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 2acv_1_A DATA FIRST_RESID 3 DATA SEQUENCE MSDINKNSEL IFIPAPGIGH LASALEFAKL LTNHDKNLYI TVFCIKFPGM DATA SEQUENCE PFADSYIKSV LASQPQIQLI DLPEVEPPPQ ELLKSPEFYI LTFLESLIPH DATA SEQUENCE VKATIKTILS NKVVGLVLDF FCVSMIDVGN EFGIPSYLFL TSNVGFLSLM DATA SEQUENCE LSLKNRQIEE VFDDSDRDHQ LLNIPGISNQ VPSNVLPDAC FNKDGGYIAY DATA SEQUENCE YKLAERFRDT KGIIVNTFSD LEQSSIDALY DHDEKIPPIY AVGPLLDLKG DATA SEQUENCE QPNPKLDQAQ HDLILKWLDE QPDKSVVFLC FGSMGVSFGP SQIREIALGL DATA SEQUENCE KHSGVRFLWS NSAEKKVFPE GFLEWMELEG KGMICGWAPQ VEVLAHKAIG DATA SEQUENCE GFVSHCGWNS ILESMWFGVP ILTWPIYAEQ QLNAFRLVKE WGVGLGLRVD DATA SEQUENCE YRKGSDVVAA EEIEKGLKDL MDKDSIVHKK VQEMKEMSRN AVVDGGSSLI DATA SEQUENCE SVGKLIDDIT G 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 3 M HA 0.000 nan 4.480 nan 0.000 0.227 3 M C 0.000 176.303 176.300 0.006 0.000 1.140 3 M CA 0.000 55.302 55.300 0.003 0.000 0.988 3 M CB 0.000 32.602 32.600 0.004 0.000 1.302 4 S N 1.190 116.894 115.700 0.007 0.000 2.370 4 S HA -0.160 4.307 4.470 -0.005 0.000 0.226 4 S C 1.269 175.876 174.600 0.011 0.000 1.033 4 S CA 2.399 60.605 58.200 0.009 0.000 1.011 4 S CB -0.108 63.097 63.200 0.009 0.000 0.852 4 S HN 0.373 nan 8.310 nan 0.000 0.457 5 D N 1.247 121.653 120.400 0.010 0.000 2.084 5 D HA -0.044 4.593 4.640 -0.005 0.000 0.194 5 D C 1.918 178.226 176.300 0.013 0.000 0.990 5 D CA 1.319 55.327 54.000 0.014 0.000 0.826 5 D CB -0.513 40.293 40.800 0.011 0.000 0.971 5 D HN 0.453 nan 8.370 nan 0.000 0.453 6 I N 0.763 121.336 120.570 0.005 0.000 2.151 6 I HA -0.326 3.841 4.170 -0.005 0.000 0.243 6 I C 2.130 178.251 176.117 0.007 0.000 1.080 6 I CA 1.118 62.418 61.300 0.000 0.000 1.339 6 I CB -0.323 37.675 38.000 -0.003 0.000 1.039 6 I HN -0.001 nan 8.210 nan 0.000 0.409 7 N N 1.166 119.872 118.700 0.011 0.000 2.149 7 N HA -0.195 4.542 4.740 -0.005 0.000 0.188 7 N C 1.692 177.213 175.510 0.020 0.000 1.019 7 N CA 1.539 54.598 53.050 0.014 0.000 0.857 7 N CB -0.004 38.492 38.487 0.014 0.000 0.997 7 N HN 0.253 nan 8.380 nan 0.000 0.426 8 K N -0.263 120.150 120.400 0.023 0.000 2.228 8 K HA 0.058 4.375 4.320 -0.005 0.000 0.202 8 K C -0.013 176.613 176.600 0.043 0.000 1.051 8 K CA 0.137 56.442 56.287 0.029 0.000 0.960 8 K CB -0.117 32.400 32.500 0.028 0.000 0.743 8 K HN 0.344 nan 8.250 nan 0.000 0.458 9 N N 1.174 119.903 118.700 0.048 0.000 2.492 9 N HA 0.034 4.771 4.740 -0.005 0.000 0.262 9 N C -0.932 174.615 175.510 0.062 0.000 1.202 9 N CA 0.068 53.163 53.050 0.075 0.000 0.926 9 N CB 0.807 39.313 38.487 0.032 0.000 1.078 9 N HN -0.071 nan 8.380 nan 0.000 0.454 10 S N 0.811 116.568 115.700 0.096 0.000 2.564 10 S HA 0.347 4.814 4.470 -0.005 0.000 0.274 10 S C -1.073 173.582 174.600 0.091 0.000 1.124 10 S CA -0.817 57.423 58.200 0.067 0.000 0.869 10 S CB 2.616 65.842 63.200 0.043 0.000 1.105 10 S HN 0.592 nan 8.310 nan 0.000 0.472 11 E N 1.317 121.551 120.200 0.056 0.000 2.314 11 E HA 0.635 4.982 4.350 -0.005 0.000 0.272 11 E C -1.784 174.836 176.600 0.034 0.000 0.884 11 E CA -0.538 55.895 56.400 0.054 0.000 0.753 11 E CB 1.223 30.941 29.700 0.031 0.000 1.213 11 E HN 0.497 nan 8.360 nan 0.000 0.432 12 L N 4.331 125.573 121.223 0.032 0.000 2.354 12 L HA 0.579 4.917 4.340 -0.005 0.000 0.269 12 L C -0.531 176.374 176.870 0.059 0.000 1.005 12 L CA -0.970 53.913 54.840 0.071 0.000 0.819 12 L CB 1.908 44.058 42.059 0.152 0.000 1.311 12 L HN 0.532 nan 8.230 nan 0.000 0.423 13 I N 1.976 122.564 120.570 0.030 0.000 2.355 13 I HA 0.299 4.466 4.170 -0.005 0.000 0.288 13 I C -0.963 175.158 176.117 0.007 0.000 0.999 13 I CA -0.351 60.869 61.300 -0.134 0.000 1.163 13 I CB 1.310 39.095 38.000 -0.358 0.000 1.316 13 I HN 0.275 nan 8.210 nan 0.000 0.454 14 F N 6.837 126.621 119.950 -0.277 0.000 2.408 14 F HA 0.468 4.992 4.527 -0.005 0.000 0.344 14 F C 0.417 176.147 175.800 -0.117 0.000 1.112 14 F CA -0.722 57.194 58.000 -0.140 0.000 1.096 14 F CB 1.107 40.055 39.000 -0.085 0.000 1.129 14 F HN 0.225 nan 8.300 nan 0.000 0.486 15 I N 6.456 127.086 120.570 0.101 0.000 2.668 15 I HA 0.215 4.382 4.170 -0.005 0.000 0.276 15 I C -2.405 173.828 176.117 0.193 0.000 1.139 15 I CA -1.712 59.687 61.300 0.165 0.000 1.133 15 I CB 0.964 39.054 38.000 0.150 0.000 1.327 15 I HN 0.290 nan 8.210 nan 0.000 0.520 16 P HA 0.341 nan 4.420 nan 0.000 0.278 16 P C -0.435 177.011 177.300 0.242 0.000 1.266 16 P CA -0.316 62.949 63.100 0.275 0.000 0.807 16 P CB 1.541 33.434 31.700 0.321 0.000 1.094 17 A N 1.417 124.375 122.820 0.229 0.000 2.286 17 A HA 0.616 4.934 4.320 -0.005 0.000 0.286 17 A C -2.249 175.409 177.584 0.124 0.000 1.097 17 A CA -1.656 50.450 52.037 0.115 0.000 0.821 17 A CB -1.099 17.843 19.000 -0.097 0.000 1.076 17 A HN 0.391 nan 8.150 nan 0.000 0.490 18 P HA 0.437 nan 4.420 nan 0.000 0.272 18 P C 0.428 177.716 177.300 -0.020 0.000 1.240 18 P CA 1.518 64.649 63.100 0.052 0.000 0.791 18 P CB 0.474 32.178 31.700 0.006 0.000 0.978 19 G N 0.625 109.407 108.800 -0.030 0.000 2.731 19 G HA2 -0.214 3.743 3.960 -0.005 0.000 0.686 19 G HA3 -0.214 3.743 3.960 -0.005 0.000 0.686 19 G C -0.377 174.270 174.900 -0.422 0.000 1.395 19 G CA -0.736 44.191 45.100 -0.289 0.000 0.870 19 G HN 0.678 nan 8.290 nan 0.000 0.591 20 I N 1.422 121.314 120.570 -1.131 0.000 2.836 20 I HA 0.413 4.580 4.170 -0.005 0.000 0.285 20 I C 1.694 177.684 176.117 -0.211 0.000 1.174 20 I CA 1.943 62.846 61.300 -0.663 0.000 1.405 20 I CB 0.758 38.268 38.000 -0.817 0.000 1.385 20 I HN 2.359 nan 8.210 nan 0.000 0.594 21 G N 4.746 113.529 108.800 -0.028 0.000 2.313 21 G HA2 -0.228 3.729 3.960 -0.005 0.000 0.215 21 G HA3 -0.228 3.729 3.960 -0.005 0.000 0.215 21 G C 0.898 175.726 174.900 -0.121 0.000 1.023 21 G CA 0.236 45.317 45.100 -0.031 0.000 0.626 21 G HN 0.710 nan 8.290 nan 0.000 0.503 22 H N -0.576 118.565 119.070 0.119 0.000 2.735 22 H HA 0.397 4.950 4.556 -0.005 0.000 0.250 22 H C 2.577 178.053 175.328 0.248 0.000 0.948 22 H CA 0.587 56.752 56.048 0.194 0.000 1.137 22 H CB 0.342 30.220 29.762 0.193 0.000 1.440 22 H HN 0.302 nan 8.280 nan 0.000 0.444 23 L N 0.524 121.937 121.223 0.317 0.000 2.095 23 L HA 0.016 4.353 4.340 -0.005 0.000 0.204 23 L C 2.728 179.811 176.870 0.354 0.000 1.080 23 L CA 0.933 55.978 54.840 0.341 0.000 0.759 23 L CB -0.261 42.013 42.059 0.359 0.000 0.914 23 L HN 0.143 nan 8.230 nan 0.000 0.439 24 A N 0.433 123.459 122.820 0.344 0.000 1.869 24 A HA -0.305 4.012 4.320 -0.005 0.000 0.218 24 A C 2.472 180.210 177.584 0.257 0.000 1.203 24 A CA 2.678 54.909 52.037 0.323 0.000 0.638 24 A CB -1.014 18.161 19.000 0.292 0.000 0.831 24 A HN 0.560 nan 8.150 nan 0.000 0.450 25 S N -0.039 115.831 115.700 0.282 0.000 2.402 25 S HA 0.084 4.551 4.470 -0.005 0.000 0.229 25 S C 2.056 176.904 174.600 0.415 0.000 1.021 25 S CA 1.352 59.758 58.200 0.344 0.000 0.974 25 S CB -0.675 62.752 63.200 0.377 0.000 0.800 25 S HN 0.984 nan 8.310 nan 0.000 0.484 26 A N 1.883 124.956 122.820 0.422 0.000 1.930 26 A HA 0.165 4.482 4.320 -0.005 0.000 0.217 26 A C 2.258 179.975 177.584 0.221 0.000 1.175 26 A CA 1.107 53.281 52.037 0.228 0.000 0.627 26 A CB -0.581 18.629 19.000 0.350 0.000 0.815 26 A HN 0.473 nan 8.150 nan 0.000 0.443 27 L N -0.264 121.070 121.223 0.184 0.000 2.109 27 L HA -0.061 4.277 4.340 -0.005 0.000 0.207 27 L C 2.397 179.285 176.870 0.030 0.000 1.086 27 L CA 1.425 56.303 54.840 0.063 0.000 0.760 27 L CB -1.359 40.724 42.059 0.040 0.000 0.910 27 L HN 0.397 nan 8.230 nan 0.000 0.437 28 E N -0.754 119.504 120.200 0.096 0.000 2.150 28 E HA -0.218 4.129 4.350 -0.005 0.000 0.193 28 E C 2.023 178.698 176.600 0.124 0.000 0.985 28 E CA 0.826 57.273 56.400 0.079 0.000 0.814 28 E CB -0.258 29.501 29.700 0.097 0.000 0.752 28 E HN 0.327 nan 8.360 nan 0.000 0.466 29 F N 1.545 121.486 119.950 -0.014 0.000 2.146 29 F HA -0.033 4.491 4.527 -0.005 0.000 0.298 29 F C 2.189 177.965 175.800 -0.040 0.000 1.096 29 F CA 1.105 59.080 58.000 -0.041 0.000 1.275 29 F CB -0.532 38.293 39.000 -0.292 0.000 1.008 29 F HN -0.042 nan 8.300 nan 0.000 0.480 30 A N 0.333 123.027 122.820 -0.210 0.000 1.933 30 A HA -0.198 4.119 4.320 -0.005 0.000 0.218 30 A C 2.304 179.652 177.584 -0.394 0.000 1.175 30 A CA 1.778 53.478 52.037 -0.562 0.000 0.628 30 A CB -0.642 17.914 19.000 -0.741 0.000 0.814 30 A HN 0.446 nan 8.150 nan 0.000 0.444 31 K N -1.034 119.225 120.400 -0.234 0.000 2.103 31 K HA -0.047 4.270 4.320 -0.005 0.000 0.204 31 K C 1.919 178.429 176.600 -0.151 0.000 1.052 31 K CA 1.161 57.340 56.287 -0.180 0.000 0.945 31 K CB -0.327 32.104 32.500 -0.116 0.000 0.722 31 K HN 0.393 nan 8.250 nan 0.000 0.443 32 L N 1.326 122.495 121.223 -0.091 0.000 2.017 32 L HA -0.167 4.170 4.340 -0.005 0.000 0.208 32 L C 1.960 178.817 176.870 -0.021 0.000 1.073 32 L CA 1.483 56.329 54.840 0.010 0.000 0.745 32 L CB -0.511 41.625 42.059 0.128 0.000 0.894 32 L HN 0.029 nan 8.230 nan 0.000 0.432 33 L N -0.426 120.663 121.223 -0.222 0.000 1.989 33 L HA -0.222 4.115 4.340 -0.005 0.000 0.211 33 L C 2.776 179.530 176.870 -0.194 0.000 1.071 33 L CA 2.527 57.213 54.840 -0.256 0.000 0.749 33 L CB -1.460 40.310 42.059 -0.480 0.000 0.890 33 L HN 0.620 nan 8.230 nan 0.000 0.431 34 T N -3.775 110.625 114.554 -0.256 0.000 2.833 34 T HA -0.152 4.195 4.350 -0.005 0.000 0.269 34 T C 1.777 176.338 174.700 -0.232 0.000 1.054 34 T CA 1.278 63.221 62.100 -0.262 0.000 1.135 34 T CB -0.496 68.190 68.868 -0.304 0.000 0.869 34 T HN 0.220 nan 8.240 nan 0.000 0.466 35 N N 1.195 119.755 118.700 -0.233 0.000 2.381 35 N HA -0.068 4.669 4.740 -0.005 0.000 0.182 35 N C 1.295 176.541 175.510 -0.439 0.000 1.025 35 N CA 0.912 53.770 53.050 -0.319 0.000 0.888 35 N CB -0.325 37.946 38.487 -0.361 0.000 0.965 35 N HN 0.602 nan 8.380 nan 0.000 0.438 36 H N -1.130 117.878 119.070 -0.104 0.000 2.549 36 H HA 0.201 4.755 4.556 -0.005 0.000 0.279 36 H C -0.485 174.794 175.328 -0.082 0.000 1.018 36 H CA 0.135 56.137 56.048 -0.077 0.000 1.175 36 H CB 0.760 30.487 29.762 -0.058 0.000 1.485 36 H HN 0.072 nan 8.280 nan 0.000 0.543 37 D N 0.431 120.799 120.400 -0.054 0.000 2.333 37 D HA 0.046 4.683 4.640 -0.005 0.000 0.225 37 D C 0.711 176.934 176.300 -0.128 0.000 1.345 37 D CA -0.378 53.582 54.000 -0.066 0.000 0.971 37 D CB 0.916 41.680 40.800 -0.059 0.000 1.451 37 D HN -0.221 nan 8.370 nan 0.000 0.561 38 K N 1.746 122.079 120.400 -0.112 0.000 2.360 38 K HA -0.008 4.309 4.320 -0.005 0.000 0.201 38 K C 0.549 177.055 176.600 -0.156 0.000 1.046 38 K CA 0.657 56.858 56.287 -0.143 0.000 0.945 38 K CB -0.075 32.373 32.500 -0.086 0.000 0.750 38 K HN 0.465 nan 8.250 nan 0.000 0.464 39 N N 0.333 118.984 118.700 -0.082 0.000 2.235 39 N HA 0.024 4.761 4.740 -0.005 0.000 0.209 39 N C -0.623 174.909 175.510 0.035 0.000 1.122 39 N CA -0.228 52.841 53.050 0.033 0.000 0.845 39 N CB 0.373 38.899 38.487 0.065 0.000 1.004 39 N HN -0.073 nan 8.380 nan 0.000 0.499 40 L N 1.187 122.316 121.223 -0.156 0.000 2.272 40 L HA 0.404 4.741 4.340 -0.005 0.000 0.289 40 L C -1.399 175.284 176.870 -0.312 0.000 1.032 40 L CA -0.730 54.034 54.840 -0.127 0.000 0.810 40 L CB -0.004 41.967 42.059 -0.147 0.000 1.205 40 L HN -0.006 nan 8.230 nan 0.000 0.422 41 Y N 5.136 125.377 120.300 -0.097 0.000 2.446 41 Y HA 0.683 5.230 4.550 -0.005 0.000 0.338 41 Y C -0.099 175.716 175.900 -0.142 0.000 1.055 41 Y CA -0.590 57.442 58.100 -0.113 0.000 1.101 41 Y CB 1.762 40.173 38.460 -0.082 0.000 1.221 41 Y HN 0.407 nan 8.280 nan 0.000 0.460 42 I N 1.669 122.196 120.570 -0.073 0.000 2.582 42 I HA 0.388 4.555 4.170 -0.005 0.000 0.292 42 I C -0.880 175.150 176.117 -0.146 0.000 1.066 42 I CA -0.666 60.521 61.300 -0.188 0.000 1.053 42 I CB 2.414 40.117 38.000 -0.494 0.000 1.241 42 I HN 0.503 nan 8.210 nan 0.000 0.421 43 T N 4.990 119.471 114.554 -0.121 0.000 2.786 43 T HA 0.446 4.794 4.350 -0.005 0.000 0.283 43 T C -0.362 174.279 174.700 -0.098 0.000 0.992 43 T CA -0.442 61.619 62.100 -0.065 0.000 0.954 43 T CB 1.683 70.541 68.868 -0.017 0.000 0.934 43 T HN 0.174 nan 8.240 nan 0.000 0.440 44 V N 4.916 124.825 119.914 -0.010 0.000 2.370 44 V HA 0.406 4.523 4.120 -0.005 0.000 0.279 44 V C -0.492 175.775 176.094 0.287 0.000 1.029 44 V CA -0.918 61.425 62.300 0.072 0.000 0.870 44 V CB 0.476 32.320 31.823 0.036 0.000 0.984 44 V HN 0.702 nan 8.190 nan 0.000 0.451 45 F N 3.243 123.266 119.950 0.121 0.000 2.445 45 F HA 0.296 4.820 4.527 -0.005 0.000 0.359 45 F C 0.668 176.543 175.800 0.125 0.000 1.101 45 F CA -1.188 56.876 58.000 0.106 0.000 1.177 45 F CB 0.620 39.681 39.000 0.102 0.000 1.110 45 F HN 0.382 nan 8.300 nan 0.000 0.522 46 C N 6.489 125.960 119.300 0.286 0.000 2.239 46 C HA 0.517 4.975 4.460 -0.005 0.000 0.325 46 C C 0.668 175.775 174.990 0.196 0.000 1.231 46 C CA -1.090 58.063 59.018 0.225 0.000 1.652 46 C CB -1.131 26.719 27.740 0.184 0.000 2.284 46 C HN 0.514 nan 8.230 nan 0.000 0.499 47 I N 3.174 123.879 120.570 0.226 0.000 2.396 47 I HA 0.255 4.422 4.170 -0.005 0.000 0.292 47 I C 0.245 176.534 176.117 0.287 0.000 0.999 47 I CA -0.168 61.272 61.300 0.233 0.000 1.310 47 I CB 0.968 39.122 38.000 0.256 0.000 1.404 47 I HN 0.444 nan 8.210 nan 0.000 0.496 48 K N 6.646 127.221 120.400 0.292 0.000 2.264 48 K HA 0.286 4.603 4.320 -0.005 0.000 0.277 48 K C -1.127 175.686 176.600 0.354 0.000 1.067 48 K CA -0.174 56.278 56.287 0.276 0.000 0.900 48 K CB 0.303 32.910 32.500 0.179 0.000 1.124 48 K HN 0.296 nan 8.250 nan 0.000 0.469 49 F N 6.852 126.871 119.950 0.115 0.000 2.396 49 F HA 0.397 4.921 4.527 -0.005 0.000 0.343 49 F C -1.825 173.886 175.800 -0.148 0.000 1.104 49 F CA -2.468 55.464 58.000 -0.114 0.000 1.161 49 F CB 0.731 39.700 39.000 -0.052 0.000 1.146 49 F HN 0.561 nan 8.300 nan 0.000 0.522 50 P HA 0.071 nan 4.420 nan 0.000 0.257 50 P C 0.098 177.212 177.300 -0.310 0.000 1.189 50 P CA 0.760 63.523 63.100 -0.561 0.000 0.780 50 P CB 0.019 31.309 31.700 -0.683 0.000 0.772 51 G N 2.977 111.706 108.800 -0.119 0.000 2.351 51 G HA2 -0.218 3.739 3.960 -0.005 0.000 0.297 51 G HA3 -0.218 3.739 3.960 -0.005 0.000 0.297 51 G C -0.357 174.578 174.900 0.057 0.000 1.054 51 G CA 0.254 45.334 45.100 -0.033 0.000 1.123 51 G HN 0.694 nan 8.290 nan 0.000 0.512 52 M N -0.280 119.386 119.600 0.111 0.000 2.465 52 M HA 0.557 5.034 4.480 -0.005 0.000 0.284 52 M C -2.378 174.012 176.300 0.151 0.000 1.212 52 M CA -1.677 53.739 55.300 0.193 0.000 0.910 52 M CB 1.670 34.504 32.600 0.389 0.000 1.725 52 M HN 0.043 nan 8.290 nan 0.000 0.477 53 P HA 0.514 nan 4.420 nan 0.000 0.343 53 P C -1.010 176.363 177.300 0.122 0.000 1.358 53 P CA 0.106 63.190 63.100 -0.027 0.000 0.802 53 P CB 0.214 31.721 31.700 -0.321 0.000 1.886 54 F N -3.274 116.641 119.950 -0.058 0.000 3.039 54 F HA -0.182 4.342 4.527 -0.005 0.000 0.287 54 F C 0.895 176.777 175.800 0.137 0.000 0.956 54 F CA 0.053 58.025 58.000 -0.046 0.000 0.971 54 F CB -2.147 36.737 39.000 -0.192 0.000 0.943 54 F HN 0.179 nan 8.300 nan 0.000 0.766 55 A N -0.017 122.932 122.820 0.215 0.000 3.054 55 A HA 0.392 4.709 4.320 -0.005 0.000 0.207 55 A C 1.567 179.275 177.584 0.206 0.000 1.942 55 A CA 0.540 52.697 52.037 0.199 0.000 0.878 55 A CB -0.097 18.975 19.000 0.121 0.000 1.860 55 A HN 0.181 nan 8.150 nan 0.000 0.706 56 D N -0.314 120.170 120.400 0.140 0.000 2.116 56 D HA -0.138 4.499 4.640 -0.005 0.000 0.193 56 D C 2.182 178.538 176.300 0.093 0.000 0.998 56 D CA 1.935 56.000 54.000 0.109 0.000 0.836 56 D CB -0.465 40.379 40.800 0.074 0.000 0.951 56 D HN 0.368 nan 8.370 nan 0.000 0.449 57 S N -0.863 114.887 115.700 0.083 0.000 2.368 57 S HA -0.282 4.185 4.470 -0.005 0.000 0.226 57 S C 2.031 176.684 174.600 0.087 0.000 1.044 57 S CA 1.440 59.676 58.200 0.060 0.000 1.062 57 S CB -0.583 62.639 63.200 0.037 0.000 0.931 57 S HN 0.376 nan 8.310 nan 0.000 0.440 58 Y N 1.855 122.173 120.300 0.029 0.000 2.114 58 Y HA -0.086 4.461 4.550 -0.005 0.000 0.284 58 Y C 1.985 177.946 175.900 0.101 0.000 1.143 58 Y CA 1.844 59.986 58.100 0.071 0.000 1.135 58 Y CB -0.669 37.876 38.460 0.141 0.000 0.980 58 Y HN 0.327 nan 8.280 nan 0.000 0.499 59 I N 0.400 120.955 120.570 -0.025 0.000 2.127 59 I HA -0.377 3.790 4.170 -0.005 0.000 0.241 59 I C 2.374 178.411 176.117 -0.133 0.000 1.075 59 I CA 1.999 63.230 61.300 -0.116 0.000 1.334 59 I CB -0.535 37.506 38.000 0.069 0.000 1.040 59 I HN 0.187 nan 8.210 nan 0.000 0.405 60 K N 0.244 120.609 120.400 -0.057 0.000 2.103 60 K HA -0.184 4.133 4.320 -0.005 0.000 0.207 60 K C 2.366 178.917 176.600 -0.082 0.000 1.048 60 K CA 1.665 57.920 56.287 -0.054 0.000 0.930 60 K CB -0.282 32.205 32.500 -0.021 0.000 0.716 60 K HN 0.185 nan 8.250 nan 0.000 0.444 61 S N 0.572 116.213 115.700 -0.098 0.000 2.356 61 S HA -0.124 4.343 4.470 -0.005 0.000 0.223 61 S C 2.003 176.523 174.600 -0.132 0.000 1.032 61 S CA 1.189 59.333 58.200 -0.093 0.000 1.005 61 S CB -0.153 63.007 63.200 -0.066 0.000 0.867 61 S HN 0.090 nan 8.310 nan 0.000 0.449 62 V N 2.042 121.809 119.914 -0.245 0.000 2.295 62 V HA -0.120 3.997 4.120 -0.005 0.000 0.246 62 V C 2.380 178.395 176.094 -0.132 0.000 1.049 62 V CA 1.770 63.938 62.300 -0.220 0.000 1.024 62 V CB -0.683 30.932 31.823 -0.347 0.000 0.648 62 V HN 0.472 nan 8.190 nan 0.000 0.447 63 L N 0.286 121.433 121.223 -0.127 0.000 2.141 63 L HA 0.040 4.377 4.340 -0.005 0.000 0.209 63 L C 1.590 178.410 176.870 -0.083 0.000 1.094 63 L CA 0.780 55.559 54.840 -0.101 0.000 0.763 63 L CB -0.751 41.250 42.059 -0.096 0.000 0.908 63 L HN 0.420 nan 8.230 nan 0.000 0.437 64 A N 0.928 123.704 122.820 -0.073 0.000 2.364 64 A HA -0.219 4.098 4.320 -0.005 0.000 0.288 64 A C 0.711 178.262 177.584 -0.054 0.000 1.433 64 A CA 0.733 52.736 52.037 -0.056 0.000 0.757 64 A CB -1.658 17.312 19.000 -0.049 0.000 1.098 64 A HN 0.689 nan 8.150 nan 0.000 0.380 65 S N -1.188 114.480 115.700 -0.053 0.000 3.024 65 S HA -0.057 4.410 4.470 -0.005 0.000 0.819 65 S C -0.700 173.861 174.600 -0.065 0.000 0.863 65 S CA 1.034 59.204 58.200 -0.051 0.000 1.423 65 S CB -0.462 62.714 63.200 -0.041 0.000 1.032 65 S HN 1.673 nan 8.310 nan 0.000 0.510 66 Q N 4.406 124.164 119.800 -0.070 0.000 2.406 66 Q HA 0.257 4.594 4.340 -0.005 0.000 0.244 66 Q C -2.194 173.756 176.000 -0.082 0.000 0.884 66 Q CA -1.400 54.346 55.803 -0.095 0.000 0.813 66 Q CB 1.896 30.560 28.738 -0.124 0.000 1.368 66 Q HN 0.417 nan 8.270 nan 0.000 0.439 67 P HA -0.142 nan 4.420 nan 0.000 0.221 67 P C 0.579 177.869 177.300 -0.016 0.000 1.145 67 P CA 1.374 64.458 63.100 -0.028 0.000 0.795 67 P CB 0.459 32.143 31.700 -0.026 0.000 0.775 68 Q N -1.149 118.550 119.800 -0.169 0.000 2.280 68 Q HA 0.235 4.572 4.340 -0.005 0.000 0.201 68 Q C 0.130 176.026 176.000 -0.173 0.000 0.890 68 Q CA 0.066 55.666 55.803 -0.338 0.000 0.947 68 Q CB 0.300 28.651 28.738 -0.644 0.000 1.081 68 Q HN 0.307 nan 8.270 nan 0.000 0.502 69 I N 1.659 122.162 120.570 -0.112 0.000 2.478 69 I HA 0.211 4.378 4.170 -0.005 0.000 0.287 69 I C -0.639 175.442 176.117 -0.059 0.000 1.042 69 I CA -0.856 60.370 61.300 -0.123 0.000 1.067 69 I CB 1.803 39.689 38.000 -0.190 0.000 1.233 69 I HN 0.024 nan 8.210 nan 0.000 0.431 70 Q N 6.693 126.473 119.800 -0.033 0.000 2.413 70 Q HA 0.833 5.170 4.340 -0.005 0.000 0.276 70 Q C -1.645 174.365 176.000 0.017 0.000 1.099 70 Q CA -1.055 54.748 55.803 0.001 0.000 0.814 70 Q CB 2.905 31.658 28.738 0.026 0.000 1.379 70 Q HN 0.568 nan 8.270 nan 0.000 0.436 71 L N -0.604 120.644 121.223 0.042 0.000 2.354 71 L HA 0.787 5.124 4.340 -0.005 0.000 0.269 71 L C -1.223 175.711 176.870 0.107 0.000 1.005 71 L CA -0.880 54.012 54.840 0.085 0.000 0.819 71 L CB 1.618 43.721 42.059 0.073 0.000 1.311 71 L HN 0.756 nan 8.230 nan 0.000 0.423 72 I N 1.672 122.341 120.570 0.165 0.000 2.478 72 I HA 0.346 4.513 4.170 -0.005 0.000 0.287 72 I C -1.083 175.078 176.117 0.074 0.000 1.042 72 I CA -0.514 60.851 61.300 0.109 0.000 1.067 72 I CB 1.931 40.001 38.000 0.115 0.000 1.233 72 I HN 0.622 nan 8.210 nan 0.000 0.431 73 D N 6.624 127.047 120.400 0.039 0.000 2.304 73 D HA 0.394 5.031 4.640 -0.005 0.000 0.250 73 D C -0.179 176.110 176.300 -0.017 0.000 1.107 73 D CA 0.035 54.059 54.000 0.040 0.000 0.885 73 D CB 1.404 42.236 40.800 0.053 0.000 1.192 73 D HN 0.264 nan 8.370 nan 0.000 0.436 74 L N 3.724 124.941 121.223 -0.010 0.000 2.350 74 L HA 0.313 4.650 4.340 -0.005 0.000 0.275 74 L C -1.865 175.037 176.870 0.054 0.000 1.099 74 L CA -1.715 53.108 54.840 -0.029 0.000 0.808 74 L CB 0.637 42.675 42.059 -0.035 0.000 1.149 74 L HN 0.140 nan 8.230 nan 0.000 0.442 75 P HA 0.016 nan 4.420 nan 0.000 0.267 75 P C -0.877 176.475 177.300 0.087 0.000 1.200 75 P CA -0.149 63.043 63.100 0.153 0.000 0.772 75 P CB 0.400 32.278 31.700 0.296 0.000 0.855 76 E N 0.656 120.895 120.200 0.066 0.000 2.360 76 E HA 0.225 4.572 4.350 -0.005 0.000 0.269 76 E C -0.397 176.202 176.600 -0.002 0.000 1.022 76 E CA -0.316 56.114 56.400 0.049 0.000 0.887 76 E CB 0.560 30.292 29.700 0.053 0.000 0.990 76 E HN 0.128 nan 8.360 nan 0.000 0.426 77 V N 2.622 122.528 119.914 -0.014 0.000 3.019 77 V HA 0.132 4.249 4.120 -0.005 0.000 0.317 77 V C 0.033 176.139 176.094 0.020 0.000 1.094 77 V CA -1.067 61.193 62.300 -0.067 0.000 1.000 77 V CB 1.995 33.692 31.823 -0.211 0.000 1.060 77 V HN 0.588 nan 8.190 nan 0.000 0.443 78 E N 3.773 123.971 120.200 -0.003 0.000 2.417 78 E HA 0.162 4.509 4.350 -0.005 0.000 0.261 78 E C -2.222 174.395 176.600 0.028 0.000 1.000 78 E CA -1.202 55.202 56.400 0.007 0.000 0.919 78 E CB 0.266 29.966 29.700 -0.000 0.000 0.955 78 E HN 0.437 nan 8.360 nan 0.000 0.455 79 P HA 0.195 nan 4.420 nan 0.000 0.274 79 P C -2.345 174.927 177.300 -0.047 0.000 1.231 79 P CA -1.162 61.896 63.100 -0.070 0.000 0.790 79 P CB 0.004 31.598 31.700 -0.177 0.000 0.951 80 P HA 0.177 nan 4.420 nan 0.000 0.272 80 P C -2.315 175.039 177.300 0.090 0.000 1.240 80 P CA -1.384 61.677 63.100 -0.065 0.000 0.791 80 P CB -1.149 30.413 31.700 -0.231 0.000 0.978 81 P HA 0.026 nan 4.420 nan 0.000 0.268 81 P C 0.909 178.344 177.300 0.226 0.000 1.204 81 P CA 0.173 63.358 63.100 0.141 0.000 0.768 81 P CB 0.727 32.491 31.700 0.106 0.000 0.842 82 Q N 1.682 121.567 119.800 0.143 0.000 2.152 82 Q HA -0.241 4.096 4.340 -0.005 0.000 0.206 82 Q C 1.341 177.371 176.000 0.050 0.000 0.985 82 Q CA 1.815 57.656 55.803 0.063 0.000 0.863 82 Q CB -0.088 28.649 28.738 -0.002 0.000 0.904 82 Q HN 0.416 nan 8.270 nan 0.000 0.422 83 E N 0.279 120.522 120.200 0.072 0.000 2.219 83 E HA -0.179 4.168 4.350 -0.005 0.000 0.198 83 E C 1.524 178.182 176.600 0.098 0.000 0.998 83 E CA 0.886 57.324 56.400 0.063 0.000 0.818 83 E CB -0.130 29.605 29.700 0.059 0.000 0.741 83 E HN 0.420 nan 8.360 nan 0.000 0.477 84 L N 0.028 121.362 121.223 0.186 0.000 2.551 84 L HA -0.014 4.323 4.340 -0.005 0.000 0.228 84 L C 1.569 178.591 176.870 0.254 0.000 1.153 84 L CA 0.169 55.173 54.840 0.274 0.000 0.851 84 L CB -0.196 42.121 42.059 0.431 0.000 0.959 84 L HN 0.176 nan 8.230 nan 0.000 0.451 85 L N 0.610 121.887 121.223 0.090 0.000 2.633 85 L HA -0.148 4.189 4.340 -0.005 0.000 0.235 85 L C 2.328 179.211 176.870 0.022 0.000 1.163 85 L CA 0.617 55.430 54.840 -0.044 0.000 0.859 85 L CB -0.421 41.508 42.059 -0.217 0.000 0.973 85 L HN 0.411 nan 8.230 nan 0.000 0.451 86 K N -0.767 119.666 120.400 0.055 0.000 2.520 86 K HA -0.085 4.233 4.320 -0.005 0.000 0.197 86 K C 0.703 177.345 176.600 0.071 0.000 1.043 86 K CA 0.661 56.974 56.287 0.044 0.000 0.944 86 K CB -0.045 32.474 32.500 0.032 0.000 0.770 86 K HN 0.118 nan 8.250 nan 0.000 0.480 87 S N 0.566 116.339 115.700 0.122 0.000 2.609 87 S HA 0.291 4.758 4.470 -0.005 0.000 0.250 87 S C -2.445 172.294 174.600 0.232 0.000 1.112 87 S CA -1.309 56.994 58.200 0.171 0.000 1.102 87 S CB 1.639 64.960 63.200 0.203 0.000 1.124 87 S HN -0.153 nan 8.310 nan 0.000 0.460 88 P HA -0.109 nan 4.420 nan 0.000 0.215 88 P C 1.038 178.489 177.300 0.252 0.000 1.157 88 P CA 1.295 64.499 63.100 0.173 0.000 0.874 88 P CB 0.212 31.978 31.700 0.109 0.000 0.790 89 E N -1.514 118.858 120.200 0.288 0.000 2.058 89 E HA -0.188 4.159 4.350 -0.005 0.000 0.194 89 E C 1.763 178.579 176.600 0.361 0.000 0.997 89 E CA 1.118 57.749 56.400 0.386 0.000 0.801 89 E CB -1.120 28.880 29.700 0.500 0.000 0.746 89 E HN 0.220 nan 8.360 nan 0.000 0.450 90 F N -0.491 119.599 119.950 0.233 0.000 2.186 90 F HA -0.169 4.356 4.527 -0.004 0.000 0.299 90 F C 2.104 178.026 175.800 0.203 0.000 1.090 90 F CA 1.081 59.201 58.000 0.201 0.000 1.307 90 F CB -0.226 38.874 39.000 0.167 0.000 1.019 90 F HN 0.071 nan 8.300 nan 0.000 0.489 91 Y N 0.517 120.945 120.300 0.213 0.000 2.145 91 Y HA -0.263 4.284 4.550 -0.005 0.000 0.286 91 Y C 2.245 178.198 175.900 0.089 0.000 1.145 91 Y CA 1.856 60.038 58.100 0.138 0.000 1.148 91 Y CB -0.453 38.092 38.460 0.141 0.000 0.981 91 Y HN -0.021 nan 8.280 nan 0.000 0.507 92 I N 0.291 120.963 120.570 0.170 0.000 2.163 92 I HA -0.316 3.851 4.170 -0.005 0.000 0.243 92 I C 2.578 178.684 176.117 -0.019 0.000 1.085 92 I CA 1.526 62.842 61.300 0.026 0.000 1.347 92 I CB -1.499 36.272 38.000 -0.382 0.000 1.044 92 I HN 0.416 nan 8.210 nan 0.000 0.408 93 L N 0.428 121.625 121.223 -0.043 0.000 2.042 93 L HA -0.253 4.084 4.340 -0.005 0.000 0.210 93 L C 2.554 179.312 176.870 -0.187 0.000 1.076 93 L CA 1.786 56.579 54.840 -0.078 0.000 0.749 93 L CB -0.380 41.602 42.059 -0.129 0.000 0.893 93 L HN 0.207 nan 8.230 nan 0.000 0.432 94 T N -0.239 114.131 114.554 -0.307 0.000 2.708 94 T HA -0.232 4.115 4.350 -0.005 0.000 0.266 94 T C 1.503 176.113 174.700 -0.150 0.000 1.037 94 T CA 1.727 63.661 62.100 -0.276 0.000 1.146 94 T CB -0.467 68.230 68.868 -0.286 0.000 0.865 94 T HN 0.433 nan 8.240 nan 0.000 0.435 95 F N 1.940 121.712 119.950 -0.297 0.000 2.102 95 F HA -0.017 4.507 4.527 -0.005 0.000 0.298 95 F C 1.883 177.608 175.800 -0.125 0.000 1.105 95 F CA 1.047 58.900 58.000 -0.246 0.000 1.239 95 F CB -0.643 38.200 39.000 -0.261 0.000 0.991 95 F HN 0.060 nan 8.300 nan 0.000 0.474 96 L N 0.018 121.100 121.223 -0.234 0.000 2.046 96 L HA -0.190 4.147 4.340 -0.005 0.000 0.208 96 L C 2.342 179.079 176.870 -0.223 0.000 1.077 96 L CA 1.706 56.379 54.840 -0.279 0.000 0.747 96 L CB -0.897 41.121 42.059 -0.067 0.000 0.896 96 L HN 0.160 nan 8.230 nan 0.000 0.432 97 E N -0.024 120.082 120.200 -0.156 0.000 2.268 97 E HA -0.168 4.180 4.350 -0.005 0.000 0.195 97 E C 2.220 178.743 176.600 -0.129 0.000 0.995 97 E CA 1.295 57.627 56.400 -0.113 0.000 0.836 97 E CB -0.043 29.602 29.700 -0.091 0.000 0.763 97 E HN 0.520 nan 8.360 nan 0.000 0.491 98 S N 0.424 116.011 115.700 -0.190 0.000 2.481 98 S HA -0.018 4.449 4.470 -0.005 0.000 0.231 98 S C 1.774 176.239 174.600 -0.226 0.000 0.996 98 S CA 0.376 58.468 58.200 -0.179 0.000 0.942 98 S CB -0.102 62.993 63.200 -0.174 0.000 0.768 98 S HN 0.188 nan 8.310 nan 0.000 0.520 99 L N 0.632 121.684 121.223 -0.285 0.000 2.592 99 L HA 0.349 4.687 4.340 -0.005 0.000 0.227 99 L C 1.889 178.711 176.870 -0.080 0.000 1.127 99 L CA -0.019 54.669 54.840 -0.254 0.000 0.884 99 L CB -0.314 41.544 42.059 -0.336 0.000 1.065 99 L HN 0.296 nan 8.230 nan 0.000 0.457 100 I N 0.863 121.404 120.570 -0.047 0.000 2.151 100 I HA -0.238 3.929 4.170 -0.005 0.000 0.243 100 I C -0.260 175.901 176.117 0.074 0.000 1.080 100 I CA 1.660 62.975 61.300 0.024 0.000 1.339 100 I CB -1.298 36.711 38.000 0.015 0.000 1.039 100 I HN 0.235 nan 8.210 nan 0.000 0.409 101 P HA -0.169 nan 4.420 nan 0.000 0.215 101 P C 1.336 178.736 177.300 0.167 0.000 1.153 101 P CA 1.644 64.822 63.100 0.130 0.000 0.853 101 P CB -0.085 31.708 31.700 0.155 0.000 0.788 102 H N -1.660 117.393 119.070 -0.028 0.000 2.428 102 H HA -0.027 4.526 4.556 -0.005 0.000 0.296 102 H C 1.851 177.137 175.328 -0.070 0.000 1.062 102 H CA 0.729 56.745 56.048 -0.054 0.000 1.350 102 H CB -1.107 28.607 29.762 -0.080 0.000 1.403 102 H HN -0.085 nan 8.280 nan 0.000 0.533 103 V N 0.681 120.653 119.914 0.098 0.000 2.307 103 V HA -0.228 3.889 4.120 -0.005 0.000 0.245 103 V C 2.452 178.638 176.094 0.153 0.000 1.045 103 V CA 1.944 64.302 62.300 0.098 0.000 1.024 103 V CB -0.365 31.565 31.823 0.179 0.000 0.651 103 V HN 0.368 nan 8.190 nan 0.000 0.449 104 K N 0.499 121.011 120.400 0.188 0.000 2.032 104 K HA -0.207 4.110 4.320 -0.005 0.000 0.209 104 K C 2.156 178.899 176.600 0.238 0.000 1.048 104 K CA 1.775 58.241 56.287 0.299 0.000 0.927 104 K CB -0.381 32.260 32.500 0.235 0.000 0.712 104 K HN 0.402 nan 8.250 nan 0.000 0.441 105 A N 0.468 123.349 122.820 0.100 0.000 1.933 105 A HA -0.131 4.186 4.320 -0.005 0.000 0.218 105 A C 2.154 179.727 177.584 -0.018 0.000 1.175 105 A CA 2.168 54.221 52.037 0.027 0.000 0.628 105 A CB -0.923 18.028 19.000 -0.081 0.000 0.814 105 A HN 0.480 nan 8.150 nan 0.000 0.444 106 T N 0.081 114.589 114.554 -0.076 0.000 2.857 106 T HA 0.005 4.353 4.350 -0.005 0.000 0.266 106 T C 1.773 176.457 174.700 -0.026 0.000 1.048 106 T CA 1.247 63.256 62.100 -0.152 0.000 1.139 106 T CB -0.316 68.260 68.868 -0.486 0.000 0.874 106 T HN 0.420 nan 8.240 nan 0.000 0.455 107 I N 0.816 121.401 120.570 0.025 0.000 2.252 107 I HA -0.146 4.021 4.170 -0.005 0.000 0.245 107 I C 2.617 178.544 176.117 -0.317 0.000 1.102 107 I CA 1.200 62.430 61.300 -0.118 0.000 1.385 107 I CB -0.279 37.503 38.000 -0.363 0.000 1.064 107 I HN 0.179 nan 8.210 nan 0.000 0.414 108 K N 0.536 120.830 120.400 -0.178 0.000 2.097 108 K HA -0.166 4.151 4.320 -0.005 0.000 0.206 108 K C 1.976 178.569 176.600 -0.011 0.000 1.049 108 K CA 1.734 58.017 56.287 -0.005 0.000 0.933 108 K CB 0.006 32.637 32.500 0.218 0.000 0.717 108 K HN 0.229 nan 8.250 nan 0.000 0.442 109 T N 1.132 115.675 114.554 -0.017 0.000 2.904 109 T HA -0.061 4.286 4.350 -0.005 0.000 0.267 109 T C 1.536 176.228 174.700 -0.013 0.000 1.059 109 T CA 1.331 63.423 62.100 -0.013 0.000 1.137 109 T CB -0.069 68.785 68.868 -0.023 0.000 0.879 109 T HN 0.475 nan 8.240 nan 0.000 0.467 110 I N -1.236 119.327 120.570 -0.013 0.000 4.025 110 I HA 0.440 4.607 4.170 -0.005 0.000 0.336 110 I C 0.206 176.303 176.117 -0.033 0.000 1.390 110 I CA -0.657 60.642 61.300 -0.002 0.000 1.099 110 I CB -0.064 37.967 38.000 0.051 0.000 1.049 110 I HN -0.015 nan 8.210 nan 0.000 0.394 111 L N 2.672 123.850 121.223 -0.075 0.000 2.483 111 L HA 0.350 4.687 4.340 -0.005 0.000 0.276 111 L C 0.350 177.195 176.870 -0.041 0.000 1.213 111 L CA 0.904 55.686 54.840 -0.096 0.000 0.843 111 L CB 0.743 42.717 42.059 -0.141 0.000 1.107 111 L HN 0.609 nan 8.230 nan 0.000 0.487 112 S N 1.723 117.405 115.700 -0.031 0.000 2.643 112 S HA 0.435 4.902 4.470 -0.005 0.000 0.270 112 S C -0.032 174.566 174.600 -0.002 0.000 1.166 112 S CA -0.524 57.666 58.200 -0.015 0.000 0.815 112 S CB 0.893 64.076 63.200 -0.028 0.000 1.139 112 S HN 0.618 nan 8.310 nan 0.000 0.472 113 N N 0.607 119.309 118.700 0.004 0.000 2.398 113 N HA 0.139 4.876 4.740 -0.005 0.000 0.188 113 N C 1.256 176.774 175.510 0.013 0.000 1.122 113 N CA 0.186 53.245 53.050 0.015 0.000 0.866 113 N CB 0.054 38.551 38.487 0.017 0.000 0.970 113 N HN 0.697 nan 8.380 nan 0.000 0.462 114 K N -0.537 119.864 120.400 0.003 0.000 2.367 114 K HA 0.145 4.462 4.320 -0.005 0.000 0.194 114 K C -0.191 176.419 176.600 0.016 0.000 1.027 114 K CA 0.076 56.367 56.287 0.007 0.000 1.075 114 K CB 0.384 32.879 32.500 -0.008 0.000 0.845 114 K HN -0.122 nan 8.250 nan 0.000 0.529 115 V N 3.584 123.504 119.914 0.010 0.000 2.425 115 V HA -0.040 4.077 4.120 -0.005 0.000 0.276 115 V C 1.188 177.304 176.094 0.037 0.000 1.017 115 V CA -0.115 62.193 62.300 0.013 0.000 1.062 115 V CB 0.958 32.774 31.823 -0.011 0.000 0.997 115 V HN 0.310 nan 8.190 nan 0.000 0.476 116 V N 2.097 122.043 119.914 0.053 0.000 3.578 116 V HA 0.790 4.907 4.120 -0.005 0.000 0.290 116 V C 0.702 176.871 176.094 0.125 0.000 1.376 116 V CA 0.555 62.903 62.300 0.081 0.000 1.083 116 V CB -0.220 31.651 31.823 0.081 0.000 0.911 116 V HN 1.037 nan 8.190 nan 0.000 0.433 117 G N -0.113 108.754 108.800 0.112 0.000 2.328 117 G HA2 0.432 4.389 3.960 -0.005 0.000 0.299 117 G HA3 0.432 4.389 3.960 -0.005 0.000 0.299 117 G C -1.739 173.232 174.900 0.118 0.000 1.435 117 G CA -0.919 44.277 45.100 0.160 0.000 0.865 117 G HN 0.222 nan 8.290 nan 0.000 0.601 118 L N -0.098 121.199 121.223 0.124 0.000 2.334 118 L HA 0.765 5.103 4.340 -0.005 0.000 0.273 118 L C -0.253 176.658 176.870 0.068 0.000 1.013 118 L CA -1.297 53.576 54.840 0.055 0.000 0.816 118 L CB 2.097 44.180 42.059 0.040 0.000 1.278 118 L HN 0.326 nan 8.230 nan 0.000 0.431 119 V N 4.186 124.049 119.914 -0.085 0.000 2.376 119 V HA 0.449 4.566 4.120 -0.005 0.000 0.287 119 V C -0.160 175.846 176.094 -0.147 0.000 1.015 119 V CA -0.327 61.845 62.300 -0.213 0.000 0.834 119 V CB 1.681 32.994 31.823 -0.850 0.000 1.001 119 V HN 0.488 nan 8.190 nan 0.000 0.428 120 L N 3.303 124.525 121.223 -0.001 0.000 2.346 120 L HA 0.614 4.951 4.340 -0.005 0.000 0.274 120 L C -0.102 176.841 176.870 0.121 0.000 1.007 120 L CA -0.659 54.217 54.840 0.059 0.000 0.818 120 L CB 2.051 44.145 42.059 0.058 0.000 1.284 120 L HN 0.539 nan 8.230 nan 0.000 0.424 121 D N 0.140 120.644 120.400 0.173 0.000 2.358 121 D HA 0.016 4.654 4.640 -0.005 0.000 0.244 121 D C 0.848 177.258 176.300 0.185 0.000 1.163 121 D CA -0.165 53.977 54.000 0.238 0.000 0.945 121 D CB 0.854 41.827 40.800 0.289 0.000 1.152 121 D HN 0.386 nan 8.370 nan 0.000 0.451 122 F N 2.012 121.971 119.950 0.016 0.000 2.115 122 F HA -0.195 4.329 4.527 -0.005 0.000 0.300 122 F C 1.240 177.013 175.800 -0.044 0.000 1.092 122 F CA 1.534 59.500 58.000 -0.058 0.000 1.245 122 F CB -0.380 38.547 39.000 -0.122 0.000 0.995 122 F HN 0.404 nan 8.300 nan 0.000 0.481 123 F N -0.294 119.586 119.950 -0.117 0.000 2.661 123 F HA 0.003 4.527 4.527 -0.005 0.000 0.298 123 F C 1.996 177.723 175.800 -0.121 0.000 1.137 123 F CA 0.487 58.344 58.000 -0.240 0.000 1.454 123 F CB -0.820 38.121 39.000 -0.099 0.000 1.103 123 F HN 0.008 nan 8.300 nan 0.000 0.577 124 C N -0.373 118.990 119.300 0.105 0.000 2.778 124 C HA 0.176 4.633 4.460 -0.005 0.000 0.294 124 C C 2.400 177.421 174.990 0.051 0.000 1.331 124 C CA -0.223 58.844 59.018 0.083 0.000 1.741 124 C CB -1.484 26.325 27.740 0.114 0.000 2.106 124 C HN 0.348 nan 8.230 nan 0.000 0.603 125 V N 0.531 120.458 119.914 0.022 0.000 3.026 125 V HA -0.108 4.009 4.120 -0.005 0.000 0.265 125 V C 2.191 178.305 176.094 0.033 0.000 1.121 125 V CA 2.353 64.674 62.300 0.035 0.000 1.142 125 V CB -1.202 30.660 31.823 0.066 0.000 0.730 125 V HN 0.619 nan 8.190 nan 0.000 0.503 126 S N -0.060 115.652 115.700 0.021 0.000 2.447 126 S HA -0.060 4.407 4.470 -0.005 0.000 0.233 126 S C 1.788 176.410 174.600 0.036 0.000 1.006 126 S CA 1.209 59.421 58.200 0.020 0.000 0.957 126 S CB -0.504 62.698 63.200 0.002 0.000 0.773 126 S HN 0.471 nan 8.310 nan 0.000 0.507 127 M N 1.227 120.857 119.600 0.050 0.000 2.632 127 M HA 0.196 4.673 4.480 -0.005 0.000 0.256 127 M C 1.723 178.070 176.300 0.079 0.000 1.080 127 M CA 0.397 55.742 55.300 0.075 0.000 1.084 127 M CB -1.291 31.365 32.600 0.094 0.000 1.439 127 M HN 0.409 nan 8.290 nan 0.000 0.509 128 I N 0.300 120.905 120.570 0.058 0.000 2.208 128 I HA -0.321 3.846 4.170 -0.005 0.000 0.245 128 I C 1.841 177.992 176.117 0.057 0.000 1.097 128 I CA 1.195 62.526 61.300 0.052 0.000 1.363 128 I CB -0.488 37.533 38.000 0.035 0.000 1.051 128 I HN 0.272 nan 8.210 nan 0.000 0.413 129 D N 0.521 120.950 120.400 0.049 0.000 2.178 129 D HA -0.120 4.517 4.640 -0.005 0.000 0.201 129 D C 2.362 178.694 176.300 0.053 0.000 0.980 129 D CA 1.111 55.135 54.000 0.039 0.000 0.842 129 D CB -0.137 40.679 40.800 0.026 0.000 0.948 129 D HN 0.203 nan 8.370 nan 0.000 0.472 130 V N 1.261 121.229 119.914 0.091 0.000 2.358 130 V HA -0.148 3.969 4.120 -0.005 0.000 0.246 130 V C 2.630 178.874 176.094 0.250 0.000 1.047 130 V CA 1.982 64.374 62.300 0.153 0.000 1.035 130 V CB -0.969 30.977 31.823 0.205 0.000 0.658 130 V HN 0.220 nan 8.190 nan 0.000 0.452 131 G N 0.384 109.312 108.800 0.213 0.000 2.418 131 G HA2 -0.268 3.689 3.960 -0.005 0.000 0.217 131 G HA3 -0.268 3.689 3.960 -0.005 0.000 0.217 131 G C 1.398 176.416 174.900 0.197 0.000 1.158 131 G CA 0.924 46.165 45.100 0.235 0.000 0.771 131 G HN 0.527 nan 8.290 nan 0.000 0.545 132 N N 1.019 119.781 118.700 0.103 0.000 2.205 132 N HA -0.078 4.659 4.740 -0.005 0.000 0.186 132 N C 2.052 177.572 175.510 0.016 0.000 1.015 132 N CA 1.037 54.119 53.050 0.054 0.000 0.862 132 N CB -0.339 38.163 38.487 0.025 0.000 0.986 132 N HN 0.532 nan 8.380 nan 0.000 0.429 133 E N -0.581 119.591 120.200 -0.046 0.000 2.209 133 E HA -0.119 4.228 4.350 -0.005 0.000 0.196 133 E C 0.533 176.938 176.600 -0.326 0.000 0.993 133 E CA 0.800 57.054 56.400 -0.242 0.000 0.819 133 E CB -0.159 29.279 29.700 -0.438 0.000 0.745 133 E HN 0.444 nan 8.360 nan 0.000 0.477 134 F N -0.697 119.271 119.950 0.030 0.000 2.664 134 F HA 0.285 4.809 4.527 -0.005 0.000 0.303 134 F C 1.426 177.242 175.800 0.027 0.000 1.092 134 F CA 0.196 58.214 58.000 0.031 0.000 1.305 134 F CB 1.035 40.059 39.000 0.041 0.000 1.054 134 F HN -0.017 nan 8.300 nan 0.000 0.565 135 G N 1.531 110.423 108.800 0.153 0.000 2.153 135 G HA2 -0.320 3.637 3.960 -0.005 0.000 0.252 135 G HA3 -0.320 3.637 3.960 -0.005 0.000 0.252 135 G C 0.103 175.068 174.900 0.108 0.000 0.994 135 G CA -0.080 45.082 45.100 0.103 0.000 0.698 135 G HN 0.361 nan 8.290 nan 0.000 0.521 136 I N 2.551 123.205 120.570 0.141 0.000 2.315 136 I HA 0.319 4.486 4.170 -0.005 0.000 0.291 136 I C -1.417 174.748 176.117 0.079 0.000 1.006 136 I CA -2.394 58.973 61.300 0.111 0.000 1.265 136 I CB 1.558 39.632 38.000 0.123 0.000 1.387 136 I HN -0.056 nan 8.210 nan 0.000 0.475 137 P HA 0.202 nan 4.420 nan 0.000 0.276 137 P C -0.750 176.538 177.300 -0.019 0.000 1.252 137 P CA -0.390 62.701 63.100 -0.015 0.000 0.802 137 P CB 1.240 32.902 31.700 -0.063 0.000 1.035 138 S N 0.337 115.986 115.700 -0.085 0.000 2.503 138 S HA 0.543 5.010 4.470 -0.005 0.000 0.301 138 S C -1.028 173.479 174.600 -0.156 0.000 1.087 138 S CA -0.210 57.966 58.200 -0.040 0.000 1.042 138 S CB 0.524 63.726 63.200 0.003 0.000 1.043 138 S HN 0.290 nan 8.310 nan 0.000 0.489 139 Y N 1.377 121.674 120.300 -0.005 0.000 2.393 139 Y HA 0.553 5.100 4.550 -0.005 0.000 0.341 139 Y C -0.241 175.645 175.900 -0.024 0.000 0.988 139 Y CA -0.923 57.176 58.100 -0.002 0.000 1.078 139 Y CB 1.240 39.700 38.460 -0.000 0.000 1.203 139 Y HN 0.489 nan 8.280 nan 0.000 0.453 140 L N 4.688 125.972 121.223 0.100 0.000 2.292 140 L HA 0.454 4.791 4.340 -0.005 0.000 0.284 140 L C -1.447 175.445 176.870 0.038 0.000 1.065 140 L CA -0.355 54.475 54.840 -0.016 0.000 0.806 140 L CB 0.205 42.121 42.059 -0.237 0.000 1.175 140 L HN 0.518 nan 8.230 nan 0.000 0.431 141 F N 6.571 126.457 119.950 -0.107 0.000 2.347 141 F HA 0.480 5.004 4.527 -0.005 0.000 0.366 141 F C -1.172 174.575 175.800 -0.088 0.000 1.107 141 F CA -0.941 56.967 58.000 -0.153 0.000 1.058 141 F CB 1.081 39.971 39.000 -0.184 0.000 1.236 141 F HN 0.436 nan 8.300 nan 0.000 0.456 142 L N 6.579 127.408 121.223 -0.656 0.000 2.260 142 L HA 0.310 4.648 4.340 -0.005 0.000 0.289 142 L C 1.217 177.682 176.870 -0.675 0.000 1.057 142 L CA 0.192 54.728 54.840 -0.507 0.000 0.811 142 L CB 1.001 42.855 42.059 -0.342 0.000 1.184 142 L HN 0.779 nan 8.230 nan 0.000 0.429 143 T N -0.236 114.061 114.554 -0.429 0.000 3.118 143 T HA 0.074 4.421 4.350 -0.005 0.000 0.260 143 T C 1.056 175.682 174.700 -0.123 0.000 1.139 143 T CA 0.735 62.674 62.100 -0.269 0.000 1.085 143 T CB -0.028 68.789 68.868 -0.085 0.000 0.934 143 T HN 0.483 nan 8.240 nan 0.000 0.518 144 S N 1.667 117.202 115.700 -0.276 0.000 2.623 144 S HA 0.566 5.033 4.470 -0.005 0.000 0.287 144 S C 0.012 174.235 174.600 -0.628 0.000 1.123 144 S CA -0.725 57.206 58.200 -0.449 0.000 1.016 144 S CB 0.640 63.485 63.200 -0.592 0.000 1.233 144 S HN 0.699 nan 8.310 nan 0.000 0.512 145 N N -0.777 117.406 118.700 -0.861 0.000 2.671 145 N HA 0.322 5.060 4.740 -0.005 0.000 0.303 145 N C 0.570 175.881 175.510 -0.332 0.000 1.277 145 N CA -0.687 51.940 53.050 -0.705 0.000 0.933 145 N CB -0.180 37.616 38.487 -1.153 0.000 1.190 145 N HN 0.189 nan 8.380 nan 0.000 0.600 146 V N -0.582 119.191 119.914 -0.234 0.000 2.913 146 V HA -0.007 4.110 4.120 -0.005 0.000 0.260 146 V C 2.130 178.128 176.094 -0.160 0.000 1.098 146 V CA 2.018 64.220 62.300 -0.164 0.000 1.121 146 V CB -1.440 30.310 31.823 -0.121 0.000 0.714 146 V HN 0.875 nan 8.190 nan 0.000 0.487 147 G N -0.453 108.248 108.800 -0.165 0.000 2.404 147 G HA2 -0.287 3.670 3.960 -0.005 0.000 0.215 147 G HA3 -0.287 3.670 3.960 -0.005 0.000 0.215 147 G C 1.505 176.319 174.900 -0.144 0.000 1.174 147 G CA 0.853 45.864 45.100 -0.148 0.000 0.780 147 G HN 0.475 nan 8.290 nan 0.000 0.537 148 F N 1.026 120.794 119.950 -0.302 0.000 2.171 148 F HA 0.005 4.528 4.527 -0.005 0.000 0.300 148 F C 2.263 177.893 175.800 -0.283 0.000 1.090 148 F CA 1.136 58.946 58.000 -0.317 0.000 1.293 148 F CB -0.274 38.489 39.000 -0.395 0.000 1.013 148 F HN 0.111 nan 8.300 nan 0.000 0.486 149 L N -0.078 121.002 121.223 -0.239 0.000 2.046 149 L HA -0.185 4.152 4.340 -0.005 0.000 0.208 149 L C 2.375 179.092 176.870 -0.255 0.000 1.077 149 L CA 2.217 56.931 54.840 -0.209 0.000 0.747 149 L CB -1.263 40.720 42.059 -0.127 0.000 0.896 149 L HN 0.088 nan 8.230 nan 0.000 0.432 150 S N -0.335 115.220 115.700 -0.241 0.000 2.370 150 S HA -0.184 4.283 4.470 -0.005 0.000 0.226 150 S C 1.819 176.258 174.600 -0.269 0.000 1.033 150 S CA 1.590 59.653 58.200 -0.228 0.000 1.011 150 S CB -0.656 62.427 63.200 -0.195 0.000 0.852 150 S HN 0.503 nan 8.310 nan 0.000 0.457 151 L N 1.523 122.544 121.223 -0.336 0.000 2.017 151 L HA -0.011 4.326 4.340 -0.005 0.000 0.208 151 L C 2.107 178.726 176.870 -0.417 0.000 1.073 151 L CA 1.778 56.409 54.840 -0.349 0.000 0.745 151 L CB -0.625 41.199 42.059 -0.393 0.000 0.894 151 L HN 0.191 nan 8.230 nan 0.000 0.432 152 M N -0.885 118.327 119.600 -0.646 0.000 2.117 152 M HA -0.168 4.309 4.480 -0.005 0.000 0.262 152 M C 2.355 178.348 176.300 -0.512 0.000 1.065 152 M CA 1.649 56.526 55.300 -0.705 0.000 1.114 152 M CB -1.145 30.872 32.600 -0.972 0.000 1.361 152 M HN 0.312 nan 8.290 nan 0.000 0.408 153 L N 0.125 121.136 121.223 -0.354 0.000 2.275 153 L HA -0.151 4.186 4.340 -0.005 0.000 0.215 153 L C 2.512 179.269 176.870 -0.189 0.000 1.119 153 L CA 1.147 55.848 54.840 -0.231 0.000 0.790 153 L CB -0.666 41.312 42.059 -0.136 0.000 0.919 153 L HN 0.400 nan 8.230 nan 0.000 0.443 154 S N -0.489 115.101 115.700 -0.185 0.000 2.489 154 S HA -0.017 4.450 4.470 -0.005 0.000 0.228 154 S C 1.785 176.352 174.600 -0.056 0.000 0.995 154 S CA 0.239 58.373 58.200 -0.112 0.000 0.934 154 S CB -0.354 62.792 63.200 -0.091 0.000 0.771 154 S HN 0.405 nan 8.310 nan 0.000 0.522 155 L N 0.994 122.158 121.223 -0.098 0.000 2.362 155 L HA 0.035 4.372 4.340 -0.005 0.000 0.219 155 L C 2.695 179.515 176.870 -0.083 0.000 1.134 155 L CA 1.105 55.919 54.840 -0.043 0.000 0.807 155 L CB -0.514 41.447 42.059 -0.162 0.000 0.927 155 L HN 0.398 nan 8.230 nan 0.000 0.447 156 K N 0.634 120.951 120.400 -0.139 0.000 2.148 156 K HA -0.134 4.183 4.320 -0.005 0.000 0.204 156 K C 1.498 178.106 176.600 0.012 0.000 1.050 156 K CA 0.999 57.226 56.287 -0.100 0.000 0.942 156 K CB 0.105 32.548 32.500 -0.094 0.000 0.724 156 K HN 0.349 nan 8.250 nan 0.000 0.446 157 N N 1.466 120.180 118.700 0.023 0.000 2.571 157 N HA -0.065 4.672 4.740 -0.005 0.000 0.189 157 N C 0.080 175.622 175.510 0.052 0.000 1.154 157 N CA 0.579 53.652 53.050 0.038 0.000 0.907 157 N CB 0.144 38.650 38.487 0.031 0.000 0.977 157 N HN 0.387 nan 8.380 nan 0.000 0.449 158 R N -0.496 120.068 120.500 0.106 0.000 2.939 158 R HA 0.514 4.851 4.340 -0.005 0.000 0.254 158 R C -0.754 175.675 176.300 0.216 0.000 1.123 158 R CA -0.783 55.387 56.100 0.116 0.000 1.020 158 R CB 0.843 31.184 30.300 0.069 0.000 1.206 158 R HN -0.264 nan 8.270 nan 0.000 0.491 159 Q N 0.375 120.225 119.800 0.084 0.000 2.221 159 Q HA 0.294 4.631 4.340 -0.005 0.000 0.242 159 Q C 0.746 176.601 176.000 -0.241 0.000 0.940 159 Q CA -0.291 55.491 55.803 -0.035 0.000 0.896 159 Q CB 1.550 30.253 28.738 -0.059 0.000 1.226 159 Q HN 0.686 nan 8.270 nan 0.000 0.463 160 I N 1.163 121.328 120.570 -0.676 0.000 2.756 160 I HA -0.187 3.980 4.170 -0.005 0.000 0.262 160 I C 1.122 177.181 176.117 -0.097 0.000 1.225 160 I CA 1.032 61.827 61.300 -0.841 0.000 1.472 160 I CB 0.242 37.727 38.000 -0.859 0.000 1.094 160 I HN 0.715 nan 8.210 nan 0.000 0.454 161 E N 1.346 121.483 120.200 -0.105 0.000 2.442 161 E HA -0.138 4.209 4.350 -0.005 0.000 0.195 161 E C 0.327 176.849 176.600 -0.129 0.000 1.030 161 E CA 0.077 56.435 56.400 -0.070 0.000 0.869 161 E CB -0.377 29.279 29.700 -0.073 0.000 0.857 161 E HN 0.699 nan 8.360 nan 0.000 0.505 162 E N 2.173 122.271 120.200 -0.170 0.000 1.932 162 E HA 0.307 4.655 4.350 -0.005 0.000 0.259 162 E C -0.064 176.112 176.600 -0.706 0.000 1.099 162 E CA -0.450 55.764 56.400 -0.309 0.000 0.970 162 E CB 0.950 30.512 29.700 -0.231 0.000 1.143 162 E HN -0.066 nan 8.360 nan 0.000 0.441 163 V N 3.951 123.406 119.914 -0.765 0.000 2.843 163 V HA 0.073 4.190 4.120 -0.005 0.000 0.305 163 V C -0.238 175.516 176.094 -0.566 0.000 1.065 163 V CA -0.190 61.493 62.300 -1.028 0.000 1.116 163 V CB -0.091 31.474 31.823 -0.429 0.000 0.968 163 V HN 0.528 nan 8.190 nan 0.000 0.487 164 F N 3.781 123.430 119.950 -0.502 0.000 2.563 164 F HA 0.150 4.674 4.527 -0.005 0.000 0.363 164 F C 0.880 176.705 175.800 0.042 0.000 1.123 164 F CA 0.291 58.140 58.000 -0.251 0.000 1.307 164 F CB 0.074 38.774 39.000 -0.501 0.000 1.115 164 F HN 0.595 nan 8.300 nan 0.000 0.592 165 D N 2.256 122.801 120.400 0.242 0.000 2.382 165 D HA -0.059 4.578 4.640 -0.005 0.000 0.259 165 D C 0.418 176.911 176.300 0.322 0.000 1.224 165 D CA 0.231 54.358 54.000 0.212 0.000 0.894 165 D CB 0.484 41.345 40.800 0.101 0.000 1.127 165 D HN 0.526 nan 8.370 nan 0.000 0.487 166 D N 1.935 122.447 120.400 0.185 0.000 2.328 166 D HA -0.020 4.617 4.640 -0.005 0.000 0.226 166 D C 1.318 177.560 176.300 -0.097 0.000 1.066 166 D CA 0.166 54.130 54.000 -0.058 0.000 0.861 166 D CB 0.398 41.185 40.800 -0.021 0.000 0.912 166 D HN 0.224 nan 8.370 nan 0.000 0.521 167 S N -0.297 115.389 115.700 -0.024 0.000 2.326 167 S HA -0.142 4.325 4.470 -0.005 0.000 0.177 167 S C 0.618 175.192 174.600 -0.044 0.000 1.249 167 S CA 0.592 58.773 58.200 -0.030 0.000 1.797 167 S CB -0.294 62.902 63.200 -0.007 0.000 0.744 167 S HN 0.210 nan 8.310 nan 0.000 0.375 168 D N 0.325 120.715 120.400 -0.016 0.000 2.767 168 D HA 0.208 4.845 4.640 -0.005 0.000 0.241 168 D C 1.243 177.540 176.300 -0.006 0.000 1.187 168 D CA -0.318 53.677 54.000 -0.007 0.000 0.999 168 D CB 0.022 40.834 40.800 0.019 0.000 1.042 168 D HN 0.469 nan 8.370 nan 0.000 0.510 169 R N 0.343 120.815 120.500 -0.046 0.000 2.299 169 R HA 0.053 4.390 4.340 -0.005 0.000 0.197 169 R C 0.297 176.583 176.300 -0.024 0.000 0.971 169 R CA 0.184 56.263 56.100 -0.036 0.000 1.030 169 R CB 0.147 30.354 30.300 -0.156 0.000 0.932 169 R HN 0.136 nan 8.270 nan 0.000 0.477 170 D N 0.558 120.952 120.400 -0.010 0.000 2.312 170 D HA -0.125 4.512 4.640 -0.005 0.000 0.211 170 D C -0.192 176.169 176.300 0.102 0.000 0.964 170 D CA 1.216 55.228 54.000 0.019 0.000 0.877 170 D CB 0.091 40.897 40.800 0.009 0.000 0.924 170 D HN 0.366 nan 8.370 nan 0.000 0.515 171 H N -0.033 119.025 119.070 -0.020 0.000 2.734 171 H HA 0.287 4.840 4.556 -0.006 0.000 0.247 171 H C -1.641 173.686 175.328 -0.001 0.000 1.415 171 H CA -0.550 55.491 56.048 -0.011 0.000 1.514 171 H CB -0.059 29.697 29.762 -0.010 0.000 1.841 171 H HN -0.261 nan 8.280 nan 0.000 0.609 172 Q N 4.642 124.323 119.800 -0.199 0.000 2.961 172 Q HA 0.296 4.633 4.340 -0.005 0.000 0.223 172 Q C -1.791 174.135 176.000 -0.123 0.000 0.859 172 Q CA -0.386 55.300 55.803 -0.195 0.000 0.771 172 Q CB 0.369 29.075 28.738 -0.055 0.000 1.389 172 Q HN 0.606 nan 8.270 nan 0.000 0.460 173 L N 4.153 125.284 121.223 -0.153 0.000 2.367 173 L HA 0.480 4.817 4.340 -0.005 0.000 0.275 173 L C -0.246 176.588 176.870 -0.060 0.000 1.129 173 L CA -0.383 54.403 54.840 -0.090 0.000 0.839 173 L CB 0.494 42.516 42.059 -0.063 0.000 1.133 173 L HN 0.524 nan 8.230 nan 0.000 0.453 174 L N 3.622 124.815 121.223 -0.051 0.000 2.346 174 L HA 0.449 4.787 4.340 -0.005 0.000 0.274 174 L C -0.282 176.568 176.870 -0.033 0.000 1.007 174 L CA -0.677 54.150 54.840 -0.021 0.000 0.818 174 L CB 1.748 43.817 42.059 0.017 0.000 1.284 174 L HN 0.542 nan 8.230 nan 0.000 0.424 175 N N 4.162 122.848 118.700 -0.023 0.000 2.527 175 N HA 0.436 5.173 4.740 -0.005 0.000 0.236 175 N C -0.828 174.650 175.510 -0.052 0.000 0.999 175 N CA -0.114 52.917 53.050 -0.032 0.000 0.935 175 N CB 1.459 39.935 38.487 -0.019 0.000 1.132 175 N HN 0.439 nan 8.380 nan 0.000 0.511 176 I N 3.033 123.558 120.570 -0.075 0.000 2.328 176 I HA 0.286 4.453 4.170 -0.005 0.000 0.287 176 I C -2.152 173.875 176.117 -0.151 0.000 1.012 176 I CA -2.116 59.116 61.300 -0.113 0.000 1.195 176 I CB 1.566 39.497 38.000 -0.114 0.000 1.350 176 I HN 0.029 nan 8.210 nan 0.000 0.464 177 P HA 0.102 nan 4.420 nan 0.000 0.263 177 P C 0.840 178.015 177.300 -0.208 0.000 1.195 177 P CA 0.701 63.636 63.100 -0.274 0.000 0.762 177 P CB 0.735 32.048 31.700 -0.647 0.000 0.799 178 G N 3.150 111.865 108.800 -0.142 0.000 2.481 178 G HA2 -0.164 3.793 3.960 -0.005 0.000 0.200 178 G HA3 -0.164 3.793 3.960 -0.005 0.000 0.200 178 G C -0.033 174.805 174.900 -0.104 0.000 1.012 178 G CA -0.491 44.532 45.100 -0.128 0.000 0.676 178 G HN 0.468 nan 8.290 nan 0.000 0.488 179 I N 3.011 123.519 120.570 -0.103 0.000 2.330 179 I HA 0.317 4.484 4.170 -0.005 0.000 0.289 179 I C 1.873 177.953 176.117 -0.060 0.000 1.001 179 I CA 0.086 61.334 61.300 -0.087 0.000 1.193 179 I CB 1.771 39.721 38.000 -0.083 0.000 1.345 179 I HN 0.286 nan 8.210 nan 0.000 0.461 180 S N 4.403 120.069 115.700 -0.057 0.000 2.368 180 S HA -0.108 4.359 4.470 -0.005 0.000 0.225 180 S C 0.811 175.401 174.600 -0.016 0.000 1.030 180 S CA 0.742 58.920 58.200 -0.036 0.000 0.999 180 S CB -0.417 62.758 63.200 -0.040 0.000 0.844 180 S HN 0.680 nan 8.310 nan 0.000 0.459 181 N N 2.007 120.707 118.700 -0.000 0.000 2.503 181 N HA 0.277 5.014 4.740 -0.005 0.000 0.267 181 N C -0.602 174.951 175.510 0.072 0.000 1.214 181 N CA -0.188 52.898 53.050 0.060 0.000 0.959 181 N CB 0.295 38.862 38.487 0.133 0.000 1.142 181 N HN 0.434 nan 8.380 nan 0.000 0.455 182 Q N 0.316 120.155 119.800 0.065 0.000 2.313 182 Q HA 0.168 4.505 4.340 -0.005 0.000 0.266 182 Q C -0.613 175.376 176.000 -0.019 0.000 0.989 182 Q CA -0.148 55.664 55.803 0.015 0.000 0.890 182 Q CB 1.170 29.916 28.738 0.012 0.000 1.200 182 Q HN 0.351 nan 8.270 nan 0.000 0.396 183 V N 5.778 125.620 119.914 -0.120 0.000 2.406 183 V HA 0.286 4.403 4.120 -0.005 0.000 0.272 183 V C -2.352 173.540 176.094 -0.336 0.000 1.043 183 V CA -2.256 59.841 62.300 -0.338 0.000 0.915 183 V CB 1.184 32.840 31.823 -0.278 0.000 0.988 183 V HN 0.628 nan 8.190 nan 0.000 0.466 184 P HA 0.095 nan 4.420 nan 0.000 0.268 184 P C 0.655 177.840 177.300 -0.191 0.000 1.205 184 P CA 0.320 63.257 63.100 -0.272 0.000 0.771 184 P CB 0.937 32.463 31.700 -0.290 0.000 0.858 185 S N 2.894 118.556 115.700 -0.064 0.000 2.423 185 S HA -0.142 4.325 4.470 -0.005 0.000 0.231 185 S C 1.365 176.034 174.600 0.114 0.000 1.014 185 S CA 1.505 59.741 58.200 0.060 0.000 0.965 185 S CB -0.961 62.320 63.200 0.136 0.000 0.785 185 S HN 0.577 nan 8.310 nan 0.000 0.495 186 N N 1.385 120.087 118.700 0.004 0.000 2.515 186 N HA -0.036 4.701 4.740 -0.005 0.000 0.191 186 N C 0.883 176.396 175.510 0.006 0.000 1.182 186 N CA 0.925 53.966 53.050 -0.014 0.000 0.879 186 N CB -0.202 38.260 38.487 -0.042 0.000 0.984 186 N HN 0.457 nan 8.380 nan 0.000 0.453 187 V N -3.777 116.120 119.914 -0.028 0.000 3.380 187 V HA 0.399 4.516 4.120 -0.005 0.000 0.307 187 V C 0.464 176.562 176.094 0.007 0.000 1.434 187 V CA -0.603 61.682 62.300 -0.026 0.000 1.075 187 V CB -0.515 31.219 31.823 -0.148 0.000 0.954 187 V HN 0.032 nan 8.190 nan 0.000 0.444 188 L N 1.631 122.885 121.223 0.052 0.000 2.452 188 L HA 0.416 4.753 4.340 -0.005 0.000 0.267 188 L C -2.044 174.888 176.870 0.105 0.000 1.188 188 L CA -1.554 53.274 54.840 -0.020 0.000 0.821 188 L CB 0.567 42.468 42.059 -0.263 0.000 1.102 188 L HN 0.089 nan 8.230 nan 0.000 0.470 189 P HA 0.004 nan 4.420 nan 0.000 0.269 189 P C -0.123 177.263 177.300 0.143 0.000 1.209 189 P CA -0.192 63.002 63.100 0.157 0.000 0.776 189 P CB 0.538 32.416 31.700 0.297 0.000 0.876 190 D N 2.125 122.641 120.400 0.192 0.000 2.149 190 D HA -0.220 4.417 4.640 -0.005 0.000 0.194 190 D C 1.946 178.321 176.300 0.124 0.000 1.001 190 D CA 2.060 56.193 54.000 0.221 0.000 0.849 190 D CB -0.643 40.265 40.800 0.180 0.000 0.939 190 D HN 0.375 nan 8.370 nan 0.000 0.449 191 A N 0.450 123.237 122.820 -0.056 0.000 1.958 191 A HA -0.257 4.060 4.320 -0.005 0.000 0.221 191 A C 2.544 180.032 177.584 -0.159 0.000 1.178 191 A CA 1.645 53.532 52.037 -0.250 0.000 0.642 191 A CB -1.014 17.431 19.000 -0.924 0.000 0.816 191 A HN 0.403 nan 8.150 nan 0.000 0.453 192 C N -2.127 117.045 119.300 -0.212 0.000 2.419 192 C HA -0.027 4.430 4.460 -0.005 0.000 0.281 192 C C 1.975 176.840 174.990 -0.210 0.000 1.336 192 C CA 0.685 59.582 59.018 -0.202 0.000 1.770 192 C CB -1.639 25.590 27.740 -0.852 0.000 1.929 192 C HN 0.631 nan 8.230 nan 0.000 0.509 193 F N -0.050 119.960 119.950 0.100 0.000 2.721 193 F HA 0.204 4.728 4.527 -0.005 0.000 0.301 193 F C 0.842 176.676 175.800 0.057 0.000 1.096 193 F CA -0.251 57.795 58.000 0.078 0.000 1.308 193 F CB -0.634 38.390 39.000 0.039 0.000 1.086 193 F HN 0.070 nan 8.300 nan 0.000 0.587 194 N N 1.486 120.309 118.700 0.205 0.000 2.416 194 N HA 0.035 4.772 4.740 -0.005 0.000 0.265 194 N C 0.640 176.224 175.510 0.122 0.000 1.195 194 N CA 0.094 53.231 53.050 0.145 0.000 0.943 194 N CB 0.374 38.930 38.487 0.116 0.000 1.115 194 N HN 0.101 nan 8.380 nan 0.000 0.481 195 K N 1.610 122.056 120.400 0.077 0.000 2.404 195 K HA 0.061 4.378 4.320 -0.005 0.000 0.194 195 K C -0.520 176.083 176.600 0.005 0.000 1.023 195 K CA 0.305 56.616 56.287 0.040 0.000 1.094 195 K CB 0.502 33.011 32.500 0.016 0.000 0.841 195 K HN 0.561 nan 8.250 nan 0.000 0.523 196 D N 0.525 120.925 120.400 0.001 0.000 2.738 196 D HA 0.132 4.769 4.640 -0.005 0.000 0.246 196 D C 0.965 177.184 176.300 -0.135 0.000 1.270 196 D CA 0.116 54.082 54.000 -0.057 0.000 0.833 196 D CB 1.069 41.856 40.800 -0.023 0.000 1.040 196 D HN 0.361 nan 8.370 nan 0.000 0.487 197 G N 0.332 109.045 108.800 -0.146 0.000 2.307 197 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.210 197 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.210 197 G C 1.301 176.290 174.900 0.149 0.000 1.005 197 G CA 0.084 45.024 45.100 -0.265 0.000 0.634 197 G HN 0.448 nan 8.290 nan 0.000 0.496 198 G N 0.323 109.214 108.800 0.151 0.000 2.514 198 G HA2 -0.147 3.811 3.960 -0.005 0.000 0.217 198 G HA3 -0.147 3.811 3.960 -0.005 0.000 0.217 198 G C 1.464 176.455 174.900 0.150 0.000 1.198 198 G CA 1.954 47.145 45.100 0.152 0.000 0.780 198 G HN 0.800 nan 8.290 nan 0.000 0.565 199 Y N 1.358 121.697 120.300 0.065 0.000 2.181 199 Y HA -0.084 4.464 4.550 -0.003 0.000 0.288 199 Y C 2.665 178.703 175.900 0.230 0.000 1.146 199 Y CA 1.414 59.592 58.100 0.130 0.000 1.164 199 Y CB -0.241 38.285 38.460 0.110 0.000 0.982 199 Y HN 0.203 nan 8.280 nan 0.000 0.515 200 I N -0.005 120.681 120.570 0.194 0.000 2.208 200 I HA -0.395 3.773 4.170 -0.005 0.000 0.245 200 I C 2.671 178.940 176.117 0.254 0.000 1.097 200 I CA 1.351 62.752 61.300 0.168 0.000 1.363 200 I CB -0.800 37.316 38.000 0.193 0.000 1.051 200 I HN 0.360 nan 8.210 nan 0.000 0.413 201 A N 0.187 123.230 122.820 0.371 0.000 1.858 201 A HA -0.244 4.073 4.320 -0.005 0.000 0.216 201 A C 2.241 180.020 177.584 0.326 0.000 1.190 201 A CA 1.523 53.781 52.037 0.368 0.000 0.617 201 A CB -1.031 18.240 19.000 0.452 0.000 0.827 201 A HN 0.344 nan 8.150 nan 0.000 0.443 202 Y N -1.533 118.852 120.300 0.142 0.000 2.128 202 Y HA -0.255 4.292 4.550 -0.005 0.000 0.284 202 Y C 2.330 178.173 175.900 -0.095 0.000 1.154 202 Y CA 1.103 59.255 58.100 0.086 0.000 1.149 202 Y CB -1.295 37.215 38.460 0.083 0.000 0.976 202 Y HN 0.514 nan 8.280 nan 0.000 0.505 203 Y N 0.704 120.920 120.300 -0.140 0.000 2.097 203 Y HA -0.292 4.255 4.550 -0.004 0.000 0.282 203 Y C 2.428 178.240 175.900 -0.148 0.000 1.152 203 Y CA 2.231 60.174 58.100 -0.261 0.000 1.136 203 Y CB -0.289 37.920 38.460 -0.417 0.000 0.975 203 Y HN -0.002 nan 8.280 nan 0.000 0.498 204 K N -0.256 120.217 120.400 0.121 0.000 2.097 204 K HA -0.174 4.143 4.320 -0.005 0.000 0.206 204 K C 1.971 178.534 176.600 -0.062 0.000 1.049 204 K CA 1.650 57.977 56.287 0.067 0.000 0.933 204 K CB -0.247 32.323 32.500 0.117 0.000 0.717 204 K HN 0.370 nan 8.250 nan 0.000 0.442 205 L N 0.006 121.161 121.223 -0.114 0.000 2.049 205 L HA -0.085 4.252 4.340 -0.005 0.000 0.203 205 L C 2.570 179.276 176.870 -0.273 0.000 1.074 205 L CA 0.946 55.675 54.840 -0.185 0.000 0.749 205 L CB -0.574 41.230 42.059 -0.425 0.000 0.907 205 L HN 0.142 nan 8.230 nan 0.000 0.439 206 A N -0.020 122.469 122.820 -0.551 0.000 1.986 206 A HA -0.293 4.024 4.320 -0.005 0.000 0.220 206 A C 2.220 179.437 177.584 -0.611 0.000 1.171 206 A CA 2.028 53.433 52.037 -1.053 0.000 0.640 206 A CB -0.625 17.856 19.000 -0.864 0.000 0.811 206 A HN 0.508 nan 8.150 nan 0.000 0.451 207 E N -0.722 119.222 120.200 -0.427 0.000 2.160 207 E HA -0.221 4.126 4.350 -0.005 0.000 0.195 207 E C 1.665 178.206 176.600 -0.099 0.000 0.991 207 E CA 0.996 57.229 56.400 -0.279 0.000 0.810 207 E CB 0.041 29.601 29.700 -0.234 0.000 0.742 207 E HN 0.367 nan 8.360 nan 0.000 0.466 208 R N -0.511 119.979 120.500 -0.017 0.000 2.280 208 R HA 0.021 4.358 4.340 -0.005 0.000 0.195 208 R C 1.719 178.144 176.300 0.208 0.000 0.935 208 R CA 0.123 56.274 56.100 0.085 0.000 1.033 208 R CB -0.461 29.889 30.300 0.083 0.000 0.964 208 R HN 0.221 nan 8.270 nan 0.000 0.489 209 F N 1.754 121.669 119.950 -0.059 0.000 2.091 209 F HA -0.174 4.350 4.527 -0.004 0.000 0.299 209 F C 2.033 177.812 175.800 -0.035 0.000 1.103 209 F CA 1.335 59.310 58.000 -0.042 0.000 1.228 209 F CB -0.445 38.516 39.000 -0.065 0.000 0.984 209 F HN -0.033 nan 8.300 nan 0.000 0.477 210 R N -0.050 120.547 120.500 0.161 0.000 2.316 210 R HA -0.075 4.262 4.340 -0.005 0.000 0.202 210 R C 0.832 177.157 176.300 0.042 0.000 1.029 210 R CA 0.789 56.935 56.100 0.077 0.000 1.018 210 R CB -0.296 30.032 30.300 0.047 0.000 0.888 210 R HN 0.242 nan 8.270 nan 0.000 0.471 211 D N 0.318 120.744 120.400 0.042 0.000 2.339 211 D HA -0.034 4.603 4.640 -0.005 0.000 0.217 211 D C 0.671 176.963 176.300 -0.014 0.000 1.050 211 D CA 0.578 54.586 54.000 0.015 0.000 0.856 211 D CB 0.319 41.131 40.800 0.020 0.000 0.922 211 D HN 0.217 nan 8.370 nan 0.000 0.518 212 T N -2.048 112.493 114.554 -0.021 0.000 2.913 212 T HA 0.198 4.545 4.350 -0.005 0.000 0.287 212 T C 1.010 175.633 174.700 -0.128 0.000 1.008 212 T CA -0.700 61.351 62.100 -0.083 0.000 1.067 212 T CB 2.536 71.361 68.868 -0.072 0.000 0.996 212 T HN -0.195 nan 8.240 nan 0.000 0.513 213 K N 0.611 120.830 120.400 -0.301 0.000 2.366 213 K HA 0.236 4.554 4.320 -0.005 0.000 0.198 213 K C 0.706 177.197 176.600 -0.182 0.000 1.044 213 K CA 0.342 56.426 56.287 -0.339 0.000 0.973 213 K CB -0.329 31.783 32.500 -0.646 0.000 0.767 213 K HN 0.928 nan 8.250 nan 0.000 0.475 214 G N 0.387 109.136 108.800 -0.085 0.000 2.556 214 G HA2 0.370 4.327 3.960 -0.005 0.000 0.294 214 G HA3 0.370 4.327 3.960 -0.005 0.000 0.294 214 G C -1.682 173.397 174.900 0.298 0.000 1.516 214 G CA -0.856 44.431 45.100 0.311 0.000 0.824 214 G HN 0.063 nan 8.290 nan 0.000 0.535 215 I N 1.544 122.279 120.570 0.276 0.000 2.382 215 I HA 0.384 4.552 4.170 -0.005 0.000 0.285 215 I C -0.368 175.864 176.117 0.193 0.000 1.007 215 I CA -0.623 60.748 61.300 0.118 0.000 1.142 215 I CB 1.628 39.607 38.000 -0.035 0.000 1.289 215 I HN 0.219 nan 8.210 nan 0.000 0.453 216 I N 7.009 127.653 120.570 0.123 0.000 2.336 216 I HA 0.391 4.558 4.170 -0.005 0.000 0.292 216 I C -0.336 175.698 176.117 -0.139 0.000 0.991 216 I CA -0.742 60.601 61.300 0.071 0.000 1.227 216 I CB 1.533 39.541 38.000 0.013 0.000 1.366 216 I HN 0.190 nan 8.210 nan 0.000 0.466 217 V N 5.102 124.952 119.914 -0.105 0.000 2.555 217 V HA 0.228 4.345 4.120 -0.005 0.000 0.302 217 V C 0.211 176.243 176.094 -0.103 0.000 1.038 217 V CA -0.858 61.331 62.300 -0.184 0.000 0.887 217 V CB 1.832 33.586 31.823 -0.115 0.000 0.991 217 V HN 0.755 nan 8.190 nan 0.000 0.434 218 N N 2.454 121.076 118.700 -0.130 0.000 2.895 218 N HA 0.260 4.997 4.740 -0.005 0.000 0.277 218 N C -0.333 175.356 175.510 0.299 0.000 1.185 218 N CA 0.113 53.214 53.050 0.085 0.000 1.106 218 N CB 0.180 38.723 38.487 0.094 0.000 1.422 218 N HN 0.835 nan 8.380 nan 0.000 0.521 219 T N 1.084 115.787 114.554 0.248 0.000 2.739 219 T HA 0.503 4.850 4.350 -0.005 0.000 0.303 219 T C -1.808 173.074 174.700 0.303 0.000 1.389 219 T CA -0.601 61.676 62.100 0.294 0.000 1.001 219 T CB 0.595 69.537 68.868 0.124 0.000 1.436 219 T HN 0.234 nan 8.240 nan 0.000 0.500 220 F N -0.083 119.920 119.950 0.088 0.000 2.577 220 F HA 0.791 5.315 4.527 -0.005 0.000 0.318 220 F C 1.457 177.286 175.800 0.048 0.000 1.065 220 F CA -0.864 57.173 58.000 0.061 0.000 0.929 220 F CB 0.983 40.012 39.000 0.049 0.000 1.237 220 F HN 0.478 nan 8.300 nan 0.000 0.468 221 S N 0.219 116.026 115.700 0.179 0.000 2.372 221 S HA -0.238 4.229 4.470 -0.005 0.000 0.227 221 S C 1.376 176.000 174.600 0.041 0.000 1.044 221 S CA 2.351 60.604 58.200 0.088 0.000 1.050 221 S CB -0.589 62.679 63.200 0.114 0.000 0.901 221 S HN 0.813 nan 8.310 nan 0.000 0.447 222 D N 0.378 120.862 120.400 0.139 0.000 2.309 222 D HA -0.021 4.616 4.640 -0.005 0.000 0.212 222 D C 1.565 177.808 176.300 -0.095 0.000 0.968 222 D CA 0.466 54.524 54.000 0.097 0.000 0.882 222 D CB -0.166 40.778 40.800 0.240 0.000 0.918 222 D HN 0.373 nan 8.370 nan 0.000 0.503 223 L N 0.186 121.144 121.223 -0.442 0.000 2.269 223 L HA 0.140 4.477 4.340 -0.005 0.000 0.200 223 L C 0.855 177.622 176.870 -0.172 0.000 1.069 223 L CA 1.291 55.776 54.840 -0.592 0.000 0.804 223 L CB 0.305 41.571 42.059 -1.323 0.000 0.987 223 L HN -0.188 nan 8.230 nan 0.000 0.468 224 E N -1.590 118.526 120.200 -0.141 0.000 2.812 224 E HA 0.026 4.373 4.350 -0.005 0.000 0.211 224 E C 0.920 177.518 176.600 -0.003 0.000 0.986 224 E CA -0.118 56.285 56.400 0.006 0.000 1.119 224 E CB 0.715 30.420 29.700 0.008 0.000 1.046 224 E HN 0.253 nan 8.360 nan 0.000 0.474 225 Q N 1.426 121.228 119.800 0.002 0.000 2.096 225 Q HA -0.177 4.160 4.340 -0.005 0.000 0.204 225 Q C 2.148 178.161 176.000 0.022 0.000 0.982 225 Q CA 2.440 58.256 55.803 0.020 0.000 0.850 225 Q CB -0.174 28.586 28.738 0.038 0.000 0.901 225 Q HN 0.286 nan 8.270 nan 0.000 0.422 226 S N -1.379 114.338 115.700 0.028 0.000 2.399 226 S HA -0.124 4.343 4.470 -0.005 0.000 0.231 226 S C 2.075 176.676 174.600 0.001 0.000 1.022 226 S CA 1.321 59.536 58.200 0.024 0.000 0.983 226 S CB -0.459 62.759 63.200 0.030 0.000 0.803 226 S HN 0.317 nan 8.310 nan 0.000 0.480 227 S N 1.834 117.527 115.700 -0.011 0.000 2.371 227 S HA 0.180 4.647 4.470 -0.005 0.000 0.224 227 S C 1.780 176.321 174.600 -0.097 0.000 1.029 227 S CA 1.164 59.334 58.200 -0.050 0.000 0.978 227 S CB -0.475 62.696 63.200 -0.048 0.000 0.833 227 S HN 0.523 nan 8.310 nan 0.000 0.466 228 I N 1.940 122.450 120.570 -0.101 0.000 2.226 228 I HA -0.205 3.962 4.170 -0.005 0.000 0.245 228 I C 1.935 177.938 176.117 -0.189 0.000 1.100 228 I CA 1.161 62.341 61.300 -0.200 0.000 1.374 228 I CB -0.426 37.505 38.000 -0.114 0.000 1.057 228 I HN 0.183 nan 8.210 nan 0.000 0.413 229 D N 1.124 121.522 120.400 -0.004 0.000 2.144 229 D HA -0.143 4.494 4.640 -0.005 0.000 0.199 229 D C 2.258 178.595 176.300 0.063 0.000 0.984 229 D CA 1.531 55.594 54.000 0.105 0.000 0.834 229 D CB -0.187 40.666 40.800 0.088 0.000 0.955 229 D HN 0.351 nan 8.370 nan 0.000 0.465 230 A N 0.819 123.640 122.820 0.001 0.000 1.902 230 A HA -0.122 4.195 4.320 -0.005 0.000 0.217 230 A C 2.407 179.989 177.584 -0.004 0.000 1.181 230 A CA 0.851 52.890 52.037 0.004 0.000 0.623 230 A CB -0.747 18.239 19.000 -0.024 0.000 0.818 230 A HN 0.190 nan 8.150 nan 0.000 0.443 231 L N -1.955 119.205 121.223 -0.104 0.000 2.017 231 L HA -0.221 4.116 4.340 -0.005 0.000 0.208 231 L C 2.633 179.481 176.870 -0.037 0.000 1.073 231 L CA 1.501 56.257 54.840 -0.139 0.000 0.745 231 L CB -0.725 41.153 42.059 -0.302 0.000 0.894 231 L HN 0.443 nan 8.230 nan 0.000 0.432 232 Y N 0.305 120.615 120.300 0.018 0.000 2.145 232 Y HA -0.252 4.295 4.550 -0.005 0.000 0.286 232 Y C 2.390 178.306 175.900 0.027 0.000 1.145 232 Y CA 1.028 59.136 58.100 0.014 0.000 1.148 232 Y CB -0.815 37.642 38.460 -0.006 0.000 0.981 232 Y HN 0.229 nan 8.280 nan 0.000 0.507 233 D N -1.739 118.779 120.400 0.196 0.000 2.351 233 D HA -0.166 4.471 4.640 -0.005 0.000 0.216 233 D C 1.968 178.331 176.300 0.104 0.000 0.968 233 D CA 1.181 55.252 54.000 0.119 0.000 0.899 233 D CB -0.228 40.628 40.800 0.093 0.000 0.907 233 D HN 0.481 nan 8.370 nan 0.000 0.514 234 H N -0.446 118.643 119.070 0.032 0.000 2.439 234 H HA 0.068 4.622 4.556 -0.005 0.000 0.299 234 H C -0.348 174.989 175.328 0.015 0.000 1.033 234 H CA 0.719 56.773 56.048 0.011 0.000 1.348 234 H CB 0.968 30.722 29.762 -0.012 0.000 1.449 234 H HN -0.035 nan 8.280 nan 0.000 0.544 235 D N 0.144 120.632 120.400 0.146 0.000 2.375 235 D HA 0.113 4.750 4.640 -0.005 0.000 0.241 235 D C -0.170 176.198 176.300 0.113 0.000 1.361 235 D CA -0.259 53.797 54.000 0.094 0.000 0.995 235 D CB 1.157 42.039 40.800 0.136 0.000 1.312 235 D HN -0.019 nan 8.370 nan 0.000 0.576 236 E N 1.672 121.923 120.200 0.084 0.000 2.472 236 E HA -0.086 4.261 4.350 -0.005 0.000 0.200 236 E C 1.455 178.103 176.600 0.079 0.000 1.046 236 E CA 0.491 56.946 56.400 0.092 0.000 0.871 236 E CB 0.065 29.786 29.700 0.035 0.000 0.806 236 E HN 0.431 nan 8.360 nan 0.000 0.533 237 K N 0.740 121.179 120.400 0.065 0.000 2.439 237 K HA -0.011 4.306 4.320 -0.005 0.000 0.197 237 K C 0.085 176.725 176.600 0.067 0.000 1.041 237 K CA 0.126 56.444 56.287 0.050 0.000 0.970 237 K CB 0.061 32.582 32.500 0.035 0.000 0.773 237 K HN 0.134 nan 8.250 nan 0.000 0.479 238 I N 4.201 124.831 120.570 0.099 0.000 2.556 238 I HA 0.058 4.225 4.170 -0.005 0.000 0.284 238 I C -1.708 174.491 176.117 0.136 0.000 1.114 238 I CA -2.032 59.330 61.300 0.104 0.000 1.418 238 I CB 0.639 38.690 38.000 0.083 0.000 1.394 238 I HN 0.123 nan 8.210 nan 0.000 0.552 239 P HA 0.159 nan 4.420 nan 0.000 0.272 239 P C -2.618 174.770 177.300 0.147 0.000 1.254 239 P CA -1.230 61.928 63.100 0.097 0.000 0.795 239 P CB -0.624 31.115 31.700 0.064 0.000 1.022 240 P HA 0.195 nan 4.420 nan 0.000 0.268 240 P C -0.329 176.941 177.300 -0.050 0.000 1.204 240 P CA 0.631 63.734 63.100 0.006 0.000 0.768 240 P CB 0.154 31.784 31.700 -0.117 0.000 0.842 241 I N 3.922 124.463 120.570 -0.048 0.000 2.354 241 I HA 0.285 4.452 4.170 -0.005 0.000 0.292 241 I C -0.415 175.586 176.117 -0.194 0.000 0.989 241 I CA -0.670 60.590 61.300 -0.066 0.000 1.188 241 I CB 0.806 38.756 38.000 -0.084 0.000 1.342 241 I HN 0.310 nan 8.210 nan 0.000 0.457 242 Y N 4.853 125.201 120.300 0.080 0.000 2.328 242 Y HA 0.594 5.141 4.550 -0.005 0.000 0.336 242 Y C 0.354 176.285 175.900 0.051 0.000 0.960 242 Y CA -0.913 57.236 58.100 0.081 0.000 1.134 242 Y CB 1.704 40.222 38.460 0.097 0.000 1.166 242 Y HN 0.569 nan 8.280 nan 0.000 0.464 243 A N 2.728 125.663 122.820 0.192 0.000 2.260 243 A HA 0.538 4.855 4.320 -0.005 0.000 0.312 243 A C 0.474 178.168 177.584 0.184 0.000 1.321 243 A CA -0.422 51.706 52.037 0.150 0.000 0.928 243 A CB -0.059 19.016 19.000 0.125 0.000 1.158 243 A HN 0.926 nan 8.150 nan 0.000 0.542 244 V N 1.106 121.123 119.914 0.172 0.000 3.253 244 V HA 0.517 4.634 4.120 -0.005 0.000 0.320 244 V C 0.669 176.875 176.094 0.187 0.000 1.442 244 V CA 0.433 62.844 62.300 0.186 0.000 1.097 244 V CB -0.302 31.653 31.823 0.219 0.000 1.008 244 V HN 0.825 nan 8.190 nan 0.000 0.463 245 G N 0.930 109.852 108.800 0.202 0.000 2.568 245 G HA2 0.655 4.612 3.960 -0.005 0.000 0.293 245 G HA3 0.655 4.612 3.960 -0.005 0.000 0.293 245 G C -3.091 171.912 174.900 0.170 0.000 1.347 245 G CA -1.941 43.276 45.100 0.195 0.000 1.039 245 G HN 0.307 nan 8.290 nan 0.000 0.523 246 P HA 0.246 nan 4.420 nan 0.000 0.271 246 P C -0.623 176.657 177.300 -0.034 0.000 1.216 246 P CA -0.000 63.119 63.100 0.033 0.000 0.771 246 P CB 0.770 32.427 31.700 -0.071 0.000 0.864 247 L N 4.688 125.922 121.223 0.018 0.000 2.277 247 L HA 0.445 4.782 4.340 -0.005 0.000 0.284 247 L C -0.188 176.662 176.870 -0.033 0.000 1.028 247 L CA -0.192 54.672 54.840 0.040 0.000 0.835 247 L CB 0.116 42.294 42.059 0.197 0.000 1.215 247 L HN 0.210 nan 8.230 nan 0.000 0.425 248 L N 2.024 123.156 121.223 -0.152 0.000 2.350 248 L HA 0.496 4.833 4.340 -0.005 0.000 0.260 248 L C -0.778 176.016 176.870 -0.127 0.000 1.015 248 L CA -0.818 53.920 54.840 -0.171 0.000 0.821 248 L CB 2.557 44.394 42.059 -0.370 0.000 1.370 248 L HN 0.317 nan 8.230 nan 0.000 0.416 249 D N 1.661 122.040 120.400 -0.036 0.000 2.467 249 D HA 0.275 4.912 4.640 -0.005 0.000 0.220 249 D C 0.567 176.873 176.300 0.011 0.000 1.103 249 D CA -0.159 53.849 54.000 0.013 0.000 0.886 249 D CB 0.906 41.771 40.800 0.108 0.000 1.025 249 D HN 0.423 nan 8.370 nan 0.000 0.514 250 L N 2.555 123.755 121.223 -0.039 0.000 2.552 250 L HA 0.005 4.343 4.340 -0.005 0.000 0.227 250 L C 1.995 178.925 176.870 0.100 0.000 1.146 250 L CA 0.469 55.325 54.840 0.026 0.000 0.858 250 L CB -0.022 42.021 42.059 -0.026 0.000 0.969 250 L HN 0.185 nan 8.230 nan 0.000 0.451 251 K N 0.248 120.697 120.400 0.081 0.000 2.262 251 K HA 0.293 4.610 4.320 -0.005 0.000 0.200 251 K C 0.907 177.584 176.600 0.128 0.000 1.058 251 K CA 0.844 57.188 56.287 0.094 0.000 0.974 251 K CB 0.224 32.764 32.500 0.067 0.000 0.910 251 K HN 0.198 nan 8.250 nan 0.000 0.484 252 G N 2.530 111.421 108.800 0.151 0.000 2.721 252 G HA2 -0.144 3.813 3.960 -0.005 0.000 0.686 252 G HA3 -0.144 3.813 3.960 -0.005 0.000 0.686 252 G C -1.052 173.985 174.900 0.228 0.000 1.236 252 G CA -0.726 44.509 45.100 0.226 0.000 0.786 252 G HN 0.014 nan 8.290 nan 0.000 0.616 253 Q N 0.312 120.305 119.800 0.322 0.000 2.348 253 Q HA 0.628 4.965 4.340 -0.005 0.000 0.271 253 Q C -2.275 173.878 176.000 0.254 0.000 1.067 253 Q CA -1.764 54.199 55.803 0.266 0.000 0.839 253 Q CB 0.903 29.835 28.738 0.323 0.000 1.354 253 Q HN 0.503 nan 8.270 nan 0.000 0.447 254 P HA 0.074 nan 4.420 nan 0.000 0.265 254 P C -0.462 176.819 177.300 -0.033 0.000 1.193 254 P CA 0.160 63.297 63.100 0.062 0.000 0.765 254 P CB 0.516 32.222 31.700 0.010 0.000 0.823 255 N N 3.176 121.801 118.700 -0.125 0.000 2.258 255 N HA 0.259 4.996 4.740 -0.005 0.000 0.299 255 N C -2.164 173.174 175.510 -0.286 0.000 1.047 255 N CA -2.271 50.527 53.050 -0.419 0.000 0.814 255 N CB 1.907 39.769 38.487 -1.041 0.000 1.413 255 N HN 0.001 nan 8.380 nan 0.000 0.478 256 P HA -0.066 nan 4.420 nan 0.000 0.218 256 P C 0.361 177.588 177.300 -0.121 0.000 1.148 256 P CA 1.447 64.445 63.100 -0.171 0.000 0.822 256 P CB 0.332 31.926 31.700 -0.177 0.000 0.784 257 K N -1.321 118.982 120.400 -0.162 0.000 2.555 257 K HA 0.069 4.386 4.320 -0.005 0.000 0.193 257 K C 0.242 176.889 176.600 0.078 0.000 1.032 257 K CA 0.244 56.513 56.287 -0.029 0.000 1.004 257 K CB -0.083 32.426 32.500 0.015 0.000 0.804 257 K HN 0.105 nan 8.250 nan 0.000 0.496 258 L N 2.075 123.337 121.223 0.065 0.000 2.504 258 L HA 0.155 4.492 4.340 -0.005 0.000 0.265 258 L C -1.078 175.853 176.870 0.102 0.000 0.975 258 L CA -0.713 54.220 54.840 0.156 0.000 0.864 258 L CB 1.073 43.338 42.059 0.344 0.000 1.212 258 L HN 0.063 nan 8.230 nan 0.000 0.416 259 D N 2.216 122.662 120.400 0.076 0.000 2.377 259 D HA 0.030 4.667 4.640 -0.005 0.000 0.245 259 D C 0.440 176.785 176.300 0.076 0.000 1.196 259 D CA -0.351 53.678 54.000 0.049 0.000 0.962 259 D CB 1.135 41.952 40.800 0.028 0.000 1.127 259 D HN 0.543 nan 8.370 nan 0.000 0.471 260 Q N 0.927 120.747 119.800 0.033 0.000 2.096 260 Q HA -0.156 4.181 4.340 -0.005 0.000 0.204 260 Q C 2.066 178.117 176.000 0.085 0.000 0.982 260 Q CA 2.660 58.475 55.803 0.021 0.000 0.850 260 Q CB -0.766 27.959 28.738 -0.023 0.000 0.901 260 Q HN 0.657 nan 8.270 nan 0.000 0.422 261 A N -0.011 122.845 122.820 0.060 0.000 1.883 261 A HA -0.244 4.073 4.320 -0.005 0.000 0.217 261 A C 2.110 179.739 177.584 0.075 0.000 1.186 261 A CA 1.691 53.763 52.037 0.058 0.000 0.624 261 A CB -0.745 18.274 19.000 0.031 0.000 0.822 261 A HN 0.429 nan 8.150 nan 0.000 0.444 262 Q N -0.813 119.034 119.800 0.077 0.000 2.050 262 Q HA -0.219 4.119 4.340 -0.005 0.000 0.202 262 Q C 2.102 178.163 176.000 0.102 0.000 0.980 262 Q CA 1.971 57.816 55.803 0.070 0.000 0.840 262 Q CB -0.596 28.186 28.738 0.073 0.000 0.898 262 Q HN 0.911 nan 8.270 nan 0.000 0.424 263 H N 0.869 119.966 119.070 0.046 0.000 2.290 263 H HA -0.148 4.405 4.556 -0.005 0.000 0.298 263 H C 1.116 176.468 175.328 0.039 0.000 1.087 263 H CA 1.994 58.074 56.048 0.054 0.000 1.291 263 H CB 0.160 29.961 29.762 0.066 0.000 1.369 263 H HN 0.200 nan 8.280 nan 0.000 0.492 264 D N 0.732 121.311 120.400 0.297 0.000 2.117 264 D HA -0.130 4.507 4.640 -0.005 0.000 0.197 264 D C 2.484 178.825 176.300 0.069 0.000 0.987 264 D CA 0.801 54.918 54.000 0.195 0.000 0.829 264 D CB -0.531 40.367 40.800 0.164 0.000 0.961 264 D HN 0.308 nan 8.370 nan 0.000 0.460 265 L N 0.774 122.030 121.223 0.054 0.000 2.046 265 L HA -0.086 4.252 4.340 -0.005 0.000 0.208 265 L C 2.066 178.962 176.870 0.044 0.000 1.077 265 L CA 1.292 56.155 54.840 0.039 0.000 0.747 265 L CB -0.505 41.562 42.059 0.013 0.000 0.896 265 L HN 0.003 nan 8.230 nan 0.000 0.432 266 I N -0.970 119.598 120.570 -0.003 0.000 2.127 266 I HA -0.364 3.803 4.170 -0.005 0.000 0.241 266 I C 2.394 178.519 176.117 0.013 0.000 1.075 266 I CA 1.659 62.958 61.300 -0.002 0.000 1.334 266 I CB -0.382 37.575 38.000 -0.072 0.000 1.040 266 I HN 0.263 nan 8.210 nan 0.000 0.405 267 L N 0.194 121.371 121.223 -0.077 0.000 2.093 267 L HA -0.200 4.137 4.340 -0.005 0.000 0.208 267 L C 2.551 179.418 176.870 -0.005 0.000 1.085 267 L CA 1.341 56.137 54.840 -0.073 0.000 0.755 267 L CB -0.528 41.489 42.059 -0.071 0.000 0.904 267 L HN 0.198 nan 8.230 nan 0.000 0.435 268 K N -0.953 119.469 120.400 0.037 0.000 2.103 268 K HA -0.215 4.102 4.320 -0.005 0.000 0.204 268 K C 1.942 178.569 176.600 0.045 0.000 1.052 268 K CA 1.475 57.791 56.287 0.048 0.000 0.945 268 K CB -0.235 32.297 32.500 0.054 0.000 0.722 268 K HN 0.307 nan 8.250 nan 0.000 0.443 269 W N 1.995 123.229 121.300 -0.109 0.000 2.358 269 W HA -0.146 4.511 4.660 -0.005 0.000 0.303 269 W C 1.429 177.848 176.519 -0.167 0.000 1.208 269 W CA 1.156 58.424 57.345 -0.128 0.000 1.274 269 W CB -0.249 29.127 29.460 -0.141 0.000 1.138 269 W HN -0.084 nan 8.180 nan 0.000 0.515 270 L N 0.358 121.428 121.223 -0.255 0.000 2.083 270 L HA -0.229 4.108 4.340 -0.005 0.000 0.209 270 L C 2.204 178.789 176.870 -0.474 0.000 1.083 270 L CA 1.621 56.074 54.840 -0.645 0.000 0.752 270 L CB -0.972 40.482 42.059 -1.008 0.000 0.899 270 L HN -0.113 nan 8.230 nan 0.000 0.433 271 D N 0.011 120.321 120.400 -0.151 0.000 2.190 271 D HA -0.180 4.457 4.640 -0.005 0.000 0.200 271 D C 2.020 178.267 176.300 -0.088 0.000 0.992 271 D CA 1.061 55.094 54.000 0.054 0.000 0.854 271 D CB -0.053 40.781 40.800 0.058 0.000 0.936 271 D HN 0.301 nan 8.370 nan 0.000 0.462 272 E N 0.391 120.461 120.200 -0.216 0.000 2.482 272 E HA -0.025 4.322 4.350 -0.005 0.000 0.196 272 E C 0.497 176.914 176.600 -0.305 0.000 1.047 272 E CA 0.356 56.613 56.400 -0.238 0.000 0.869 272 E CB 0.116 29.668 29.700 -0.248 0.000 0.836 272 E HN 0.386 nan 8.360 nan 0.000 0.520 273 Q N 0.659 120.218 119.800 -0.401 0.000 2.227 273 Q HA 0.363 4.700 4.340 -0.005 0.000 0.245 273 Q C -2.222 173.661 176.000 -0.194 0.000 0.926 273 Q CA -2.550 53.029 55.803 -0.374 0.000 0.895 273 Q CB -0.026 28.373 28.738 -0.565 0.000 1.230 273 Q HN -0.086 nan 8.270 nan 0.000 0.450 274 P HA 0.002 nan 4.420 nan 0.000 0.269 274 P C -0.808 176.460 177.300 -0.053 0.000 1.215 274 P CA -0.126 62.928 63.100 -0.077 0.000 0.780 274 P CB 0.442 32.108 31.700 -0.057 0.000 0.898 275 D N 2.362 122.745 120.400 -0.028 0.000 2.493 275 D HA -0.022 4.615 4.640 -0.005 0.000 0.240 275 D C 0.563 176.867 176.300 0.007 0.000 1.142 275 D CA 0.592 54.588 54.000 -0.006 0.000 0.872 275 D CB -0.043 40.754 40.800 -0.006 0.000 1.173 275 D HN 0.314 nan 8.370 nan 0.000 0.467 276 K N 0.231 120.646 120.400 0.026 0.000 3.020 276 K HA -0.226 4.091 4.320 -0.005 0.000 0.266 276 K C 0.665 177.291 176.600 0.044 0.000 1.067 276 K CA 0.879 57.194 56.287 0.047 0.000 0.780 276 K CB -1.561 30.976 32.500 0.061 0.000 1.220 276 K HN 0.503 nan 8.250 nan 0.000 0.483 277 S N -1.584 114.129 115.700 0.021 0.000 2.511 277 S HA 0.150 4.617 4.470 -0.005 0.000 0.214 277 S C 0.636 175.269 174.600 0.056 0.000 0.997 277 S CA -0.293 57.923 58.200 0.027 0.000 0.908 277 S CB 0.640 63.834 63.200 -0.011 0.000 0.803 277 S HN 0.072 nan 8.310 nan 0.000 0.504 278 V N 2.154 122.101 119.914 0.054 0.000 2.472 278 V HA 0.570 4.687 4.120 -0.005 0.000 0.290 278 V C -0.093 176.120 176.094 0.199 0.000 1.037 278 V CA -0.848 61.524 62.300 0.120 0.000 0.908 278 V CB 1.553 33.407 31.823 0.051 0.000 0.985 278 V HN 0.287 nan 8.190 nan 0.000 0.454 279 V N 6.114 126.200 119.914 0.288 0.000 2.427 279 V HA 0.563 4.680 4.120 -0.005 0.000 0.286 279 V C -0.896 175.447 176.094 0.415 0.000 1.034 279 V CA -0.442 62.045 62.300 0.312 0.000 0.893 279 V CB 1.234 33.218 31.823 0.268 0.000 0.982 279 V HN 0.680 nan 8.190 nan 0.000 0.452 280 F N 7.634 127.709 119.950 0.208 0.000 2.420 280 F HA 0.775 5.300 4.527 -0.004 0.000 0.342 280 F C -0.922 175.040 175.800 0.270 0.000 1.113 280 F CA -1.247 56.861 58.000 0.180 0.000 1.059 280 F CB 1.421 40.406 39.000 -0.025 0.000 1.128 280 F HN 0.388 nan 8.300 nan 0.000 0.475 281 L N 6.909 127.996 121.223 -0.226 0.000 2.349 281 L HA 0.533 4.870 4.340 -0.005 0.000 0.278 281 L C -0.987 175.536 176.870 -0.578 0.000 0.996 281 L CA -0.284 54.363 54.840 -0.323 0.000 0.825 281 L CB 1.612 43.606 42.059 -0.108 0.000 1.243 281 L HN 0.757 nan 8.230 nan 0.000 0.412 282 C N 3.347 122.166 119.300 -0.801 0.000 2.811 282 C HA 0.599 5.057 4.460 -0.005 0.000 0.352 282 C C -0.708 173.860 174.990 -0.703 0.000 1.098 282 C CA -0.679 57.992 59.018 -0.577 0.000 1.295 282 C CB 0.905 28.282 27.740 -0.605 0.000 1.758 282 C HN 0.713 nan 8.230 nan 0.000 0.488 283 F N 4.699 124.536 119.950 -0.188 0.000 2.798 283 F HA 0.549 5.073 4.527 -0.005 0.000 0.333 283 F C 1.121 176.510 175.800 -0.685 0.000 1.324 283 F CA 0.645 58.432 58.000 -0.355 0.000 1.183 283 F CB 0.385 39.196 39.000 -0.315 0.000 1.132 283 F HN 1.159 nan 8.300 nan 0.000 0.521 284 G N 0.896 109.284 108.800 -0.687 0.000 2.728 284 G HA2 -0.168 3.790 3.960 -0.005 0.000 0.294 284 G HA3 -0.168 3.790 3.960 -0.005 0.000 0.294 284 G C 0.510 175.383 174.900 -0.045 0.000 1.342 284 G CA -0.262 44.547 45.100 -0.485 0.000 0.866 284 G HN 0.565 nan 8.290 nan 0.000 0.534 285 S N -1.002 114.784 115.700 0.144 0.000 2.557 285 S HA 0.226 4.693 4.470 -0.005 0.000 0.223 285 S C 1.968 176.745 174.600 0.295 0.000 0.969 285 S CA 0.889 59.307 58.200 0.364 0.000 0.927 285 S CB 0.201 63.673 63.200 0.454 0.000 0.806 285 S HN 0.558 nan 8.310 nan 0.000 0.489 286 M N 1.352 121.053 119.600 0.167 0.000 2.557 286 M HA 0.174 4.651 4.480 -0.005 0.000 0.259 286 M C 1.881 178.218 176.300 0.062 0.000 1.086 286 M CA 1.050 56.393 55.300 0.073 0.000 1.096 286 M CB -1.826 30.729 32.600 -0.075 0.000 1.424 286 M HN 0.669 nan 8.290 nan 0.000 0.488 287 G N 0.845 109.704 108.800 0.098 0.000 2.166 287 G HA2 -0.215 3.742 3.960 -0.005 0.000 0.260 287 G HA3 -0.215 3.742 3.960 -0.005 0.000 0.260 287 G C 0.129 175.029 174.900 0.001 0.000 0.986 287 G CA 0.288 45.433 45.100 0.076 0.000 0.683 287 G HN 0.389 nan 8.290 nan 0.000 0.527 288 V N 1.870 121.753 119.914 -0.051 0.000 2.347 288 V HA 0.640 4.757 4.120 -0.005 0.000 0.280 288 V C 0.877 176.865 176.094 -0.177 0.000 1.021 288 V CA -0.090 62.151 62.300 -0.099 0.000 0.847 288 V CB 1.296 33.048 31.823 -0.118 0.000 0.990 288 V HN 0.801 nan 8.190 nan 0.000 0.444 289 S N 4.945 120.544 115.700 -0.168 0.000 2.707 289 S HA 0.686 5.154 4.470 -0.005 0.000 0.276 289 S C -0.217 174.223 174.600 -0.266 0.000 1.179 289 S CA -0.537 57.505 58.200 -0.264 0.000 0.992 289 S CB 0.774 63.890 63.200 -0.140 0.000 1.030 289 S HN 0.249 nan 8.310 nan 0.000 0.554 290 F N 0.874 120.714 119.950 -0.183 0.000 2.485 290 F HA 0.489 5.013 4.527 -0.005 0.000 0.327 290 F C 1.685 177.423 175.800 -0.103 0.000 1.203 290 F CA 0.401 58.308 58.000 -0.155 0.000 1.295 290 F CB -0.165 38.687 39.000 -0.246 0.000 1.191 290 F HN 0.893 nan 8.300 nan 0.000 0.588 291 G N 0.848 109.746 108.800 0.163 0.000 2.634 291 G HA2 0.261 4.218 3.960 -0.005 0.000 0.255 291 G HA3 0.261 4.218 3.960 -0.005 0.000 0.255 291 G C -2.024 172.878 174.900 0.003 0.000 1.205 291 G CA -0.952 44.181 45.100 0.055 0.000 0.884 291 G HN 0.411 nan 8.290 nan 0.000 0.549 292 P HA -0.133 nan 4.420 nan 0.000 0.214 292 P C 2.267 179.511 177.300 -0.092 0.000 1.163 292 P CA 1.946 64.991 63.100 -0.092 0.000 0.889 292 P CB 0.112 31.768 31.700 -0.072 0.000 0.790 293 S N -0.637 115.031 115.700 -0.054 0.000 2.359 293 S HA -0.250 4.217 4.470 -0.005 0.000 0.224 293 S C 2.098 176.659 174.600 -0.065 0.000 1.035 293 S CA 1.660 59.828 58.200 -0.053 0.000 1.018 293 S CB -0.995 62.188 63.200 -0.029 0.000 0.876 293 S HN 0.194 nan 8.310 nan 0.000 0.448 294 Q N 1.025 120.796 119.800 -0.048 0.000 2.124 294 Q HA -0.029 4.308 4.340 -0.005 0.000 0.202 294 Q C 1.880 177.810 176.000 -0.116 0.000 0.977 294 Q CA 1.297 57.045 55.803 -0.091 0.000 0.850 294 Q CB -0.396 28.276 28.738 -0.111 0.000 0.901 294 Q HN 0.400 nan 8.270 nan 0.000 0.429 295 I N 0.253 120.779 120.570 -0.073 0.000 2.226 295 I HA -0.251 3.917 4.170 -0.005 0.000 0.245 295 I C 2.199 178.272 176.117 -0.073 0.000 1.100 295 I CA 1.477 62.760 61.300 -0.029 0.000 1.374 295 I CB -0.912 36.948 38.000 -0.235 0.000 1.057 295 I HN 0.304 nan 8.210 nan 0.000 0.413 296 R N 0.439 120.844 120.500 -0.158 0.000 2.081 296 R HA -0.155 4.182 4.340 -0.005 0.000 0.235 296 R C 2.132 178.331 176.300 -0.170 0.000 1.131 296 R CA 1.044 57.045 56.100 -0.166 0.000 0.960 296 R CB -0.126 30.096 30.300 -0.130 0.000 0.856 296 R HN 0.362 nan 8.270 nan 0.000 0.436 297 E N 0.612 120.726 120.200 -0.142 0.000 2.106 297 E HA -0.137 4.210 4.350 -0.005 0.000 0.192 297 E C 2.044 178.531 176.600 -0.189 0.000 0.984 297 E CA 0.973 57.282 56.400 -0.152 0.000 0.806 297 E CB -0.059 29.572 29.700 -0.115 0.000 0.750 297 E HN 0.405 nan 8.360 nan 0.000 0.458 298 I N 1.014 121.467 120.570 -0.195 0.000 2.202 298 I HA -0.233 3.934 4.170 -0.005 0.000 0.242 298 I C 2.513 178.362 176.117 -0.446 0.000 1.091 298 I CA 0.981 62.088 61.300 -0.321 0.000 1.368 298 I CB -0.371 37.363 38.000 -0.443 0.000 1.058 298 I HN -0.011 nan 8.210 nan 0.000 0.410 299 A N 0.851 123.460 122.820 -0.353 0.000 1.883 299 A HA -0.248 4.069 4.320 -0.005 0.000 0.217 299 A C 2.272 179.579 177.584 -0.462 0.000 1.186 299 A CA 1.790 53.492 52.037 -0.559 0.000 0.624 299 A CB -0.921 17.521 19.000 -0.929 0.000 0.822 299 A HN 0.385 nan 8.150 nan 0.000 0.444 300 L N 0.004 120.997 121.223 -0.383 0.000 2.046 300 L HA -0.007 4.331 4.340 -0.005 0.000 0.208 300 L C 2.424 179.063 176.870 -0.385 0.000 1.077 300 L CA 2.308 56.914 54.840 -0.390 0.000 0.747 300 L CB -1.030 40.792 42.059 -0.395 0.000 0.896 300 L HN 0.313 nan 8.230 nan 0.000 0.432 301 G N -0.547 108.090 108.800 -0.273 0.000 2.418 301 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.217 301 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.217 301 G C 1.632 176.481 174.900 -0.086 0.000 1.158 301 G CA 1.054 46.057 45.100 -0.161 0.000 0.771 301 G HN 0.413 nan 8.290 nan 0.000 0.545 302 L N 0.072 121.202 121.223 -0.154 0.000 1.994 302 L HA -0.076 4.261 4.340 -0.005 0.000 0.208 302 L C 2.854 179.818 176.870 0.157 0.000 1.071 302 L CA 1.801 56.584 54.840 -0.095 0.000 0.745 302 L CB -0.318 41.466 42.059 -0.459 0.000 0.892 302 L HN 0.243 nan 8.230 nan 0.000 0.431 303 K N -0.985 119.520 120.400 0.175 0.000 2.057 303 K HA -0.227 4.090 4.320 -0.005 0.000 0.207 303 K C 2.180 178.880 176.600 0.166 0.000 1.049 303 K CA 1.442 57.816 56.287 0.145 0.000 0.931 303 K CB -0.030 32.383 32.500 -0.145 0.000 0.714 303 K HN 0.280 nan 8.250 nan 0.000 0.440 304 H N -0.103 118.960 119.070 -0.010 0.000 2.423 304 H HA -0.044 4.509 4.556 -0.005 0.000 0.297 304 H C 2.248 177.597 175.328 0.034 0.000 1.075 304 H CA 1.510 57.552 56.048 -0.010 0.000 1.342 304 H CB -0.279 29.466 29.762 -0.027 0.000 1.395 304 H HN 0.375 nan 8.280 nan 0.000 0.530 305 S N -0.992 114.820 115.700 0.186 0.000 2.447 305 S HA -0.006 4.461 4.470 -0.005 0.000 0.233 305 S C 2.046 176.743 174.600 0.162 0.000 1.006 305 S CA 0.880 59.165 58.200 0.142 0.000 0.957 305 S CB -0.353 62.921 63.200 0.124 0.000 0.773 305 S HN 0.621 nan 8.310 nan 0.000 0.507 306 G N 0.688 109.621 108.800 0.222 0.000 2.162 306 G HA2 -0.278 3.679 3.960 -0.005 0.000 0.260 306 G HA3 -0.278 3.679 3.960 -0.005 0.000 0.260 306 G C 0.239 175.295 174.900 0.261 0.000 0.976 306 G CA 0.442 45.687 45.100 0.242 0.000 0.655 306 G HN 1.650 nan 8.290 nan 0.000 0.533 307 V N -2.081 118.003 119.914 0.283 0.000 2.834 307 V HA 0.769 4.886 4.120 -0.005 0.000 0.301 307 V C 0.823 177.149 176.094 0.386 0.000 1.066 307 V CA -1.232 61.234 62.300 0.276 0.000 1.052 307 V CB 1.051 33.019 31.823 0.243 0.000 1.021 307 V HN 0.380 nan 8.190 nan 0.000 0.480 308 R N 2.892 123.562 120.500 0.283 0.000 2.582 308 R HA 0.654 4.991 4.340 -0.005 0.000 0.271 308 R C -0.645 175.901 176.300 0.410 0.000 1.078 308 R CA -0.024 56.233 56.100 0.262 0.000 1.127 308 R CB 0.896 31.259 30.300 0.105 0.000 1.038 308 R HN 0.882 nan 8.270 nan 0.000 0.500 309 F N -0.301 119.901 119.950 0.421 0.000 2.668 309 F HA 0.530 5.054 4.527 -0.004 0.000 0.309 309 F C -1.822 174.215 175.800 0.396 0.000 1.117 309 F CA -1.606 56.626 58.000 0.386 0.000 0.951 309 F CB 1.049 40.236 39.000 0.311 0.000 1.323 309 F HN 0.220 nan 8.300 nan 0.000 0.451 310 L N 3.517 125.115 121.223 0.625 0.000 2.372 310 L HA 0.533 4.871 4.340 -0.005 0.000 0.273 310 L C -2.111 175.156 176.870 0.661 0.000 0.989 310 L CA -0.653 54.478 54.840 0.486 0.000 0.841 310 L CB 1.241 43.571 42.059 0.452 0.000 1.225 310 L HN 0.809 nan 8.230 nan 0.000 0.414 311 W N 5.056 126.604 121.300 0.414 0.000 2.318 311 W HA 0.588 5.245 4.660 -0.005 0.000 0.315 311 W C -0.737 175.910 176.519 0.214 0.000 1.033 311 W CA -1.119 56.413 57.345 0.312 0.000 1.275 311 W CB 1.643 31.323 29.460 0.367 0.000 1.250 311 W HN 0.626 nan 8.180 nan 0.000 0.421 312 S N 7.254 123.215 115.700 0.435 0.000 2.438 312 S HA 0.597 5.064 4.470 -0.005 0.000 0.293 312 S C -0.363 174.330 174.600 0.155 0.000 1.141 312 S CA -0.338 57.977 58.200 0.192 0.000 1.080 312 S CB -0.217 63.049 63.200 0.110 0.000 0.978 312 S HN 0.612 nan 8.310 nan 0.000 0.479 313 N N 1.896 120.580 118.700 -0.026 0.000 2.961 313 N HA 0.135 4.872 4.740 -0.005 0.000 0.245 313 N C -1.132 174.351 175.510 -0.046 0.000 1.404 313 N CA -0.681 52.337 53.050 -0.053 0.000 0.880 313 N CB 0.973 39.311 38.487 -0.249 0.000 1.461 313 N HN 0.431 nan 8.380 nan 0.000 0.510 314 S N -1.300 114.384 115.700 -0.026 0.000 2.562 314 S HA 0.519 4.986 4.470 -0.005 0.000 0.246 314 S C 0.410 175.001 174.600 -0.015 0.000 1.056 314 S CA -0.487 57.712 58.200 -0.003 0.000 1.042 314 S CB -0.340 62.870 63.200 0.017 0.000 0.822 314 S HN 0.847 nan 8.310 nan 0.000 0.465 315 A N 1.530 124.332 122.820 -0.031 0.000 2.371 315 A HA 0.459 4.776 4.320 -0.005 0.000 0.257 315 A C 0.366 177.987 177.584 0.063 0.000 1.089 315 A CA -0.515 51.494 52.037 -0.046 0.000 0.794 315 A CB 0.200 19.073 19.000 -0.212 0.000 1.029 315 A HN 0.612 nan 8.150 nan 0.000 0.488 316 E N 1.004 121.222 120.200 0.030 0.000 2.366 316 E HA 0.096 4.443 4.350 -0.005 0.000 0.266 316 E C 0.309 177.032 176.600 0.204 0.000 1.051 316 E CA -0.712 55.738 56.400 0.083 0.000 0.884 316 E CB 0.654 30.375 29.700 0.035 0.000 1.006 316 E HN 0.496 nan 8.360 nan 0.000 0.417 317 K N 2.432 122.966 120.400 0.223 0.000 2.103 317 K HA -0.201 4.116 4.320 -0.005 0.000 0.207 317 K C 1.784 178.572 176.600 0.313 0.000 1.048 317 K CA 1.506 57.979 56.287 0.310 0.000 0.930 317 K CB -0.291 32.286 32.500 0.129 0.000 0.716 317 K HN 0.505 nan 8.250 nan 0.000 0.444 318 K N 0.705 121.205 120.400 0.165 0.000 2.280 318 K HA -0.037 4.281 4.320 -0.005 0.000 0.202 318 K C 1.795 178.452 176.600 0.096 0.000 1.047 318 K CA 1.014 57.371 56.287 0.118 0.000 0.942 318 K CB -0.278 32.261 32.500 0.065 0.000 0.739 318 K HN -0.170 nan 8.250 nan 0.000 0.457 319 V N 1.218 121.160 119.914 0.045 0.000 2.548 319 V HA -0.072 4.045 4.120 -0.005 0.000 0.249 319 V C 0.949 176.957 176.094 -0.144 0.000 1.055 319 V CA 0.802 63.040 62.300 -0.103 0.000 1.065 319 V CB -0.720 30.948 31.823 -0.257 0.000 0.681 319 V HN 0.146 nan 8.190 nan 0.000 0.462 320 F N 0.692 120.662 119.950 0.034 0.000 2.545 320 F HA 0.243 4.767 4.527 -0.004 0.000 0.348 320 F C -1.557 174.281 175.800 0.064 0.000 1.163 320 F CA -2.067 55.965 58.000 0.053 0.000 1.331 320 F CB -0.758 38.346 39.000 0.175 0.000 1.138 320 F HN -0.015 nan 8.300 nan 0.000 0.602 321 P HA -0.004 nan 4.420 nan 0.000 0.266 321 P C -0.888 176.551 177.300 0.232 0.000 1.195 321 P CA -0.048 63.138 63.100 0.144 0.000 0.768 321 P CB 0.330 32.071 31.700 0.069 0.000 0.838 322 E N 1.671 121.966 120.200 0.158 0.000 2.529 322 E HA 0.128 4.475 4.350 -0.005 0.000 0.259 322 E C 1.322 178.033 176.600 0.186 0.000 0.966 322 E CA 0.964 57.458 56.400 0.156 0.000 0.937 322 E CB -0.272 29.490 29.700 0.103 0.000 0.923 322 E HN 0.796 nan 8.360 nan 0.000 0.468 323 G N 3.151 112.068 108.800 0.195 0.000 2.253 323 G HA2 -0.392 3.565 3.960 -0.005 0.000 0.251 323 G HA3 -0.392 3.565 3.960 -0.005 0.000 0.251 323 G C 0.580 175.655 174.900 0.291 0.000 0.998 323 G CA 0.380 45.602 45.100 0.203 0.000 0.621 323 G HN 0.601 nan 8.290 nan 0.000 0.524 324 F N 1.545 121.616 119.950 0.202 0.000 2.046 324 F HA 0.072 4.596 4.527 -0.004 0.000 0.297 324 F C 2.625 178.614 175.800 0.315 0.000 1.123 324 F CA 2.466 60.641 58.000 0.293 0.000 1.199 324 F CB -0.477 38.704 39.000 0.302 0.000 0.972 324 F HN 0.202 nan 8.300 nan 0.000 0.474 325 L N 0.091 121.387 121.223 0.122 0.000 2.083 325 L HA -0.220 4.117 4.340 -0.005 0.000 0.209 325 L C 2.576 179.391 176.870 -0.092 0.000 1.083 325 L CA 1.897 56.668 54.840 -0.115 0.000 0.752 325 L CB -1.004 41.001 42.059 -0.090 0.000 0.899 325 L HN 0.324 nan 8.230 nan 0.000 0.433 326 E N 0.125 120.339 120.200 0.022 0.000 2.038 326 E HA -0.297 4.050 4.350 -0.005 0.000 0.195 326 E C 2.128 178.740 176.600 0.020 0.000 1.000 326 E CA 1.905 58.318 56.400 0.023 0.000 0.803 326 E CB -0.309 29.437 29.700 0.076 0.000 0.750 326 E HN 0.511 nan 8.360 nan 0.000 0.448 327 W N 1.438 122.686 121.300 -0.085 0.000 2.335 327 W HA -0.236 4.421 4.660 -0.005 0.000 0.311 327 W C 2.391 178.826 176.519 -0.140 0.000 1.213 327 W CA 2.426 59.724 57.345 -0.078 0.000 1.274 327 W CB -0.520 28.920 29.460 -0.034 0.000 1.148 327 W HN 0.097 nan 8.180 nan 0.000 0.498 328 M N 0.824 120.154 119.600 -0.450 0.000 2.080 328 M HA -0.268 4.210 4.480 -0.005 0.000 0.260 328 M C 1.994 177.936 176.300 -0.597 0.000 1.068 328 M CA 2.725 57.561 55.300 -0.774 0.000 1.109 328 M CB -0.467 31.801 32.600 -0.553 0.000 1.342 328 M HN 0.288 nan 8.290 nan 0.000 0.405 329 E N -0.401 119.569 120.200 -0.383 0.000 2.481 329 E HA -0.108 4.239 4.350 -0.005 0.000 0.195 329 E C 1.630 178.088 176.600 -0.236 0.000 1.047 329 E CA 0.523 56.748 56.400 -0.291 0.000 0.867 329 E CB -0.315 29.259 29.700 -0.210 0.000 0.858 329 E HN 0.509 nan 8.360 nan 0.000 0.513 330 L N 0.741 121.811 121.223 -0.254 0.000 2.102 330 L HA 0.045 4.382 4.340 -0.005 0.000 0.202 330 L C 1.861 178.605 176.870 -0.210 0.000 1.076 330 L CA 1.565 56.301 54.840 -0.173 0.000 0.761 330 L CB -0.017 41.983 42.059 -0.099 0.000 0.921 330 L HN -0.010 nan 8.230 nan 0.000 0.444 331 E N -0.036 119.938 120.200 -0.376 0.000 2.190 331 E HA 0.135 4.482 4.350 -0.005 0.000 0.191 331 E C 1.522 177.956 176.600 -0.277 0.000 0.978 331 E CA 0.811 57.010 56.400 -0.335 0.000 0.839 331 E CB -0.294 29.098 29.700 -0.513 0.000 0.787 331 E HN 0.522 nan 8.360 nan 0.000 0.473 332 G N 2.290 110.872 108.800 -0.363 0.000 2.176 332 G HA2 -0.365 3.592 3.960 -0.005 0.000 0.252 332 G HA3 -0.365 3.592 3.960 -0.005 0.000 0.252 332 G C 0.855 175.714 174.900 -0.069 0.000 1.024 332 G CA 0.897 45.883 45.100 -0.190 0.000 0.755 332 G HN 0.317 nan 8.290 nan 0.000 0.507 333 K N -0.222 119.976 120.400 -0.338 0.000 2.459 333 K HA 0.382 4.699 4.320 -0.005 0.000 0.193 333 K C 1.337 177.774 176.600 -0.271 0.000 1.030 333 K CA 1.017 57.194 56.287 -0.183 0.000 1.026 333 K CB -0.036 32.348 32.500 -0.193 0.000 0.809 333 K HN 0.719 nan 8.250 nan 0.000 0.504 334 G N 0.210 108.606 108.800 -0.674 0.000 2.684 334 G HA2 0.543 4.500 3.960 -0.005 0.000 0.290 334 G HA3 0.543 4.500 3.960 -0.005 0.000 0.290 334 G C -1.916 172.312 174.900 -1.119 0.000 1.425 334 G CA -0.735 43.542 45.100 -1.371 0.000 0.822 334 G HN 0.109 nan 8.290 nan 0.000 0.482 335 M N 0.419 119.441 119.600 -0.963 0.000 2.470 335 M HA 0.692 5.169 4.480 -0.005 0.000 0.285 335 M C -1.904 174.313 176.300 -0.137 0.000 1.213 335 M CA -0.749 54.140 55.300 -0.684 0.000 0.901 335 M CB 2.358 34.269 32.600 -1.150 0.000 1.718 335 M HN 0.429 nan 8.290 nan 0.000 0.469 336 I N 3.243 123.750 120.570 -0.106 0.000 2.569 336 I HA 0.655 4.823 4.170 -0.005 0.000 0.296 336 I C -0.818 175.267 176.117 -0.053 0.000 1.028 336 I CA -0.688 60.610 61.300 -0.003 0.000 1.082 336 I CB 1.904 39.845 38.000 -0.098 0.000 1.264 336 I HN 0.936 nan 8.210 nan 0.000 0.429 337 C N 1.399 120.702 119.300 0.004 0.000 3.080 337 C HA 0.767 5.224 4.460 -0.005 0.000 0.307 337 C C 1.116 176.137 174.990 0.050 0.000 1.311 337 C CA -0.349 58.684 59.018 0.025 0.000 1.533 337 C CB 0.958 28.733 27.740 0.058 0.000 1.970 337 C HN 0.930 nan 8.230 nan 0.000 0.467 338 G N -0.584 108.270 108.800 0.091 0.000 2.459 338 G HA2 0.238 4.195 3.960 -0.005 0.000 0.213 338 G HA3 0.238 4.195 3.960 -0.005 0.000 0.213 338 G C 0.211 175.257 174.900 0.242 0.000 1.155 338 G CA 0.506 45.682 45.100 0.128 0.000 0.811 338 G HN 0.907 nan 8.290 nan 0.000 0.534 339 W N 0.424 121.763 121.300 0.066 0.000 3.097 339 W HA 0.680 5.337 4.660 -0.005 0.000 0.335 339 W C -1.512 175.078 176.519 0.118 0.000 1.114 339 W CA -1.295 56.106 57.345 0.095 0.000 1.231 339 W CB 1.589 31.095 29.460 0.076 0.000 1.388 339 W HN 0.150 nan 8.180 nan 0.000 0.485 340 A N 6.670 129.258 122.820 -0.388 0.000 2.337 340 A HA 0.751 5.068 4.320 -0.005 0.000 0.331 340 A C -2.437 174.990 177.584 -0.262 0.000 1.137 340 A CA -1.390 50.547 52.037 -0.167 0.000 0.807 340 A CB 1.509 20.553 19.000 0.073 0.000 1.250 340 A HN 0.289 nan 8.150 nan 0.000 0.468 341 P HA 0.121 nan 4.420 nan 0.000 0.225 341 P C 0.224 177.445 177.300 -0.132 0.000 1.830 341 P CA -0.044 63.063 63.100 0.012 0.000 1.051 341 P CB 0.735 32.450 31.700 0.025 0.000 1.929 342 Q N 1.873 121.583 119.800 -0.149 0.000 2.062 342 Q HA -0.201 4.136 4.340 -0.005 0.000 0.209 342 Q C 1.726 177.595 176.000 -0.219 0.000 0.996 342 Q CA 2.934 58.621 55.803 -0.193 0.000 0.859 342 Q CB -0.353 28.360 28.738 -0.041 0.000 0.920 342 Q HN 0.275 nan 8.270 nan 0.000 0.415 343 V N -1.983 117.891 119.914 -0.066 0.000 2.515 343 V HA -0.189 3.928 4.120 -0.005 0.000 0.250 343 V C 1.668 177.639 176.094 -0.205 0.000 1.058 343 V CA 2.077 64.362 62.300 -0.025 0.000 1.064 343 V CB -0.752 31.152 31.823 0.134 0.000 0.675 343 V HN 0.320 nan 8.190 nan 0.000 0.461 344 E N 0.606 120.706 120.200 -0.167 0.000 2.152 344 E HA -0.067 4.280 4.350 -0.005 0.000 0.192 344 E C 2.325 178.742 176.600 -0.305 0.000 0.983 344 E CA 1.249 57.533 56.400 -0.193 0.000 0.818 344 E CB -0.141 29.505 29.700 -0.089 0.000 0.758 344 E HN 0.550 nan 8.360 nan 0.000 0.467 345 V N 1.622 121.292 119.914 -0.407 0.000 2.307 345 V HA -0.235 3.882 4.120 -0.005 0.000 0.245 345 V C 2.276 178.044 176.094 -0.544 0.000 1.045 345 V CA 1.436 63.411 62.300 -0.541 0.000 1.024 345 V CB -0.370 30.866 31.823 -0.977 0.000 0.651 345 V HN 0.268 nan 8.190 nan 0.000 0.449 346 L N 0.112 120.969 121.223 -0.610 0.000 2.265 346 L HA -0.114 4.223 4.340 -0.005 0.000 0.215 346 L C 2.455 178.877 176.870 -0.747 0.000 1.117 346 L CA 1.236 55.768 54.840 -0.513 0.000 0.782 346 L CB -0.615 41.273 42.059 -0.285 0.000 0.914 346 L HN 0.372 nan 8.230 nan 0.000 0.441 347 A N -2.169 120.012 122.820 -1.065 0.000 2.123 347 A HA -0.075 4.242 4.320 -0.005 0.000 0.214 347 A C 1.106 178.445 177.584 -0.408 0.000 1.152 347 A CA 0.106 51.472 52.037 -1.118 0.000 0.728 347 A CB -0.446 17.972 19.000 -0.970 0.000 0.814 347 A HN 0.288 nan 8.150 nan 0.000 0.464 348 H N 0.800 119.650 119.070 -0.367 0.000 2.764 348 H HA 0.149 4.702 4.556 -0.005 0.000 0.341 348 H C 0.559 175.792 175.328 -0.158 0.000 1.072 348 H CA 0.594 56.507 56.048 -0.225 0.000 1.444 348 H CB 0.816 30.446 29.762 -0.220 0.000 1.458 348 H HN 0.246 nan 8.280 nan 0.000 0.572 349 K N 3.079 123.385 120.400 -0.157 0.000 2.280 349 K HA -0.077 4.240 4.320 -0.005 0.000 0.202 349 K C 1.808 178.460 176.600 0.086 0.000 1.047 349 K CA 0.956 57.223 56.287 -0.034 0.000 0.942 349 K CB 0.232 32.670 32.500 -0.104 0.000 0.739 349 K HN 0.556 nan 8.250 nan 0.000 0.457 350 A N 1.285 124.272 122.820 0.277 0.000 2.066 350 A HA -0.030 4.287 4.320 -0.005 0.000 0.218 350 A C 0.892 178.489 177.584 0.023 0.000 1.157 350 A CA 0.467 52.550 52.037 0.076 0.000 0.670 350 A CB -0.110 18.842 19.000 -0.080 0.000 0.804 350 A HN 0.056 nan 8.150 nan 0.000 0.453 351 I N 0.993 121.584 120.570 0.034 0.000 2.494 351 I HA 0.141 4.308 4.170 -0.005 0.000 0.289 351 I C 1.390 177.553 176.117 0.077 0.000 1.106 351 I CA 0.274 61.594 61.300 0.034 0.000 1.369 351 I CB 0.180 38.161 38.000 -0.032 0.000 1.410 351 I HN 0.164 nan 8.210 nan 0.000 0.523 352 G N 4.751 113.616 108.800 0.108 0.000 2.944 352 G HA2 0.436 4.393 3.960 -0.005 0.000 0.220 352 G HA3 0.436 4.393 3.960 -0.005 0.000 0.220 352 G C 0.530 175.529 174.900 0.164 0.000 1.100 352 G CA 0.236 45.411 45.100 0.126 0.000 0.780 352 G HN 0.773 nan 8.290 nan 0.000 0.539 353 G N -0.757 108.162 108.800 0.199 0.000 2.698 353 G HA2 0.473 4.430 3.960 -0.005 0.000 0.293 353 G HA3 0.473 4.430 3.960 -0.005 0.000 0.293 353 G C -2.208 172.910 174.900 0.363 0.000 1.437 353 G CA -0.720 44.526 45.100 0.244 0.000 0.852 353 G HN 0.193 nan 8.290 nan 0.000 0.499 354 F N 1.968 122.004 119.950 0.144 0.000 2.671 354 F HA 0.535 5.060 4.527 -0.004 0.000 0.332 354 F C -0.890 174.936 175.800 0.042 0.000 1.189 354 F CA -1.648 56.434 58.000 0.136 0.000 0.988 354 F CB 1.821 40.933 39.000 0.186 0.000 1.258 354 F HN 0.320 nan 8.300 nan 0.000 0.471 355 V N 5.575 125.555 119.914 0.109 0.000 2.372 355 V HA 0.377 4.494 4.120 -0.005 0.000 0.261 355 V C 0.216 175.956 176.094 -0.591 0.000 1.055 355 V CA -0.058 62.158 62.300 -0.140 0.000 0.930 355 V CB 0.564 32.388 31.823 0.000 0.000 1.031 355 V HN 0.781 nan 8.190 nan 0.000 0.479 356 S N 2.974 118.218 115.700 -0.759 0.000 2.568 356 S HA 0.401 4.868 4.470 -0.005 0.000 0.302 356 S C 0.903 175.357 174.600 -0.243 0.000 1.082 356 S CA -0.704 56.959 58.200 -0.895 0.000 1.009 356 S CB 1.023 63.386 63.200 -1.395 0.000 1.069 356 S HN 0.909 nan 8.310 nan 0.000 0.500 357 H N 1.284 120.203 119.070 -0.251 0.000 2.547 357 H HA 0.151 4.704 4.556 -0.005 0.000 0.266 357 H C 0.873 176.202 175.328 0.002 0.000 0.988 357 H CA 0.548 56.626 56.048 0.051 0.000 1.147 357 H CB -1.569 28.272 29.762 0.133 0.000 1.365 357 H HN 0.646 nan 8.280 nan 0.000 0.589 358 C N 0.746 119.882 119.300 -0.274 0.000 4.432 358 C HA -0.094 4.364 4.460 -0.005 0.000 0.294 358 C C 1.557 176.334 174.990 -0.354 0.000 1.398 358 C CA 0.345 59.222 59.018 -0.234 0.000 1.988 358 C CB -2.464 25.245 27.740 -0.052 0.000 1.251 358 C HN 0.976 nan 8.230 nan 0.000 0.791 359 G N -1.049 107.290 108.800 -0.768 0.000 2.544 359 G HA2 0.258 4.215 3.960 -0.005 0.000 0.242 359 G HA3 0.258 4.215 3.960 -0.005 0.000 0.242 359 G C 0.777 175.671 174.900 -0.010 0.000 1.247 359 G CA 0.291 45.135 45.100 -0.426 0.000 0.840 359 G HN 0.702 nan 8.290 nan 0.000 0.578 360 W N 1.820 123.036 121.300 -0.141 0.000 2.363 360 W HA -0.146 4.512 4.660 -0.005 0.000 0.296 360 W C 1.802 178.319 176.519 -0.004 0.000 1.212 360 W CA 0.974 58.279 57.345 -0.068 0.000 1.260 360 W CB 0.219 29.618 29.460 -0.102 0.000 1.131 360 W HN 0.592 nan 8.180 nan 0.000 0.530 361 N N 0.184 118.869 118.700 -0.026 0.000 2.120 361 N HA -0.149 4.588 4.740 -0.005 0.000 0.188 361 N C 1.734 177.217 175.510 -0.044 0.000 1.024 361 N CA 1.887 54.889 53.050 -0.079 0.000 0.852 361 N CB -0.747 37.762 38.487 0.036 0.000 1.003 361 N HN 0.020 nan 8.380 nan 0.000 0.424 362 S N 1.141 116.887 115.700 0.076 0.000 2.382 362 S HA 0.000 4.467 4.470 -0.005 0.000 0.228 362 S C 1.989 176.689 174.600 0.166 0.000 1.027 362 S CA 0.466 58.798 58.200 0.220 0.000 0.991 362 S CB 0.021 63.441 63.200 0.366 0.000 0.823 362 S HN 0.212 nan 8.310 nan 0.000 0.469 363 I N 1.720 122.261 120.570 -0.047 0.000 2.202 363 I HA -0.091 4.076 4.170 -0.005 0.000 0.242 363 I C 2.178 178.140 176.117 -0.259 0.000 1.091 363 I CA 1.170 62.386 61.300 -0.140 0.000 1.368 363 I CB -1.459 36.397 38.000 -0.240 0.000 1.058 363 I HN 0.279 nan 8.210 nan 0.000 0.410 364 L N 0.372 121.278 121.223 -0.528 0.000 2.042 364 L HA -0.234 4.104 4.340 -0.005 0.000 0.210 364 L C 2.538 179.339 176.870 -0.114 0.000 1.076 364 L CA 1.477 56.075 54.840 -0.402 0.000 0.749 364 L CB -0.556 41.209 42.059 -0.489 0.000 0.893 364 L HN 0.305 nan 8.230 nan 0.000 0.432 365 E N -0.177 120.000 120.200 -0.039 0.000 2.051 365 E HA -0.212 4.135 4.350 -0.005 0.000 0.192 365 E C 2.302 179.058 176.600 0.260 0.000 0.991 365 E CA 1.624 58.088 56.400 0.107 0.000 0.799 365 E CB -0.135 29.658 29.700 0.154 0.000 0.748 365 E HN 0.533 nan 8.360 nan 0.000 0.449 366 S N 0.700 116.558 115.700 0.264 0.000 2.399 366 S HA -0.167 4.300 4.470 -0.005 0.000 0.231 366 S C 2.082 176.814 174.600 0.221 0.000 1.022 366 S CA 0.959 59.354 58.200 0.325 0.000 0.983 366 S CB -0.227 63.248 63.200 0.458 0.000 0.803 366 S HN 0.138 nan 8.310 nan 0.000 0.480 367 M N -0.075 119.595 119.600 0.118 0.000 2.132 367 M HA 0.000 4.478 4.480 -0.005 0.000 0.263 367 M C 2.222 178.540 176.300 0.030 0.000 1.065 367 M CA 1.577 56.911 55.300 0.057 0.000 1.122 367 M CB -0.447 32.160 32.600 0.012 0.000 1.365 367 M HN 0.572 nan 8.290 nan 0.000 0.411 368 W N 0.524 121.698 121.300 -0.210 0.000 2.350 368 W HA -0.211 4.446 4.660 -0.005 0.000 0.289 368 W C 0.756 176.995 176.519 -0.466 0.000 1.215 368 W CA 1.347 58.448 57.345 -0.407 0.000 1.236 368 W CB -0.173 28.943 29.460 -0.573 0.000 1.130 368 W HN 0.153 nan 8.180 nan 0.000 0.541 369 F N 0.606 120.626 119.950 0.117 0.000 2.727 369 F HA 0.311 4.835 4.527 -0.005 0.000 0.302 369 F C 1.857 177.644 175.800 -0.021 0.000 1.097 369 F CA 0.827 58.841 58.000 0.024 0.000 1.330 369 F CB -0.477 38.577 39.000 0.088 0.000 1.084 369 F HN -0.002 nan 8.300 nan 0.000 0.578 370 G N 1.400 110.259 108.800 0.098 0.000 2.273 370 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.280 370 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.280 370 G C -0.251 174.709 174.900 0.099 0.000 1.047 370 G CA 0.177 45.306 45.100 0.048 0.000 0.869 370 G HN 0.160 nan 8.290 nan 0.000 0.502 371 V N 0.859 120.874 119.914 0.169 0.000 2.394 371 V HA 0.443 4.561 4.120 -0.005 0.000 0.282 371 V C -1.514 174.706 176.094 0.209 0.000 1.031 371 V CA -1.794 60.622 62.300 0.195 0.000 0.881 371 V CB 1.768 33.730 31.823 0.231 0.000 0.982 371 V HN 0.169 nan 8.190 nan 0.000 0.451 372 P HA 0.318 nan 4.420 nan 0.000 0.271 372 P C -0.588 176.827 177.300 0.192 0.000 1.216 372 P CA 0.033 63.236 63.100 0.171 0.000 0.776 372 P CB 0.623 32.423 31.700 0.167 0.000 0.881 373 I N 2.844 123.496 120.570 0.136 0.000 2.441 373 I HA 0.293 4.460 4.170 -0.005 0.000 0.295 373 I C -0.344 175.796 176.117 0.038 0.000 0.994 373 I CA -1.012 60.328 61.300 0.067 0.000 1.144 373 I CB 1.687 39.685 38.000 -0.003 0.000 1.314 373 I HN 0.140 nan 8.210 nan 0.000 0.445 374 L N 6.951 128.181 121.223 0.011 0.000 2.276 374 L HA 0.365 4.702 4.340 -0.005 0.000 0.286 374 L C 0.399 177.275 176.870 0.010 0.000 1.024 374 L CA -0.089 54.764 54.840 0.022 0.000 0.826 374 L CB 1.140 43.224 42.059 0.041 0.000 1.211 374 L HN 0.672 nan 8.230 nan 0.000 0.422 375 T N 1.824 116.392 114.554 0.023 0.000 2.870 375 T HA 0.193 4.540 4.350 -0.005 0.000 0.300 375 T C -0.377 174.411 174.700 0.147 0.000 0.989 375 T CA -0.283 61.853 62.100 0.061 0.000 1.139 375 T CB 0.429 69.335 68.868 0.063 0.000 0.920 375 T HN 0.677 nan 8.240 nan 0.000 0.537 376 W N 7.103 128.423 121.300 0.033 0.000 1.713 376 W HA 0.323 4.981 4.660 -0.005 0.000 0.303 376 W C -2.909 173.724 176.519 0.190 0.000 0.915 376 W CA -2.874 54.532 57.345 0.102 0.000 1.751 376 W CB 0.884 30.474 29.460 0.216 0.000 1.955 376 W HN 0.585 nan 8.180 nan 0.000 0.405 377 P HA 0.171 nan 4.420 nan 0.000 0.270 377 P C 0.514 178.135 177.300 0.535 0.000 1.223 377 P CA 0.498 63.808 63.100 0.348 0.000 0.785 377 P CB 2.180 34.018 31.700 0.230 0.000 0.923 378 I N -0.467 120.331 120.570 0.380 0.000 3.859 378 I HA 0.108 4.275 4.170 -0.005 0.000 0.266 378 I C 0.397 176.763 176.117 0.415 0.000 1.132 378 I CA 0.127 61.737 61.300 0.518 0.000 1.361 378 I CB 0.187 38.521 38.000 0.557 0.000 1.690 378 I HN 0.364 nan 8.210 nan 0.000 0.424 379 Y N -0.074 120.372 120.300 0.245 0.000 2.876 379 Y HA 0.854 5.401 4.550 -0.005 0.000 0.317 379 Y C 0.610 176.616 175.900 0.176 0.000 1.369 379 Y CA -1.040 57.176 58.100 0.194 0.000 1.101 379 Y CB -0.065 38.501 38.460 0.177 0.000 1.346 379 Y HN 0.153 nan 8.280 nan 0.000 0.505 380 A N 0.954 123.978 122.820 0.340 0.000 5.483 380 A HA -0.349 3.968 4.320 -0.005 0.000 0.309 380 A C 0.759 178.428 177.584 0.141 0.000 1.898 380 A CA 1.804 53.989 52.037 0.247 0.000 0.716 380 A CB -2.171 16.924 19.000 0.158 0.000 1.309 380 A HN 1.229 nan 8.150 nan 0.000 0.380 381 E N 0.551 120.754 120.200 0.004 0.000 2.437 381 E HA 0.390 4.738 4.350 -0.005 0.000 0.195 381 E C 1.081 177.670 176.600 -0.017 0.000 1.029 381 E CA 0.726 57.134 56.400 0.013 0.000 0.948 381 E CB -0.204 29.439 29.700 -0.095 0.000 1.082 381 E HN 0.668 nan 8.360 nan 0.000 0.456 382 Q N 0.395 120.163 119.800 -0.055 0.000 2.170 382 Q HA -0.184 4.153 4.340 -0.005 0.000 0.203 382 Q C 1.403 177.430 176.000 0.045 0.000 0.976 382 Q CA 1.524 57.289 55.803 -0.063 0.000 0.858 382 Q CB -0.072 28.554 28.738 -0.186 0.000 0.907 382 Q HN 0.281 nan 8.270 nan 0.000 0.433 383 Q N 0.286 120.138 119.800 0.087 0.000 2.079 383 Q HA -0.132 4.205 4.340 -0.005 0.000 0.200 383 Q C 1.874 177.946 176.000 0.119 0.000 0.974 383 Q CA 0.887 56.763 55.803 0.122 0.000 0.840 383 Q CB -0.214 28.598 28.738 0.123 0.000 0.898 383 Q HN 0.240 nan 8.270 nan 0.000 0.430 384 L N 0.670 121.944 121.223 0.084 0.000 2.046 384 L HA -0.140 4.197 4.340 -0.005 0.000 0.208 384 L C 1.326 178.258 176.870 0.103 0.000 1.077 384 L CA 1.716 56.602 54.840 0.078 0.000 0.747 384 L CB -0.572 41.506 42.059 0.032 0.000 0.896 384 L HN 0.172 nan 8.230 nan 0.000 0.432 385 N N 0.283 119.035 118.700 0.087 0.000 2.120 385 N HA -0.124 4.613 4.740 -0.005 0.000 0.188 385 N C 1.859 177.474 175.510 0.175 0.000 1.024 385 N CA 1.591 54.730 53.050 0.149 0.000 0.852 385 N CB -0.579 38.031 38.487 0.205 0.000 1.003 385 N HN 0.508 nan 8.380 nan 0.000 0.424 386 A N 0.788 123.696 122.820 0.147 0.000 1.877 386 A HA -0.133 4.184 4.320 -0.005 0.000 0.216 386 A C 2.125 179.779 177.584 0.116 0.000 1.186 386 A CA 1.007 53.125 52.037 0.134 0.000 0.620 386 A CB -1.018 18.062 19.000 0.133 0.000 0.822 386 A HN 0.267 nan 8.150 nan 0.000 0.443 387 F N 0.920 120.864 119.950 -0.011 0.000 2.065 387 F HA -0.230 4.295 4.527 -0.004 0.000 0.298 387 F C 2.411 178.138 175.800 -0.121 0.000 1.112 387 F CA 2.206 60.174 58.000 -0.053 0.000 1.212 387 F CB -0.317 38.645 39.000 -0.063 0.000 0.975 387 F HN 0.138 nan 8.300 nan 0.000 0.476 388 R N 0.079 120.434 120.500 -0.242 0.000 2.092 388 R HA -0.112 4.225 4.340 -0.005 0.000 0.231 388 R C 2.358 178.362 176.300 -0.495 0.000 1.119 388 R CA 1.557 57.283 56.100 -0.623 0.000 0.970 388 R CB -0.659 29.123 30.300 -0.863 0.000 0.864 388 R HN 0.379 nan 8.270 nan 0.000 0.440 389 L N 0.241 121.439 121.223 -0.041 0.000 2.042 389 L HA -0.195 4.142 4.340 -0.005 0.000 0.210 389 L C 2.245 179.161 176.870 0.077 0.000 1.076 389 L CA 1.177 56.176 54.840 0.265 0.000 0.749 389 L CB -0.272 41.950 42.059 0.270 0.000 0.893 389 L HN 0.064 nan 8.230 nan 0.000 0.432 390 V N -0.985 118.890 119.914 -0.066 0.000 2.331 390 V HA -0.125 3.992 4.120 -0.005 0.000 0.242 390 V C 2.270 178.244 176.094 -0.200 0.000 1.034 390 V CA 1.300 63.542 62.300 -0.097 0.000 1.027 390 V CB -0.325 31.445 31.823 -0.087 0.000 0.667 390 V HN 0.323 nan 8.190 nan 0.000 0.457 391 K N -0.100 120.041 120.400 -0.432 0.000 2.314 391 K HA 0.043 4.360 4.320 -0.005 0.000 0.198 391 K C 1.878 178.223 176.600 -0.425 0.000 1.045 391 K CA 0.759 56.746 56.287 -0.499 0.000 0.988 391 K CB 0.350 32.298 32.500 -0.921 0.000 0.783 391 K HN 0.619 nan 8.250 nan 0.000 0.484 392 E N -0.741 119.163 120.200 -0.493 0.000 2.134 392 E HA -0.028 4.319 4.350 -0.005 0.000 0.194 392 E C 1.153 177.602 176.600 -0.252 0.000 0.937 392 E CA 0.018 56.145 56.400 -0.455 0.000 0.874 392 E CB 0.213 29.463 29.700 -0.750 0.000 0.853 392 E HN 0.169 nan 8.360 nan 0.000 0.471 393 W N 0.648 121.907 121.300 -0.069 0.000 2.770 393 W HA 0.303 4.960 4.660 -0.004 0.000 0.256 393 W C 1.168 177.673 176.519 -0.024 0.000 1.291 393 W CA 0.991 58.318 57.345 -0.030 0.000 1.396 393 W CB -0.377 29.084 29.460 0.002 0.000 1.114 393 W HN 0.429 nan 8.180 nan 0.000 0.637 394 G N 1.096 109.974 108.800 0.130 0.000 2.258 394 G HA2 -0.319 3.638 3.960 -0.005 0.000 0.274 394 G HA3 -0.319 3.638 3.960 -0.005 0.000 0.274 394 G C 0.681 175.647 174.900 0.109 0.000 1.021 394 G CA 0.766 45.913 45.100 0.078 0.000 0.798 394 G HN 0.365 nan 8.290 nan 0.000 0.507 395 V N -3.129 116.881 119.914 0.161 0.000 3.644 395 V HA 0.638 4.755 4.120 -0.005 0.000 0.267 395 V C 1.321 177.485 176.094 0.117 0.000 1.277 395 V CA 0.993 63.373 62.300 0.134 0.000 1.096 395 V CB 0.240 32.149 31.823 0.144 0.000 0.828 395 V HN 1.087 nan 8.190 nan 0.000 0.446 396 G N -0.022 108.845 108.800 0.112 0.000 2.537 396 G HA2 0.725 4.682 3.960 -0.005 0.000 0.308 396 G HA3 0.725 4.682 3.960 -0.005 0.000 0.308 396 G C -1.358 173.575 174.900 0.055 0.000 1.237 396 G CA -0.934 44.218 45.100 0.087 0.000 0.968 396 G HN 0.195 nan 8.290 nan 0.000 0.481 397 L N 0.236 121.486 121.223 0.045 0.000 2.334 397 L HA 0.633 4.971 4.340 -0.005 0.000 0.273 397 L C 0.739 177.617 176.870 0.012 0.000 1.013 397 L CA -1.003 53.852 54.840 0.026 0.000 0.816 397 L CB 2.204 44.281 42.059 0.030 0.000 1.278 397 L HN 0.639 nan 8.230 nan 0.000 0.431 398 G N 1.223 110.022 108.800 -0.002 0.000 2.322 398 G HA2 0.418 4.375 3.960 -0.005 0.000 0.309 398 G HA3 0.418 4.375 3.960 -0.005 0.000 0.309 398 G C 0.068 174.939 174.900 -0.048 0.000 1.121 398 G CA -0.303 44.789 45.100 -0.013 0.000 0.886 398 G HN 0.526 nan 8.290 nan 0.000 0.447 399 L N 1.962 123.134 121.223 -0.085 0.000 2.262 399 L HA 0.554 4.891 4.340 -0.005 0.000 0.197 399 L C 0.780 177.520 176.870 -0.216 0.000 1.073 399 L CA 0.967 55.699 54.840 -0.181 0.000 0.800 399 L CB 0.101 42.002 42.059 -0.263 0.000 0.987 399 L HN 0.343 nan 8.230 nan 0.000 0.470 400 R N -1.138 119.247 120.500 -0.192 0.000 2.584 400 R HA 0.380 4.717 4.340 -0.005 0.000 0.276 400 R C -0.478 175.831 176.300 0.014 0.000 1.046 400 R CA 0.042 56.072 56.100 -0.116 0.000 0.906 400 R CB 1.861 32.038 30.300 -0.205 0.000 1.215 400 R HN -0.077 nan 8.270 nan 0.000 0.449 401 V N 1.504 121.460 119.914 0.070 0.000 3.604 401 V HA 0.040 4.158 4.120 -0.005 0.000 0.277 401 V C 0.379 176.559 176.094 0.144 0.000 1.399 401 V CA 1.036 63.412 62.300 0.127 0.000 1.034 401 V CB 0.406 32.325 31.823 0.161 0.000 0.824 401 V HN 0.764 nan 8.190 nan 0.000 0.439 402 D N -1.419 119.056 120.400 0.125 0.000 2.501 402 D HA 0.036 4.673 4.640 -0.005 0.000 0.224 402 D C 0.303 176.684 176.300 0.136 0.000 1.202 402 D CA -0.470 53.594 54.000 0.105 0.000 0.829 402 D CB -0.370 40.458 40.800 0.048 0.000 1.023 402 D HN 0.449 nan 8.370 nan 0.000 0.499 403 Y N 2.878 123.230 120.300 0.087 0.000 2.411 403 Y HA 0.268 4.815 4.550 -0.004 0.000 0.333 403 Y C 0.608 176.627 175.900 0.197 0.000 1.186 403 Y CA 0.083 58.267 58.100 0.142 0.000 1.381 403 Y CB 0.548 39.135 38.460 0.210 0.000 1.273 403 Y HN 0.045 nan 8.280 nan 0.000 0.546 404 R N 2.706 123.007 120.500 -0.330 0.000 2.747 404 R HA 0.418 4.755 4.340 -0.005 0.000 0.272 404 R C -1.571 174.557 176.300 -0.286 0.000 1.032 404 R CA -1.493 54.546 56.100 -0.101 0.000 0.896 404 R CB 0.536 30.841 30.300 0.008 0.000 1.253 404 R HN 0.404 nan 8.270 nan 0.000 0.461 405 K N 0.266 120.649 120.400 -0.030 0.000 2.491 405 K HA 0.218 4.535 4.320 -0.005 0.000 0.279 405 K C 0.849 177.400 176.600 -0.082 0.000 1.026 405 K CA 1.897 58.174 56.287 -0.016 0.000 1.070 405 K CB 0.006 32.536 32.500 0.050 0.000 0.887 405 K HN 0.861 nan 8.250 nan 0.000 0.481 406 G N 2.061 110.810 108.800 -0.086 0.000 2.213 406 G HA2 -0.236 3.721 3.960 -0.005 0.000 0.226 406 G HA3 -0.236 3.721 3.960 -0.005 0.000 0.226 406 G C 0.094 174.922 174.900 -0.122 0.000 0.992 406 G CA 0.146 45.198 45.100 -0.079 0.000 0.632 406 G HN 0.686 nan 8.290 nan 0.000 0.511 407 S N 1.548 117.096 115.700 -0.254 0.000 2.584 407 S HA 0.435 4.902 4.470 -0.005 0.000 0.270 407 S C 0.371 174.926 174.600 -0.075 0.000 1.346 407 S CA -0.296 57.755 58.200 -0.249 0.000 1.018 407 S CB 0.730 63.588 63.200 -0.570 0.000 0.899 407 S HN 0.394 nan 8.310 nan 0.000 0.542 408 D N 1.171 121.567 120.400 -0.008 0.000 2.371 408 D HA 0.178 4.816 4.640 -0.005 0.000 0.242 408 D C 0.405 176.773 176.300 0.112 0.000 1.218 408 D CA -0.298 53.724 54.000 0.036 0.000 0.945 408 D CB 0.405 41.211 40.800 0.009 0.000 1.137 408 D HN 0.360 nan 8.370 nan 0.000 0.464 409 V N -1.114 118.845 119.914 0.075 0.000 2.740 409 V HA 0.139 4.257 4.120 -0.005 0.000 0.303 409 V C 0.209 176.316 176.094 0.021 0.000 1.054 409 V CA -0.626 61.717 62.300 0.071 0.000 1.106 409 V CB 0.712 32.545 31.823 0.017 0.000 0.957 409 V HN 0.174 nan 8.190 nan 0.000 0.486 410 V N 5.574 125.476 119.914 -0.020 0.000 2.406 410 V HA 0.608 4.725 4.120 -0.005 0.000 0.272 410 V C 1.003 177.015 176.094 -0.137 0.000 1.043 410 V CA 0.222 62.427 62.300 -0.159 0.000 0.915 410 V CB 0.583 32.131 31.823 -0.459 0.000 0.988 410 V HN 1.355 nan 8.190 nan 0.000 0.466 411 A N 4.416 127.164 122.820 -0.120 0.000 2.425 411 A HA 0.595 4.912 4.320 -0.005 0.000 0.242 411 A C 1.611 179.126 177.584 -0.116 0.000 1.077 411 A CA 0.367 52.344 52.037 -0.100 0.000 0.781 411 A CB 0.405 19.360 19.000 -0.076 0.000 1.020 411 A HN 1.253 nan 8.150 nan 0.000 0.494 412 A N 1.038 123.793 122.820 -0.109 0.000 1.908 412 A HA -0.149 4.168 4.320 -0.005 0.000 0.218 412 A C 1.757 179.294 177.584 -0.078 0.000 1.181 412 A CA 2.275 54.240 52.037 -0.120 0.000 0.627 412 A CB -0.649 18.256 19.000 -0.159 0.000 0.818 412 A HN 0.889 nan 8.150 nan 0.000 0.445 413 E N -0.377 119.792 120.200 -0.051 0.000 2.058 413 E HA -0.200 4.147 4.350 -0.005 0.000 0.194 413 E C 1.975 178.546 176.600 -0.047 0.000 0.997 413 E CA 1.540 57.925 56.400 -0.024 0.000 0.801 413 E CB -0.242 29.447 29.700 -0.018 0.000 0.746 413 E HN 0.819 nan 8.360 nan 0.000 0.450 414 E N 0.068 120.221 120.200 -0.079 0.000 2.150 414 E HA -0.149 4.198 4.350 -0.005 0.000 0.193 414 E C 1.917 178.444 176.600 -0.122 0.000 0.985 414 E CA 0.768 57.106 56.400 -0.103 0.000 0.814 414 E CB -0.035 29.584 29.700 -0.136 0.000 0.752 414 E HN 0.254 nan 8.360 nan 0.000 0.466 415 I N 0.835 121.323 120.570 -0.136 0.000 2.252 415 I HA -0.212 3.955 4.170 -0.005 0.000 0.245 415 I C 2.593 178.669 176.117 -0.068 0.000 1.102 415 I CA 1.058 62.281 61.300 -0.129 0.000 1.385 415 I CB -0.278 37.645 38.000 -0.128 0.000 1.064 415 I HN 0.201 nan 8.210 nan 0.000 0.414 416 E N 1.340 121.514 120.200 -0.044 0.000 2.118 416 E HA -0.302 4.045 4.350 -0.005 0.000 0.195 416 E C 2.204 178.805 176.600 0.001 0.000 0.992 416 E CA 1.380 57.780 56.400 -0.000 0.000 0.804 416 E CB 0.058 29.778 29.700 0.033 0.000 0.741 416 E HN 0.321 nan 8.360 nan 0.000 0.458 417 K N -0.364 120.026 120.400 -0.017 0.000 2.057 417 K HA -0.109 4.208 4.320 -0.005 0.000 0.206 417 K C 2.092 178.683 176.600 -0.015 0.000 1.050 417 K CA 1.402 57.680 56.287 -0.015 0.000 0.935 417 K CB -0.292 32.191 32.500 -0.028 0.000 0.715 417 K HN 0.166 nan 8.250 nan 0.000 0.439 418 G N 1.377 110.158 108.800 -0.033 0.000 2.418 418 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.217 418 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.217 418 G C 1.504 176.407 174.900 0.006 0.000 1.158 418 G CA 0.653 45.738 45.100 -0.026 0.000 0.771 418 G HN 0.210 nan 8.290 nan 0.000 0.545 419 L N -0.065 121.166 121.223 0.014 0.000 2.046 419 L HA -0.086 4.251 4.340 -0.005 0.000 0.208 419 L C 2.981 179.884 176.870 0.054 0.000 1.077 419 L CA 1.406 56.273 54.840 0.045 0.000 0.747 419 L CB -0.280 41.809 42.059 0.050 0.000 0.896 419 L HN 0.188 nan 8.230 nan 0.000 0.432 420 K N -0.323 120.102 120.400 0.041 0.000 2.097 420 K HA -0.153 4.164 4.320 -0.005 0.000 0.205 420 K C 1.698 178.318 176.600 0.034 0.000 1.050 420 K CA 1.368 57.680 56.287 0.041 0.000 0.938 420 K CB -0.136 32.382 32.500 0.031 0.000 0.718 420 K HN 0.266 nan 8.250 nan 0.000 0.442 421 D N 0.943 121.359 120.400 0.027 0.000 2.144 421 D HA -0.127 4.510 4.640 -0.005 0.000 0.200 421 D C 1.844 178.169 176.300 0.040 0.000 0.978 421 D CA 0.686 54.701 54.000 0.026 0.000 0.833 421 D CB -0.127 40.683 40.800 0.017 0.000 0.961 421 D HN 0.020 nan 8.370 nan 0.000 0.470 422 L N 0.357 121.610 121.223 0.051 0.000 2.046 422 L HA -0.082 4.255 4.340 -0.005 0.000 0.208 422 L C 1.754 178.674 176.870 0.083 0.000 1.077 422 L CA 1.460 56.344 54.840 0.073 0.000 0.747 422 L CB -0.304 41.805 42.059 0.084 0.000 0.896 422 L HN -0.093 nan 8.230 nan 0.000 0.432 423 M N -0.496 119.149 119.600 0.075 0.000 2.628 423 M HA 0.103 4.580 4.480 -0.005 0.000 0.232 423 M C 0.062 176.386 176.300 0.039 0.000 1.128 423 M CA -0.040 55.303 55.300 0.072 0.000 1.040 423 M CB -1.454 31.196 32.600 0.082 0.000 1.608 423 M HN 0.195 nan 8.290 nan 0.000 0.507 424 D N 1.801 122.217 120.400 0.028 0.000 2.339 424 D HA 0.007 4.644 4.640 -0.005 0.000 0.256 424 D C 1.126 177.399 176.300 -0.046 0.000 1.214 424 D CA 0.190 54.189 54.000 -0.001 0.000 0.877 424 D CB 0.984 41.788 40.800 0.006 0.000 1.111 424 D HN -0.075 nan 8.370 nan 0.000 0.478 425 K N 2.971 123.319 120.400 -0.086 0.000 2.209 425 K HA -0.120 4.197 4.320 -0.005 0.000 0.204 425 K C 0.017 176.476 176.600 -0.235 0.000 1.048 425 K CA 0.952 57.116 56.287 -0.205 0.000 0.940 425 K CB 0.233 32.643 32.500 -0.151 0.000 0.729 425 K HN 0.512 nan 8.250 nan 0.000 0.451 426 D N 0.808 121.144 120.400 -0.106 0.000 2.336 426 D HA -0.023 4.614 4.640 -0.005 0.000 0.228 426 D C 0.055 176.347 176.300 -0.014 0.000 1.120 426 D CA 0.074 54.038 54.000 -0.059 0.000 0.839 426 D CB 0.302 41.084 40.800 -0.030 0.000 0.932 426 D HN 0.027 nan 8.370 nan 0.000 0.509 427 S N 0.802 116.499 115.700 -0.004 0.000 2.560 427 S HA 0.036 4.503 4.470 -0.005 0.000 0.284 427 S C 1.855 176.505 174.600 0.084 0.000 1.327 427 S CA -0.580 57.647 58.200 0.046 0.000 1.055 427 S CB 0.470 63.711 63.200 0.068 0.000 0.868 427 S HN 0.243 nan 8.310 nan 0.000 0.506 428 I N 3.891 124.502 120.570 0.068 0.000 2.394 428 I HA -0.037 4.130 4.170 -0.005 0.000 0.251 428 I C 1.912 178.082 176.117 0.089 0.000 1.136 428 I CA 1.324 62.666 61.300 0.071 0.000 1.425 428 I CB -0.908 37.120 38.000 0.046 0.000 1.079 428 I HN 0.567 nan 8.210 nan 0.000 0.425 429 V N -0.874 119.096 119.914 0.093 0.000 2.913 429 V HA -0.230 3.887 4.120 -0.005 0.000 0.260 429 V C 2.512 178.671 176.094 0.108 0.000 1.098 429 V CA 1.886 64.240 62.300 0.092 0.000 1.121 429 V CB -1.584 30.291 31.823 0.088 0.000 0.714 429 V HN 0.488 nan 8.190 nan 0.000 0.487 430 H N 1.568 120.662 119.070 0.041 0.000 2.290 430 H HA -0.170 4.383 4.556 -0.005 0.000 0.298 430 H C 2.309 177.657 175.328 0.033 0.000 1.087 430 H CA 2.687 58.759 56.048 0.039 0.000 1.291 430 H CB -0.120 29.662 29.762 0.033 0.000 1.369 430 H HN 0.522 nan 8.280 nan 0.000 0.492 431 K N 0.054 120.489 120.400 0.057 0.000 2.057 431 K HA -0.195 4.122 4.320 -0.005 0.000 0.207 431 K C 2.171 178.754 176.600 -0.029 0.000 1.049 431 K CA 1.623 57.908 56.287 -0.003 0.000 0.931 431 K CB -0.018 32.511 32.500 0.048 0.000 0.714 431 K HN 0.050 nan 8.250 nan 0.000 0.440 432 K N 0.478 120.883 120.400 0.007 0.000 2.057 432 K HA -0.072 4.245 4.320 -0.005 0.000 0.207 432 K C 1.845 178.443 176.600 -0.005 0.000 1.049 432 K CA 1.136 57.434 56.287 0.017 0.000 0.931 432 K CB -0.248 32.283 32.500 0.051 0.000 0.714 432 K HN 0.004 nan 8.250 nan 0.000 0.440 433 V N 0.615 120.514 119.914 -0.025 0.000 2.343 433 V HA -0.246 3.871 4.120 -0.005 0.000 0.247 433 V C 2.381 178.425 176.094 -0.083 0.000 1.051 433 V CA 1.994 64.273 62.300 -0.036 0.000 1.036 433 V CB -0.512 31.292 31.823 -0.032 0.000 0.654 433 V HN 0.402 nan 8.190 nan 0.000 0.451 434 Q N 0.688 120.399 119.800 -0.148 0.000 2.084 434 Q HA -0.219 4.118 4.340 -0.005 0.000 0.202 434 Q C 2.059 178.001 176.000 -0.097 0.000 0.978 434 Q CA 2.102 57.816 55.803 -0.147 0.000 0.844 434 Q CB -0.344 28.285 28.738 -0.182 0.000 0.898 434 Q HN 0.717 nan 8.270 nan 0.000 0.426 435 E N -0.730 119.430 120.200 -0.066 0.000 2.106 435 E HA -0.177 4.170 4.350 -0.005 0.000 0.192 435 E C 1.784 178.364 176.600 -0.032 0.000 0.984 435 E CA 1.262 57.638 56.400 -0.040 0.000 0.806 435 E CB -0.158 29.534 29.700 -0.013 0.000 0.750 435 E HN 0.318 nan 8.360 nan 0.000 0.458 436 M N 1.356 120.943 119.600 -0.022 0.000 2.229 436 M HA -0.128 4.349 4.480 -0.005 0.000 0.264 436 M C 1.956 178.229 176.300 -0.046 0.000 1.063 436 M CA 1.543 56.845 55.300 0.004 0.000 1.114 436 M CB 0.006 32.612 32.600 0.009 0.000 1.387 436 M HN -0.156 nan 8.290 nan 0.000 0.420 437 K N -0.084 120.256 120.400 -0.099 0.000 2.026 437 K HA -0.194 4.123 4.320 -0.005 0.000 0.208 437 K C 1.712 178.154 176.600 -0.263 0.000 1.048 437 K CA 1.956 58.127 56.287 -0.193 0.000 0.929 437 K CB -0.216 32.173 32.500 -0.185 0.000 0.713 437 K HN 0.487 nan 8.250 nan 0.000 0.439 438 E N 0.356 120.442 120.200 -0.189 0.000 2.085 438 E HA -0.216 4.131 4.350 -0.005 0.000 0.194 438 E C 2.153 178.646 176.600 -0.178 0.000 0.994 438 E CA 1.720 58.009 56.400 -0.185 0.000 0.801 438 E CB -0.138 29.492 29.700 -0.116 0.000 0.743 438 E HN 0.404 nan 8.360 nan 0.000 0.453 439 M N 0.783 120.318 119.600 -0.109 0.000 2.132 439 M HA -0.140 4.337 4.480 -0.005 0.000 0.263 439 M C 2.677 178.816 176.300 -0.268 0.000 1.065 439 M CA 1.556 56.823 55.300 -0.056 0.000 1.122 439 M CB -0.355 32.323 32.600 0.131 0.000 1.365 439 M HN 0.119 nan 8.290 nan 0.000 0.411 440 S N 0.237 115.655 115.700 -0.469 0.000 2.383 440 S HA -0.069 4.398 4.470 -0.005 0.000 0.227 440 S C 1.986 176.274 174.600 -0.521 0.000 1.026 440 S CA 0.612 58.244 58.200 -0.947 0.000 0.981 440 S CB -0.317 62.522 63.200 -0.602 0.000 0.818 440 S HN 0.361 nan 8.310 nan 0.000 0.472 441 R N 2.055 122.241 120.500 -0.523 0.000 2.073 441 R HA 0.159 4.497 4.340 -0.005 0.000 0.229 441 R C 1.854 178.001 176.300 -0.256 0.000 1.120 441 R CA 1.135 56.890 56.100 -0.575 0.000 0.967 441 R CB -1.337 28.554 30.300 -0.681 0.000 0.862 441 R HN 0.488 nan 8.270 nan 0.000 0.436 442 N N 1.256 119.828 118.700 -0.213 0.000 2.309 442 N HA -0.076 4.661 4.740 -0.005 0.000 0.182 442 N C 1.623 177.094 175.510 -0.065 0.000 1.018 442 N CA 1.202 54.186 53.050 -0.111 0.000 0.876 442 N CB -0.241 38.197 38.487 -0.081 0.000 0.972 442 N HN 0.190 nan 8.380 nan 0.000 0.434 443 A N 0.657 123.414 122.820 -0.105 0.000 1.978 443 A HA -0.120 4.197 4.320 -0.005 0.000 0.220 443 A C 2.000 179.592 177.584 0.014 0.000 1.170 443 A CA 1.853 53.867 52.037 -0.037 0.000 0.636 443 A CB -0.484 18.443 19.000 -0.122 0.000 0.810 443 A HN 0.226 nan 8.150 nan 0.000 0.448 444 V N -1.845 118.086 119.914 0.027 0.000 3.444 444 V HA 0.344 4.462 4.120 -0.005 0.000 0.308 444 V C 0.692 176.831 176.094 0.076 0.000 1.371 444 V CA 0.051 62.396 62.300 0.075 0.000 1.141 444 V CB -1.175 30.721 31.823 0.122 0.000 1.037 444 V HN 0.449 nan 8.190 nan 0.000 0.433 445 V N -2.250 117.690 119.914 0.043 0.000 3.036 445 V HA 0.517 4.634 4.120 -0.005 0.000 0.308 445 V C 0.165 176.282 176.094 0.039 0.000 1.070 445 V CA -0.641 61.682 62.300 0.039 0.000 1.056 445 V CB 0.886 32.714 31.823 0.009 0.000 1.084 445 V HN 0.250 nan 8.190 nan 0.000 0.471 446 D N 1.595 122.021 120.400 0.043 0.000 2.525 446 D HA 0.330 4.967 4.640 -0.005 0.000 0.235 446 D C 1.300 177.615 176.300 0.025 0.000 1.137 446 D CA 2.063 56.088 54.000 0.042 0.000 0.868 446 D CB 0.873 41.699 40.800 0.043 0.000 1.180 446 D HN 1.428 nan 8.370 nan 0.000 0.465 447 G N 1.772 110.584 108.800 0.021 0.000 2.179 447 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.260 447 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.260 447 G C 0.750 175.661 174.900 0.019 0.000 0.977 447 G CA 0.234 45.345 45.100 0.017 0.000 0.641 447 G HN 0.812 nan 8.290 nan 0.000 0.533 448 G N -0.046 108.766 108.800 0.021 0.000 2.572 448 G HA2 0.575 4.533 3.960 -0.005 0.000 0.261 448 G HA3 0.575 4.533 3.960 -0.005 0.000 0.261 448 G C 1.324 176.248 174.900 0.040 0.000 1.197 448 G CA 0.841 45.957 45.100 0.026 0.000 0.870 448 G HN 1.292 nan 8.290 nan 0.000 0.548 449 S N 0.088 115.823 115.700 0.059 0.000 2.374 449 S HA -0.173 4.294 4.470 -0.005 0.000 0.227 449 S C 2.293 176.947 174.600 0.090 0.000 1.037 449 S CA 1.946 60.194 58.200 0.080 0.000 1.024 449 S CB -0.446 62.820 63.200 0.109 0.000 0.861 449 S HN 0.380 nan 8.310 nan 0.000 0.456 450 S N 1.632 117.390 115.700 0.096 0.000 2.406 450 S HA 0.229 4.696 4.470 -0.005 0.000 0.228 450 S C 1.778 176.411 174.600 0.056 0.000 1.020 450 S CA 1.001 59.264 58.200 0.105 0.000 0.965 450 S CB -0.446 62.827 63.200 0.121 0.000 0.798 450 S HN 0.457 nan 8.310 nan 0.000 0.488 451 L N 0.739 121.968 121.223 0.009 0.000 2.156 451 L HA 0.035 4.372 4.340 -0.005 0.000 0.208 451 L C 2.060 178.879 176.870 -0.085 0.000 1.095 451 L CA 0.937 55.721 54.840 -0.094 0.000 0.770 451 L CB -0.500 41.504 42.059 -0.091 0.000 0.914 451 L HN 0.315 nan 8.230 nan 0.000 0.439 452 I N -0.827 119.736 120.570 -0.011 0.000 2.315 452 I HA -0.276 3.891 4.170 -0.005 0.000 0.248 452 I C 2.816 178.958 176.117 0.043 0.000 1.117 452 I CA 1.148 62.454 61.300 0.011 0.000 1.404 452 I CB -0.153 37.866 38.000 0.033 0.000 1.071 452 I HN 0.206 nan 8.210 nan 0.000 0.419 453 S N 0.235 115.981 115.700 0.078 0.000 2.368 453 S HA -0.158 4.309 4.470 -0.005 0.000 0.224 453 S C 2.117 176.802 174.600 0.142 0.000 1.029 453 S CA 1.407 59.700 58.200 0.155 0.000 0.988 453 S CB -0.279 63.035 63.200 0.190 0.000 0.838 453 S HN 0.315 nan 8.310 nan 0.000 0.462 454 V N 1.509 121.459 119.914 0.060 0.000 2.515 454 V HA 0.022 4.139 4.120 -0.005 0.000 0.250 454 V C 2.316 178.385 176.094 -0.040 0.000 1.058 454 V CA 2.185 64.494 62.300 0.015 0.000 1.064 454 V CB -1.160 30.642 31.823 -0.035 0.000 0.675 454 V HN 0.607 nan 8.190 nan 0.000 0.461 455 G N -0.453 108.310 108.800 -0.061 0.000 2.418 455 G HA2 -0.227 3.730 3.960 -0.005 0.000 0.217 455 G HA3 -0.227 3.730 3.960 -0.005 0.000 0.217 455 G C 1.630 176.535 174.900 0.009 0.000 1.158 455 G CA 0.846 45.923 45.100 -0.040 0.000 0.771 455 G HN 0.522 nan 8.290 nan 0.000 0.545 456 K N -0.386 120.048 120.400 0.056 0.000 2.097 456 K HA 0.046 4.363 4.320 -0.005 0.000 0.205 456 K C 2.351 179.012 176.600 0.102 0.000 1.050 456 K CA 0.680 57.032 56.287 0.107 0.000 0.938 456 K CB -0.251 32.352 32.500 0.172 0.000 0.718 456 K HN 0.276 nan 8.250 nan 0.000 0.442 457 L N 1.779 123.008 121.223 0.011 0.000 2.017 457 L HA -0.110 4.228 4.340 -0.005 0.000 0.208 457 L C 1.944 178.698 176.870 -0.194 0.000 1.073 457 L CA 1.496 56.156 54.840 -0.300 0.000 0.745 457 L CB -0.301 41.464 42.059 -0.491 0.000 0.894 457 L HN 0.092 nan 8.230 nan 0.000 0.432 458 I N -0.318 120.184 120.570 -0.113 0.000 2.286 458 I HA -0.265 3.902 4.170 -0.005 0.000 0.248 458 I C 2.175 178.268 176.117 -0.040 0.000 1.115 458 I CA 1.558 62.804 61.300 -0.090 0.000 1.392 458 I CB -0.463 37.502 38.000 -0.058 0.000 1.065 458 I HN 0.364 nan 8.210 nan 0.000 0.418 459 D N 0.920 121.317 120.400 -0.005 0.000 2.117 459 D HA -0.263 4.374 4.640 -0.005 0.000 0.197 459 D C 1.944 178.271 176.300 0.044 0.000 0.987 459 D CA 1.397 55.411 54.000 0.024 0.000 0.829 459 D CB -0.151 40.673 40.800 0.040 0.000 0.961 459 D HN 0.263 nan 8.370 nan 0.000 0.460 460 D N -0.262 120.174 120.400 0.061 0.000 2.144 460 D HA -0.128 4.509 4.640 -0.005 0.000 0.200 460 D C 2.334 178.706 176.300 0.120 0.000 0.978 460 D CA 0.639 54.709 54.000 0.116 0.000 0.833 460 D CB -0.041 40.879 40.800 0.199 0.000 0.961 460 D HN 0.329 nan 8.370 nan 0.000 0.470 461 I N 0.731 121.326 120.570 0.042 0.000 2.202 461 I HA -0.232 3.935 4.170 -0.005 0.000 0.242 461 I C 2.472 178.628 176.117 0.064 0.000 1.091 461 I CA 1.674 63.002 61.300 0.045 0.000 1.368 461 I CB -0.336 37.569 38.000 -0.158 0.000 1.058 461 I HN 0.131 nan 8.210 nan 0.000 0.410 462 T N -1.706 112.865 114.554 0.029 0.000 3.100 462 T HA 0.187 4.534 4.350 -0.005 0.000 0.253 462 T C 1.040 175.765 174.700 0.042 0.000 1.118 462 T CA 0.126 62.246 62.100 0.033 0.000 1.058 462 T CB -0.556 68.321 68.868 0.015 0.000 0.953 462 T HN 0.278 nan 8.240 nan 0.000 0.515 463 G N 0.000 108.831 108.800 0.051 0.000 5.446 463 G HA2 0.000 3.957 3.960 -0.005 0.000 0.244 463 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 463 G CA 0.000 45.129 45.100 0.049 0.000 0.502 463 G HN 0.000 nan 8.290 nan 0.000 0.925