000 2.202 150 I HA -0.230 3.946 4.170 0.010 0.000 0.242 150 I C 2.666 178.656 176.117 -0.211 0.000 1.091 150 I CA 1.355 62.547 61.300 -0.181 0.000 1.368 150 I CB -0.347 37.466 38.000 -0.312 0.000 1.058 150 I HN 0.255 nan 8.210 nan 0.000 0.410 151 E N 1.212 121.135 120.200 -0.460 0.000 2.058 151 E HA -0.293 4.063 4.350 0.010 0.000 0.194 151 E C 1.631 178.224 176.600 -0.012 0.000 0.997 151 E CA 1.884 58.096 56.400 -0.314 0.000 0.801 151 E CB 0.038 29.572 29.700 -0.277 0.000 0.746 151 E HN 0.391 nan 8.360 nan 0.000 0.450 152 D N -0.522 119.887 120.400 0.014 0.000 2.144 152 D HA -0.167 4.479 4.640 0.010 0.000 0.199 152 D C 1.601 177.947 176.300 0.077 0.000 0.984 152 D CA 0.878 54.919 54.000 0.070 0.000 0.834 152 D CB -0.391 40.453 40.800 0.073 0.000 0.955 152 D HN 0.302 nan 8.370 nan 0.000 0.465 153 Y N 1.421 121.717 120.300 -0.007 0.000 2.200 153 Y HA -0.122 4.434 4.550 0.010 0.000 0.290 153 Y C 2.317 178.288 175.900 0.117 0.000 1.137 153 Y CA 1.366 59.487 58.100 0.035 0.000 1.163 153 Y CB -0.384 38.099 38.460 0.039 0.000 0.988 153 Y HN -0.054 nan 8.280 nan 0.000 0.518 154 A N 0.237 123.171 122.820 0.190 0.000 1.883 154 A HA -0.217 4.110 4.320 0.010 0.000 0.217 154 A C 2.424 180.075 177.584 0.112 0.000 1.186 154 A CA 2.145 54.289 52.037 0.178 0.000 0.624 154 A CB -1.522 17.626 19.000 0.246 0.000 0.822 154 A HN 0.536 nan 8.150 nan 0.000 0.444 155 A N -0.197 122.661 122.820 0.063 0.000 1.978 155 A HA -0.195 4.131 4.320 0.010 0.000 0.220 155 A C 1.661 179.190 177.584 -0.091 0.000 1.170 155 A CA 1.898 53.942 52.037 0.013 0.000 0.636 155 A CB -0.620 18.386 19.000 0.010 0.000 0.810 155 A HN 0.472 nan 8.150 nan 0.000 0.448 156 D N -1.030 119.232 120.400 -0.230 0.000 2.263 156 D HA -0.092 4.554 4.640 0.010 0.000 0.208 156 D C 0.645 176.532 176.300 -0.689 0.000 0.971 156 D CA 1.008 54.710 54.000 -0.496 0.000 0.867 156 D CB -0.265 40.084 40.800 -0.751 0.000 0.929 156 D HN 0.583 nan 8.370 nan 0.000 0.492 157 F N 0.369 120.169 119.950 -0.250 0.000 2.647 157 F HA 0.125 4.659 4.527 0.010 0.000 0.300 157 F C 0.389 176.232 175.800 0.072 0.000 1.106 157 F CA -0.335 57.533 58.000 -0.220 0.000 1.313 157 F CB 0.325 39.099 39.000 -0.377 0.000 1.007 157 F HN -0.284 nan 8.300 nan 0.000 0.536 158 D N 0.755 121.236 120.400 0.136 0.000 2.837 158 D HA -0.210 4.437 4.640 0.010 0.000 0.230 158 D C 0.056 176.464 176.300 0.180 0.000 1.152 158 D CA 0.827 54.912 54.000 0.143 0.000 0.736 158 D CB -1.117 39.764 40.800 0.136 0.000 1.084 158 D HN 0.310 nan 8.370 nan 0.000 0.429 159 M N 0.204 119.900 119.600 0.160 0.000 2.367 159 M HA 0.235 4.721 4.480 0.010 0.000 0.339 159 M C 0.955 177.336 176.300 0.135 0.000 1.177 159 M CA -0.457 54.913 55.300 0.116 0.000 1.068 159 M CB 1.832 34.508 32.600 0.128 0.000 1.602 159 M HN -0.012 nan 8.290 nan 0.000 0.457 160 S N 1.314 117.086 115.700 0.120 0.000 2.669 160 S HA 0.662 5.138 4.470 0.010 0.000 0.270 160 S C -0.898 173.848 174.600 0.243 0.000 1.225 160 S CA -0.705 57.586 58.200 0.152 0.000 0.991 160 S CB 1.220 64.475 63.200 0.092 0.000 0.987 160 S HN 0.554 nan 8.310 nan 0.000 0.552 161 F N 0.738 120.727 119.950 0.066 0.000 2.529 161 F HA 0.666 5.198 4.527 0.009 0.000 0.320 161 F C -1.390 174.406 175.800 -0.007 0.000 1.118 161 F CA -1.034 56.991 58.000 0.042 0.000 0.915 161 F CB 1.666 40.699 39.000 0.054 0.000 1.161 161 F HN 0.451 nan 8.300 nan 0.000 0.445 162 V N 7.934 127.372 119.914 -0.794 0.000 2.409 162 V HA 0.397 4.524 4.120 0.010 0.000 0.290 162 V C -2.280 173.280 176.094 -0.890 0.000 1.017 162 V CA -1.700 60.225 62.300 -0.625 0.000 0.841 162 V CB 1.576 33.200 31.823 -0.332 0.000 1.003 162 V HN 0.602 nan 8.190 nan 0.000 0.426 163 P HA 0.218 nan 4.420 nan 0.000 0.275 163 P C -0.687 176.370 177.300 -0.406 0.000 1.227 163 P CA -0.280 62.459 63.100 -0.602 0.000 0.781 163 P CB 0.936 32.377 31.700 -0.432 0.000 0.906 164 C N 5.142 124.258 119.300 -0.306 0.000 2.271 164 C HA 0.573 5.039 4.460 0.010 0.000 0.323 164 C C 1.089 176.029 174.990 -0.084 0.000 1.245 164 C CA -0.293 58.640 59.018 -0.140 0.000 1.548 164 C CB -1.385 26.373 27.740 0.029 0.000 2.214 164 C HN 0.530 nan 8.230 nan 0.000 0.477 165 I N 0.937 121.443 120.570 -0.106 0.000 3.540 165 I HA 0.690 4.866 4.170 0.010 0.000 0.288 165 I C -0.825 175.324 176.117 0.052 0.000 1.169 165 I CA -0.596 60.661 61.300 -0.072 0.000 1.038 165 I CB 1.107 39.017 38.000 -0.149 0.000 1.338 165 I HN 0.258 nan 8.210 nan 0.000 0.507 166 Q N 1.280 121.136 119.800 0.093 0.000 2.321 166 Q HA 0.325 4.672 4.340 0.010 0.000 0.270 166 Q C -0.383 175.712 176.000 0.158 0.000 1.032 166 Q CA -0.284 55.612 55.803 0.155 0.000 0.784 166 Q CB 2.067 30.907 28.738 0.170 0.000 1.264 166 Q HN 0.903 nan 8.270 nan 0.000 0.448 167 T N -1.158 113.500 114.554 0.173 0.000 3.132 167 T HA 0.282 4.639 4.350 0.010 0.000 0.274 167 T C 0.689 175.569 174.700 0.301 0.000 1.011 167 T CA -0.012 62.213 62.100 0.209 0.000 0.899 167 T CB 0.301 69.279 68.868 0.185 0.000 1.089 167 T HN 0.327 nan 8.240 nan 0.000 0.543 168 L N 0.004 121.356 121.223 0.214 0.000 2.923 168 L HA 0.890 5.236 4.340 0.010 0.000 0.161 168 L C 0.346 177.251 176.870 0.060 0.000 1.202 168 L CA 0.638 55.551 54.840 0.122 0.000 0.920 168 L CB 0.115 42.233 42.059 0.099 0.000 1.773 168 L HN 0.256 nan 8.230 nan 0.000 0.532 169 A N -2.254 120.609 122.820 0.071 0.000 2.616 169 A HA 0.587 4.914 4.320 0.010 0.000 0.253 169 A C -0.530 177.127 177.584 0.122 0.000 1.239 169 A CA 0.170 52.217 52.037 0.017 0.000 0.914 169 A CB 0.112 19.048 19.000 -0.106 0.000 1.454 169 A HN 0.486 nan 8.150 nan 0.000 0.460 170 H N -1.784 117.276 119.070 -0.017 0.000 2.713 170 H HA -0.123 4.439 4.556 0.010 0.000 0.311 170 H C -0.469 174.873 175.328 0.023 0.000 1.175 170 H CA 1.118 57.166 56.048 0.001 0.000 1.143 170 H CB -1.343 28.446 29.762 0.045 0.000 1.434 170 H HN 0.420 nan 8.280 nan 0.000 0.418 171 L N 0.453 121.736 121.223 0.101 0.000 3.141 171 L HA 0.055 4.402 4.340 0.010 0.000 0.267 171 L C 1.902 178.821 176.870 0.082 0.000 1.281 171 L CA 0.581 55.487 54.840 0.110 0.000 1.037 171 L CB 0.474 42.650 42.059 0.195 0.000 1.407 171 L HN 0.230 nan 8.230 nan 0.000 0.566 172 S N 0.049 115.763 115.700 0.023 0.000 2.383 172 S HA -0.234 4.242 4.470 0.010 0.000 0.229 172 S C 1.993 176.582 174.600 -0.019 0.000 1.030 172 S CA 1.197 59.383 58.200 -0.023 0.000 1.002 172 S CB -0.126 63.041 63.200 -0.055 0.000 0.829 172 S HN 0.424 nan 8.310 nan 0.000 0.467 173 A N -0.042 122.787 122.820 0.015 0.000 2.119 173 A HA 0.271 4.597 4.320 0.010 0.000 0.216 173 A C 1.758 179.451 177.584 0.181 0.000 1.152 173 A CA 0.818 52.876 52.037 0.035 0.000 0.708 173 A CB -0.679 18.334 19.000 0.021 0.000 0.805 173 A HN 0.608 nan 8.150 nan 0.000 0.460 174 F N 0.579 120.534 119.950 0.007 0.000 2.243 174 F HA 0.010 4.542 4.527 0.009 0.000 0.287 174 F C 2.040 177.953 175.800 0.189 0.000 1.067 174 F CA 1.439 59.519 58.000 0.134 0.000 1.304 174 F CB -0.375 38.638 39.000 0.021 0.000 1.087 174 F HN 0.071 nan 8.300 nan 0.000 0.513 175 V N 0.633 120.497 119.914 -0.083 0.000 3.305 175 V HA -0.119 4.008 4.120 0.010 0.000 0.269 175 V C 1.968 177.933 176.094 -0.215 0.000 1.157 175 V CA 1.561 63.708 62.300 -0.255 0.000 1.157 175 V CB -1.662 30.081 31.823 -0.132 0.000 0.772 175 V HN 0.515 nan 8.190 nan 0.000 0.498 176 K N -0.672 119.586 120.400 -0.237 0.000 2.362 176 K HA -0.097 4.230 4.320 0.010 0.000 0.200 176 K C 0.431 176.772 176.600 -0.431 0.000 1.046 176 K CA 0.349 56.425 56.287 -0.353 0.000 0.952 176 K CB -0.298 31.930 32.500 -0.453 0.000 0.753 176 K HN 0.590 nan 8.250 nan 0.000 0.466 177 W N 2.014 123.219 121.300 -0.158 0.000 2.419 177 W HA 0.239 4.905 4.660 0.011 0.000 0.312 177 W C 0.834 177.190 176.519 -0.272 0.000 1.323 177 W CA -0.702 56.526 57.345 -0.195 0.000 1.293 177 W CB 0.992 30.302 29.460 -0.249 0.000 1.324 177 W HN 0.141 nan 8.180 nan 0.000 0.512 178 G N 5.739 114.547 108.800 0.014 0.000 3.316 178 G HA2 0.293 4.259 3.960 0.010 0.000 0.255 178 G HA3 0.293 4.259 3.960 0.010 0.000 0.255 178 G C -0.308 174.545 174.900 -0.078 0.000 0.880 178 G CA -0.293 44.780 45.100 -0.046 0.000 1.956 178 G HN 0.312 nan 8.290 nan 0.000 0.634 179 I N 0.867 121.341 120.570 -0.160 0.000 2.498 179 I HA 0.179 4.356 4.170 0.010 0.000 0.290 179 I C 1.233 177.264 176.117 -0.144 0.000 1.032 179 I CA -0.937 60.237 61.300 -0.211 0.000 1.073 179 I CB 2.174 39.883 38.000 -0.485 0.000 1.251 179 I HN 0.487 nan 8.210 nan 0.000 0.426 180 K N 4.037 124.383 120.400 -0.090 0.000 2.103 180 K HA -0.168 4.158 4.320 0.010 0.000 0.207 180 K C 0.752 177.318 176.600 -0.056 0.000 1.048 180 K CA 1.702 57.953 56.287 -0.060 0.000 0.930 180 K CB 0.089 32.568 32.500 -0.035 0.000 0.716 180 K HN 0.430 nan 8.250 nan 0.000 0.444 181 E N 0.779 120.949 120.200 -0.049 0.000 2.347 181 E HA -0.051 4.306 4.350 0.010 0.000 0.196 181 E C 1.745 178.330 176.600 -0.025 0.000 1.008 181 E CA 0.632 57.023 56.400 -0.015 0.000 0.852 181 E CB 0.205 29.917 29.700 0.020 0.000 0.783 181 E HN 0.179 nan 8.360 nan 0.000 0.505 182 V N 0.266 120.112 119.914 -0.113 0.000 2.492 182 V HA -0.118 4.009 4.120 0.010 0.000 0.241 182 V C 1.955 177.932 176.094 -0.196 0.000 1.041 182 V CA 0.844 63.004 62.300 -0.233 0.000 1.057 182 V CB -0.219 31.364 31.823 -0.399 0.000 0.711 182 V HN 0.165 nan 8.190 nan 0.000 0.468 183 Q N 0.901 120.612 119.800 -0.147 0.000 2.170 183 Q HA -0.217 4.129 4.340 0.010 0.000 0.203 183 Q C 2.148 178.106 176.000 -0.069 0.000 0.976 183 Q CA 1.699 57.436 55.803 -0.110 0.000 0.858 183 Q CB -0.371 28.313 28.738 -0.090 0.000 0.907 183 Q HN 0.923 nan 8.270 nan 0.000 0.433 184 E N 0.244 120.414 120.200 -0.050 0.000 2.409 184 E HA -0.108 4.248 4.350 0.010 0.000 0.198 184 E C 1.401 177.996 176.600 -0.009 0.000 1.024 184 E CA 0.385 56.772 56.400 -0.023 0.000 0.861 184 E CB -0.201 29.492 29.700 -0.011 0.000 0.788 184 E HN 0.316 nan 8.360 nan 0.000 0.521 185 L N 0.580 121.795 121.223 -0.015 0.000 2.592 185 L HA 0.207 4.553 4.340 0.010 0.000 0.227 185 L C 0.870 177.741 176.870 0.002 0.000 1.127 185 L CA -0.093 54.753 54.840 0.010 0.000 0.884 185 L CB -0.069 42.026 42.059 0.059 0.000 1.065 185 L HN -0.026 nan 8.230 nan 0.000 0.457 186 R N -0.071 120.420 120.500 -0.016 0.000 2.474 186 R HA 0.150 4.496 4.340 0.010 0.000 0.295 186 R C 0.286 176.590 176.300 0.007 0.000 0.980 186 R CA -0.534 55.556 56.100 -0.016 0.000 0.934 186 R CB 1.744 32.020 30.300 -0.041 0.000 1.101 186 R HN -0.160 nan 8.270 nan 0.000 0.469 187 D N 0.921 121.328 120.400 0.011 0.000 2.355 187 D HA 0.057 4.703 4.640 0.010 0.000 0.233 187 D C -0.352 175.963 176.300 0.023 0.000 0.997 187 D CA 0.842 54.865 54.000 0.039 0.000 0.920 187 D CB 0.604 41.423 40.800 0.033 0.000 1.063 187 D HN 0.128 nan 8.370 nan 0.000 0.465 188 V N -0.382 119.532 119.914 -0.001 0.000 3.106 188 V HA 0.218 4.344 4.120 0.010 0.000 0.280 188 V C -0.622 175.456 176.094 -0.027 0.000 1.525 188 V CA -0.225 62.072 62.300 -0.006 0.000 0.999 188 V CB 1.555 33.385 31.823 0.010 0.000 1.186 188 V HN 0.450 nan 8.190 nan 0.000 0.448 189 E N 2.443 122.625 120.200 -0.031 0.000 3.289 189 E HA -0.288 4.068 4.350 0.010 0.000 0.386 189 E C -0.227 176.336 176.600 -0.062 0.000 1.526 189 E CA 1.870 58.242 56.400 -0.047 0.000 1.519 189 E CB -0.640 29.032 29.700 -0.047 0.000 1.657 189 E HN 1.104 nan 8.360 nan 0.000 0.479 190 D N 1.415 121.765 120.400 -0.083 0.000 2.427 190 D HA 0.186 4.833 4.640 0.010 0.000 0.224 190 D C 0.264 176.530 176.300 -0.056 0.000 1.157 190 D CA 0.168 54.121 54.000 -0.078 0.000 0.828 190 D CB -0.328 40.397 40.800 -0.126 0.000 0.974 190 D HN 0.242 nan 8.370 nan 0.000 0.498 191 I N 0.918 121.456 120.570 -0.054 0.000 2.377 191 I HA 0.249 4.425 4.170 0.010 0.000 0.293 191 I C 0.558 176.657 176.117 -0.029 0.000 0.987 191 I CA -1.054 60.216 61.300 -0.050 0.000 1.185 191 I CB 2.006 39.961 38.000 -0.075 0.000 1.341 191 I HN -0.253 nan 8.210 nan 0.000 0.455 192 L N 5.193 126.404 121.223 -0.020 0.000 2.464 192 L HA 0.172 4.518 4.340 0.010 0.000 0.264 192 L C -0.083 176.744 176.870 -0.072 0.000 1.199 192 L CA -0.585 54.244 54.840 -0.018 0.000 0.818 192 L CB 0.501 42.566 42.059 0.010 0.000 1.102 192 L HN 0.415 nan 8.230 nan 0.000 0.473 193 L N 3.140 124.340 121.223 -0.038 0.000 2.295 193 L HA 0.328 4.674 4.340 0.010 0.000 0.288 193 L C 0.043 176.902 176.870 -0.019 0.000 1.079 193 L CA 0.306 55.155 54.840 0.016 0.000 0.830 193 L CB -0.025 42.075 42.059 0.068 0.000 1.200 193 L HN 0.259 nan 8.230 nan 0.000 0.438 194 I N 5.435 125.971 120.570 -0.057 0.000 2.752 194 I HA 0.165 4.341 4.170 0.010 0.000 0.287 194 I C 1.522 177.811 176.117 0.287 0.000 1.188 194 I CA 1.103 62.386 61.300 -0.028 0.000 1.427 194 I CB 0.425 38.280 38.000 -0.242 0.000 1.365 194 I HN 0.892 nan 8.210 nan 0.000 0.585 195 G N 4.014 113.071 108.800 0.429 0.000 2.205 195 G HA2 -0.288 3.678 3.960 0.010 0.000 0.261 195 G HA3 -0.288 3.678 3.960 0.010 0.000 0.261 195 G C 0.137 175.265 174.900 0.381 0.000 0.980 195 G CA 0.261 45.632 45.100 0.450 0.000 0.632 195 G HN 0.693 nan 8.290 nan 0.000 0.533 196 E N 1.065 121.409 120.200 0.239 0.000 2.167 196 E HA 0.555 4.911 4.350 0.010 0.000 0.284 196 E C 1.397 178.082 176.600 0.142 0.000 1.016 196 E CA -0.487 56.002 56.400 0.148 0.000 0.817 196 E CB 0.629 30.369 29.700 0.067 0.000 1.080 196 E HN 0.133 nan 8.360 nan 0.000 0.397 197 E N 3.881 124.204 120.200 0.205 0.000 2.118 197 E HA -0.199 4.157 4.350 0.010 0.000 0.195 197 E C 0.958 177.648 176.600 0.151 0.000 0.992 197 E CA 1.207 57.752 56.400 0.241 0.000 0.804 197 E CB 0.027 29.832 29.700 0.175 0.000 0.741 197 E HN 0.546 nan 8.360 nan 0.000 0.458 198 K N 0.235 120.685 120.400 0.085 0.000 2.209 198 K HA -0.063 4.263 4.320 0.010 0.000 0.204 198 K C 2.126 178.741 176.600 0.026 0.000 1.048 198 K CA 0.655 56.978 56.287 0.059 0.000 0.940 198 K CB 0.017 32.548 32.500 0.051 0.000 0.729 198 K HN -0.058 nan 8.250 nan 0.000 0.451 199 V N 0.324 120.204 119.914 -0.057 0.000 2.379 199 V HA -0.225 3.901 4.120 0.010 0.000 0.245 199 V C 1.660 177.628 176.094 -0.209 0.000 1.044 199 V CA 1.560 63.766 62.300 -0.157 0.000 1.036 199 V CB -0.486 31.161 31.823 -0.293 0.000 0.664 199 V HN 0.222 nan 8.190 nan 0.000 0.453 200 Y N 0.518 120.894 120.300 0.125 0.000 2.293 200 Y HA -0.152 4.402 4.550 0.008 0.000 0.291 200 Y C 2.398 178.345 175.900 0.078 0.000 1.137 200 Y CA 1.037 59.196 58.100 0.099 0.000 1.202 200 Y CB -0.738 37.773 38.460 0.086 0.000 0.990 200 Y HN 0.313 nan 8.280 nan 0.000 0.537 201 D N -0.083 120.411 120.400 0.158 0.000 2.097 201 D HA -0.166 4.480 4.640 0.010 0.000 0.195 201 D C 2.239 178.573 176.300 0.056 0.000 0.989 201 D CA 1.036 55.099 54.000 0.104 0.000 0.827 201 D CB -0.615 40.233 40.800 0.081 0.000 0.966 201 D HN 0.259 nan 8.370 nan 0.000 0.456 202 L N 0.810 122.050 121.223 0.029 0.000 1.989 202 L HA -0.126 4.221 4.340 0.010 0.000 0.211 202 L C 2.176 179.018 176.870 -0.047 0.000 1.071 202 L CA 1.442 56.260 54.840 -0.038 0.000 0.749 202 L CB -0.474 41.579 42.059 -0.010 0.000 0.890 202 L HN 0.001 nan 8.230 nan 0.000 0.431 203 I N -0.494 120.102 120.570 0.043 0.000 2.226 203 I HA -0.303 3.873 4.170 0.010 0.000 0.245 203 I C 2.521 178.748 176.117 0.183 0.000 1.100 203 I CA 1.672 63.044 61.300 0.120 0.000 1.374 203 I CB -0.402 37.723 38.000 0.208 0.000 1.057 203 I HN 0.441 nan 8.210 nan 0.000 0.413 204 E N 1.149 121.440 120.200 0.152 0.000 2.110 204 E HA -0.191 4.166 4.350 0.010 0.000 0.193 204 E C 2.275 178.878 176.600 0.004 0.000 0.988 204 E CA 1.385 57.858 56.400 0.122 0.000 0.804 204 E CB -0.230 29.559 29.700 0.148 0.000 0.745 204 E HN 0.490 nan 8.360 nan 0.000 0.458 205 G N 0.716 109.500 108.800 -0.027 0.000 2.440 205 G HA2 -0.287 3.679 3.960 0.010 0.000 0.218 205 G HA3 -0.287 3.679 3.960 0.010 0.000 0.218 205 G C 1.529 176.345 174.900 -0.140 0.000 1.154 205 G CA 1.098 46.142 45.100 -0.095 0.000 0.767 205 G HN 0.219 nan 8.290 nan 0.000 0.552 206 M N -0.449 119.058 119.600 -0.155 0.000 2.080 206 M HA 0.010 4.497 4.480 0.010 0.000 0.260 206 M C 2.350 178.423 176.300 -0.378 0.000 1.068 206 M CA 1.384 56.571 55.300 -0.188 0.000 1.109 206 M CB -0.484 31.993 32.600 -0.205 0.000 1.342 206 M HN 0.210 nan 8.290 nan 0.000 0.405 207 F N 0.552 120.289 119.950 -0.355 0.000 2.186 207 F HA -0.177 4.356 4.527 0.010 0.000 0.299 207 F C 2.679 178.125 175.800 -0.590 0.000 1.090 207 F CA 1.362 59.033 58.000 -0.548 0.000 1.307 207 F CB -0.477 38.172 39.000 -0.585 0.000 1.019 207 F HN 0.181 nan 8.300 nan 0.000 0.489 208 Q N -0.454 119.097 119.800 -0.416 0.000 2.096 208 Q HA -0.191 4.155 4.340 0.010 0.000 0.204 208 Q C 2.162 178.164 176.000 0.004 0.000 0.982 208 Q CA 2.166 57.817 55.803 -0.254 0.000 0.850 208 Q CB -0.603 28.069 28.738 -0.109 0.000 0.901 208 Q HN 0.347 nan 8.270 nan 0.000 0.422 209 T N 0.859 115.416 114.554 0.005 0.000 2.708 209 T HA -0.125 4.231 4.350 0.010 0.000 0.266 209 T C 1.737 176.493 174.700 0.093 0.000 1.037 209 T CA 1.140 63.301 62.100 0.102 0.000 1.146 209 T CB -0.051 68.836 68.868 0.032 0.000 0.865 209 T HN 0.182 nan 8.240 nan 0.000 0.435 210 M N 1.014 120.548 119.600 -0.109 0.000 2.394 210 M HA 0.181 4.668 4.480 0.010 0.000 0.264 210 M C 2.624 179.069 176.300 0.242 0.000 1.073 210 M CA 0.576 55.840 55.300 -0.061 0.000 1.111 210 M CB -1.402 30.966 32.600 -0.385 0.000 1.401 210 M HN 0.273 nan 8.290 nan 0.000 0.448 211 A N -0.747 122.220 122.820 0.245 0.000 2.172 211 A HA -0.147 4.179 4.320 0.010 0.000 0.216 211 A C 1.765 179.374 177.584 0.043 0.000 1.154 211 A CA 1.005 53.205 52.037 0.271 0.000 0.701 211 A CB -1.048 18.102 19.000 0.250 0.000 0.789 211 A HN 0.511 nan 8.150 nan 0.000 0.465 212 H N -0.575 118.528 119.070 0.055 0.000 2.546 212 H HA 0.115 4.677 4.556 0.010 0.000 0.277 212 H C 0.425 175.701 175.328 -0.087 0.000 1.004 212 H CA 0.469 56.509 56.048 -0.013 0.000 1.231 212 H CB -0.074 29.672 29.762 -0.026 0.000 1.382 212 H HN 0.380 nan 8.280 nan 0.000 0.580 213 L N -0.114 121.146 121.223 0.061 0.000 2.439 213 L HA 0.096 4.442 4.340 0.010 0.000 0.259 213 L C 1.576 178.396 176.870 -0.084 0.000 1.129 213 L CA -0.346 54.475 54.840 -0.032 0.000 0.803 213 L CB 0.871 42.999 42.059 0.117 0.000 1.161 213 L HN 0.116 nan 8.230 nan 0.000 0.462 214 H N -1.096 118.011 119.070 0.061 0.000 2.403 214 H HA -0.060 4.503 4.556 0.011 0.000 0.298 214 H C 0.901 176.226 175.328 -0.005 0.000 1.059 214 H CA 0.696 56.757 56.048 0.021 0.000 1.363 214 H CB 0.171 29.947 29.762 0.024 0.000 1.410 214 H HN 0.568 nan 8.280 nan 0.000 0.528 215 T N 1.041 115.695 114.554 0.168 0.000 2.946 215 T HA -0.035 4.321 4.350 0.010 0.000 0.311 215 T C 0.826 175.463 174.700 -0.105 0.000 1.063 215 T CA -0.034 62.123 62.100 0.095 0.000 1.139 215 T CB 0.346 69.325 68.868 0.184 0.000 0.994 215 T HN 0.251 nan 8.240 nan 0.000 0.547 216 R N 3.314 123.696 120.500 -0.197 0.000 2.727 216 R HA 0.259 4.606 4.340 0.010 0.000 0.410 216 R C -0.281 175.972 176.300 -0.079 0.000 1.101 216 R CA -0.234 55.538 56.100 -0.546 0.000 1.045 216 R CB 0.310 30.318 30.300 -0.485 0.000 1.380 216 R HN 0.559 nan 8.270 nan 0.000 0.587 217 K N 0.997 121.475 120.400 0.131 0.000 2.397 217 K HA 0.531 4.857 4.320 0.010 0.000 0.253 217 K C -1.353 175.352 176.600 0.176 0.000 0.932 217 K CA -0.562 55.824 56.287 0.165 0.000 0.795 217 K CB 1.779 34.310 32.500 0.051 0.000 1.159 217 K HN 0.087 nan 8.250 nan 0.000 0.424 218 I N 2.646 123.292 120.570 0.126 0.000 2.752 218 I HA 0.296 4.472 4.170 0.010 0.000 0.295 218 I C -1.783 174.270 176.117 -0.108 0.000 1.219 218 I CA -0.807 60.467 61.300 -0.044 0.000 1.030 218 I CB 2.095 40.008 38.000 -0.145 0.000 1.259 218 I HN 0.660 nan 8.210 nan 0.000 0.423 219 N N 7.367 125.941 118.700 -0.210 0.000 2.437 219 N HA 0.320 5.066 4.740 0.010 0.000 0.259 219 N C 0.435 175.821 175.510 -0.207 0.000 0.983 219 N CA -0.487 52.403 53.050 -0.266 0.000 0.937 219 N CB 1.284 39.520 38.487 -0.420 0.000 1.122 219 N HN 0.721 nan 8.380 nan 0.000 0.499 220 I N 0.855 121.343 120.570 -0.137 0.000 3.684 220 I HA 0.333 4.509 4.170 0.010 0.000 0.304 220 I C 1.036 177.166 176.117 0.022 0.000 1.278 220 I CA -0.016 61.259 61.300 -0.042 0.000 1.272 220 I CB -0.392 37.640 38.000 0.054 0.000 1.029 220 I HN 0.586 nan 8.210 nan 0.000 0.458 221 G N 2.505 111.288 108.800 -0.027 0.000 2.527 221 G HA2 -0.332 3.634 3.960 0.010 0.000 0.262 221 G HA3 -0.332 3.634 3.960 0.010 0.000 0.262 221 G C 0.379 175.444 174.900 0.274 0.000 1.153 221 G CA 0.276 45.503 45.100 0.212 0.000 0.954 221 G HN 0.404 nan 8.290 nan 0.000 0.552 222 M N 0.518 120.291 119.600 0.289 0.000 2.976 222 M HA -0.127 4.359 4.480 0.010 0.000 0.209 222 M C 0.228 176.644 176.300 0.194 0.000 0.579 222 M CA 1.339 56.758 55.300 0.198 0.000 0.783 222 M CB -2.189 30.491 32.600 0.134 0.000 2.807 222 M HN 1.006 nan 8.290 nan 0.000 0.362 223 D N 1.722 122.307 120.400 0.308 0.000 2.339 223 D HA 0.227 4.874 4.640 0.010 0.000 0.245 223 D C 0.330 176.652 176.300 0.037 0.000 1.115 223 D CA 0.234 54.339 54.000 0.175 0.000 0.917 223 D CB 0.599 41.382 40.800 -0.028 0.000 1.192 223 D HN 0.394 nan 8.370 nan 0.000 0.428 224 E N -0.951 119.204 120.200 -0.075 0.000 2.320 224 E HA -0.184 4.172 4.350 0.010 0.000 0.234 224 E C -0.723 175.518 176.600 -0.599 0.000 1.183 224 E CA 0.617 56.748 56.400 -0.449 0.000 0.713 224 E CB -1.525 27.996 29.700 -0.299 0.000 1.226 224 E HN 0.585 nan 8.360 nan 0.000 0.382 225 A N 0.100 122.718 122.820 -0.338 0.000 3.249 225 A HA 0.308 4.634 4.320 0.010 0.000 0.297 225 A C 0.542 178.052 177.584 -0.123 0.000 1.302 225 A CA -0.315 51.587 52.037 -0.224 0.000 1.074 225 A CB -0.244 18.677 19.000 -0.131 0.000 1.132 225 A HN 0.445 nan 8.150 nan 0.000 0.575 226 H N 0.365 119.394 119.070 -0.068 0.000 2.387 226 H HA -0.018 4.544 4.556 0.011 0.000 0.299 226 H C 0.826 176.133 175.328 -0.035 0.000 1.090 226 H CA 1.319 57.340 56.048 -0.046 0.000 1.332 226 H CB 0.148 29.888 29.762 -0.038 0.000 1.386 226 H HN 0.527 nan 8.280 nan 0.000 0.516 227 L N 1.378 122.646 121.223 0.075 0.000 2.728 227 L HA 0.125 4.472 4.340 0.010 0.000 0.235 227 L C 0.175 177.047 176.870 0.004 0.000 1.197 227 L CA -0.497 54.370 54.840 0.045 0.000 0.992 227 L CB 0.648 42.731 42.059 0.041 0.000 1.263 227 L HN 0.068 nan 8.230 nan 0.000 0.484 228 V N 1.494 121.385 119.914 -0.038 0.000 2.644 228 V HA 0.107 4.234 4.120 0.010 0.000 0.305 228 V C 1.446 177.466 176.094 -0.124 0.000 1.053 228 V CA 1.590 63.827 62.300 -0.105 0.000 1.186 228 V CB 0.584 32.313 31.823 -0.155 0.000 0.895 228 V HN 0.762 nan 8.190 nan 0.000 0.490 229 G N 4.448 113.153 108.800 -0.157 0.000 2.176 229 G HA2 -0.245 3.721 3.960 0.010 0.000 0.253 229 G HA3 -0.245 3.721 3.960 0.010 0.000 0.253 229 G C 0.392 175.365 174.900 0.121 0.000 0.979 229 G CA 0.463 45.471 45.100 -0.154 0.000 0.641 229 G HN 0.873 nan 8.290 nan 0.000 0.530 230 L N 0.132 121.422 121.223 0.112 0.000 2.766 230 L HA 0.456 4.803 4.340 0.010 0.000 0.242 230 L C 1.981 178.927 176.870 0.127 0.000 1.136 230 L CA 0.483 55.414 54.840 0.152 0.000 0.933 230 L CB 0.258 42.395 42.059 0.130 0.000 1.241 230 L HN 0.313 nan 8.230 nan 0.000 0.522 231 G N -0.047 108.825 108.800 0.121 0.000 3.374 231 G HA2 0.115 4.081 3.960 0.010 0.000 0.200 231 G HA3 0.115 4.081 3.960 0.010 0.000 0.200 231 G C 1.000 175.956 174.900 0.093 0.000 1.801 231 G CA -0.254 44.898 45.100 0.086 0.000 0.842 231 G HN -0.033 nan 8.290 nan 0.000 0.688 232 R N -1.094 119.452 120.500 0.077 0.000 2.193 232 R HA -0.044 4.302 4.340 0.010 0.000 0.229 232 R C 2.179 178.524 176.300 0.075 0.000 1.110 232 R CA 0.984 57.115 56.100 0.052 0.000 0.988 232 R CB -0.412 29.906 30.300 0.031 0.000 0.871 232 R HN 0.508 nan 8.270 nan 0.000 0.458 233 Y N 1.120 121.463 120.300 0.070 0.000 2.181 233 Y HA -0.252 4.304 4.550 0.009 0.000 0.288 233 Y C 2.071 178.077 175.900 0.176 0.000 1.146 233 Y CA 1.482 59.678 58.100 0.159 0.000 1.164 233 Y CB -0.101 38.412 38.460 0.087 0.000 0.982 233 Y HN 0.012 nan 8.280 nan 0.000 0.515 234 L N 0.191 121.555 121.223 0.235 0.000 2.056 234 L HA -0.153 4.193 4.340 0.010 0.000 0.207 234 L C 2.083 178.994 176.870 0.069 0.000 1.078 234 L CA 1.658 56.613 54.840 0.191 0.000 0.749 234 L CB -0.700 41.483 42.059 0.207 0.000 0.901 234 L HN 0.315 nan 8.230 nan 0.000 0.433 235 I N -0.632 119.953 120.570 0.024 0.000 2.286 235 I HA -0.304 3.873 4.170 0.010 0.000 0.248 235 I C 2.298 178.352 176.117 -0.104 0.000 1.115 235 I CA 1.423 62.708 61.300 -0.025 0.000 1.392 235 I CB -0.419 37.567 38.000 -0.024 0.000 1.065 235 I HN 0.272 nan 8.210 nan 0.000 0.418 236 K N -0.534 119.740 120.400 -0.209 0.000 2.116 236 K HA -0.036 4.291 4.320 0.010 0.000 0.203 236 K C 1.580 177.842 176.600 -0.564 0.000 1.052 236 K CA 0.909 56.934 56.287 -0.437 0.000 0.952 236 K CB 0.083 32.191 32.500 -0.653 0.000 0.729 236 K HN 0.430 nan 8.250 nan 0.000 0.446 237 H N -1.038 117.879 119.070 -0.255 0.000 3.170 237 H HA 0.196 4.757 4.556 0.009 0.000 0.264 237 H C 0.841 176.137 175.328 -0.053 0.000 1.113 237 H CA 0.576 56.493 56.048 -0.219 0.000 1.194 237 H CB 1.168 30.645 29.762 -0.475 0.000 1.553 237 H HN 0.304 nan 8.280 nan 0.000 0.538 238 G N 1.630 110.487 108.800 0.095 0.000 2.782 238 G HA2 -0.285 3.681 3.960 0.010 0.000 0.228 238 G HA3 -0.285 3.681 3.960 0.010 0.000 0.228 238 G C -0.743 174.301 174.900 0.239 0.000 1.372 238 G CA -0.312 44.881 45.100 0.154 0.000 0.862 238 G HN 0.267 nan 8.290 nan 0.000 0.547 239 F N 2.109 122.123 119.950 0.106 0.000 2.413 239 F HA 0.578 5.112 4.527 0.011 0.000 0.359 239 F C 0.675 176.542 175.800 0.112 0.000 1.122 239 F CA -0.427 57.639 58.000 0.110 0.000 1.160 239 F CB 0.724 39.767 39.000 0.071 0.000 1.146 239 F HN 0.495 nan 8.300 nan 0.000 0.514 240 Q N 3.457 123.033 119.800 -0.373 0.000 2.240 240 Q HA 0.188 4.534 4.340 0.010 0.000 0.260 240 Q C -0.539 175.200 176.000 -0.436 0.000 1.018 240 Q CA -1.038 54.625 55.803 -0.233 0.000 0.898 240 Q CB 1.168 29.893 28.738 -0.021 0.000 1.301 240 Q HN 0.571 nan 8.270 nan 0.000 0.469 241 N N 1.174 119.754 118.700 -0.200 0.000 2.427 241 N HA -0.019 4.727 4.740 0.010 0.000 0.269 241 N C 0.372 175.775 175.510 -0.179 0.000 1.235 241 N CA 0.436 53.394 53.050 -0.154 0.000 0.934 241 N CB 0.414 38.876 38.487 -0.042 0.000 1.121 241 N HN 0.414 nan 8.380 nan 0.000 0.480 242 R N 1.386 121.756 120.500 -0.216 0.000 2.153 242 R HA -0.060 4.286 4.340 0.010 0.000 0.218 242 R C 2.062 178.284 176.300 -0.129 0.000 1.072 242 R CA 1.204 57.179 56.100 -0.208 0.000 0.990 242 R CB 0.008 30.185 30.300 -0.205 0.000 0.889 242 R HN 0.675 nan 8.270 nan 0.000 0.452 243 S N 1.089 116.748 115.700 -0.067 0.000 2.383 243 S HA -0.077 4.399 4.470 0.010 0.000 0.227 243 S C 2.016 176.606 174.600 -0.016 0.000 1.026 243 S CA 0.783 58.976 58.200 -0.011 0.000 0.981 243 S CB -0.354 62.867 63.200 0.035 0.000 0.818 243 S HN 0.204 nan 8.310 nan 0.000 0.472 244 L N 0.273 121.480 121.223 -0.027 0.000 2.083 244 L HA -0.009 4.337 4.340 0.010 0.000 0.209 244 L C 2.649 179.467 176.870 -0.085 0.000 1.083 244 L CA 0.912 55.738 54.840 -0.023 0.000 0.752 244 L CB -0.621 41.470 42.059 0.053 0.000 0.899 244 L HN 0.312 nan 8.230 nan 0.000 0.433 245 L N -0.609 120.545 121.223 -0.115 0.000 2.042 245 L HA -0.236 4.110 4.340 0.010 0.000 0.210 245 L C 2.540 179.330 176.870 -0.135 0.000 1.076 245 L CA 1.816 56.556 54.840 -0.167 0.000 0.749 245 L CB -0.389 41.478 42.059 -0.320 0.000 0.893 245 L HN 0.172 nan 8.230 nan 0.000 0.432 246 M N -1.578 117.944 119.600 -0.130 0.000 2.108 246 M HA -0.258 4.228 4.480 0.010 0.000 0.261 246 M C 2.461 178.732 176.300 -0.048 0.000 1.066 246 M CA 1.615 56.859 55.300 -0.094 0.000 1.107 246 M CB -1.685 30.813 32.600 -0.170 0.000 1.356 246 M HN 0.408 nan 8.290 nan 0.000 0.406 247 C N 0.006 119.218 119.300 -0.147 0.000 2.446 247 C HA -0.150 4.316 4.460 0.010 0.000 0.277 247 C C 2.743 177.452 174.990 -0.468 0.000 1.275 247 C CA 0.655 59.425 59.018 -0.413 0.000 1.727 247 C CB -1.064 26.092 27.740 -0.974 0.000 2.010 247 C HN 0.579 nan 8.230 nan 0.000 0.486 248 Q N -0.400 119.226 119.800 -0.290 0.000 2.050 248 Q HA -0.244 4.102 4.340 0.010 0.000 0.202 248 Q C 2.064 178.096 176.000 0.053 0.000 0.980 248 Q CA 2.053 57.843 55.803 -0.021 0.000 0.840 248 Q CB -0.316 28.462 28.738 0.067 0.000 0.898 248 Q HN 0.785 nan 8.270 nan 0.000 0.424 249 H N 0.412 119.473 119.070 -0.016 0.000 2.321 249 H HA -0.129 4.433 4.556 0.010 0.000 0.300 249 H C 1.801 177.173 175.328 0.073 0.000 1.087 249 H CA 1.426 57.526 56.048 0.087 0.000 1.319 249 H CB -0.207 29.598 29.762 0.072 0.000 1.379 249 H HN 0.179 nan 8.280 nan 0.000 0.501 250 L N 0.964 122.194 121.223 0.012 0.000 2.012 250 L HA -0.140 4.206 4.340 0.010 0.000 0.210 250 L C 2.322 179.167 176.870 -0.041 0.000 1.073 250 L CA 2.312 57.139 54.840 -0.022 0.000 0.748 250 L CB -0.941 41.158 42.059 0.065 0.000 0.891 250 L HN 0.492 nan 8.230 nan 0.000 0.431 251 E N -1.057 119.130 120.200 -0.022 0.000 2.085 251 E HA -0.244 4.112 4.350 0.010 0.000 0.194 251 E C 2.204 178.767 176.600 -0.062 0.000 0.994 251 E CA 0.879 57.287 56.400 0.012 0.000 0.801 251 E CB 0.021 29.799 29.700 0.130 0.000 0.743 251 E HN 0.375 nan 8.360 nan 0.000 0.453 252 R N 0.153 120.572 120.500 -0.136 0.000 2.081 252 R HA -0.113 4.234 4.340 0.010 0.000 0.235 252 R C 2.412 178.590 176.300 -0.204 0.000 1.131 252 R CA 1.016 56.952 56.100 -0.273 0.000 0.960 252 R CB -0.897 29.012 30.300 -0.653 0.000 0.856 252 R HN 0.204 nan 8.270 nan 0.000 0.436 253 V N 1.667 121.480 119.914 -0.169 0.000 2.358 253 V HA -0.189 3.937 4.120 0.010 0.000 0.246 253 V C 2.525 178.533 176.094 -0.142 0.000 1.047 253 V CA 1.433 63.665 62.300 -0.113 0.000 1.035 253 V CB -0.480 31.282 31.823 -0.102 0.000 0.658 253 V HN 0.192 nan 8.190 nan 0.000 0.452 254 L N -0.226 120.940 121.223 -0.093 0.000 2.083 254 L HA -0.178 4.168 4.340 0.010 0.000 0.209 254 L C 2.359 179.165 176.870 -0.106 0.000 1.083 254 L CA 1.441 56.236 54.840 -0.075 0.000 0.752 254 L CB -0.756 41.295 42.059 -0.015 0.000 0.899 254 L HN 0.334 nan 8.230 nan 0.000 0.433 255 D N 0.336 120.674 120.400 -0.104 0.000 2.117 255 D HA -0.156 4.490 4.640 0.010 0.000 0.197 255 D C 2.264 178.485 176.300 -0.131 0.000 0.987 255 D CA 1.269 55.209 54.000 -0.100 0.000 0.829 255 D CB -0.078 40.666 40.800 -0.093 0.000 0.961 255 D HN 0.311 nan 8.370 nan 0.000 0.460 256 I N 1.109 121.570 120.570 -0.181 0.000 2.179 256 I HA -0.257 3.920 4.170 0.010 0.000 0.242 256 I C 2.490 178.380 176.117 -0.379 0.000 1.088 256 I CA 1.059 62.232 61.300 -0.212 0.000 1.357 256 I CB -0.225 37.643 38.000 -0.220 0.000 1.051 256 I HN -0.076 nan 8.210 nan 0.000 0.409 257 A N 0.541 122.961 122.820 -0.666 0.000 1.908 257 A HA -0.268 4.058 4.320 0.010 0.000 0.218 257 A C 1.955 179.502 177.584 -0.062 0.000 1.181 257 A CA 2.230 53.903 52.037 -0.607 0.000 0.627 257 A CB -0.682 18.124 19.000 -0.323 0.000 0.818 257 A HN 0.357 nan 8.150 nan 0.000 0.445 258 D N -0.541 119.816 120.400 -0.071 0.000 2.123 258 D HA -0.170 4.476 4.640 0.010 0.000 0.196 258 D C 1.852 178.124 176.300 -0.047 0.000 0.992 258 D CA 1.604 55.588 54.000 -0.026 0.000 0.833 258 D CB -0.289 40.485 40.800 -0.044 0.000 0.954 258 D HN 0.619 nan 8.370 nan 0.000 0.455 259 K N -0.457 119.882 120.400 -0.103 0.000 2.152 259 K HA -0.173 4.153 4.320 0.010 0.000 0.206 259 K C 1.126 177.492 176.600 -0.389 0.000 1.048 259 K CA 1.115 57.249 56.287 -0.255 0.000 0.933 259 K CB -0.055 32.252 32.500 -0.322 0.000 0.721 259 K HN 0.227 nan 8.250 nan 0.000 0.447 260 Y N -0.999 119.328 120.300 0.045 0.000 2.458 260 Y HA 0.240 4.795 4.550 0.008 0.000 0.256 260 Y C 1.194 177.165 175.900 0.120 0.000 1.159 260 Y CA 0.261 58.454 58.100 0.155 0.000 1.261 260 Y CB 1.315 39.983 38.460 0.346 0.000 1.119 260 Y HN 0.278 nan 8.280 nan 0.000 0.524 261 G N -0.299 108.579 108.800 0.129 0.000 2.141 261 G HA2 -0.294 3.672 3.960 0.010 0.000 0.242 261 G HA3 -0.294 3.672 3.960 0.010 0.000 0.242 261 G C -0.098 174.784 174.900 -0.031 0.000 0.982 261 G CA -0.447 44.655 45.100 0.004 0.000 0.662 261 G HN 0.197 nan 8.290 nan 0.000 0.527 262 F N 1.312 121.321 119.950 0.098 0.000 2.384 262 F HA 0.495 5.027 4.527 0.008 0.000 0.338 262 F C 0.808 176.653 175.800 0.075 0.000 1.103 262 F CA -0.651 57.423 58.000 0.124 0.000 1.157 262 F CB 0.916 40.077 39.000 0.268 0.000 1.167 262 F HN -0.069 nan 8.300 nan 0.000 0.529 263 N N 2.010 120.853 118.700 0.238 0.000 2.430 263 N HA 0.382 5.128 4.740 0.010 0.000 0.292 263 N C -1.351 174.268 175.510 0.183 0.000 1.051 263 N CA -0.260 52.885 53.050 0.159 0.000 0.917 263 N CB 1.672 40.212 38.487 0.088 0.000 1.164 263 N HN 0.444 nan 8.380 nan 0.000 0.484 264 C N 1.055 120.434 119.300 0.131 0.000 2.435 264 C HA 0.477 4.943 4.460 0.010 0.000 0.333 264 C C 0.203 175.220 174.990 0.044 0.000 1.202 264 C CA -0.738 58.340 59.018 0.100 0.000 1.830 264 C CB 1.346 29.151 27.740 0.108 0.000 2.326 264 C HN 0.561 nan 8.230 nan 0.000 0.507 265 Q N 2.127 121.917 119.800 -0.017 0.000 2.351 265 Q HA 0.839 5.185 4.340 0.010 0.000 0.273 265 Q C -0.778 175.150 176.000 -0.120 0.000 1.077 265 Q CA -0.505 55.258 55.803 -0.066 0.000 0.843 265 Q CB 2.246 30.895 28.738 -0.149 0.000 1.367 265 Q HN 0.843 nan 8.270 nan 0.000 0.449 266 M N -1.322 118.219 119.600 -0.097 0.000 2.520 266 M HA 0.527 5.014 4.480 0.010 0.000 0.283 266 M C -1.882 174.390 176.300 -0.046 0.000 1.237 266 M CA -0.879 54.350 55.300 -0.118 0.000 0.885 266 M CB 1.726 34.376 32.600 0.083 0.000 1.727 266 M HN 0.560 nan 8.290 nan 0.000 0.468 267 W N 1.364 122.789 121.300 0.207 0.000 2.181 267 W HA 0.342 5.009 4.660 0.011 0.000 0.335 267 W C 1.353 178.081 176.519 0.348 0.000 1.310 267 W CA 0.028 57.557 57.345 0.307 0.000 1.226 267 W CB 0.499 30.097 29.460 0.229 0.000 1.155 267 W HN 0.877 nan 8.180 nan 0.000 0.565 268 S N -0.221 115.906 115.700 0.713 0.000 2.548 268 S HA -0.151 4.325 4.470 0.010 0.000 0.215 268 S C 1.250 176.123 174.600 0.455 0.000 0.976 268 S CA 0.564 59.156 58.200 0.653 0.000 0.908 268 S CB -0.310 63.405 63.200 0.857 0.000 0.781 268 S HN 0.649 nan 8.310 nan 0.000 0.519 269 D N 1.888 122.320 120.400 0.054 0.000 2.182 269 D HA -0.165 4.481 4.640 0.010 0.000 0.201 269 D C 1.703 177.963 176.300 -0.067 0.000 0.986 269 D CA 0.855 54.523 54.000 -0.553 0.000 0.847 269 D CB -0.318 39.904 40.800 -0.963 0.000 0.942 269 D HN 0.320 nan 8.370 nan 0.000 0.467 270 M N -0.160 119.410 119.600 -0.050 0.000 2.296 270 M HA 0.007 4.493 4.480 0.010 0.000 0.265 270 M C 1.820 178.046 176.300 -0.123 0.000 1.064 270 M CA 0.550 55.781 55.300 -0.115 0.000 1.109 270 M CB -0.959 31.501 32.600 -0.233 0.000 1.396 270 M HN -0.018 nan 8.290 nan 0.000 0.430 271 F N -0.435 119.576 119.950 0.102 0.000 2.186 271 F HA -0.138 4.395 4.527 0.010 0.000 0.299 271 F C 2.074 177.805 175.800 -0.115 0.000 1.090 271 F CA 1.192 59.172 58.000 -0.033 0.000 1.307 271 F CB -1.078 37.867 39.000 -0.093 0.000 1.019 271 F HN 0.009 nan 8.300 nan 0.000 0.489 272 F N 0.467 120.506 119.950 0.148 0.000 2.163 272 F HA -0.089 4.444 4.527 0.010 0.000 0.297 272 F C 2.203 178.040 175.800 0.061 0.000 1.094 272 F CA 1.209 59.266 58.000 0.095 0.000 1.290 272 F CB -0.780 38.315 39.000 0.158 0.000 1.017 272 F HN -0.179 nan 8.300 nan 0.000 0.483 273 K N 0.234 120.764 120.400 0.215 0.000 2.097 273 K HA -0.091 4.235 4.320 0.010 0.000 0.205 273 K C 1.850 178.492 176.600 0.070 0.000 1.050 273 K CA 1.192 57.548 56.287 0.115 0.000 0.938 273 K CB -0.379 32.171 32.500 0.085 0.000 0.718 273 K HN 0.273 nan 8.250 nan 0.000 0.442 274 L N 0.139 121.394 121.223 0.052 0.000 2.478 274 L HA 0.042 4.389 4.340 0.010 0.000 0.223 274 L C 1.623 178.512 176.870 0.031 0.000 1.140 274 L CA 0.548 55.406 54.840 0.030 0.000 0.842 274 L CB 0.039 42.098 42.059 0.000 0.000 0.953 274 L HN 0.198 nan 8.230 nan 0.000 0.452 275 M N -1.136 118.481 119.600 0.028 0.000 2.502 275 M HA 0.169 4.655 4.480 0.010 0.000 0.351 275 M C 0.146 176.452 176.300 0.009 0.000 1.118 275 M CA -0.105 55.197 55.300 0.003 0.000 0.952 275 M CB 0.826 33.402 32.600 -0.039 0.000 1.424 275 M HN 0.091 nan 8.290 nan 0.000 0.529 276 S N -0.628 115.096 115.700 0.040 0.000 2.578 276 S HA 0.737 5.213 4.470 0.010 0.000 0.301 276 S C 0.882 175.503 174.600 0.036 0.000 1.091 276 S CA -0.505 57.724 58.200 0.048 0.000 1.032 276 S CB 2.188 65.438 63.200 0.083 0.000 1.064 276 S HN 0.240 nan 8.310 nan 0.000 0.508 277 A N 0.820 123.657 122.820 0.028 0.000 2.014 277 A HA 0.009 4.336 4.320 0.010 0.000 0.218 277 A C 1.485 179.078 177.584 0.015 0.000 1.163 277 A CA 1.175 53.225 52.037 0.021 0.000 0.652 277 A CB -0.609 18.400 19.000 0.016 0.000 0.808 277 A HN 0.858 nan 8.150 nan 0.000 0.449 278 D N -1.046 119.363 120.400 0.015 0.000 2.333 278 D HA 0.158 4.805 4.640 0.010 0.000 0.208 278 D C 1.343 177.642 176.300 -0.001 0.000 0.984 278 D CA 1.091 55.093 54.000 0.004 0.000 0.873 278 D CB 0.015 40.816 40.800 0.001 0.000 0.935 278 D HN 0.556 nan 8.370 nan 0.000 0.521 279 G N 1.430 110.239 108.800 0.014 0.000 2.176 279 G HA2 -0.237 3.729 3.960 0.010 0.000 0.252 279 G HA3 -0.237 3.729 3.960 0.010 0.000 0.252 279 G C 0.216 175.117 174.900 0.000 0.000 1.024 279 G CA 0.153 45.257 45.100 0.007 0.000 0.755 279 G HN 0.161 nan 8.290 nan 0.000 0.507 280 Q N -1.881 117.942 119.800 0.038 0.000 2.378 280 Q HA 0.561 4.907 4.340 0.010 0.000 0.276 280 Q C 0.703 176.793 176.000 0.150 0.000 1.083 280 Q CA -1.088 54.746 55.803 0.053 0.000 0.856 280 Q CB 0.732 29.483 28.738 0.021 0.000 1.383 280 Q HN 0.135 nan 8.270 nan 0.000 0.458 281 Y N 1.138 121.410 120.300 -0.045 0.000 2.176 281 Y HA -0.067 4.490 4.550 0.011 0.000 0.291 281 Y C 0.721 176.500 175.900 -0.202 0.000 1.122 281 Y CA 1.135 59.161 58.100 -0.124 0.000 1.128 281 Y CB 0.114 38.416 38.460 -0.263 0.000 1.005 281 Y HN 0.624 nan 8.280 nan 0.000 0.509 282 D N 2.010 122.353 120.400 -0.095 0.000 2.767 282 D HA 0.109 4.756 4.640 0.010 0.000 0.231 282 D C -0.612 175.642 176.300 -0.076 0.000 1.105 282 D CA 0.231 54.110 54.000 -0.203 0.000 1.024 282 D CB -0.459 40.244 40.800 -0.162 0.000 1.123 282 D HN 0.046 nan 8.370 nan 0.000 0.470 283 R N 1.072 121.571 120.500 -0.002 0.000 2.774 283 R HA 0.303 4.649 4.340 0.010 0.000 0.272 283 R C -0.586 175.802 176.300 0.146 0.000 1.000 283 R CA -0.758 55.386 56.100 0.073 0.000 0.906 283 R CB 0.970 31.331 30.300 0.101 0.000 1.227 283 R HN 0.145 nan 8.270 nan 0.000 0.468 284 D N 1.106 121.562 120.400 0.093 0.000 2.357 284 D HA 0.259 4.906 4.640 0.010 0.000 0.242 284 D C 0.158 176.502 176.300 0.073 0.000 1.153 284 D CA -0.032 54.020 54.000 0.087 0.000 0.918 284 D CB 0.983 41.811 40.800 0.047 0.000 1.181 284 D HN 0.233 nan 8.370 nan 0.000 0.435 285 V N -1.981 117.943 119.914 0.017 0.000 2.604 285 V HA 0.438 4.565 4.120 0.010 0.000 0.305 285 V C -0.200 175.866 176.094 -0.045 0.000 1.043 285 V CA -0.922 61.346 62.300 -0.054 0.000 0.888 285 V CB 2.041 33.725 31.823 -0.231 0.000 0.995 285 V HN 0.322 nan 8.190 nan 0.000 0.429 286 E N 3.988 124.169 120.200 -0.032 0.000 2.035 286 E HA 0.473 4.829 4.350 0.010 0.000 0.271 286 E C -0.958 175.623 176.600 -0.032 0.000 0.953 286 E CA -0.332 56.056 56.400 -0.021 0.000 0.777 286 E CB 1.572 31.270 29.700 -0.003 0.000 1.104 286 E HN 0.693 nan 8.360 nan 0.000 0.408 287 I N 5.734 126.279 120.570 -0.042 0.000 2.291 287 I HA 0.189 4.366 4.170 0.010 0.000 0.292 287 I C -1.980 174.127 176.117 -0.017 0.000 1.064 287 I CA -2.025 59.249 61.300 -0.043 0.000 1.269 287 I CB 0.442 38.402 38.000 -0.067 0.000 1.418 287 I HN 0.178 nan 8.210 nan 0.000 0.485 288 P HA -0.043 nan 4.420 nan 0.000 0.266 288 P C 0.852 178.158 177.300 0.011 0.000 1.193 288 P CA -0.053 63.053 63.100 0.010 0.000 0.770 288 P CB 0.753 32.465 31.700 0.020 0.000 0.836 289 E N 1.616 121.823 120.200 0.013 0.000 2.070 289 E HA -0.298 4.058 4.350 0.010 0.000 0.197 289 E C 1.556 178.168 176.600 0.020 0.000 1.004 289 E CA 1.444 57.851 56.400 0.012 0.000 0.805 289 E CB 0.027 29.733 29.700 0.011 0.000 0.744 289 E HN 0.584 nan 8.360 nan 0.000 0.451 290 E N -0.829 119.389 120.200 0.030 0.000 2.150 290 E HA -0.135 4.221 4.350 0.010 0.000 0.193 290 E C 1.771 178.419 176.600 0.081 0.000 0.985 290 E CA 1.523 57.950 56.400 0.045 0.000 0.814 290 E CB 0.113 29.842 29.700 0.048 0.000 0.752 290 E HN 0.225 nan 8.360 nan 0.000 0.466 291 T N 0.467 115.063 114.554 0.070 0.000 2.904 291 T HA -0.104 4.252 4.350 0.010 0.000 0.267 291 T C 1.755 176.490 174.700 0.058 0.000 1.059 291 T CA 0.945 63.094 62.100 0.081 0.000 1.137 291 T CB -0.161 68.733 68.868 0.043 0.000 0.879 291 T HN 0.178 nan 8.240 nan 0.000 0.467 292 R N 0.921 121.435 120.500 0.024 0.000 2.083 292 R HA -0.096 4.251 4.340 0.010 0.000 0.237 292 R C 2.206 178.521 176.300 0.024 0.000 1.137 292 R CA 1.366 57.467 56.100 0.002 0.000 0.951 292 R CB -0.579 29.718 30.300 -0.005 0.000 0.851 292 R HN 0.232 nan 8.270 nan 0.000 0.434 293 V N 0.182 120.119 119.914 0.038 0.000 2.358 293 V HA -0.252 3.874 4.120 0.010 0.000 0.246 293 V C 2.032 178.165 176.094 0.065 0.000 1.047 293 V CA 1.837 64.153 62.300 0.027 0.000 1.035 293 V CB -0.667 31.156 31.823 -0.000 0.000 0.658 293 V HN 0.405 nan 8.190 nan 0.000 0.452 294 Y N -0.203 120.086 120.300 -0.018 0.000 2.163 294 Y HA -0.200 4.355 4.550 0.009 0.000 0.288 294 Y C 2.433 178.315 175.900 -0.030 0.000 1.136 294 Y CA 1.291 59.384 58.100 -0.013 0.000 1.147 294 Y CB 0.064 38.527 38.460 0.004 0.000 0.987 294 Y HN 0.135 nan 8.280 nan 0.000 0.509 295 L N -0.208 121.094 121.223 0.132 0.000 2.042 295 L HA -0.289 4.058 4.340 0.010 0.000 0.210 295 L C 1.942 178.807 176.870 -0.009 0.000 1.076 295 L CA 1.325 56.146 54.840 -0.032 0.000 0.749 295 L CB -0.553 41.413 42.059 -0.157 0.000 0.893 295 L HN 0.258 nan 8.230 nan 0.000 0.432 296 D N -0.070 120.338 120.400 0.013 0.000 2.149 296 D HA -0.191 4.456 4.640 0.010 0.000 0.198 296 D C 2.236 178.552 176.300 0.025 0.000 0.990 296 D CA 1.255 55.261 54.000 0.010 0.000 0.839 296 D CB -0.012 40.792 40.800 0.007 0.000 0.948 296 D HN 0.466 nan 8.370 nan 0.000 0.460 297 R N 0.264 120.795 120.500 0.052 0.000 2.127 297 R HA 0.060 4.406 4.340 0.010 0.000 0.217 297 R C 2.320 178.661 176.300 0.068 0.000 1.074 297 R CA 0.541 56.672 56.100 0.052 0.000 0.991 297 R CB -0.641 29.680 30.300 0.036 0.000 0.895 297 R HN 0.176 nan 8.270 nan 0.000 0.450 298 L N 1.992 123.272 121.223 0.094 0.000 2.240 298 L HA -0.007 4.340 4.340 0.010 0.000 0.211 298 L C 2.570 179.463 176.870 0.039 0.000 1.106 298 L CA 1.240 56.126 54.840 0.075 0.000 0.793 298 L CB -0.417 41.689 42.059 0.079 0.000 0.927 298 L HN 0.303 nan 8.230 nan 0.000 0.446 299 K N -0.027 120.381 120.400 0.014 0.000 2.211 299 K HA -0.178 4.148 4.320 0.010 0.000 0.204 299 K C 1.381 178.004 176.600 0.039 0.000 1.047 299 K CA 1.218 57.513 56.287 0.013 0.000 0.935 299 K CB -0.140 32.360 32.500 -0.001 0.000 0.728 299 K HN 0.222 nan 8.250 nan 0.000 0.452 300 E N 0.988 121.210 120.200 0.037 0.000 2.418 300 E HA -0.067 4.289 4.350 0.010 0.000 0.197 300 E C 1.303 177.928 176.600 0.042 0.000 1.026 300 E CA 0.718 57.141 56.400 0.038 0.000 0.862 300 E CB 0.149 29.867 29.700 0.029 0.000 0.799 300 E HN 0.472 nan 8.360 nan 0.000 0.518 301 R N -0.132 120.395 120.500 0.046 0.000 2.437 301 R HA 0.256 4.602 4.340 0.010 0.000 0.257 301 R C 0.052 176.387 176.300 0.059 0.000 0.927 301 R CA -0.024 56.105 56.100 0.048 0.000 1.078 301 R CB 1.650 31.977 30.300 0.044 0.000 1.161 301 R HN -0.137 nan 8.270 nan 0.000 0.529 302 V N 0.451 120.405 119.914 0.067 0.000 2.969 302 V HA 0.304 4.430 4.120 0.010 0.000 0.304 302 V C -1.221 174.928 176.094 0.092 0.000 1.192 302 V CA -0.532 61.816 62.300 0.080 0.000 0.962 302 V CB 2.579 34.460 31.823 0.097 0.000 1.045 302 V HN 0.007 nan 8.190 nan 0.000 0.428 303 T N 7.370 121.978 114.554 0.089 0.000 2.743 303 T HA 0.529 4.885 4.350 0.010 0.000 0.293 303 T C -0.173 174.610 174.700 0.138 0.000 0.945 303 T CA -0.114 62.050 62.100 0.107 0.000 1.030 303 T CB 0.556 69.472 68.868 0.080 0.000 0.912 303 T HN 0.501 nan 8.240 nan 0.000 0.483 304 L N 3.558 124.906 121.223 0.208 0.000 2.305 304 L HA 0.440 4.786 4.340 0.010 0.000 0.281 304 L C -0.162 176.894 176.870 0.309 0.000 1.085 304 L CA -0.855 54.167 54.840 0.304 0.000 0.813 304 L CB 0.949 43.251 42.059 0.405 0.000 1.157 304 L HN 0.328 nan 8.230 nan 0.000 0.436 305 V N 3.562 123.674 119.914 0.329 0.000 2.328 305 V HA 0.118 4.245 4.120 0.010 0.000 0.278 305 V C -0.456 175.963 176.094 0.542 0.000 1.021 305 V CA -0.646 61.859 62.300 0.342 0.000 0.838 305 V CB 0.930 32.868 31.823 0.193 0.000 0.999 305 V HN 0.433 nan 8.190 nan 0.000 0.447 306 Y N 7.449 127.863 120.300 0.190 0.000 2.486 306 Y HA 0.391 4.947 4.550 0.010 0.000 0.348 306 Y C -0.182 175.717 175.900 -0.001 0.000 1.000 306 Y CA -1.922 56.159 58.100 -0.031 0.000 1.253 306 Y CB 0.463 38.490 38.460 -0.721 0.000 1.140 306 Y HN 0.721 nan 8.280 nan 0.000 0.526 307 W N 6.938 128.186 121.300 -0.087 0.000 2.520 307 W HA 0.621 5.287 4.660 0.010 0.000 0.323 307 W C -1.444 174.635 176.519 -0.733 0.000 1.062 307 W CA -0.980 56.040 57.345 -0.542 0.000 1.215 307 W CB 1.619 30.903 29.460 -0.293 0.000 1.340 307 W HN 0.528 nan 8.180 nan 0.000 0.516 308 D N 3.260 123.149 120.400 -0.852 0.000 2.688 308 D HA 0.147 4.793 4.640 0.010 0.000 0.210 308 D C -1.193 174.941 176.300 -0.277 0.000 1.333 308 D CA -0.400 53.320 54.000 -0.466 0.000 0.920 308 D CB 0.813 41.530 40.800 -0.138 0.000 1.554 308 D HN 0.323 nan 8.370 nan 0.000 0.579 309 Y N 2.285 122.533 120.300 -0.086 0.000 2.531 309 Y HA 0.253 4.809 4.550 0.010 0.000 0.249 309 Y C 0.591 176.694 175.900 0.338 0.000 1.168 309 Y CA -0.199 57.941 58.100 0.066 0.000 1.226 309 Y CB 0.082 38.455 38.460 -0.145 0.000 1.177 309 Y HN 0.355 nan 8.280 nan 0.000 0.527 310 Y N -1.473 119.296 120.300 0.781 0.000 2.512 310 Y HA 0.237 4.793 4.550 0.010 0.000 0.268 310 Y C 0.696 176.859 175.900 0.439 0.000 1.102 310 Y CA -0.809 57.709 58.100 0.697 0.000 1.261 310 Y CB 0.228 39.001 38.460 0.521 0.000 1.250 310 Y HN -0.198 nan 8.280 nan 0.000 0.506 311 Q N 2.125 122.121 119.800 0.326 0.000 2.327 311 Q HA 0.082 4.428 4.340 0.010 0.000 0.254 311 Q C 0.089 176.176 176.000 0.144 0.000 0.952 311 Q CA 0.174 55.979 55.803 0.003 0.000 0.884 311 Q CB 1.036 29.356 28.738 -0.698 0.000 1.224 311 Q HN 0.488 nan 8.270 nan 0.000 0.422 312 D N -1.055 119.413 120.400 0.114 0.000 2.340 312 D HA -0.008 4.638 4.640 0.010 0.000 0.217 312 D C -0.260 176.107 176.300 0.111 0.000 1.081 312 D CA -0.209 53.859 54.000 0.113 0.000 0.842 312 D CB 0.328 41.188 40.800 0.100 0.000 0.934 312 D HN 0.262 nan 8.370 nan 0.000 0.511 313 S N -1.435 114.333 115.700 0.113 0.000 2.548 313 S HA 0.273 4.749 4.470 0.010 0.000 0.276 313 S C 0.737 175.466 174.600 0.215 0.000 1.129 313 S CA -0.774 57.501 58.200 0.125 0.000 0.931 313 S CB 2.371 65.613 63.200 0.071 0.000 1.068 313 S HN -0.017 nan 8.310 nan 0.000 0.480 314 E N 1.635 121.970 120.200 0.226 0.000 2.114 314 E HA -0.265 4.091 4.350 0.010 0.000 0.199 314 E C 1.460 178.205 176.600 0.242 0.000 1.008 314 E CA 2.113 58.674 56.400 0.268 0.000 0.810 314 E CB -0.122 29.665 29.700 0.145 0.000 0.739 314 E HN 0.818 nan 8.360 nan 0.000 0.456 315 E N 0.978 121.263 120.200 0.143 0.000 2.118 315 E HA -0.222 4.135 4.350 0.010 0.000 0.195 315 E C 1.917 178.569 176.600 0.087 0.000 0.992 315 E CA 1.178 57.642 56.400 0.107 0.000 0.804 315 E CB -0.376 29.366 29.700 0.069 0.000 0.741 315 E HN 0.341 nan 8.360 nan 0.000 0.458 316 K N 0.186 120.606 120.400 0.033 0.000 2.057 316 K HA -0.100 4.226 4.320 0.010 0.000 0.207 316 K C 2.231 178.799 176.600 -0.054 0.000 1.049 316 K CA 1.437 57.688 56.287 -0.061 0.000 0.931 316 K CB -0.333 32.073 32.500 -0.157 0.000 0.714 316 K HN 0.154 nan 8.250 nan 0.000 0.440 317 Y N 1.264 121.647 120.300 0.138 0.000 2.200 317 Y HA -0.163 4.393 4.550 0.010 0.000 0.290 317 Y C 1.948 177.990 175.900 0.236 0.000 1.137 317 Y CA 1.270 59.492 58.100 0.203 0.000 1.163 317 Y CB -0.451 38.151 38.460 0.236 0.000 0.988 317 Y HN 0.168 nan 8.280 nan 0.000 0.518 318 N N 0.028 118.965 118.700 0.396 0.000 2.094 318 N HA -0.260 4.486 4.740 0.010 0.000 0.191 318 N C 1.973 177.603 175.510 0.199 0.000 1.023 318 N CA 1.218 54.464 53.050 0.328 0.000 0.857 318 N CB -0.241 38.368 38.487 0.203 0.000 1.013 318 N HN 0.266 nan 8.380 nan 0.000 0.426 319 R N 1.347 121.907 120.500 0.100 0.000 2.091 319 R HA -0.109 4.237 4.340 0.010 0.000 0.238 319 R C 1.482 177.758 176.300 -0.040 0.000 1.136 319 R CA 1.862 57.982 56.100 0.033 0.000 0.959 319 R CB -0.142 30.160 30.300 0.003 0.000 0.856 319 R HN 0.320 nan 8.270 nan 0.000 0.437 320 N N -0.861 117.737 118.700 -0.169 0.000 2.188 320 N HA -0.102 4.644 4.740 0.010 0.000 0.184 320 N C 1.378 176.614 175.510 -0.457 0.000 1.018 320 N CA 1.293 54.060 53.050 -0.471 0.000 0.858 320 N CB -0.136 37.785 38.487 -0.943 0.000 0.989 320 N HN 0.090 nan 8.380 nan 0.000 0.426 321 F N 1.738 121.504 119.950 -0.306 0.000 2.126 321 F HA -0.159 4.374 4.527 0.010 0.000 0.299 321 F C 2.474 178.031 175.800 -0.405 0.000 1.096 321 F CA 1.198 58.986 58.000 -0.353 0.000 1.255 321 F CB -0.516 38.370 39.000 -0.190 0.000 0.997 321 F HN 0.068 nan 8.300 nan 0.000 0.479 322 Q N -0.014 119.822 119.800 0.060 0.000 2.061 322 Q HA -0.239 4.108 4.340 0.010 0.000 0.204 322 Q C 1.922 177.998 176.000 0.127 0.000 0.984 322 Q CA 1.997 57.884 55.803 0.139 0.000 0.846 322 Q CB -0.555 28.271 28.738 0.147 0.000 0.902 322 Q HN 0.563 nan 8.270 nan 0.000 0.421 323 N N -0.617 118.147 118.700 0.106 0.000 2.120 323 N HA -0.175 4.572 4.740 0.010 0.000 0.188 323 N C 1.593 177.235 175.510 0.219 0.000 1.024 323 N CA 0.922 54.073 53.050 0.168 0.000 0.852 323 N CB -0.101 38.534 38.487 0.248 0.000 1.003 323 N HN 0.266 nan 8.380 nan 0.000 0.424 324 H N -0.201 118.953 119.070 0.139 0.000 2.387 324 H HA -0.046 4.516 4.556 0.010 0.000 0.299 324 H C 1.423 176.850 175.328 0.165 0.000 1.099 324 H CA 1.360 57.534 56.048 0.209 0.000 1.315 324 H CB -0.206 29.584 29.762 0.048 0.000 1.380 324 H HN 0.455 nan 8.280 nan 0.000 0.513 325 H N -0.003 119.233 119.070 0.278 0.000 2.518 325 H HA -0.060 4.502 4.556 0.010 0.000 0.289 325 H C 1.774 177.162 175.328 0.101 0.000 1.051 325 H CA 0.518 56.673 56.048 0.179 0.000 1.280 325 H CB 0.242 30.100 29.762 0.161 0.000 1.380 325 H HN 0.300 nan 8.280 nan 0.000 0.566 326 K N 0.189 120.697 120.400 0.180 0.000 2.147 326 K HA -0.097 4.229 4.320 0.010 0.000 0.205 326 K C 1.500 178.111 176.600 0.019 0.000 1.049 326 K CA 0.892 57.222 56.287 0.071 0.000 0.936 326 K CB 0.301 32.810 32.500 0.015 0.000 0.722 326 K HN 0.326 nan 8.250 nan 0.000 0.446 327 I N -0.867 119.709 120.570 0.010 0.000 2.556 327 I HA 0.010 4.186 4.170 0.010 0.000 0.251 327 I C 0.941 177.065 176.117 0.011 0.000 1.105 327 I CA 0.505 61.770 61.300 -0.058 0.000 1.436 327 I CB 0.095 37.996 38.000 -0.165 0.000 1.139 327 I HN -0.103 nan 8.210 nan 0.000 0.438 328 S N -0.482 115.285 115.700 0.110 0.000 2.537 328 S HA 0.308 4.784 4.470 0.010 0.000 0.271 328 S C 0.060 174.799 174.600 0.233 0.000 1.148 328 S CA -0.487 57.794 58.200 0.136 0.000 0.868 328 S CB 1.594 64.869 63.200 0.124 0.000 1.115 328 S HN 0.058 nan 8.310 nan 0.000 0.461 329 Q N 1.248 121.148 119.800 0.165 0.000 2.424 329 Q HA 0.130 4.477 4.340 0.010 0.000 0.204 329 Q C -0.271 175.847 176.000 0.197 0.000 0.933 329 Q CA 0.511 56.409 55.803 0.160 0.000 0.929 329 Q CB -0.215 28.551 28.738 0.047 0.000 1.037 329 Q HN 0.654 nan 8.270 nan 0.000 0.511 330 D N 0.934 121.445 120.400 0.185 0.000 2.524 330 D HA 0.143 4.789 4.640 0.010 0.000 0.222 330 D C -0.853 175.584 176.300 0.228 0.000 1.142 330 D CA -0.144 53.961 54.000 0.175 0.000 0.973 330 D CB -0.046 40.829 40.800 0.126 0.000 1.025 330 D HN -0.131 nan 8.370 nan 0.000 0.519 331 I N 2.425 123.167 120.570 0.287 0.000 2.389 331 I HA 0.487 4.663 4.170 0.010 0.000 0.288 331 I C 0.555 176.867 176.117 0.326 0.000 0.999 331 I CA -1.191 60.313 61.300 0.340 0.000 1.129 331 I CB 0.619 38.878 38.000 0.432 0.000 1.288 331 I HN 0.219 nan 8.210 nan 0.000 0.444 332 A N 6.441 129.427 122.820 0.276 0.000 2.269 332 A HA 0.741 5.067 4.320 0.010 0.000 0.319 332 A C -1.109 176.670 177.584 0.325 0.000 1.110 332 A CA -0.399 51.781 52.037 0.239 0.000 0.847 332 A CB 1.017 20.092 19.000 0.125 0.000 1.161 332 A HN 0.584 nan 8.150 nan 0.000 0.497 333 F N 0.682 120.689 119.950 0.096 0.000 2.495 333 F HA 0.624 5.158 4.527 0.011 0.000 0.327 333 F C 0.137 175.916 175.800 -0.035 0.000 1.103 333 F CA -0.499 57.524 58.000 0.039 0.000 0.949 333 F CB 1.620 40.678 39.000 0.097 0.000 1.142 333 F HN 0.665 nan 8.300 nan 0.000 0.457 334 A N 4.470 126.791 122.820 -0.831 0.000 2.258 334 A HA 0.700 5.026 4.320 0.010 0.000 0.316 334 A C -0.079 176.948 177.584 -0.928 0.000 1.279 334 A CA -0.092 51.603 52.037 -0.571 0.000 0.876 334 A CB 0.218 19.259 19.000 0.068 0.000 1.170 334 A HN 1.029 nan 8.150 nan 0.000 0.520 335 G N 0.776 109.284 108.800 -0.486 0.000 2.521 335 G HA2 0.604 4.570 3.960 0.010 0.000 0.323 335 G HA3 0.604 4.570 3.960 0.010 0.000 0.323 335 G C 0.072 175.198 174.900 0.376 0.000 1.211 335 G CA -0.259 44.904 45.100 0.105 0.000 0.979 335 G HN 1.143 nan 8.290 nan 0.000 0.490 336 G N -1.363 107.814 108.800 0.629 0.000 2.461 336 G HA2 0.646 4.612 3.960 0.010 0.000 0.323 336 G HA3 0.646 4.612 3.960 0.010 0.000 0.323 336 G C -0.492 174.676 174.900 0.446 0.000 1.229 336 G CA -0.006 45.310 45.100 0.360 0.000 0.941 336 G HN 1.062 nan 8.290 nan 0.000 0.477 337 A N 2.034 125.039 122.820 0.308 0.000 2.412 337 A HA 0.502 4.829 4.320 0.010 0.000 0.334 337 A C -0.780 176.891 177.584 0.146 0.000 1.419 337 A CA -0.748 51.471 52.037 0.303 0.000 0.930 337 A CB -0.050 19.110 19.000 0.267 0.000 1.149 337 A HN 0.646 nan 8.150 nan 0.000 0.515 338 W N 2.645 123.869 121.300 -0.127 0.000 2.812 338 W HA 0.289 4.955 4.660 0.011 0.000 0.376 338 W C 1.113 177.385 176.519 -0.412 0.000 1.309 338 W CA 0.350 57.291 57.345 -0.673 0.000 1.479 338 W CB 0.426 29.638 29.460 -0.413 0.000 1.595 338 W HN 0.724 nan 8.180 nan 0.000 0.508 339 K N 2.006 122.253 120.400 -0.254 0.000 2.734 339 K HA 0.193 4.519 4.320 0.010 0.000 0.200 339 K C -0.066 176.621 176.600 0.144 0.000 1.120 339 K CA -0.564 55.741 56.287 0.030 0.000 1.067 339 K CB -0.624 31.952 32.500 0.127 0.000 0.771 339 K HN 0.423 nan 8.250 nan 0.000 0.481 340 W N 1.421 122.785 121.300 0.107 0.000 2.771 340 W HA 0.404 5.070 4.660 0.011 0.000 0.412 340 W C 0.152 176.738 176.519 0.113 0.000 0.965 340 W CA -0.947 56.437 57.345 0.066 0.000 2.045 340 W CB -0.162 29.286 29.460 -0.020 0.000 1.176 340 W HN 0.113 nan 8.180 nan 0.000 0.634 341 I N -1.076 119.567 120.570 0.123 0.000 3.424 341 I HA 0.859 5.035 4.170 0.010 0.000 0.339 341 I C 0.708 176.915 176.117 0.150 0.000 1.549 341 I CA 0.041 61.439 61.300 0.164 0.000 1.049 341 I CB -0.027 38.067 38.000 0.156 0.000 1.439 341 I HN 0.206 nan 8.210 nan 0.000 0.500 342 G N 1.857 110.730 108.800 0.121 0.000 2.637 342 G HA2 -0.209 3.757 3.960 0.010 0.000 0.211 342 G HA3 -0.209 3.757 3.960 0.010 0.000 0.211 342 G C -0.222 174.631 174.900 -0.078 0.000 1.213 342 G CA 0.023 45.164 45.100 0.068 0.000 1.207 342 G HN 0.165 nan 8.290 nan 0.000 0.559 343 F N 2.173 122.192 119.950 0.116 0.000 2.731 343 F HA 0.415 4.949 4.527 0.011 0.000 0.298 343 F C 1.230 177.111 175.800 0.135 0.000 1.106 343 F CA 1.086 59.187 58.000 0.168 0.000 1.329 343 F CB 1.176 40.278 39.000 0.171 0.000 1.100 343 F HN 0.297 nan 8.300 nan 0.000 0.592 344 T N 2.884 117.571 114.554 0.221 0.000 2.848 344 T HA 0.327 4.683 4.350 0.010 0.000 0.285 344 T C -2.519 172.235 174.700 0.090 0.000 0.995 344 T CA -1.502 60.674 62.100 0.127 0.000 0.970 344 T CB 2.561 71.476 68.868 0.079 0.000 0.976 344 T HN -0.258 nan 8.240 nan 0.000 0.441 345 P HA 0.245 nan 4.420 nan 0.000 0.289 345 P C -0.778 176.584 177.300 0.103 0.000 1.299 345 P CA -0.397 62.761 63.100 0.098 0.000 0.766 345 P CB 0.857 32.622 31.700 0.108 0.000 1.226 346 H N 0.520 119.649 119.070 0.099 0.000 2.429 346 H HA 0.239 4.801 4.556 0.010 0.000 0.231 346 H C 0.785 176.211 175.328 0.163 0.000 1.416 346 H CA -0.276 55.832 56.048 0.100 0.000 1.443 346 H CB -0.374 29.374 29.762 -0.023 0.000 1.591 346 H HN 0.296 nan 8.280 nan 0.000 0.507 347 N N 0.509 119.381 118.700 0.286 0.000 2.166 347 N HA -0.139 4.607 4.740 0.010 0.000 0.186 347 N C 1.043 176.673 175.510 0.200 0.000 1.019 347 N CA 0.915 54.084 53.050 0.199 0.000 0.856 347 N CB 0.232 38.749 38.487 0.050 0.000 0.993 347 N HN 0.604 nan 8.380 nan 0.000 0.426 348 H N 0.003 119.202 119.070 0.215 0.000 2.290 348 H HA -0.085 4.478 4.556 0.010 0.000 0.298 348 H C 1.729 177.158 175.328 0.167 0.000 1.087 348 H CA 1.521 57.685 56.048 0.194 0.000 1.291 348 H CB -0.467 29.422 29.762 0.211 0.000 1.369 348 H HN 0.178 nan 8.280 nan 0.000 0.492 349 F N 1.018 121.066 119.950 0.163 0.000 2.171 349 F HA -0.199 4.334 4.527 0.010 0.000 0.300 349 F C 2.371 178.092 175.800 -0.131 0.000 1.090 349 F CA 1.199 59.027 58.000 -0.287 0.000 1.293 349 F CB -0.309 38.077 39.000 -1.025 0.000 1.013 349 F HN -0.013 nan 8.300 nan 0.000 0.486 350 S N 0.455 116.198 115.700 0.072 0.000 2.365 350 S HA -0.283 4.193 4.470 0.010 0.000 0.225 350 S C 2.094 176.720 174.600 0.043 0.000 1.039 350 S CA 1.583 59.910 58.200 0.211 0.000 1.033 350 S CB -0.521 62.902 63.200 0.371 0.000 0.887 350 S HN 0.437 nan 8.310 nan 0.000 0.447 351 R N 0.921 121.421 120.500 0.000 0.000 2.083 351 R HA -0.073 4.273 4.340 0.010 0.000 0.237 351 R C 2.436 178.653 176.300 -0.137 0.000 1.137 351 R CA 1.489 57.550 56.100 -0.065 0.000 0.951 351 R CB -0.526 29.758 30.300 -0.027 0.000 0.851 351 R HN 0.444 nan 8.270 nan 0.000 0.434 352 L N 0.826 121.944 121.223 -0.176 0.000 2.012 352 L HA -0.176 4.170 4.340 0.010 0.000 0.210 352 L C 2.326 179.067 176.870 -0.214 0.000 1.073 352 L CA 1.955 56.671 54.840 -0.207 0.000 0.748 352 L CB -0.232 41.659 42.059 -0.279 0.000 0.891 352 L HN 0.272 nan 8.230 nan 0.000 0.431 353 V N -2.852 116.881 119.914 -0.301 0.000 2.591 353 V HA -0.007 4.119 4.120 0.010 0.000 0.249 353 V C 2.549 178.638 176.094 -0.008 0.000 1.053 353 V CA 1.193 63.450 62.300 -0.072 0.000 1.068 353 V CB -1.412 30.425 31.823 0.022 0.000 0.689 353 V HN 0.420 nan 8.190 nan 0.000 0.462 354 A N 1.021 123.764 122.820 -0.127 0.000 1.933 354 A HA -0.085 4.241 4.320 0.010 0.000 0.218 354 A C 2.193 179.453 177.584 -0.541 0.000 1.175 354 A CA 2.185 53.932 52.037 -0.484 0.000 0.628 354 A CB -0.725 17.722 19.000 -0.923 0.000 0.814 354 A HN 0.571 nan 8.150 nan 0.000 0.444 355 I N -0.331 120.045 120.570 -0.323 0.000 2.208 355 I HA -0.253 3.923 4.170 0.010 0.000 0.245 355 I C 2.466 178.492 176.117 -0.152 0.000 1.097 355 I CA 1.479 62.645 61.300 -0.224 0.000 1.363 355 I CB -0.249 37.670 38.000 -0.136 0.000 1.051 355 I HN 0.309 nan 8.210 nan 0.000 0.413 356 E N 0.651 120.802 120.200 -0.081 0.000 2.112 356 E HA -0.081 4.276 4.350 0.010 0.000 0.190 356 E C 2.344 178.888 176.600 -0.092 0.000 0.979 356 E CA 1.220 57.630 56.400 0.017 0.000 0.814 356 E CB -0.294 29.515 29.700 0.181 0.000 0.762 356 E HN 0.468 nan 8.360 nan 0.000 0.460 357 A N 1.898 124.519 122.820 -0.331 0.000 1.902 357 A HA -0.253 4.073 4.320 0.010 0.000 0.217 357 A C 2.064 179.477 177.584 -0.285 0.000 1.181 357 A CA 1.972 53.586 52.037 -0.705 0.000 0.623 357 A CB -0.802 17.919 19.000 -0.464 0.000 0.818 357 A HN 0.287 nan 8.150 nan 0.000 0.443 358 N N -0.198 118.405 118.700 -0.162 0.000 2.104 358 N HA -0.186 4.560 4.740 0.010 0.000 0.190 358 N C 1.591 177.116 175.510 0.025 0.000 1.024 358 N CA 2.106 55.170 53.050 0.024 0.000 0.853 358 N CB -0.276 38.144 38.487 -0.112 0.000 1.008 358 N HN 0.550 nan 8.380 nan 0.000 0.424 359 K N -0.240 120.137 120.400 -0.039 0.000 2.032 359 K HA -0.089 4.237 4.320 0.010 0.000 0.209 359 K C 2.087 178.677 176.600 -0.017 0.000 1.048 359 K CA 1.480 57.758 56.287 -0.015 0.000 0.927 359 K CB -0.303 32.197 32.500 0.000 0.000 0.712 359 K HN 0.297 nan 8.250 nan 0.000 0.441 360 A N 0.904 123.707 122.820 -0.028 0.000 1.898 360 A HA -0.162 4.165 4.320 0.010 0.000 0.216 360 A C 2.405 179.859 177.584 -0.216 0.000 1.181 360 A CA 1.400 53.426 52.037 -0.018 0.000 0.620 360 A CB -0.927 18.178 19.000 0.175 0.000 0.819 360 A HN 0.426 nan 8.150 nan 0.000 0.442 361 C N -1.002 118.176 119.300 -0.203 0.000 2.429 361 C HA -0.069 4.397 4.460 0.010 0.000 0.277 361 C C 2.875 177.846 174.990 -0.032 0.000 1.262 361 C CA 1.114 60.006 59.018 -0.211 0.000 1.733 361 C CB -1.349 26.383 27.740 -0.013 0.000 2.010 361 C HN 0.616 nan 8.230 nan 0.000 0.483 362 R N 1.016 121.547 120.500 0.052 0.000 2.073 362 R HA -0.146 4.200 4.340 0.010 0.000 0.234 362 R C 2.323 178.591 176.300 -0.054 0.000 1.134 362 R CA 1.421 57.521 56.100 -0.001 0.000 0.952 362 R CB -0.367 29.916 30.300 -0.028 0.000 0.850 362 R HN 0.527 nan 8.270 nan 0.000 0.433 363 K N 0.754 121.113 120.400 -0.068 0.000 2.152 363 K HA -0.150 4.176 4.320 0.010 0.000 0.206 363 K C 0.631 177.182 176.600 -0.081 0.000 1.048 363 K CA 1.793 58.046 56.287 -0.058 0.000 0.933 363 K CB 0.005 32.487 32.500 -0.031 0.000 0.721 363 K HN 0.156 nan 8.250 nan 0.000 0.447 364 N N 0.735 119.324 118.700 -0.185 0.000 2.268 364 N HA 0.042 4.789 4.740 0.010 0.000 0.204 364 N C -0.820 174.622 175.510 -0.113 0.000 1.124 364 N CA -0.040 52.892 53.050 -0.196 0.000 0.838 364 N CB 0.666 38.794 38.487 -0.599 0.000 0.994 364 N HN 0.135 nan 8.380 nan 0.000 0.489 365 Q N -0.868 118.890 119.800 -0.069 0.000 2.481 365 Q HA -0.166 4.180 4.340 0.010 0.000 0.272 365 Q C -0.736 175.290 176.000 0.043 0.000 1.157 365 Q CA 0.149 55.946 55.803 -0.009 0.000 0.935 365 Q CB -1.967 26.764 28.738 -0.012 0.000 1.338 365 Q HN 0.170 nan 8.270 nan 0.000 0.494 366 V N 0.678 120.623 119.914 0.052 0.000 2.673 366 V HA -0.113 4.013 4.120 0.010 0.000 0.303 366 V C 1.413 177.644 176.094 0.227 0.000 1.046 366 V CA 1.170 63.548 62.300 0.130 0.000 1.126 366 V CB 1.168 33.047 31.823 0.094 0.000 0.934 366 V HN 0.306 nan 8.190 nan 0.000 0.487 367 K N 2.343 122.851 120.400 0.181 0.000 2.334 367 K HA 0.189 4.516 4.320 0.010 0.000 0.195 367 K C 0.532 177.236 176.600 0.172 0.000 1.045 367 K CA 0.369 56.762 56.287 0.177 0.000 1.004 367 K CB 0.507 33.077 32.500 0.117 0.000 0.837 367 K HN 0.750 nan 8.250 nan 0.000 0.510 368 E N 0.768 121.030 120.200 0.103 0.000 2.275 368 E HA 0.295 4.651 4.350 0.010 0.000 0.270 368 E C -1.693 174.856 176.600 -0.086 0.000 0.882 368 E CA -0.654 55.759 56.400 0.021 0.000 0.758 368 E CB 1.938 31.658 29.700 0.034 0.000 1.195 368 E HN -0.228 nan 8.360 nan 0.000 0.419 369 V N 5.493 125.270 119.914 -0.228 0.000 2.540 369 V HA 0.466 4.592 4.120 0.010 0.000 0.302 369 V C -0.504 175.445 176.094 -0.242 0.000 1.035 369 V CA -0.660 61.445 62.300 -0.325 0.000 0.873 369 V CB 1.592 32.995 31.823 -0.699 0.000 0.992 369 V HN 0.605 nan 8.190 nan 0.000 0.428 370 I N 4.984 125.424 120.570 -0.217 0.000 2.355 370 I HA 0.395 4.571 4.170 0.010 0.000 0.288 370 I C -0.231 175.758 176.117 -0.213 0.000 0.999 370 I CA -0.482 60.726 61.300 -0.153 0.000 1.163 370 I CB 1.883 39.823 38.000 -0.101 0.000 1.316 370 I HN 0.276 nan 8.210 nan 0.000 0.454 371 V N 5.183 125.015 119.914 -0.136 0.000 2.385 371 V HA 0.328 4.454 4.120 0.010 0.000 0.269 371 V C 0.466 176.531 176.094 -0.048 0.000 1.043 371 V CA -0.484 61.762 62.300 -0.089 0.000 0.906 371 V CB 0.966 32.840 31.823 0.086 0.000 0.995 371 V HN 0.831 nan 8.190 nan 0.000 0.467 372 T N 1.364 115.810 114.554 -0.179 0.000 2.767 372 T HA 0.607 4.963 4.350 0.010 0.000 0.284 372 T C 0.409 174.835 174.700 -0.458 0.000 0.973 372 T CA -0.337 61.415 62.100 -0.580 0.000 0.996 372 T CB 1.591 69.892 68.868 -0.944 0.000 0.927 372 T HN 0.810 nan 8.240 nan 0.000 0.456 373 G N 2.967 111.476 108.800 -0.484 0.000 4.477 373 G HA2 0.438 4.405 3.960 0.010 0.000 0.319 373 G HA3 0.438 4.405 3.960 0.010 0.000 0.319 373 G C -0.241 174.544 174.900 -0.192 0.000 1.391 373 G CA -1.132 43.924 45.100 -0.073 0.000 1.261 373 G HN 0.773 nan 8.290 nan 0.000 0.556 374 W N 0.080 121.293 121.300 -0.145 0.000 2.073 374 W HA 0.408 5.073 4.660 0.010 0.000 0.358 374 W C 1.166 177.713 176.519 0.047 0.000 1.321 374 W CA 0.375 57.556 57.345 -0.273 0.000 1.317 374 W CB 0.965 29.925 29.460 -0.834 0.000 1.226 374 W HN 0.322 nan 8.180 nan 0.000 0.622 375 G N 0.267 109.235 108.800 0.279 0.000 4.424 375 G HA2 0.063 4.029 3.960 0.010 0.000 0.287 375 G HA3 0.063 4.029 3.960 0.010 0.000 0.287 375 G C -0.921 174.096 174.900 0.195 0.000 1.023 375 G CA -0.620 44.621 45.100 0.235 0.000 0.790 375 G HN 0.367 nan 8.290 nan 0.000 0.468 376 D N 1.338 121.844 120.400 0.176 0.000 3.277 376 D HA -0.137 4.509 4.640 0.010 0.000 0.203 376 D C 1.123 177.494 176.300 0.119 0.000 1.057 376 D CA 1.188 55.246 54.000 0.096 0.000 0.751 376 D CB 0.124 40.985 40.800 0.101 0.000 1.155 376 D HN 0.490 nan 8.370 nan 0.000 0.536 377 N N 1.311 120.062 118.700 0.086 0.000 2.816 377 N HA -0.229 4.518 4.740 0.010 0.000 0.247 377 N C 0.668 176.219 175.510 0.067 0.000 1.100 377 N CA 0.813 53.916 53.050 0.090 0.000 0.687 377 N CB -1.093 37.472 38.487 0.129 0.000 1.003 377 N HN 0.832 nan 8.380 nan 0.000 0.554 378 G N -1.372 107.467 108.800 0.066 0.000 2.260 378 G HA2 0.052 4.018 3.960 0.010 0.000 0.179 378 G HA3 0.052 4.018 3.960 0.010 0.000 0.179 378 G C 0.774 175.769 174.900 0.158 0.000 1.002 378 G CA 0.703 45.836 45.100 0.056 0.000 0.677 378 G HN 1.454 nan 8.290 nan 0.000 0.486 379 G N 0.104 108.999 108.800 0.158 0.000 2.273 379 G HA2 -0.247 3.719 3.960 0.010 0.000 0.280 379 G HA3 -0.247 3.719 3.960 0.010 0.000 0.280 379 G C 0.616 175.680 174.900 0.273 0.000 1.047 379 G CA 1.248 46.469 45.100 0.201 0.000 0.869 379 G HN 0.801 nan 8.290 nan 0.000 0.502 380 E N -0.554 119.698 120.200 0.087 0.000 2.427 380 E HA 0.032 4.388 4.350 0.010 0.000 0.196 380 E C 1.085 177.749 176.600 0.107 0.000 1.028 380 E CA 0.843 57.191 56.400 -0.088 0.000 0.864 380 E CB 0.177 29.247 29.700 -1.050 0.000 0.813 380 E HN 0.506 nan 8.360 nan 0.000 0.514 381 T N 0.644 115.272 114.554 0.123 0.000 2.845 381 T HA 0.131 4.487 4.350 0.010 0.000 0.288 381 T C 0.009 174.809 174.700 0.167 0.000 0.980 381 T CA -0.444 61.761 62.100 0.175 0.000 1.071 381 T CB 1.605 70.551 68.868 0.130 0.000 0.941 381 T HN -0.036 nan 8.240 nan 0.000 0.487 382 S N 2.163 117.961 115.700 0.164 0.000 2.558 382 S HA -0.064 4.412 4.470 0.010 0.000 0.291 382 S C 1.542 176.191 174.600 0.081 0.000 1.306 382 S CA -0.270 58.002 58.200 0.120 0.000 1.056 382 S CB 0.383 63.637 63.200 0.090 0.000 0.836 382 S HN 0.628 nan 8.310 nan 0.000 0.504 383 Q N 3.078 122.895 119.800 0.028 0.000 2.291 383 Q HA -0.063 4.284 4.340 0.010 0.000 0.205 383 Q C 0.711 176.520 176.000 -0.317 0.000 0.970 383 Q CA 1.451 57.164 55.803 -0.150 0.000 0.876 383 Q CB -0.164 28.399 28.738 -0.292 0.000 0.935 383 Q HN 0.900 nan 8.270 nan 0.000 0.455 384 F N 0.041 120.065 119.950 0.124 0.000 2.664 384 F HA 0.065 4.598 4.527 0.011 0.000 0.303 384 F C 2.105 177.976 175.800 0.118 0.000 1.092 384 F CA 0.117 58.193 58.000 0.126 0.000 1.305 384 F CB 0.174 39.334 39.000 0.267 0.000 1.054 384 F HN -0.020 nan 8.300 nan 0.000 0.565 385 S N -0.075 115.739 115.700 0.190 0.000 2.419 385 S HA -0.136 4.340 4.470 0.010 0.000 0.233 385 S C 1.470 176.189 174.600 0.198 0.000 1.016 385 S CA 1.270 59.573 58.200 0.172 0.000 0.974 385 S CB -0.894 62.367 63.200 0.101 0.000 0.786 385 S HN 0.254 nan 8.310 nan 0.000 0.492 386 V N -1.386 118.584 119.914 0.095 0.000 3.121 386 V HA 0.453 4.580 4.120 0.010 0.000 0.344 386 V C 1.401 177.464 176.094 -0.052 0.000 1.390 386 V CA -0.316 62.009 62.300 0.042 0.000 1.177 386 V CB -0.877 30.978 31.823 0.054 0.000 1.163 386 V HN 0.375 nan 8.190 nan 0.000 0.484 387 L N 0.165 121.312 121.223 -0.127 0.000 2.043 387 L HA -0.071 4.275 4.340 0.010 0.000 0.212 387 L C 0.052 176.944 176.870 0.035 0.000 1.075 387 L CA 2.073 56.821 54.840 -0.154 0.000 0.752 387 L CB -1.766 40.069 42.059 -0.374 0.000 0.891 387 L HN 0.393 nan 8.230 nan 0.000 0.432 388 P HA -0.185 nan 4.420 nan 0.000 0.215 388 P C 1.577 178.955 177.300 0.130 0.000 1.157 388 P CA 1.874 64.899 63.100 -0.126 0.000 0.868 388 P CB -0.028 31.384 31.700 -0.479 0.000 0.788 389 A N -0.570 122.312 122.820 0.103 0.000 1.917 389 A HA -0.203 4.123 4.320 0.010 0.000 0.219 389 A C 2.228 179.987 177.584 0.291 0.000 1.182 389 A CA 1.654 53.813 52.037 0.204 0.000 0.633 389 A CB -1.742 17.395 19.000 0.229 0.000 0.819 389 A HN 0.120 nan 8.150 nan 0.000 0.448 390 L N -1.473 119.873 121.223 0.204 0.000 2.093 390 L HA -0.209 4.137 4.340 0.010 0.000 0.208 390 L C 2.849 179.968 176.870 0.415 0.000 1.085 390 L CA 1.681 56.679 54.840 0.263 0.000 0.755 390 L CB -0.523 41.482 42.059 -0.090 0.000 0.904 390 L HN 0.473 nan 8.230 nan 0.000 0.435 391 Q N 0.706 120.706 119.800 0.333 0.000 2.084 391 Q HA -0.178 4.168 4.340 0.010 0.000 0.202 391 Q C 2.083 178.236 176.000 0.255 0.000 0.978 391 Q CA 1.671 57.672 55.803 0.330 0.000 0.844 391 Q CB -0.173 28.814 28.738 0.417 0.000 0.898 391 Q HN 0.435 nan 8.270 nan 0.000 0.426 392 I N -1.106 119.596 120.570 0.220 0.000 2.127 392 I HA -0.287 3.890 4.170 0.010 0.000 0.241 392 I C 1.751 177.945 176.117 0.128 0.000 1.075 392 I CA 1.469 62.830 61.300 0.102 0.000 1.334 392 I CB -0.352 37.688 38.000 0.066 0.000 1.040 392 I HN 0.355 nan 8.210 nan 0.000 0.405 393 W N 0.548 121.959 121.300 0.186 0.000 2.342 393 W HA -0.235 4.432 4.660 0.011 0.000 0.297 393 W C 2.692 179.298 176.519 0.145 0.000 1.213 393 W CA 1.357 58.812 57.345 0.183 0.000 1.251 393 W CB -0.248 29.355 29.460 0.238 0.000 1.136 393 W HN 0.124 nan 8.180 nan 0.000 0.526 394 A N 0.040 123.090 122.820 0.382 0.000 1.877 394 A HA -0.218 4.109 4.320 0.010 0.000 0.216 394 A C 1.861 179.636 177.584 0.317 0.000 1.186 394 A CA 1.758 53.950 52.037 0.258 0.000 0.620 394 A CB -0.670 18.447 19.000 0.196 0.000 0.822 394 A HN 0.169 nan 8.150 nan 0.000 0.443 395 E N 0.196 120.533 120.200 0.229 0.000 2.077 395 E HA -0.146 4.211 4.350 0.010 0.000 0.193 395 E C 2.074 178.766 176.600 0.153 0.000 0.989 395 E CA 0.970 57.477 56.400 0.179 0.000 0.800 395 E CB -0.528 29.223 29.700 0.086 0.000 0.746 395 E HN 0.684 nan 8.360 nan 0.000 0.452 396 L N 0.451 121.747 121.223 0.123 0.000 2.046 396 L HA -0.161 4.185 4.340 0.010 0.000 0.208 396 L C 2.542 179.506 176.870 0.155 0.000 1.077 396 L CA 1.201 56.087 54.840 0.076 0.000 0.747 396 L CB -0.560 41.462 42.059 -0.061 0.000 0.896 396 L HN 0.065 nan 8.230 nan 0.000 0.432 397 A N -0.854 122.139 122.820 0.288 0.000 1.902 397 A HA -0.222 4.104 4.320 0.010 0.000 0.217 397 A C 1.975 179.498 177.584 -0.103 0.000 1.181 397 A CA 1.580 53.731 52.037 0.190 0.000 0.623 397 A CB -0.659 18.530 19.000 0.316 0.000 0.818 397 A HN 0.389 nan 8.150 nan 0.000 0.443 398 Y N -1.590 118.734 120.300 0.040 0.000 2.436 398 Y HA 0.150 4.706 4.550 0.010 0.000 0.288 398 Y C 2.455 178.353 175.900 -0.004 0.000 1.112 398 Y CA 1.159 59.263 58.100 0.006 0.000 1.220 398 Y CB 0.266 38.736 38.460 0.016 0.000 1.073 398 Y HN 0.164 nan 8.280 nan 0.000 0.552 399 R N -1.116 119.469 120.500 0.141 0.000 2.517 399 R HA 0.101 4.447 4.340 0.010 0.000 0.265 399 R C 0.285 176.600 176.300 0.025 0.000 0.921 399 R CA 0.302 56.451 56.100 0.081 0.000 1.054 399 R CB 0.379 30.737 30.300 0.098 0.000 1.340 399 R HN 0.041 nan 8.270 nan 0.000 0.551 400 N N 1.656 120.363 118.700 0.012 0.000 2.741 400 N HA -0.194 4.553 4.740 0.010 0.000 0.251 400 N C -1.528 173.968 175.510 -0.022 0.000 1.112 400 N CA 1.800 54.840 53.050 -0.017 0.000 0.750 400 N CB -0.712 37.754 38.487 -0.034 0.000 1.119 400 N HN 0.609 nan 8.380 nan 0.000 0.561 401 D N -2.540 117.850 120.400 -0.016 0.000 2.665 401 D HA 0.363 5.009 4.640 0.010 0.000 0.287 401 D C -0.016 176.255 176.300 -0.048 0.000 1.266 401 D CA -0.732 53.246 54.000 -0.036 0.000 0.830 401 D CB 0.013 40.794 40.800 -0.032 0.000 1.356 401 D HN -0.009 nan 8.370 nan 0.000 0.437 402 L N 0.293 121.468 121.223 -0.079 0.000 2.965 402 L HA 0.335 4.681 4.340 0.010 0.000 0.254 402 L C 1.509 178.287 176.870 -0.152 0.000 1.220 402 L CA -0.427 54.338 54.840 -0.126 0.000 1.023 402 L CB -0.066 41.906 42.059 -0.145 0.000 1.355 402 L HN 0.326 nan 8.230 nan 0.000 0.545 403 K N 0.494 120.826 120.400 -0.114 0.000 2.209 403 K HA -0.052 4.274 4.320 0.010 0.000 0.204 403 K C 1.010 177.506 176.600 -0.173 0.000 1.048 403 K CA 0.870 57.087 56.287 -0.116 0.000 0.940 403 K CB 0.187 32.642 32.500 -0.076 0.000 0.729 403 K HN 0.138 nan 8.250 nan 0.000 0.451 404 K N 0.739 120.995 120.400 -0.240 0.000 2.537 404 K HA 0.086 4.412 4.320 0.010 0.000 0.206 404 K C 1.249 177.543 176.600 -0.511 0.000 1.041 404 K CA 0.047 56.074 56.287 -0.433 0.000 1.090 404 K CB 0.844 32.969 32.500 -0.625 0.000 0.833 404 K HN -0.075 nan 8.250 nan 0.000 0.493 405 V N 0.827 120.514 119.914 -0.379 0.000 2.287 405 V HA -0.269 3.858 4.120 0.010 0.000 0.248 405 V C 1.862 177.701 176.094 -0.425 0.000 1.053 405 V CA 2.186 64.218 62.300 -0.446 0.000 1.027 405 V CB 0.019 31.404 31.823 -0.730 0.000 0.646 405 V HN 0.290 nan 8.190 nan 0.000 0.447 406 S N -0.382 115.082 115.700 -0.393 0.000 2.355 406 S HA -0.192 4.284 4.470 0.010 0.000 0.222 406 S C 1.750 176.365 174.600 0.024 0.000 1.031 406 S CA 1.751 59.879 58.200 -0.120 0.000 0.993 406 S CB -0.314 62.860 63.200 -0.043 0.000 0.859 406 S HN 0.726 nan 8.310 nan 0.000 0.453 407 E N 0.717 120.866 120.200 -0.086 0.000 2.051 407 E HA -0.134 4.222 4.350 0.010 0.000 0.192 407 E C 1.821 178.473 176.600 0.086 0.000 0.991 407 E CA 1.422 57.803 56.400 -0.032 0.000 0.799 407 E CB -0.292 29.331 29.700 -0.128 0.000 0.748 407 E HN 0.696 nan 8.360 nan 0.000 0.449 408 H N -1.654 117.437 119.070 0.035 0.000 2.395 408 H HA -0.035 4.528 4.556 0.011 0.000 0.299 408 H C 1.679 177.064 175.328 0.095 0.000 1.070 408 H CA 0.655 56.727 56.048 0.039 0.000 1.356 408 H CB -0.041 29.727 29.762 0.010 0.000 1.401 408 H HN 0.115 nan 8.280 nan 0.000 0.524 409 F N 1.131 121.140 119.950 0.099 0.000 2.216 409 F HA -0.169 4.364 4.527 0.010 0.000 0.300 409 F C 2.133 178.012 175.800 0.131 0.000 1.085 409 F CA 0.570 58.635 58.000 0.108 0.000 1.326 409 F CB -0.155 38.938 39.000 0.155 0.000 1.027 409 F HN 0.054 nan 8.300 nan 0.000 0.497 410 L N -0.265 121.097 121.223 0.233 0.000 2.083 410 L HA -0.164 4.182 4.340 0.010 0.000 0.209 410 L C 2.178 179.094 176.870 0.077 0.000 1.083 410 L CA 1.514 56.443 54.840 0.149 0.000 0.752 410 L CB -0.845 41.308 42.059 0.158 0.000 0.899 410 L HN 0.052 nan 8.230 nan 0.000 0.433 411 V N -1.278 118.686 119.914 0.084 0.000 2.307 411 V HA -0.247 3.879 4.120 0.010 0.000 0.245 411 V C 2.502 178.643 176.094 0.079 0.000 1.045 411 V CA 1.877 64.228 62.300 0.086 0.000 1.024 411 V CB -0.784 31.081 31.823 0.070 0.000 0.651 411 V HN 0.480 nan 8.190 nan 0.000 0.449 412 S N 0.246 115.925 115.700 -0.035 0.000 2.382 412 S HA -0.163 4.314 4.470 0.010 0.000 0.228 412 S C 1.962 176.542 174.600 -0.034 0.000 1.027 412 S CA 1.962 60.099 58.200 -0.105 0.000 0.991 412 S CB -0.254 62.822 63.200 -0.206 0.000 0.823 412 S HN 0.870 nan 8.310 nan 0.000 0.469 413 T N -3.574 110.868 114.554 -0.187 0.000 2.958 413 T HA 0.476 4.832 4.350 0.010 0.000 0.256 413 T C 1.465 176.246 174.700 0.135 0.000 0.983 413 T CA 0.876 62.948 62.100 -0.047 0.000 0.924 413 T CB 0.460 69.044 68.868 -0.474 0.000 1.136 413 T HN 0.549 nan 8.240 nan 0.000 0.506 414 G N 1.646 110.492 108.800 0.076 0.000 2.179 414 G HA2 -0.162 3.804 3.960 0.010 0.000 0.260 414 G HA3 -0.162 3.804 3.960 0.010 0.000 0.260 414 G C -0.135 174.847 174.900 0.136 0.000 0.977 414 G CA 0.551 45.710 45.100 0.099 0.000 0.641 414 G HN 1.190 nan 8.290 nan 0.000 0.533 415 L N -2.332 119.006 121.223 0.192 0.000 2.303 415 L HA 0.950 5.296 4.340 0.010 0.000 0.256 415 L C -0.338 176.772 176.870 0.400 0.000 1.034 415 L CA -1.204 53.794 54.840 0.264 0.000 0.832 415 L CB 1.316 43.546 42.059 0.285 0.000 1.403 415 L HN 0.017 nan 8.230 nan 0.000 0.419 416 D N 0.086 120.675 120.400 0.314 0.000 2.390 416 D HA 0.108 4.754 4.640 0.010 0.000 0.249 416 D C 0.719 177.251 176.300 0.388 0.000 1.144 416 D CA 0.124 54.312 54.000 0.314 0.000 0.880 416 D CB 0.634 41.536 40.800 0.170 0.000 1.182 416 D HN 0.541 nan 8.370 nan 0.000 0.451 417 F N 3.351 123.401 119.950 0.167 0.000 2.095 417 F HA -0.200 4.333 4.527 0.010 0.000 0.298 417 F C 1.629 177.353 175.800 -0.126 0.000 1.104 417 F CA 1.671 59.512 58.000 -0.265 0.000 1.232 417 F CB 0.068 38.863 39.000 -0.342 0.000 0.987 417 F HN 0.439 nan 8.300 nan 0.000 0.475 418 D N 0.096 120.514 120.400 0.029 0.000 2.178 418 D HA -0.152 4.494 4.640 0.010 0.000 0.202 418 D C 1.827 178.106 176.300 -0.035 0.000 0.974 418 D CA 1.320 55.285 54.000 -0.059 0.000 0.841 418 D CB -0.472 40.365 40.800 0.062 0.000 0.953 418 D HN 0.348 nan 8.370 nan 0.000 0.478 419 D N 0.087 120.503 120.400 0.027 0.000 2.097 419 D HA -0.138 4.508 4.640 0.010 0.000 0.195 419 D C 1.832 178.176 176.300 0.073 0.000 0.989 419 D CA 0.512 54.518 54.000 0.011 0.000 0.827 419 D CB -0.553 40.227 40.800 -0.033 0.000 0.966 419 D HN 0.207 nan 8.370 nan 0.000 0.456 420 F N 0.572 120.521 119.950 -0.002 0.000 2.171 420 F HA -0.158 4.376 4.527 0.010 0.000 0.300 420 F C 2.332 178.141 175.800 0.015 0.000 1.090 420 F CA 0.751 58.858 58.000 0.179 0.000 1.293 420 F CB 0.075 39.194 39.000 0.199 0.000 1.013 420 F HN -0.143 nan 8.300 nan 0.000 0.486 421 M N -0.039 119.547 119.600 -0.024 0.000 2.358 421 M HA -0.201 4.285 4.480 0.010 0.000 0.264 421 M C 1.734 178.109 176.300 0.125 0.000 1.064 421 M CA 1.316 56.540 55.300 -0.126 0.000 1.093 421 M CB -0.835 31.479 32.600 -0.477 0.000 1.401 421 M HN 0.045 nan 8.290 nan 0.000 0.440 422 K N 0.283 120.767 120.400 0.140 0.000 2.442 422 K HA -0.019 4.307 4.320 0.010 0.000 0.198 422 K C 1.777 178.457 176.600 0.133 0.000 1.042 422 K CA 0.586 56.957 56.287 0.140 0.000 0.958 422 K CB -0.555 32.010 32.500 0.107 0.000 0.766 422 K HN 0.422 nan 8.250 nan 0.000 0.474 423 I N 1.665 122.319 120.570 0.141 0.000 2.530 423 I HA -0.270 3.906 4.170 0.010 0.000 0.257 423 I C 0.679 176.789 176.117 -0.010 0.000 1.179 423 I CA 1.387 62.666 61.300 -0.034 0.000 1.440 423 I CB 0.055 37.911 38.000 -0.240 0.000 1.087 423 I HN 0.047 nan 8.210 nan 0.000 0.440 424 D N 0.605 121.022 120.400 0.029 0.000 2.348 424 D HA -0.093 4.554 4.640 0.010 0.000 0.216 424 D C 2.175 178.428 176.300 -0.079 0.000 0.970 424 D CA 0.613 54.585 54.000 -0.046 0.000 0.889 424 D CB -0.078 40.691 40.800 -0.052 0.000 0.912 424 D HN 0.385 nan 8.370 nan 0.000 0.524 425 L N 0.652 121.870 121.223 -0.008 0.000 2.081 425 L HA -0.207 4.139 4.340 0.010 0.000 0.212 425 L C 2.273 179.241 176.870 0.164 0.000 1.080 425 L CA 1.154 56.022 54.840 0.046 0.000 0.754 425 L CB -0.341 41.731 42.059 0.021 0.000 0.893 425 L HN 0.015 nan 8.230 nan 0.000 0.433 426 A N -0.632 122.265 122.820 0.128 0.000 2.225 426 A HA -0.141 4.185 4.320 0.010 0.000 0.215 426 A C 1.744 179.453 177.584 0.209 0.000 1.164 426 A CA 1.383 53.571 52.037 0.251 0.000 0.710 426 A CB -0.365 18.680 19.000 0.075 0.000 0.780 426 A HN 0.466 nan 8.150 nan 0.000 0.473 427 N N -0.748 117.966 118.700 0.023 0.000 2.250 427 N HA 0.163 4.909 4.740 0.010 0.000 0.190 427 N C 0.125 175.545 175.510 -0.150 0.000 1.116 427 N CA 0.198 53.205 53.050 -0.072 0.000 0.881 427 N CB 0.277 38.659 38.487 -0.175 0.000 1.006 427 N HN 0.408 nan 8.380 nan 0.000 0.491 428 L N 2.040 123.159 121.223 -0.174 0.000 2.648 428 L HA 0.306 4.652 4.340 0.010 0.000 0.238 428 L C 0.006 176.550 176.870 -0.544 0.000 1.316 428 L CA -0.213 54.461 54.840 -0.277 0.000 1.241 428 L CB -0.326 41.580 42.059 -0.255 0.000 1.499 428 L HN -0.105 nan 8.230 nan 0.000 0.411 429 L N 1.800 122.719 121.223 -0.507 0.000 2.514 429 L HA 0.092 4.438 4.340 0.010 0.000 0.280 429 L C -1.761 174.829 176.870 -0.466 0.000 1.223 429 L CA -1.654 52.803 54.840 -0.638 0.000 0.864 429 L CB -0.108 41.743 42.059 -0.346 0.000 1.118 429 L HN 0.114 nan 8.230 nan 0.000 0.494 430 P HA -0.022 nan 4.420 nan 0.000 0.265 430 P C -0.288 176.916 177.300 -0.160 0.000 1.187 430 P CA 0.323 63.279 63.100 -0.239 0.000 0.766 430 P CB 0.335 31.928 31.700 -0.178 0.000 0.820 431 D N -0.916 119.417 120.400 -0.112 0.000 2.911 431 D HA -0.157 4.489 4.640 0.010 0.000 0.199 431 D C -0.003 176.255 176.300 -0.071 0.000 1.041 431 D CA 0.638 54.593 54.000 -0.074 0.000 1.013 431 D CB -1.408 39.356 40.800 -0.060 0.000 1.093 431 D HN 0.334 nan 8.370 nan 0.000 0.431 432 L N 1.962 123.129 121.223 -0.093 0.000 2.462 432 L HA 0.179 4.525 4.340 0.010 0.000 0.272 432 L C -1.664 175.168 176.870 -0.063 0.000 1.166 432 L CA -1.095 53.693 54.840 -0.086 0.000 0.880 432 L CB 0.045 42.045 42.059 -0.099 0.000 1.142 432 L HN -0.287 nan 8.230 nan 0.000 0.473 433 P HA 0.005 nan 4.420 nan 0.000 0.264 433 P C -0.163 177.125 177.300 -0.021 0.000 1.193 433 P CA -0.130 62.949 63.100 -0.036 0.000 0.763 433 P CB 0.532 32.208 31.700 -0.040 0.000 0.810 434 D N 1.745 122.158 120.400 0.021 0.000 2.310 434 D HA -0.111 4.535 4.640 0.010 0.000 0.212 434 D C 1.158 177.545 176.300 0.144 0.000 0.965 434 D CA 1.031 55.072 54.000 0.070 0.000 0.879 434 D CB -0.240 40.603 40.800 0.071 0.000 0.921 434 D HN 0.465 nan 8.370 nan 0.000 0.510 435 N N 0.527 119.303 118.700 0.127 0.000 2.270 435 N HA -0.037 4.709 4.740 0.010 0.000 0.198 435 N C -0.009 175.668 175.510 0.278 0.000 1.117 435 N CA -0.027 53.162 53.050 0.232 0.000 0.845 435 N CB -0.082 38.490 38.487 0.141 0.000 0.980 435 N HN 0.128 nan 8.380 nan 0.000 0.486 436 L N 1.405 122.661 121.223 0.055 0.000 2.282 436 L HA 0.362 4.709 4.340 0.010 0.000 0.288 436 L C 0.471 177.073 176.870 -0.448 0.000 1.033 436 L CA -0.838 53.926 54.840 -0.126 0.000 0.807 436 L CB 1.518 43.316 42.059 -0.435 0.000 1.209 436 L HN 0.084 nan 8.230 nan 0.000 0.423 437 S N 0.923 116.369 115.700 -0.423 0.000 2.646 437 S HA 0.678 5.154 4.470 0.010 0.000 0.276 437 S C 0.966 175.341 174.600 -0.374 0.000 1.222 437 S CA 0.124 57.719 58.200 -1.008 0.000 1.014 437 S CB 1.675 64.517 63.200 -0.596 0.000 0.991 437 S HN 1.034 nan 8.310 nan 0.000 0.533 438 G N 0.758 109.265 108.800 -0.489 0.000 2.184 438 G HA2 -0.235 3.731 3.960 0.010 0.000 0.264 438 G HA3 -0.235 3.731 3.960 0.010 0.000 0.264 438 G C 0.006 174.933 174.900 0.046 0.000 0.975 438 G CA 0.198 45.315 45.100 0.029 0.000 0.642 438 G HN 0.863 nan 8.290 nan 0.000 0.536 439 I N 2.169 122.716 120.570 -0.038 0.000 2.494 439 I HA 0.187 4.363 4.170 0.010 0.000 0.289 439 I C 0.413 176.585 176.117 0.091 0.000 1.106 439 I CA -0.058 61.279 61.300 0.061 0.000 1.369 439 I CB 0.374 38.352 38.000 -0.037 0.000 1.410 439 I HN 0.341 nan 8.210 nan 0.000 0.523 440 N N 8.318 127.111 118.700 0.154 0.000 2.723 440 N HA 0.183 4.930 4.740 0.010 0.000 0.290 440 N C -2.216 173.134 175.510 -0.267 0.000 1.882 440 N CA -1.804 51.273 53.050 0.045 0.000 0.851 440 N CB 0.489 39.056 38.487 0.132 0.000 1.234 440 N HN 0.243 nan 8.380 nan 0.000 0.491 441 P HA -0.185 nan 4.420 nan 0.000 0.222 441 P C 0.929 177.915 177.300 -0.523 0.000 1.147 441 P CA 1.061 63.585 63.100 -0.959 0.000 0.790 441 P CB 0.157 31.682 31.700 -0.291 0.000 0.780 442 N N 0.417 118.976 118.700 -0.236 0.000 2.132 442 N HA -0.233 4.513 4.740 0.010 0.000 0.191 442 N C 2.016 177.398 175.510 -0.213 0.000 1.015 442 N CA 1.475 54.406 53.050 -0.200 0.000 0.864 442 N CB -0.793 37.671 38.487 -0.040 0.000 1.006 442 N HN 0.097 nan 8.380 nan 0.000 0.430 443 R N -0.917 119.506 120.500 -0.128 0.000 2.103 443 R HA 0.005 4.352 4.340 0.010 0.000 0.212 443 R C 2.127 178.450 176.300 0.037 0.000 1.107 443 R CA 0.858 56.982 56.100 0.040 0.000 1.025 443 R CB -0.267 30.159 30.300 0.208 0.000 0.929 443 R HN 0.581 nan 8.270 nan 0.000 0.456 444 Y N -1.504 118.818 120.300 0.036 0.000 2.395 444 Y HA 0.073 4.629 4.550 0.010 0.000 0.293 444 Y C 1.688 177.562 175.900 -0.044 0.000 1.123 444 Y CA 0.173 58.269 58.100 -0.006 0.000 1.227 444 Y CB -0.400 37.995 38.460 -0.107 0.000 1.012 444 Y HN -0.257 nan 8.280 nan 0.000 0.552 445 V N 1.099 120.943 119.914 -0.117 0.000 2.427 445 V HA -0.260 3.866 4.120 0.010 0.000 0.248 445 V C 2.444 178.452 176.094 -0.144 0.000 1.051 445 V CA 1.624 63.871 62.300 -0.088 0.000 1.048 445 V CB -0.678 31.019 31.823 -0.209 0.000 0.666 445 V HN 0.496 nan 8.190 nan 0.000 0.456 446 L N -0.436 120.640 121.223 -0.245 0.000 1.976 446 L HA -0.170 4.177 4.340 0.010 0.000 0.209 446 L C 2.250 179.069 176.870 -0.085 0.000 1.071 446 L CA 2.295 56.950 54.840 -0.309 0.000 0.746 446 L CB -0.747 40.978 42.059 -0.557 0.000 0.890 446 L HN 0.336 nan 8.230 nan 0.000 0.432 447 Y N -0.031 120.315 120.300 0.078 0.000 2.517 447 Y HA 0.106 4.662 4.550 0.010 0.000 0.281 447 Y C 1.230 177.182 175.900 0.087 0.000 1.125 447 Y CA -0.045 58.155 58.100 0.166 0.000 1.283 447 Y CB -0.857 37.789 38.460 0.309 0.000 1.042 447 Y HN 0.462 nan 8.280 nan 0.000 0.547 448 Q N 0.695 120.601 119.800 0.178 0.000 2.432 448 Q HA 0.021 4.367 4.340 0.010 0.000 0.264 448 Q C -0.391 175.657 176.000 0.081 0.000 1.035 448 Q CA -0.326 55.526 55.803 0.081 0.000 0.908 448 Q CB 0.572 29.333 28.738 0.038 0.000 1.280 448 Q HN 0.145 nan 8.270 nan 0.000 0.455 449 D N 0.448 120.881 120.400 0.054 0.000 2.361 449 D HA 0.014 4.660 4.640 0.010 0.000 0.239 449 D C 0.360 176.695 176.300 0.058 0.000 1.200 449 D CA -0.203 53.834 54.000 0.061 0.000 0.915 449 D CB 1.129 41.953 40.800 0.041 0.000 1.170 449 D HN 0.409 nan 8.370 nan 0.000 0.444 450 V N 1.794 121.754 119.914 0.077 0.000 2.374 450 V HA -0.074 4.052 4.120 0.010 0.000 0.241 450 V C 2.242 178.380 176.094 0.073 0.000 1.034 450 V CA 0.870 63.221 62.300 0.085 0.000 1.037 450 V CB -0.579 31.335 31.823 0.152 0.000 0.682 450 V HN 0.537 nan 8.190 nan 0.000 0.463 451 L N -0.533 120.727 121.223 0.061 0.000 2.093 451 L HA -0.087 4.260 4.340 0.010 0.000 0.208 451 L C 0.992 177.851 176.870 -0.018 0.000 1.085 451 L CA 0.898 55.742 54.840 0.006 0.000 0.755 451 L CB -0.216 41.833 42.059 -0.016 0.000 0.904 451 L HN 0.371 nan 8.230 nan 0.000 0.435 452 C N 0.761 120.063 119.300 0.002 0.000 3.075 452 C HA 0.309 4.775 4.460 0.010 0.000 0.262 452 C C -2.204 172.797 174.990 0.019 0.000 1.371 452 C CA -1.360 57.659 59.018 0.001 0.000 1.594 452 C CB -0.347 27.392 27.740 -0.002 0.000 1.849 452 C HN 0.117 nan 8.230 nan 0.000 0.475 453 P HA 0.150 nan 4.420 nan 0.000 0.273 453 P C 0.679 178.003 177.300 0.041 0.000 1.428 453 P CA 0.364 63.483 63.100 0.032 0.000 0.995 453 P CB 0.499 32.220 31.700 0.036 0.000 1.286 454 L N 2.496 123.741 121.223 0.037 0.000 2.362 454 L HA -0.043 4.303 4.340 0.010 0.000 0.219 454 L C 1.681 178.597 176.870 0.078 0.000 1.134 454 L CA 0.779 55.675 54.840 0.094 0.000 0.807 454 L CB -0.278 41.876 42.059 0.158 0.000 0.927 454 L HN 0.350 nan 8.230 nan 0.000 0.447 455 L N -0.518 120.684 121.223 -0.034 0.000 2.700 455 L HA 0.054 4.400 4.340 0.010 0.000 0.234 455 L C 1.928 178.868 176.870 0.117 0.000 1.156 455 L CA 0.491 55.309 54.840 -0.036 0.000 0.946 455 L CB -0.091 41.833 42.059 -0.225 0.000 1.216 455 L HN 0.179 nan 8.230 nan 0.000 0.493 456 E N 0.498 120.753 120.200 0.090 0.000 2.110 456 E HA -0.208 4.148 4.350 0.010 0.000 0.193 456 E C 1.896 178.526 176.600 0.050 0.000 0.988 456 E CA 1.262 57.708 56.400 0.076 0.000 0.804 456 E CB 0.257 29.989 29.700 0.053 0.000 0.745 456 E HN 0.287 nan 8.360 nan 0.000 0.458 457 Q N -0.539 119.259 119.800 -0.004 0.000 2.437 457 Q HA -0.107 4.239 4.340 0.010 0.000 0.210 457 Q C 1.038 176.896 176.000 -0.236 0.000 0.972 457 Q CA 0.880 56.603 55.803 -0.132 0.000 0.903 457 Q CB -0.041 28.572 28.738 -0.207 0.000 0.967 457 Q HN 0.596 nan 8.270 nan 0.000 0.486 458 H N -0.946 118.153 119.070 0.049 0.000 2.551 458 H HA 0.273 4.836 4.556 0.011 0.000 0.271 458 H C 0.261 175.664 175.328 0.124 0.000 0.984 458 H CA 0.021 56.109 56.048 0.067 0.000 1.164 458 H CB 0.836 30.596 29.762 -0.004 0.000 1.437 458 H HN 0.109 nan 8.280 nan 0.000 0.550 459 I N 1.778 122.457 120.570 0.181 0.000 2.404 459 I HA 0.231 4.408 4.170 0.010 0.000 0.293 459 I C 0.134 176.306 176.117 0.092 0.000 0.992 459 I CA -0.647 60.754 61.300 0.168 0.000 1.149 459 I CB 1.791 39.895 38.000 0.174 0.000 1.315 459 I HN -0.183 nan 8.210 nan 0.000 0.446 460 R N 7.491 128.033 120.500 0.070 0.000 2.204 460 R HA 0.236 4.583 4.340 0.010 0.000 0.341 460 R C -1.654 174.668 176.300 0.037 0.000 1.035 460 R CA -1.444 54.677 56.100 0.035 0.000 0.887 460 R CB 0.854 31.159 30.300 0.008 0.000 1.114 460 R HN 0.414 nan 8.270 nan 0.000 0.473 461 P HA -0.163 nan 4.420 nan 0.000 0.220 461 P C 0.231 177.554 177.300 0.037 0.000 1.148 461 P CA 1.280 64.408 63.100 0.048 0.000 0.803 461 P CB 0.529 32.255 31.700 0.043 0.000 0.782 462 E N 0.043 120.255 120.200 0.021 0.000 2.132 462 E HA -0.005 4.351 4.350 0.010 0.000 0.193 462 E C 2.067 178.666 176.600 -0.002 0.000 0.951 462 E CA 0.559 56.967 56.400 0.012 0.000 0.843 462 E CB -0.335 29.369 29.700 0.007 0.000 0.807 462 E HN 0.260 nan 8.360 nan 0.000 0.467 463 K N 0.917 121.308 120.400 -0.015 0.000 2.025 463 K HA -0.141 4.185 4.320 0.010 0.000 0.207 463 K C 1.470 178.024 176.600 -0.077 0.000 1.049 463 K CA 1.589 57.852 56.287 -0.040 0.000 0.933 463 K CB 0.171 32.643 32.500 -0.047 0.000 0.714 463 K HN -0.085 nan 8.250 nan 0.000 0.438 464 D N 0.296 120.641 120.400 -0.090 0.000 2.123 464 D HA -0.139 4.507 4.640 0.010 0.000 0.200 464 D C 1.702 177.878 176.300 -0.206 0.000 0.976 464 D CA 0.911 54.773 54.000 -0.230 0.000 0.831 464 D CB -0.048 40.674 40.800 -0.130 0.000 0.974 464 D HN 0.241 nan 8.370 nan 0.000 0.469 465 K N 0.873 121.288 120.400 0.026 0.000 2.032 465 K HA -0.195 4.131 4.320 0.010 0.000 0.209 465 K C 1.989 178.618 176.600 0.050 0.000 1.048 465 K CA 1.276 57.636 56.287 0.122 0.000 0.927 465 K CB 0.032 32.582 32.500 0.084 0.000 0.712 465 K HN 0.086 nan 8.250 nan 0.000 0.441 466 Q N -0.782 119.018 119.800 -0.000 0.000 2.096 466 Q HA -0.240 4.106 4.340 0.010 0.000 0.204 466 Q C 2.136 178.111 176.000 -0.043 0.000 0.982 466 Q CA 1.943 57.739 55.803 -0.013 0.000 0.850 466 Q CB -0.240 28.490 28.738 -0.013 0.000 0.901 466 Q HN 0.552 nan 8.270 nan 0.000 0.422 467 H N -0.110 118.850 119.070 -0.182 0.000 2.321 467 H HA -0.145 4.417 4.556 0.010 0.000 0.300 467 H C 1.513 176.726 175.328 -0.192 0.000 1.087 467 H CA 1.759 57.659 56.048 -0.247 0.000 1.319 467 H CB -0.146 29.365 29.762 -0.419 0.000 1.379 467 H HN 0.124 nan 8.280 nan 0.000 0.501 468 F N 0.562 120.433 119.950 -0.132 0.000 2.134 468 F HA -0.052 4.481 4.527 0.010 0.000 0.299 468 F C 2.803 178.487 175.800 -0.193 0.000 1.097 468 F CA 1.097 58.983 58.000 -0.190 0.000 1.264 468 F CB -1.223 37.718 39.000 -0.099 0.000 1.001 468 F HN 0.367 nan 8.300 nan 0.000 0.479 469 A N -0.911 121.930 122.820 0.035 0.000 1.877 469 A HA -0.205 4.121 4.320 0.010 0.000 0.216 469 A C 2.444 179.993 177.584 -0.059 0.000 1.186 469 A CA 1.982 54.011 52.037 -0.012 0.000 0.620 469 A CB -1.295 17.702 19.000 -0.006 0.000 0.822 469 A HN 0.330 nan 8.150 nan 0.000 0.443 470 S N -0.364 115.276 115.700 -0.101 0.000 2.370 470 S HA -0.144 4.333 4.470 0.010 0.000 0.226 470 S C 2.222 176.739 174.600 -0.137 0.000 1.033 470 S CA 2.025 60.157 58.200 -0.113 0.000 1.011 470 S CB -0.411 62.714 63.200 -0.124 0.000 0.852 470 S HN 0.575 nan 8.310 nan 0.000 0.457 471 S N 1.389 116.954 115.700 -0.225 0.000 2.368 471 S HA 0.062 4.539 4.470 0.010 0.000 0.224 471 S C 2.263 176.816 174.600 -0.078 0.000 1.029 471 S CA 0.963 59.051 58.200 -0.186 0.000 0.988 471 S CB -0.749 62.286 63.200 -0.276 0.000 0.838 471 S HN 0.718 nan 8.310 nan 0.000 0.462 472 A N 1.714 124.498 122.820 -0.061 0.000 1.892 472 A HA -0.231 4.095 4.320 0.010 0.000 0.218 472 A C 2.149 179.717 177.584 -0.026 0.000 1.188 472 A CA 1.605 53.620 52.037 -0.036 0.000 0.631 472 A CB -0.681 18.295 19.000 -0.039 0.000 0.822 472 A HN 0.542 nan 8.150 nan 0.000 0.447 473 Q N -0.882 118.897 119.800 -0.035 0.000 2.050 473 Q HA -0.230 4.116 4.340 0.010 0.000 0.202 473 Q C 2.373 178.358 176.000 -0.023 0.000 0.980 473 Q CA 1.680 57.467 55.803 -0.027 0.000 0.840 473 Q CB -0.264 28.457 28.738 -0.029 0.000 0.898 473 Q HN 0.789 nan 8.270 nan 0.000 0.424 474 Q N 0.354 120.136 119.800 -0.030 0.000 2.096 474 Q HA -0.145 4.201 4.340 0.010 0.000 0.204 474 Q C 2.171 178.164 176.000 -0.011 0.000 0.982 474 Q CA 1.081 56.870 55.803 -0.023 0.000 0.850 474 Q CB -0.088 28.634 28.738 -0.027 0.000 0.901 474 Q HN 0.358 nan 8.270 nan 0.000 0.422 475 L N -0.470 120.757 121.223 0.007 0.000 2.156 475 L HA -0.048 4.298 4.340 0.010 0.000 0.208 475 L C 2.372 179.263 176.870 0.034 0.000 1.095 475 L CA 0.858 55.728 54.840 0.050 0.000 0.770 475 L CB -0.576 41.533 42.059 0.083 0.000 0.914 475 L HN 0.303 nan 8.230 nan 0.000 0.439 476 G N -0.478 108.330 108.800 0.015 0.000 2.450 476 G HA2 -0.212 3.754 3.960 0.010 0.000 0.220 476 G HA3 -0.212 3.754 3.960 0.010 0.000 0.220 476 G C 1.494 176.388 174.900 -0.009 0.000 1.130 476 G CA 0.478 45.584 45.100 0.009 0.000 0.760 476 G HN 0.263 nan 8.290 nan 0.000 0.557 477 E N 0.379 120.566 120.200 -0.023 0.000 2.076 477 E HA 0.044 4.400 4.350 0.010 0.000 0.190 477 E C 2.612 179.171 176.600 -0.070 0.000 0.979 477 E CA 0.201 56.579 56.400 -0.036 0.000 0.807 477 E CB -0.209 29.472 29.700 -0.031 0.000 0.761 477 E HN 0.504 nan 8.360 nan 0.000 0.454 478 I N 1.919 122.428 120.570 -0.102 0.000 2.286 478 I HA -0.261 3.915 4.170 0.010 0.000 0.248 478 I C 2.494 178.439 176.117 -0.287 0.000 1.115 478 I CA 1.371 62.538 61.300 -0.220 0.000 1.392 478 I CB -0.360 37.460 38.000 -0.299 0.000 1.065 478 I HN 0.052 nan 8.210 nan 0.000 0.418 479 S N 0.889 116.493 115.700 -0.160 0.000 2.399 479 S HA -0.205 4.271 4.470 0.010 0.000 0.231 479 S C 1.883 176.447 174.600 -0.060 0.000 1.022 479 S CA 0.972 59.125 58.200 -0.078 0.000 0.983 479 S CB -0.440 62.794 63.200 0.057 0.000 0.803 479 S HN 0.429 nan 8.310 nan 0.000 0.480 480 K N 1.364 121.731 120.400 -0.056 0.000 2.283 480 K HA -0.015 4.311 4.320 0.010 0.000 0.202 480 K C 1.932 178.505 176.600 -0.045 0.000 1.048 480 K CA 1.198 57.464 56.287 -0.035 0.000 0.948 480 K CB -0.103 32.380 32.500 -0.028 0.000 0.742 480 K HN 0.680 nan 8.250 nan 0.000 0.458 481 R N -0.953 119.500 120.500 -0.079 0.000 2.613 481 R HA 0.342 4.689 4.340 0.010 0.000 0.361 481 R C 0.812 177.062 176.300 -0.083 0.000 1.072 481 R CA 0.092 56.152 56.100 -0.066 0.000 1.089 481 R CB 0.660 30.924 30.300 -0.060 0.000 1.343 481 R HN -0.065 nan 8.270 nan 0.000 0.571 482 A N 0.854 123.612 122.820 -0.104 0.000 2.348 482 A HA 0.491 4.817 4.320 0.010 0.000 0.224 482 A C 1.272 178.889 177.584 0.056 0.000 1.227 482 A CA 0.216 52.193 52.037 -0.100 0.000 0.885 482 A CB -0.049 18.779 19.000 -0.286 0.000 0.933 482 A HN 0.581 nan 8.150 nan 0.000 0.506 483 G N 1.472 110.287 108.800 0.026 0.000 2.651 483 G HA2 -0.466 3.501 3.960 0.010 0.000 0.315 483 G HA3 -0.466 3.501 3.960 0.010 0.000 0.315 483 G C 0.890 175.793 174.900 0.006 0.000 1.258 483 G CA 0.960 46.068 45.100 0.013 0.000 1.002 483 G HN 1.011 nan 8.290 nan 0.000 0.551 484 E N -0.300 119.846 120.200 -0.091 0.000 2.409 484 E HA 0.006 4.362 4.350 0.010 0.000 0.198 484 E C 1.665 178.164 176.600 -0.169 0.000 1.024 484 E CA 1.648 57.920 56.400 -0.214 0.000 0.861 484 E CB -0.146 29.302 29.700 -0.420 0.000 0.788 484 E HN 0.664 nan 8.360 nan 0.000 0.521 485 Y N -0.071 120.340 120.300 0.184 0.000 2.485 485 Y HA 0.452 5.008 4.550 0.010 0.000 0.260 485 Y C 2.170 178.198 175.900 0.212 0.000 1.173 485 Y CA -0.080 58.144 58.100 0.207 0.000 1.252 485 Y CB 0.303 38.904 38.460 0.236 0.000 1.123 485 Y HN 0.181 nan 8.280 nan 0.000 0.524 486 A N 0.288 123.299 122.820 0.317 0.000 1.940 486 A HA -0.280 4.046 4.320 0.010 0.000 0.219 486 A C 1.966 179.705 177.584 0.258 0.000 1.176 486 A CA 2.126 54.316 52.037 0.255 0.000 0.631 486 A CB -1.273 17.813 19.000 0.144 0.000 0.814 486 A HN 0.684 nan 8.150 nan 0.000 0.446 487 Y N 0.642 121.014 120.300 0.118 0.000 2.256 487 Y HA -0.174 4.382 4.550 0.010 0.000 0.288 487 Y C 1.821 177.768 175.900 0.079 0.000 1.155 487 Y CA 1.051 59.196 58.100 0.076 0.000 1.203 487 Y CB -0.990 37.488 38.460 0.029 0.000 0.980 487 Y HN 0.432 nan 8.280 nan 0.000 0.530 488 I N -3.443 116.741 120.570 -0.643 0.000 2.617 488 I HA -0.013 4.163 4.170 0.010 0.000 0.256 488 I C 1.445 177.309 176.117 -0.420 0.000 1.167 488 I CA 0.993 61.938 61.300 -0.591 0.000 1.469 488 I CB -0.680 36.886 38.000 -0.724 0.000 1.098 488 I HN 0.071 nan 8.210 nan 0.000 0.436 489 F N 1.930 121.775 119.950 -0.175 0.000 2.234 489 F HA -0.032 4.501 4.527 0.011 0.000 0.296 489 F C 2.574 178.352 175.800 -0.037 0.000 1.089 489 F CA 1.413 59.346 58.000 -0.112 0.000 1.343 489 F CB -0.405 38.515 39.000 -0.133 0.000 1.040 489 F HN 0.112 nan 8.300 nan 0.000 0.498 490 E N 0.503 120.793 120.200 0.149 0.000 2.077 490 E HA -0.166 4.190 4.350 0.010 0.000 0.193 490 E C 2.023 178.690 176.600 0.113 0.000 0.989 490 E CA 2.174 58.643 56.400 0.116 0.000 0.800 490 E CB -0.626 29.143 29.700 0.115 0.000 0.746 490 E HN 0.214 nan 8.360 nan 0.000 0.452 491 T N 1.022 115.640 114.554 0.106 0.000 2.684 491 T HA -0.170 4.186 4.350 0.010 0.000 0.267 491 T C 1.658 176.498 174.700 0.233 0.000 1.036 491 T CA 1.540 63.752 62.100 0.187 0.000 1.148 491 T CB -0.222 68.749 68.868 0.170 0.000 0.863 491 T HN 0.193 nan 8.240 nan 0.000 0.436 492 Q N 0.601 120.464 119.800 0.105 0.000 2.119 492 Q HA 0.105 4.451 4.340 0.010 0.000 0.201 492 Q C 2.733 178.752 176.000 0.033 0.000 0.972 492 Q CA 1.375 57.213 55.803 0.058 0.000 0.847 492 Q CB -0.757 27.974 28.738 -0.011 0.000 0.903 492 Q HN 0.583 nan 8.270 nan 0.000 0.433 493 A N 1.226 124.079 122.820 0.055 0.000 1.877 493 A HA -0.237 4.089 4.320 0.010 0.000 0.216 493 A C 2.126 179.708 177.584 -0.003 0.000 1.186 493 A CA 1.550 53.604 52.037 0.028 0.000 0.620 493 A CB -0.551 18.477 19.000 0.046 0.000 0.822 493 A HN 0.377 nan 8.150 nan 0.000 0.443 494 Q N -1.224 118.602 119.800 0.043 0.000 2.096 494 Q HA -0.184 4.162 4.340 0.010 0.000 0.204 494 Q C 2.127 178.031 176.000 -0.160 0.000 0.982 494 Q CA 1.492 57.310 55.803 0.025 0.000 0.850 494 Q CB -0.355 28.498 28.738 0.193 0.000 0.901 494 Q HN 0.589 nan 8.270 nan 0.000 0.422 495 L N 1.487 122.572 121.223 -0.230 0.000 1.994 495 L HA -0.194 4.152 4.340 0.010 0.000 0.208 495 L C 1.759 178.337 176.870 -0.487 0.000 1.071 495 L CA 1.796 56.252 54.840 -0.640 0.000 0.745 495 L CB -0.766 40.999 42.059 -0.490 0.000 0.892 495 L HN 0.174 nan 8.230 nan 0.000 0.431 496 N N -0.040 118.491 118.700 -0.282 0.000 2.069 496 N HA -0.195 4.551 4.740 0.010 0.000 0.191 496 N C 1.780 177.174 175.510 -0.193 0.000 1.031 496 N CA 1.685 54.604 53.050 -0.218 0.000 0.852 496 N CB -0.292 38.165 38.487 -0.050 0.000 1.018 496 N HN 0.539 nan 8.380 nan 0.000 0.423 497 A N 1.485 124.213 122.820 -0.153 0.000 1.908 497 A HA -0.139 4.187 4.320 0.010 0.000 0.218 497 A C 2.235 179.711 177.584 -0.180 0.000 1.181 497 A CA 1.063 53.026 52.037 -0.123 0.000 0.627 497 A CB -0.729 18.218 19.000 -0.090 0.000 0.818 497 A HN 0.249 nan 8.150 nan 0.000 0.445 498 L N -0.069 120.990 121.223 -0.273 0.000 2.046 498 L HA -0.106 4.240 4.340 0.010 0.000 0.208 498 L C 2.247 178.910 176.870 -0.345 0.000 1.077 498 L CA 1.722 56.368 54.840 -0.322 0.000 0.747 498 L CB -0.663 41.116 42.059 -0.467 0.000 0.896 498 L HN 0.414 nan 8.230 nan 0.000 0.432 499 L N -0.593 120.351 121.223 -0.465 0.000 2.083 499 L HA -0.178 4.169 4.340 0.010 0.000 0.209 499 L C 2.679 179.384 176.870 -0.275 0.000 1.083 499 L CA 1.115 55.632 54.840 -0.537 0.000 0.752 499 L CB -1.062 40.321 42.059 -1.125 0.000 0.899 499 L HN 0.390 nan 8.230 nan 0.000 0.433 500 A N 0.155 122.891 122.820 -0.140 0.000 1.877 500 A HA -0.220 4.106 4.320 0.010 0.000 0.216 500 A C 2.218 179.781 177.584 -0.035 0.000 1.186 500 A CA 1.713 53.762 52.037 0.020 0.000 0.620 500 A CB -0.663 18.362 19.000 0.041 0.000 0.822 500 A HN 0.316 nan 8.150 nan 0.000 0.443 501 L N -0.248 120.921 121.223 -0.090 0.000 2.093 501 L HA -0.047 4.299 4.340 0.010 0.000 0.208 501 L C 2.246 179.041 176.870 -0.125 0.000 1.085 501 L CA 2.487 57.269 54.840 -0.097 0.000 0.755 501 L CB -0.539 41.452 42.059 -0.113 0.000 0.904 501 L HN 0.439 nan 8.230 nan 0.000 0.435 502 K N -0.472 119.835 120.400 -0.156 0.000 2.097 502 K HA -0.154 4.172 4.320 0.010 0.000 0.206 502 K C 2.056 178.594 176.600 -0.104 0.000 1.049 502 K CA 1.767 57.956 56.287 -0.163 0.000 0.933 502 K CB -0.180 32.207 32.500 -0.189 0.000 0.717 502 K HN 0.403 nan 8.250 nan 0.000 0.442 503 I N 0.038 120.572 120.570 -0.059 0.000 2.202 503 I HA -0.276 3.901 4.170 0.010 0.000 0.242 503 I C 2.490 178.609 176.117 0.002 0.000 1.091 503 I CA 1.087 62.388 61.300 0.002 0.000 1.368 503 I CB -0.423 37.618 38.000 0.069 0.000 1.058 503 I HN 0.249 nan 8.210 nan 0.000 0.410 504 S N 1.147 116.844 115.700 -0.005 0.000 2.372 504 S HA -0.222 4.254 4.470 0.010 0.000 0.227 504 S C 2.030 176.628 174.600 -0.004 0.000 1.044 504 S CA 1.740 59.944 58.200 0.005 0.000 1.050 504 S CB -0.363 62.836 63.200 -0.002 0.000 0.901 504 S HN 0.319 nan 8.310 nan 0.000 0.447 505 I N 0.535 121.064 120.570 -0.069 0.000 2.233 505 I HA -0.129 4.047 4.170 0.010 0.000 0.243 505 I C 2.632 178.721 176.117 -0.047 0.000 1.093 505 I CA 1.495 62.726 61.300 -0.115 0.000 1.380 505 I CB -0.842 36.957 38.000 -0.334 0.000 1.067 505 I HN 0.317 nan 8.210 nan 0.000 0.413 506 T N -0.324 114.203 114.554 -0.046 0.000 2.708 506 T HA -0.205 4.151 4.350 0.010 0.000 0.266 506 T C 2.101 176.824 174.700 0.038 0.000 1.037 506 T CA 1.940 64.043 62.100 0.005 0.000 1.146 506 T CB -0.290 68.579 68.868 0.001 0.000 0.865 506 T HN 0.332 nan 8.240 nan 0.000 0.435 507 S N 0.642 116.366 115.700 0.040 0.000 2.368 507 S HA -0.016 4.460 4.470 0.010 0.000 0.224 507 S C 2.411 177.059 174.600 0.080 0.000 1.029 507 S CA 1.609 59.843 58.200 0.057 0.000 0.988 507 S CB -0.881 62.351 63.200 0.053 0.000 0.838 507 S HN 0.563 nan 8.310 nan 0.000 0.462 508 G N 2.251 111.106 108.800 0.091 0.000 2.418 508 G HA2 -0.153 3.813 3.960 0.010 0.000 0.217 508 G HA3 -0.153 3.813 3.960 0.010 0.000 0.217 508 G C 1.470 176.469 174.900 0.166 0.000 1.158 508 G CA 1.065 46.257 45.100 0.152 0.000 0.771 508 G HN 0.759 nan 8.290 nan 0.000 0.545 509 I N -2.304 118.345 120.570 0.132 0.000 2.353 509 I HA -0.079 4.097 4.170 0.010 0.000 0.248 509 I C 2.478 178.681 176.117 0.144 0.000 1.119 509 I CA 1.078 62.467 61.300 0.150 0.000 1.417 509 I CB -0.345 37.749 38.000 0.157 0.000 1.078 509 I HN 0.006 nan 8.210 nan 0.000 0.421 510 Q N 2.105 121.969 119.800 0.106 0.000 2.061 510 Q HA -0.193 4.154 4.340 0.010 0.000 0.204 510 Q C 2.200 178.282 176.000 0.136 0.000 0.984 510 Q CA 1.871 57.734 55.803 0.101 0.000 0.846 510 Q CB -0.376 28.403 28.738 0.067 0.000 0.902 510 Q HN 0.660 nan 8.270 nan 0.000 0.421 511 K N 0.391 120.867 120.400 0.125 0.000 2.001 511 K HA -0.058 4.268 4.320 0.010 0.000 0.208 511 K C 2.118 178.802 176.600 0.139 0.000 1.048 511 K CA 1.201 57.558 56.287 0.115 0.000 0.932 511 K CB -0.174 32.386 32.500 0.099 0.000 0.715 511 K HN 0.137 nan 8.250 nan 0.000 0.437 512 A N 0.384 123.320 122.820 0.193 0.000 1.969 512 A HA -0.170 4.156 4.320 0.010 0.000 0.218 512 A C 2.004 179.706 177.584 0.197 0.000 1.169 512 A CA 1.041 53.208 52.037 0.216 0.000 0.635 512 A CB -0.592 18.599 19.000 0.318 0.000 0.810 512 A HN 0.388 nan 8.150 nan 0.000 0.445 513 Y N 0.291 120.640 120.300 0.081 0.000 2.163 513 Y HA -0.169 4.388 4.550 0.011 0.000 0.288 513 Y C 2.519 178.438 175.900 0.032 0.000 1.136 513 Y CA 2.092 60.210 58.100 0.030 0.000 1.147 513 Y CB -0.290 38.134 38.460 -0.060 0.000 0.987 513 Y HN 0.313 nan 8.280 nan 0.000 0.509 514 R N 0.802 121.382 120.500 0.133 0.000 2.091 514 R HA -0.203 4.143 4.340 0.010 0.000 0.238 514 R C 1.387 177.682 176.300 -0.008 0.000 1.136 514 R CA 1.950 58.082 56.100 0.053 0.000 0.959 514 R CB -0.441 29.910 30.300 0.085 0.000 0.856 514 R HN 0.577 nan 8.270 nan 0.000 0.437 515 N N -0.896 117.815 118.700 0.018 0.000 2.322 515 N HA 0.086 4.832 4.740 0.010 0.000 0.194 515 N C 0.598 176.110 175.510 0.003 0.000 1.126 515 N CA 0.689 53.746 53.050 0.012 0.000 0.845 515 N CB 0.656 39.159 38.487 0.027 0.000 0.976 515 N HN 0.334 nan 8.380 nan 0.000 0.475 516 G N 0.290 109.078 108.800 -0.020 0.000 2.179 516 G HA2 -0.301 3.665 3.960 0.010 0.000 0.257 516 G HA3 -0.301 3.665 3.960 0.010 0.000 0.257 516 G C -0.436 174.495 174.900 0.051 0.000 1.010 516 G CA 0.308 45.405 45.100 -0.005 0.000 0.736 516 G HN 0.580 nan 8.290 nan 0.000 0.513 517 D N 0.373 120.824 120.400 0.085 0.000 2.558 517 D HA 0.276 4.923 4.640 0.010 0.000 0.221 517 D C 1.694 178.079 176.300 0.143 0.000 1.143 517 D CA -0.309 53.754 54.000 0.105 0.000 1.010 517 D CB -0.066 40.805 40.800 0.119 0.000 1.068 517 D HN 0.446 nan 8.370 nan 0.000 0.511 518 K N 1.012 121.473 120.400 0.101 0.000 2.209 518 K HA -0.132 4.194 4.320 0.010 0.000 0.204 518 K C 1.512 178.158 176.600 0.077 0.000 1.048 518 K CA 0.850 57.191 56.287 0.088 0.000 0.940 518 K CB 0.399 32.879 32.500 -0.035 0.000 0.729 518 K HN 0.456 nan 8.250 nan 0.000 0.451 519 E N -0.050 120.195 120.200 0.075 0.000 2.051 519 E HA -0.217 4.139 4.350 0.010 0.000 0.192 519 E C 2.095 178.771 176.600 0.125 0.000 0.991 519 E CA 1.048 57.495 56.400 0.078 0.000 0.799 519 E CB -0.136 29.607 29.700 0.072 0.000 0.748 519 E HN 0.425 nan 8.360 nan 0.000 0.449 520 H N 0.685 119.790 119.070 0.057 0.000 2.389 520 H HA -0.037 4.526 4.556 0.010 0.000 0.299 520 H C 2.275 177.662 175.328 0.097 0.000 1.081 520 H CA 0.798 56.888 56.048 0.070 0.000 1.345 520 H CB 0.125 29.927 29.762 0.067 0.000 1.393 520 H HN 0.110 nan 8.280 nan 0.000 0.520 521 L N -0.108 121.157 121.223 0.070 0.000 2.079 521 L HA -0.189 4.157 4.340 0.010 0.000 0.210 521 L C 2.926 179.808 176.870 0.020 0.000 1.081 521 L CA 1.264 56.135 54.840 0.052 0.000 0.752 521 L CB -0.427 41.743 42.059 0.185 0.000 0.896 521 L HN 0.228 nan 8.230 nan 0.000 0.433 522 S N -0.485 115.233 115.700 0.030 0.000 2.368 522 S HA -0.147 4.329 4.470 0.010 0.000 0.224 522 S C 2.135 176.738 174.600 0.004 0.000 1.029 522 S CA 1.126 59.335 58.200 0.014 0.000 0.988 522 S CB -0.044 63.165 63.200 0.016 0.000 0.838 522 S HN 0.439 nan 8.310 nan 0.000 0.462 523 A N 1.589 124.405 122.820 -0.008 0.000 1.877 523 A HA 0.009 4.335 4.320 0.010 0.000 0.216 523 A C 2.198 179.772 177.584 -0.017 0.000 1.186 523 A CA 1.552 53.587 52.037 -0.004 0.000 0.620 523 A CB -0.881 18.136 19.000 0.028 0.000 0.822 523 A HN 0.571 nan 8.150 nan 0.000 0.443 524 L N -0.780 120.388 121.223 -0.091 0.000 1.994 524 L HA -0.222 4.124 4.340 0.010 0.000 0.208 524 L C 3.151 180.180 176.870 0.265 0.000 1.071 524 L CA 1.236 56.097 54.840 0.034 0.000 0.745 524 L CB -0.677 41.387 42.059 0.008 0.000 0.892 524 L HN 0.437 nan 8.230 nan 0.000 0.431 525 A N -0.310 122.605 122.820 0.158 0.000 1.917 525 A HA -0.206 4.121 4.320 0.010 0.000 0.219 525 A C 2.180 179.804 177.584 0.067 0.000 1.182 525 A CA 1.818 53.870 52.037 0.025 0.000 0.633 525 A CB -0.336 18.593 19.000 -0.118 0.000 0.819 525 A HN 0.409 nan 8.150 nan 0.000 0.448 526 E N -0.565 119.666 120.200 0.051 0.000 2.250 526 E HA 0.007 4.364 4.350 0.010 0.000 0.192 526 E C 1.723 178.356 176.600 0.055 0.000 0.986 526 E CA 0.968 57.389 56.400 0.036 0.000 0.849 526 E CB -0.040 29.669 29.700 0.015 0.000 0.797 526 E HN 0.714 nan 8.360 nan 0.000 0.482 527 K N 0.200 120.642 120.400 0.070 0.000 2.266 527 K HA 0.059 4.385 4.320 0.010 0.000 0.209 527 K C 1.520 178.159 176.600 0.065 0.000 1.065 527 K CA 0.685 57.005 56.287 0.056 0.000 0.946 527 K CB 0.215 32.740 32.500 0.041 0.000 1.069 527 K HN -0.123 nan 8.250 nan 0.000 0.472 528 D N 0.668 121.110 120.400 0.071 0.000 2.149 528 D HA -0.066 4.581 4.640 0.010 0.000 0.201 528 D C 1.514 177.813 176.300 -0.002 0.000 0.972 528 D CA 0.948 54.953 54.000 0.010 0.000 0.835 528 D CB -0.062 40.710 40.800 -0.046 0.000 0.966 528 D HN -0.006 nan 8.370 nan 0.000 0.476 529 F N 0.605 120.556 119.950 0.001 0.000 2.075 529 F HA -0.028 4.505 4.527 0.010 0.000 0.297 529 F C -0.640 175.185 175.800 0.042 0.000 1.113 529 F CA 0.947 58.960 58.000 0.021 0.000 1.218 529 F CB -1.361 37.645 39.000 0.010 0.000 0.984 529 F HN 0.031 nan 8.300 nan 0.000 0.472 530 P HA -0.227 nan 4.420 nan 0.000 0.216 530 P C 1.446 178.813 177.300 0.112 0.000 1.150 530 P CA 1.619 64.789 63.100 0.117 0.000 0.837 530 P CB -0.161 31.575 31.700 0.059 0.000 0.786 531 Q N -0.666 119.175 119.800 0.067 0.000 2.050 531 Q HA -0.190 4.156 4.340 0.010 0.000 0.202 531 Q C 2.020 178.028 176.000 0.013 0.000 0.980 531 Q CA 1.280 57.101 55.803 0.030 0.000 0.840 531 Q CB -0.700 28.039 28.738 0.001 0.000 0.898 531 Q HN 0.095 nan 8.270 nan 0.000 0.424 532 L N -0.066 121.146 121.223 -0.018 0.000 2.017 532 L HA -0.184 4.162 4.340 0.010 0.000 0.208 532 L C 2.147 179.020 176.870 0.004 0.000 1.073 532 L CA 1.881 56.681 54.840 -0.066 0.000 0.745 532 L CB -0.875 41.081 42.059 -0.172 0.000 0.894 532 L HN 0.342 nan 8.230 nan 0.000 0.432 533 Y N -0.015 120.268 120.300 -0.027 0.000 2.128 533 Y HA -0.354 4.203 4.550 0.011 0.000 0.284 533 Y C 2.816 178.706 175.900 -0.017 0.000 1.154 533 Y CA 2.296 60.397 58.100 0.002 0.000 1.149 533 Y CB -0.265 38.224 38.460 0.049 0.000 0.976 533 Y HN 0.401 nan 8.280 nan 0.000 0.505 534 Q N 0.176 120.090 119.800 0.190 0.000 2.096 534 Q HA -0.215 4.131 4.340 0.010 0.000 0.204 534 Q C 2.087 178.081 176.000 -0.010 0.000 0.982 534 Q CA 2.337 58.195 55.803 0.092 0.000 0.850 534 Q CB -0.362 28.426 28.738 0.083 0.000 0.901 534 Q HN 0.617 nan 8.270 nan 0.000 0.422 535 M N -1.366 118.213 119.600 -0.036 0.000 2.229 535 M HA -0.125 4.361 4.480 0.010 0.000 0.264 535 M C 1.937 178.169 176.300 -0.113 0.000 1.063 535 M CA 0.940 56.197 55.300 -0.072 0.000 1.114 535 M CB -0.022 32.520 32.600 -0.096 0.000 1.387 535 M HN 0.064 nan 8.290 nan 0.000 0.420 536 V N 0.448 120.257 119.914 -0.174 0.000 2.358 536 V HA -0.219 3.907 4.120 0.010 0.000 0.246 536 V C 2.110 178.045 176.094 -0.265 0.000 1.047 536 V CA 1.755 63.903 62.300 -0.253 0.000 1.035 536 V CB -0.688 30.957 31.823 -0.297 0.000 0.658 536 V HN 0.462 nan 8.190 nan 0.000 0.452 537 E N 0.062 120.117 120.200 -0.241 0.000 2.038 537 E HA -0.261 4.095 4.350 0.010 0.000 0.195 537 E C 1.995 178.524 176.600 -0.119 0.000 1.000 537 E CA 1.638 57.930 56.400 -0.180 0.000 0.803 537 E CB -0.258 29.379 29.700 -0.104 0.000 0.750 537 E HN 0.589 nan 8.360 nan 0.000 0.448 538 D N 0.195 120.552 120.400 -0.070 0.000 2.144 538 D HA -0.152 4.494 4.640 0.010 0.000 0.199 538 D C 1.666 177.945 176.300 -0.036 0.000 0.984 538 D CA 0.712 54.691 54.000 -0.035 0.000 0.834 538 D CB -0.332 40.463 40.800 -0.008 0.000 0.955 538 D HN 0.091 nan 8.370 nan 0.000 0.465 539 F N 1.295 121.118 119.950 -0.212 0.000 2.146 539 F HA -0.161 4.372 4.527 0.011 0.000 0.298 539 F C 2.494 178.145 175.800 -0.248 0.000 1.096 539 F CA 1.320 59.173 58.000 -0.246 0.000 1.275 539 F CB -0.398 38.371 39.000 -0.385 0.000 1.008 539 F HN -0.153 nan 8.300 nan 0.000 0.480 540 S N -0.010 115.402 115.700 -0.480 0.000 2.370 540 S HA -0.206 4.270 4.470 0.010 0.000 0.226 540 S C 1.820 176.355 174.600 -0.108 0.000 1.033 540 S CA 1.886 59.831 58.200 -0.423 0.000 1.011 540 S CB -0.595 62.416 63.200 -0.314 0.000 0.852 540 S HN 0.484 nan 8.310 nan 0.000 0.457 541 D N 0.630 120.970 120.400 -0.100 0.000 2.117 541 D HA -0.080 4.566 4.640 0.010 0.000 0.198 541 D C 2.104 178.383 176.300 -0.034 0.000 0.982 541 D CA 1.237 55.214 54.000 -0.038 0.000 0.828 541 D CB -0.595 40.188 40.800 -0.030 0.000 0.967 541 D HN 0.470 nan 8.370 nan 0.000 0.464 542 Q N -0.102 119.654 119.800 -0.073 0.000 2.079 542 Q HA -0.110 4.236 4.340 0.010 0.000 0.200 542 Q C 1.941 177.911 176.000 -0.051 0.000 0.974 542 Q CA 1.021 56.796 55.803 -0.046 0.000 0.840 542 Q CB -0.697 28.022 28.738 -0.031 0.000 0.898 542 Q HN 0.291 nan 8.270 nan 0.000 0.430 543 F N 0.263 120.030 119.950 -0.305 0.000 2.126 543 F HA -0.168 4.365 4.527 0.010 0.000 0.299 543 F C 2.049 177.898 175.800 0.082 0.000 1.096 543 F CA 1.831 59.739 58.000 -0.153 0.000 1.255 543 F CB -0.455 38.393 39.000 -0.254 0.000 0.997 543 F HN 0.045 nan 8.300 nan 0.000 0.479 544 S N 0.364 116.112 115.700 0.080 0.000 2.399 544 S HA -0.155 4.322 4.470 0.010 0.000 0.231 544 S C 1.990 176.596 174.600 0.010 0.000 1.022 544 S CA 1.112 59.340 58.200 0.046 0.000 0.983 544 S CB -0.322 62.918 63.200 0.068 0.000 0.803 544 S HN 0.407 nan 8.310 nan 0.000 0.480 545 R N 1.010 121.508 120.500 -0.004 0.000 2.066 545 R HA -0.098 4.248 4.340 0.010 0.000 0.232 545 R C 2.650 178.955 176.300 0.007 0.000 1.131 545 R CA 1.317 57.417 56.100 -0.001 0.000 0.955 545 R CB -0.370 29.934 30.300 0.006 0.000 0.851 545 R HN 0.496 nan 8.270 nan 0.000 0.432 546 Q N 0.289 120.111 119.800 0.038 0.000 2.061 546 Q HA -0.234 4.113 4.340 0.010 0.000 0.204 546 Q C 1.911 177.935 176.000 0.040 0.000 0.984 546 Q CA 1.613 57.510 55.803 0.157 0.000 0.846 546 Q CB -0.214 28.568 28.738 0.073 0.000 0.902 546 Q HN 0.492 nan 8.270 nan 0.000 0.421 547 W N 1.318 122.410 121.300 -0.347 0.000 2.355 547 W HA -0.213 4.453 4.660 0.010 0.000 0.309 547 W C 1.623 178.076 176.519 -0.110 0.000 1.206 547 W CA 1.855 59.032 57.345 -0.280 0.000 1.284 547 W CB -0.263 28.977 29.460 -0.368 0.000 1.145 547 W HN 0.360 nan 8.180 nan 0.000 0.502 548 Q N -0.155 119.759 119.800 0.189 0.000 2.224 548 Q HA -0.263 4.084 4.340 0.010 0.000 0.203 548 Q C 2.057 178.051 176.000 -0.011 0.000 0.970 548 Q CA 1.637 57.508 55.803 0.113 0.000 0.865 548 Q CB -0.339 28.451 28.738 0.087 0.000 0.922 548 Q HN 0.238 nan 8.270 nan 0.000 0.445 549 Q N 1.249 121.014 119.800 -0.059 0.000 2.167 549 Q HA -0.163 4.183 4.340 0.010 0.000 0.202 549 Q C 1.047 177.017 176.000 -0.050 0.000 0.970 549 Q CA 1.625 57.351 55.803 -0.129 0.000 0.855 549 Q CB 0.280 28.814 28.738 -0.340 0.000 0.911 549 Q HN 0.412 nan 8.270 nan 0.000 0.438 550 E N -0.876 119.309 120.200 -0.025 0.000 2.330 550 E HA 0.151 4.508 4.350 0.010 0.000 0.200 550 E C -0.128 176.410 176.600 -0.103 0.000 0.922 550 E CA -0.009 56.409 56.400 0.031 0.000 0.935 550 E CB 0.450 30.202 29.700 0.088 0.000 0.917 550 E HN 0.223 nan 8.360 nan 0.000 0.491 551 N N 0.889 119.426 118.700 -0.273 0.000 2.380 551 N HA 0.247 4.994 4.740 0.010 0.000 0.290 551 N C -0.693 174.735 175.510 -0.138 0.000 1.236 551 N CA -0.539 52.296 53.050 -0.359 0.000 0.780 551 N CB 1.506 39.398 38.487 -0.991 0.000 1.438 551 N HN -0.129 nan 8.380 nan 0.000 0.491 552 K N 0.376 120.759 120.400 -0.030 0.000 2.230 552 K HA 0.106 4.432 4.320 0.010 0.000 0.253 552 K C 1.197 177.939 176.600 0.237 0.000 1.008 552 K CA -0.360 55.990 56.287 0.104 0.000 0.910 552 K CB 0.844 33.447 32.500 0.171 0.000 0.994 552 K HN 0.386 nan 8.250 nan 0.000 0.495 553 I N 1.382 122.006 120.570 0.090 0.000 2.394 553 I HA -0.120 4.056 4.170 0.010 0.000 0.251 553 I C 0.088 176.203 176.117 -0.004 0.000 1.136 553 I CA 0.832 62.146 61.300 0.023 0.000 1.425 553 I CB -0.029 37.816 38.000 -0.259 0.000 1.079 553 I HN 0.333 nan 8.210 nan 0.000 0.425 554 F N 1.291 121.358 119.950 0.194 0.000 2.578 554 F HA 0.384 4.918 4.527 0.012 0.000 0.376 554 F C 1.711 177.648 175.800 0.229 0.000 1.085 554 F CA 0.867 58.957 58.000 0.151 0.000 1.260 554 F CB -0.171 38.893 39.000 0.106 0.000 1.095 554 F HN 0.214 nan 8.300 nan 0.000 0.573 555 G N 1.848 110.805 108.800 0.261 0.000 2.279 555 G HA2 -0.321 3.646 3.960 0.010 0.000 0.223 555 G HA3 -0.321 3.646 3.960 0.010 0.000 0.223 555 G C 0.914 175.675 174.900 -0.230 0.000 1.015 555 G CA 0.164 45.370 45.100 0.177 0.000 0.621 555 G HN 0.648 nan 8.290 nan 0.000 0.506 556 L N 2.511 123.421 121.223 -0.522 0.000 2.127 556 L HA 0.044 4.391 4.340 0.010 0.000 0.211 556 L C 2.641 179.211 176.870 -0.501 0.000 1.089 556 L CA 3.084 57.344 54.840 -0.968 0.000 0.757 556 L CB -0.602 40.912 42.059 -0.908 0.000 0.899 556 L HN 0.577 nan 8.230 nan 0.000 0.434 557 D N -2.489 117.732 120.400 -0.300 0.000 2.133 557 D HA -0.239 4.408 4.640 0.010 0.000 0.195 557 D C 1.778 177.923 176.300 -0.258 0.000 0.997 557 D CA 1.974 55.839 54.000 -0.225 0.000 0.840 557 D CB -0.943 39.768 40.800 -0.149 0.000 0.947 557 D HN 0.309 nan 8.370 nan 0.000 0.452 558 T N 0.526 114.913 114.554 -0.277 0.000 2.788 558 T HA -0.019 4.337 4.350 0.010 0.000 0.268 558 T C 2.125 176.539 174.700 -0.476 0.000 1.044 558 T CA 1.047 62.944 62.100 -0.338 0.000 1.139 558 T CB -0.244 68.454 68.868 -0.282 0.000 0.867 558 T HN 0.224 nan 8.240 nan 0.000 0.454 559 I N 0.890 121.160 120.570 -0.501 0.000 2.353 559 I HA -0.118 4.059 4.170 0.010 0.000 0.248 559 I C 2.255 178.022 176.117 -0.583 0.000 1.119 559 I CA 0.912 61.816 61.300 -0.660 0.000 1.417 559 I CB -0.280 37.321 38.000 -0.664 0.000 1.078 559 I HN 0.097 nan 8.210 nan 0.000 0.421 560 D N 1.124 121.323 120.400 -0.335 0.000 2.123 560 D HA -0.162 4.484 4.640 0.010 0.000 0.196 560 D C 2.244 178.458 176.300 -0.145 0.000 0.992 560 D CA 1.435 55.346 54.000 -0.148 0.000 0.833 560 D CB -0.134 40.596 40.800 -0.118 0.000 0.954 560 D HN 0.336 nan 8.370 nan 0.000 0.455 561 I N 0.568 120.996 120.570 -0.237 0.000 2.202 561 I HA -0.232 3.944 4.170 0.010 0.000 0.242 561 I C 2.532 178.506 176.117 -0.238 0.000 1.091 561 I CA 0.999 62.175 61.300 -0.208 0.000 1.368 561 I CB -0.049 37.805 38.000 -0.243 0.000 1.058 561 I HN -0.091 nan 8.210 nan 0.000 0.410 562 R N -0.108 120.098 120.500 -0.491 0.000 2.066 562 R HA -0.131 4.215 4.340 0.010 0.000 0.232 562 R C 2.315 178.635 176.300 0.032 0.000 1.131 562 R CA 1.422 57.200 56.100 -0.536 0.000 0.955 562 R CB -0.384 29.269 30.300 -1.079 0.000 0.851 562 R HN 0.178 nan 8.270 nan 0.000 0.432 563 F N 0.220 120.176 119.950 0.009 0.000 2.146 563 F HA 0.000 4.534 4.527 0.011 0.000 0.298 563 F C 2.551 178.360 175.800 0.015 0.000 1.096 563 F CA 1.157 59.188 58.000 0.051 0.000 1.275 563 F CB -1.324 37.671 39.000 -0.007 0.000 1.008 563 F HN 0.118 nan 8.300 nan 0.000 0.480 564 G N -0.192 108.714 108.800 0.177 0.000 2.440 564 G HA2 -0.194 3.773 3.960 0.010 0.000 0.218 564 G HA3 -0.194 3.773 3.960 0.010 0.000 0.218 564 G C 2.087 177.062 174.900 0.125 0.000 1.154 564 G CA 0.946 46.110 45.100 0.107 0.000 0.767 564 G HN 0.519 nan 8.290 nan 0.000 0.552 565 G N 0.750 109.639 108.800 0.149 0.000 2.418 565 G HA2 -0.148 3.818 3.960 0.010 0.000 0.217 565 G HA3 -0.148 3.818 3.960 0.010 0.000 0.217 565 G C 1.743 176.766 174.900 0.206 0.000 1.158 565 G CA 1.099 46.313 45.100 0.190 0.000 0.771 565 G HN 0.417 nan 8.290 nan 0.000 0.545 566 L N 0.583 121.955 121.223 0.248 0.000 2.017 566 L HA 0.078 4.425 4.340 0.010 0.000 0.208 566 L C 2.731 179.686 176.870 0.142 0.000 1.073 566 L CA 1.389 56.366 54.840 0.228 0.000 0.745 566 L CB -0.657 41.575 42.059 0.288 0.000 0.894 566 L HN 0.225 nan 8.230 nan 0.000 0.432 567 L N -0.468 120.800 121.223 0.075 0.000 2.012 567 L HA -0.269 4.077 4.340 0.010 0.000 0.210 567 L C 2.639 179.646 176.870 0.228 0.000 1.073 567 L CA 1.851 56.681 54.840 -0.018 0.000 0.748 567 L CB -0.637 41.299 42.059 -0.206 0.000 0.891 567 L HN 0.261 nan 8.230 nan 0.000 0.431 568 K N -0.221 120.295 120.400 0.193 0.000 2.097 568 K HA -0.144 4.182 4.320 0.010 0.000 0.206 568 K C 2.245 178.946 176.600 0.167 0.000 1.049 568 K CA 1.143 57.543 56.287 0.188 0.000 0.933 568 K CB 0.026 32.608 32.500 0.137 0.000 0.717 568 K HN 0.011 nan 8.250 nan 0.000 0.442 569 R N 0.161 120.757 120.500 0.161 0.000 2.115 569 R HA 0.034 4.380 4.340 0.010 0.000 0.226 569 R C 2.260 178.667 176.300 0.178 0.000 1.100 569 R CA 1.067 57.252 56.100 0.143 0.000 0.980 569 R CB -0.524 29.856 30.300 0.133 0.000 0.875 569 R HN 0.332 nan 8.270 nan 0.000 0.445 570 I N 0.729 121.438 120.570 0.231 0.000 2.252 570 I HA -0.277 3.899 4.170 0.010 0.000 0.245 570 I C 2.574 178.887 176.117 0.328 0.000 1.102 570 I CA 1.247 62.747 61.300 0.333 0.000 1.385 570 I CB -0.228 37.974 38.000 0.336 0.000 1.064 570 I HN 0.107 nan 8.210 nan 0.000 0.414 571 K N 0.945 121.506 120.400 0.269 0.000 2.057 571 K HA -0.260 4.066 4.320 0.010 0.000 0.207 571 K C 2.329 178.949 176.600 0.032 0.000 1.049 571 K CA 1.512 57.868 56.287 0.115 0.000 0.931 571 K CB -0.030 32.530 32.500 0.100 0.000 0.714 571 K HN -0.027 nan 8.250 nan 0.000 0.440 572 R N 0.647 121.183 120.500 0.060 0.000 2.081 572 R HA -0.051 4.296 4.340 0.010 0.000 0.235 572 R C 1.899 178.182 176.300 -0.029 0.000 1.131 572 R CA 1.769 57.879 56.100 0.016 0.000 0.960 572 R CB -0.720 29.602 30.300 0.038 0.000 0.856 572 R HN 0.297 nan 8.270 nan 0.000 0.436 573 A N 0.306 123.128 122.820 0.004 0.000 1.902 573 A HA -0.228 4.098 4.320 0.010 0.000 0.217 573 A C 2.170 179.537 177.584 -0.363 0.000 1.181 573 A CA 1.617 53.621 52.037 -0.055 0.000 0.623 573 A CB -0.727 18.386 19.000 0.189 0.000 0.818 573 A HN 0.598 nan 8.150 nan 0.000 0.443 574 Q N -0.482 118.976 119.800 -0.570 0.000 2.061 574 Q HA -0.269 4.077 4.340 0.010 0.000 0.204 574 Q C 2.135 177.931 176.000 -0.340 0.000 0.984 574 Q CA 2.071 57.429 55.803 -0.741 0.000 0.846 574 Q CB -0.208 28.223 28.738 -0.512 0.000 0.902 574 Q HN 0.820 nan 8.270 nan 0.000 0.421 575 E N -0.407 119.677 120.200 -0.193 0.000 2.077 575 E HA -0.219 4.138 4.350 0.010 0.000 0.193 575 E C 2.083 178.638 176.600 -0.076 0.000 0.989 575 E CA 0.811 57.146 56.400 -0.107 0.000 0.800 575 E CB 0.112 29.773 29.700 -0.065 0.000 0.746 575 E HN 0.230 nan 8.360 nan 0.000 0.452 576 R N 0.283 120.736 120.500 -0.079 0.000 2.075 576 R HA -0.079 4.267 4.340 0.010 0.000 0.232 576 R C 2.582 178.877 176.300 -0.008 0.000 1.126 576 R CA 0.838 56.913 56.100 -0.041 0.000 0.963 576 R CB -0.685 29.579 30.300 -0.059 0.000 0.858 576 R HN 0.343 nan 8.270 nan 0.000 0.435 577 L N 0.750 121.936 121.223 -0.062 0.000 2.046 577 L HA -0.159 4.187 4.340 0.010 0.000 0.208 577 L C 2.302 179.212 176.870 0.066 0.000 1.077 577 L CA 1.425 56.276 54.840 0.018 0.000 0.747 577 L CB -0.465 41.542 42.059 -0.086 0.000 0.896 577 L HN 0.222 nan 8.230 nan 0.000 0.432 578 E N -0.252 119.931 120.200 -0.028 0.000 2.110 578 E HA -0.253 4.103 4.350 0.010 0.000 0.193 578 E C 2.256 178.867 176.600 0.018 0.000 0.988 578 E CA 1.052 57.441 56.400 -0.018 0.000 0.804 578 E CB -0.038 29.628 29.700 -0.058 0.000 0.745 578 E HN 0.557 nan 8.360 nan 0.000 0.458 579 Q N -0.336 119.488 119.800 0.040 0.000 2.123 579 Q HA -0.141 4.205 4.340 0.010 0.000 0.199 579 Q C 1.978 178.043 176.000 0.108 0.000 0.966 579 Q CA 0.926 56.762 55.803 0.054 0.000 0.845 579 Q CB -0.127 28.641 28.738 0.050 0.000 0.907 579 Q HN 0.245 nan 8.270 nan 0.000 0.439 580 F N 1.344 121.299 119.950 0.009 0.000 2.075 580 F HA -0.186 4.347 4.527 0.011 0.000 0.297 580 F C 1.864 177.681 175.800 0.028 0.000 1.113 580 F CA 1.251 59.275 58.000 0.041 0.000 1.218 580 F CB -0.221 38.835 39.000 0.094 0.000 0.984 580 F HN -0.064 nan 8.300 nan 0.000 0.472 581 I N 0.163 120.707 120.570 -0.042 0.000 2.264 581 I HA -0.312 3.864 4.170 0.010 0.000 0.248 581 I C 2.402 178.427 176.117 -0.154 0.000 1.111 581 I CA 1.695 62.905 61.300 -0.150 0.000 1.382 581 I CB -0.637 37.352 38.000 -0.018 0.000 1.060 581 I HN 0.301 nan 8.210 nan 0.000 0.418 582 S N 0.087 115.734 115.700 -0.087 0.000 2.603 582 S HA 0.189 4.665 4.470 0.010 0.000 0.220 582 S C 1.652 176.204 174.600 -0.080 0.000 0.967 582 S CA 0.344 58.502 58.200 -0.070 0.000 0.920 582 S CB 0.233 63.410 63.200 -0.038 0.000 0.773 582 S HN 0.629 nan 8.310 nan 0.000 0.529 583 G N 1.066 109.798 108.800 -0.114 0.000 2.159 583 G HA2 -0.305 3.661 3.960 0.010 0.000 0.256 583 G HA3 -0.305 3.661 3.960 0.010 0.000 0.256 583 G C 0.641 175.519 174.900 -0.036 0.000 0.977 583 G CA 0.424 45.464 45.100 -0.099 0.000 0.652 583 G HN 0.559 nan 8.290 nan 0.000 0.531 584 Q N -0.403 119.391 119.800 -0.010 0.000 2.230 584 Q HA 0.241 4.588 4.340 0.010 0.000 0.202 584 Q C 1.546 177.569 176.000 0.039 0.000 0.963 584 Q CA 1.364 57.174 55.803 0.012 0.000 0.866 584 Q CB 0.154 28.899 28.738 0.012 0.000 0.931 584 Q HN 0.945 nan 8.270 nan 0.000 0.452 585 I N -3.657 116.960 120.570 0.079 0.000 2.828 585 I HA 0.357 4.533 4.170 0.010 0.000 0.302 585 I C -0.602 175.635 176.117 0.200 0.000 1.101 585 I CA -0.964 60.410 61.300 0.124 0.000 1.031 585 I CB 2.067 40.150 38.000 0.138 0.000 1.231 585 I HN -0.276 nan 8.210 nan 0.000 0.427 586 D N 2.392 122.907 120.400 0.192 0.000 2.350 586 D HA 0.155 4.801 4.640 0.010 0.000 0.213 586 D C 0.238 176.763 176.300 0.374 0.000 1.031 586 D CA 0.658 54.792 54.000 0.224 0.000 0.861 586 D CB 0.451 41.326 40.800 0.124 0.000 0.926 586 D HN 0.755 nan 8.370 nan 0.000 0.520 587 C N -2.034 117.463 119.300 0.328 0.000 3.311 587 C HA 0.667 5.133 4.460 0.010 0.000 0.325 587 C C -0.850 174.174 174.990 0.057 0.000 1.352 587 C CA -0.947 58.199 59.018 0.213 0.000 1.308 587 C CB 1.283 29.116 27.740 0.156 0.000 1.619 587 C HN -0.134 nan 8.230 nan 0.000 0.469 588 V N 2.277 122.109 119.914 -0.137 0.000 2.275 588 V HA 0.334 4.460 4.120 0.010 0.000 0.272 588 V C 1.109 177.038 176.094 -0.276 0.000 1.028 588 V CA 0.362 62.493 62.300 -0.282 0.000 0.810 588 V CB 0.540 32.039 31.823 -0.541 0.000 1.043 588 V HN 1.090 nan 8.190 nan 0.000 0.453 589 E N 2.625 122.748 120.200 -0.128 0.000 2.160 589 E HA -0.246 4.110 4.350 0.010 0.000 0.195 589 E C 1.617 178.141 176.600 -0.125 0.000 0.991 589 E CA 1.742 58.088 56.400 -0.089 0.000 0.810 589 E CB 0.347 30.022 29.700 -0.041 0.000 0.742 589 E HN 0.845 nan 8.360 nan 0.000 0.466 590 E N 0.356 120.466 120.200 -0.150 0.000 2.070 590 E HA -0.201 4.155 4.350 0.010 0.000 0.197 590 E C 1.886 178.379 176.600 -0.179 0.000 1.004 590 E CA 1.286 57.603 56.400 -0.137 0.000 0.805 590 E CB -0.136 29.486 29.700 -0.130 0.000 0.744 590 E HN 0.326 nan 8.360 nan 0.000 0.451 591 L N 0.911 121.930 121.223 -0.340 0.000 2.610 591 L HA -0.017 4.329 4.340 0.010 0.000 0.232 591 L C 1.515 178.246 176.870 -0.232 0.000 1.149 591 L CA 0.399 54.990 54.840 -0.414 0.000 0.872 591 L CB -0.101 41.388 42.059 -0.951 0.000 0.992 591 L HN 0.081 nan 8.230 nan 0.000 0.447 592 E N -0.511 119.608 120.200 -0.136 0.000 2.474 592 E HA 0.037 4.394 4.350 0.010 0.000 0.194 592 E C 0.249 176.848 176.600 -0.001 0.000 1.041 592 E CA 0.131 56.536 56.400 0.008 0.000 0.874 592 E CB 0.277 29.999 29.700 0.035 0.000 0.914 592 E HN 0.406 nan 8.360 nan 0.000 0.498 593 Q N 1.169 120.953 119.800 -0.027 0.000 2.286 593 Q HA 0.134 4.481 4.340 0.010 0.000 0.257 593 Q C 0.027 176.026 176.000 -0.002 0.000 0.941 593 Q CA 0.004 55.799 55.803 -0.013 0.000 0.912 593 Q CB 1.012 29.738 28.738 -0.020 0.000 1.192 593 Q HN 0.171 nan 8.270 nan 0.000 0.410 594 E N 2.982 123.186 120.200 0.006 0.000 2.417 594 E HA 0.058 4.414 4.350 0.010 0.000 0.261 594 E C -0.585 176.022 176.600 0.010 0.000 1.000 594 E CA -0.115 56.291 56.400 0.010 0.000 0.919 594 E CB 0.442 30.147 29.700 0.009 0.000 0.955 594 E HN 0.459 nan 8.360 nan 0.000 0.455 595 I N 6.133 126.711 120.570 0.014 0.000 2.371 595 I HA 0.143 4.320 4.170 0.010 0.000 0.290 595 I C 0.130 176.259 176.117 0.020 0.000 1.028 595 I CA -0.403 60.911 61.300 0.023 0.000 1.345 595 I CB 0.595 38.611 38.000 0.027 0.000 1.407 595 I HN 0.408 nan 8.210 nan 0.000 0.501 596 L N 7.133 128.375 121.223 0.032 0.000 2.358 596 L HA 0.521 4.867 4.340 0.010 0.000 0.268 596 L C -2.222 174.680 176.870 0.053 0.000 1.032 596 L CA -2.070 52.787 54.840 0.028 0.000 0.805 596 L CB 0.639 42.712 42.059 0.023 0.000 1.253 596 L HN 0.297 nan 8.230 nan 0.000 0.452 597 P HA -0.067 nan 4.420 nan 0.000 0.264 597 P C 0.085 177.546 177.300 0.268 0.000 1.183 597 P CA 0.257 63.422 63.100 0.108 0.000 0.763 597 P CB 0.362 32.108 31.700 0.076 0.000 0.807 598 F N 2.944 123.110 119.950 0.359 0.000 2.163 598 F HA -0.117 4.416 4.527 0.010 0.000 0.297 598 F C 0.925 176.750 175.800 0.042 0.000 1.094 598 F CA 1.156 59.224 58.000 0.114 0.000 1.290 598 F CB 0.215 39.193 39.000 -0.037 0.000 1.017 598 F HN 0.405 nan 8.300 nan 0.000 0.483 599 N N -1.100 117.685 118.700 0.140 0.000 3.039 599 N HA 0.180 4.926 4.740 0.010 0.000 0.257 599 N C -1.500 174.092 175.510 0.136 0.000 1.497 599 N CA -0.213 52.846 53.050 0.015 0.000 0.861 599 N CB 0.500 38.975 38.487 -0.020 0.000 1.479 599 N HN -0.040 nan 8.380 nan 0.000 0.547 600 D N -1.621 118.830 120.400 0.086 0.000 2.538 600 D HA 0.131 4.777 4.640 0.010 0.000 0.231 600 D C 0.449 176.789 176.300 0.068 0.000 1.229 600 D CA -0.554 53.502 54.000 0.093 0.000 0.828 600 D CB -0.678 40.142 40.800 0.034 0.000 1.035 600 D HN 0.395 nan 8.370 nan 0.000 0.495 601 F N 0.618 120.516 119.950 -0.087 0.000 2.154 601 F HA -0.182 4.351 4.527 0.010 0.000 0.301 601 F C 0.642 176.227 175.800 -0.358 0.000 1.087 601 F CA 1.399 59.243 58.000 -0.260 0.000 1.274 601 F CB 0.167 38.954 39.000 -0.355 0.000 1.009 601 F HN -0.038 nan 8.300 nan 0.000 0.485 602 Y N -0.486 119.983 120.300 0.282 0.000 2.696 602 Y HA 0.217 4.773 4.550 0.010 0.000 0.260 602 Y C 1.616 177.588 175.900 0.121 0.000 1.165 602 Y CA -0.688 57.528 58.100 0.194 0.000 1.189 602 Y CB -0.565 38.028 38.460 0.221 0.000 1.180 602 Y HN -0.054 nan 8.280 nan 0.000 0.538 603 K N 0.459 120.977 120.400 0.198 0.000 2.063 603 K HA -0.190 4.136 4.320 0.010 0.000 0.208 603 K C 0.918 177.577 176.600 0.100 0.000 1.048 603 K CA 2.096 58.463 56.287 0.134 0.000 0.928 603 K CB 0.087 32.637 32.500 0.083 0.000 0.713 603 K HN 0.157 nan 8.250 nan 0.000 0.442 604 D N 0.499 120.947 120.400 0.079 0.000 2.264 604 D HA -0.109 4.537 4.640 0.010 0.000 0.208 604 D C 1.370 177.718 176.300 0.080 0.000 0.966 604 D CA 0.947 54.981 54.000 0.057 0.000 0.864 604 D CB 0.080 40.895 40.800 0.025 0.000 0.933 604 D HN 0.247 nan 8.370 nan 0.000 0.499 605 Q N -0.723 119.155 119.800 0.129 0.000 2.403 605 Q HA 0.294 4.640 4.340 0.010 0.000 0.203 605 Q C 1.138 177.188 176.000 0.083 0.000 0.932 605 Q CA 0.411 56.281 55.803 0.112 0.000 0.945 605 Q CB 0.343 29.168 28.738 0.146 0.000 1.045 605 Q HN 0.215 nan 8.270 nan 0.000 0.511 606 G N 0.481 109.333 108.800 0.086 0.000 2.249 606 G HA2 -0.286 3.680 3.960 0.010 0.000 0.273 606 G HA3 -0.286 3.680 3.960 0.010 0.000 0.273 606 G C -0.271 174.670 174.900 0.068 0.000 1.036 606 G CA 0.063 45.202 45.100 0.065 0.000 0.824 606 G HN 0.355 nan 8.290 nan 0.000 0.504 607 L N -0.254 121.032 121.223 0.105 0.000 2.343 607 L HA 0.463 4.809 4.340 0.010 0.000 0.275 607 L C 1.751 178.699 176.870 0.131 0.000 1.056 607 L CA -0.102 54.797 54.840 0.098 0.000 0.804 607 L CB 1.291 43.412 42.059 0.103 0.000 1.203 607 L HN 0.212 nan 8.230 nan 0.000 0.440 608 T N 2.110 116.727 114.554 0.104 0.000 2.814 608 T HA 0.081 4.438 4.350 0.010 0.000 0.254 608 T C 0.818 175.671 174.700 0.256 0.000 1.037 608 T CA 0.570 62.743 62.100 0.122 0.000 1.143 608 T CB 0.034 68.941 68.868 0.065 0.000 0.866 608 T HN 0.684 nan 8.240 nan 0.000 0.431 609 A N 0.813 123.760 122.820 0.213 0.000 2.409 609 A HA 0.536 4.863 4.320 0.010 0.000 0.246 609 A C 0.599 178.347 177.584 0.273 0.000 1.099 609 A CA 0.128 52.331 52.037 0.277 0.000 0.789 609 A CB 0.105 19.224 19.000 0.197 0.000 1.053 609 A HN 0.331 nan 8.150 nan 0.000 0.503 610 T N -1.975 112.697 114.554 0.197 0.000 2.626 610 T HA 0.561 4.917 4.350 0.010 0.000 0.299 610 T C -0.625 174.180 174.700 0.176 0.000 1.181 610 T CA 0.334 62.527 62.100 0.156 0.000 1.053 610 T CB 1.412 70.166 68.868 -0.191 0.000 1.566 610 T HN 1.036 nan 8.240 nan 0.000 0.486 611 T N 0.705 115.297 114.554 0.063 0.000 2.797 611 T HA 0.755 5.112 4.350 0.010 0.000 0.279 611 T C -1.316 173.349 174.700 -0.058 0.000 0.991 611 T CA -0.171 61.940 62.100 0.018 0.000 0.979 611 T CB 0.602 69.373 68.868 -0.162 0.000 0.943 611 T HN 0.924 nan 8.240 nan 0.000 0.444 612 A N 4.438 127.293 122.820 0.059 0.000 2.547 612 A HA 0.596 4.922 4.320 0.010 0.000 0.279 612 A C -0.224 177.448 177.584 0.147 0.000 1.088 612 A CA -0.688 51.377 52.037 0.046 0.000 0.796 612 A CB 0.804 19.643 19.000 -0.267 0.000 1.308 612 A HN 0.698 nan 8.150 nan 0.000 0.415 613 N N 1.080 119.863 118.700 0.139 0.000 2.377 613 N HA 0.188 4.934 4.740 0.010 0.000 0.259 613 N C -0.827 174.779 175.510 0.159 0.000 1.332 613 N CA 0.223 53.379 53.050 0.177 0.000 0.877 613 N CB 0.551 39.153 38.487 0.192 0.000 1.299 613 N HN 0.706 nan 8.380 nan 0.000 0.501 614 Q N -0.468 119.401 119.800 0.115 0.000 2.327 614 Q HA 0.191 4.537 4.340 0.010 0.000 0.270 614 Q C -0.106 175.925 176.000 0.053 0.000 1.022 614 Q CA -0.792 55.064 55.803 0.088 0.000 0.773 614 Q CB 1.545 30.260 28.738 -0.039 0.000 1.251 614 Q HN 0.353 nan 8.270 nan 0.000 0.457 615 W N 4.818 126.117 121.300 -0.001 0.000 2.318 615 W HA -0.290 4.377 4.660 0.010 0.000 0.313 615 W C 1.894 178.366 176.519 -0.077 0.000 1.221 615 W CA 2.557 59.841 57.345 -0.102 0.000 1.266 615 W CB -0.016 29.286 29.460 -0.264 0.000 1.150 615 W HN 0.880 nan 8.180 nan 0.000 0.496 616 H N -0.664 118.192 119.070 -0.357 0.000 2.489 616 H HA -0.111 4.451 4.556 0.011 0.000 0.293 616 H C 1.861 176.950 175.328 -0.399 0.000 1.066 616 H CA 1.812 57.441 56.048 -0.699 0.000 1.305 616 H CB -0.971 28.661 29.762 -0.217 0.000 1.386 616 H HN 0.357 nan 8.280 nan 0.000 0.551 617 L N -0.000 120.851 121.223 -0.620 0.000 2.354 617 L HA 0.096 4.442 4.340 0.010 0.000 0.212 617 L C 2.570 179.424 176.870 -0.027 0.000 1.091 617 L CA 0.176 54.853 54.840 -0.271 0.000 0.828 617 L CB -0.016 41.903 42.059 -0.234 0.000 0.973 617 L HN 0.110 nan 8.230 nan 0.000 0.461 618 I N 0.384 120.861 120.570 -0.155 0.000 2.286 618 I HA -0.201 3.976 4.170 0.010 0.000 0.245 618 I C 2.700 178.715 176.117 -0.170 0.000 1.104 618 I CA 1.219 62.407 61.300 -0.187 0.000 1.397 618 I CB -0.281 37.667 38.000 -0.086 0.000 1.072 618 I HN 0.163 nan 8.210 nan 0.000 0.417 619 A N -1.099 121.524 122.820 -0.328 0.000 2.016 619 A HA 0.001 4.327 4.320 0.010 0.000 0.217 619 A C 1.233 178.711 177.584 -0.177 0.000 1.162 619 A CA 1.419 53.284 52.037 -0.286 0.000 0.662 619 A CB -0.105 18.529 19.000 -0.610 0.000 0.812 619 A HN 0.402 nan 8.150 nan 0.000 0.450 620 T N -3.727 110.720 114.554 -0.179 0.000 2.886 620 T HA 0.492 4.848 4.350 0.010 0.000 0.330 620 T C 0.102 174.770 174.700 -0.052 0.000 1.488 620 T CA 0.169 62.214 62.100 -0.092 0.000 1.054 620 T CB 1.369 70.177 68.868 -0.101 0.000 1.348 620 T HN 0.514 nan 8.240 nan 0.000 0.489 621 A N 2.224 125.032 122.820 -0.020 0.000 2.238 621 A HA 0.479 4.805 4.320 0.010 0.000 0.210 621 A C 1.215 178.783 177.584 -0.025 0.000 1.179 621 A CA 0.233 52.263 52.037 -0.012 0.000 0.827 621 A CB -0.218 18.782 19.000 -0.001 0.000 0.856 621 A HN 0.710 nan 8.150 nan 0.000 0.488 622 S N 0.452 116.134 115.700 -0.031 0.000 2.617 622 S HA 0.348 4.824 4.470 0.010 0.000 0.259 622 S C 0.763 175.340 174.600 -0.040 0.000 1.301 622 S CA 0.177 58.357 58.200 -0.034 0.000 0.984 622 S CB 0.485 63.667 63.200 -0.029 0.000 0.954 622 S HN 0.660 nan 8.310 nan 0.000 0.572 623 T N -1.146 113.377 114.554 -0.053 0.000 2.913 623 T HA 0.480 4.836 4.350 0.010 0.000 0.297 623 T C 0.496 175.163 174.700 -0.055 0.000 1.029 623 T CA -0.412 61.640 62.100 -0.080 0.000 1.104 623 T CB 0.320 69.119 68.868 -0.114 0.000 0.964 623 T HN 0.611 nan 8.240 nan 0.000 0.532 624 I N 1.339 121.882 120.570 -0.046 0.000 5.061 624 I HA 0.206 4.383 4.170 0.010 0.000 0.336 624 I C 0.973 177.124 176.117 0.057 0.000 1.247 624 I CA -0.539 60.771 61.300 0.017 0.000 1.418 624 I CB 0.519 38.543 38.000 0.041 0.000 1.467 624 I HN 0.844 nan 8.210 nan 0.000 0.510 625 Y N 0.728 120.998 120.300 -0.050 0.000 2.444 625 Y HA 0.425 4.982 4.550 0.010 0.000 0.252 625 Y C 0.910 176.770 175.900 -0.067 0.000 1.091 625 Y CA 0.129 58.182 58.100 -0.078 0.000 1.276 625 Y CB -0.728 37.639 38.460 -0.156 0.000 1.170 625 Y HN 0.007 nan 8.280 nan 0.000 0.517 626 T N -0.271 113.882 114.554 -0.669 0.000 2.899 626 T HA 0.428 4.784 4.350 0.010 0.000 0.284 626 T C 0.367 174.931 174.700 -0.227 0.000 1.004 626 T CA -0.354 61.449 62.100 -0.495 0.000 1.043 626 T CB 1.761 70.299 68.868 -0.550 0.000 1.013 626 T HN 0.189 nan 8.240 nan 0.000 0.518 627 T N 0.000 114.460 114.554 -0.156 0.000 3.816 627 T HA 0.000 4.356 4.350 0.010 0.000 0.228 627 T CA 0.000 62.041 62.100 -0.099 0.000 1.349 627 T CB 0.000 68.825 68.868 -0.072 0.000 0.612 627 T HN 0.000 nan 8.240 nan 0.000 0.658