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 2ael_1_A DATA FIRST_RESID 3 DATA SEQUENCE NFPTEYFLNT TVRLLEYIRY RDSNYTREER IENLHYAYNK AAHHFAQPRQ DATA SEQUENCE QQLLKVDPKR LQASLQTIVG MVVYSWAKVS KECMADLSIH YTYTLVLDDS DATA SEQUENCE KDDPYPTMVN YFDDLQAGRE QAHPWWALVN EHFPNVLRHF GPFCSLNLIR DATA SEQUENCE STLDFFEGCW IEQYNFGGFP GSHDYPQFLR RMNGLGHCVG ASLWPKEQFN DATA SEQUENCE ERSLFLEITS AIAQMENWMV WVNDLMSFYK EFDDERDQIS LVKNYVVSDE DATA SEQUENCE ISLHEALEKL TQDTLHSSKQ MVAVFSDKDP QVMDTIECFM HGYVTWHLCD DATA SEQUENCE RKYRLSEIYE KVKEEKTEDA QKFCKFYEQA ANVGAVSPSE WAYPPVAQLA DATA SEQUENCE NV 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 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.609 175.510 0.165 0.000 1.280 3 N CA 0.000 53.188 53.050 0.230 0.000 0.885 3 N CB 0.000 38.559 38.487 0.120 0.000 1.341 4 F N 2.714 122.520 119.950 -0.240 0.000 2.456 4 F HA 0.391 4.918 4.527 0.001 0.000 0.358 4 F C -1.498 174.147 175.800 -0.258 0.000 1.095 4 F CA -1.461 56.142 58.000 -0.662 0.000 1.216 4 F CB 0.702 39.319 39.000 -0.638 0.000 1.125 4 F HN 0.277 nan 8.300 nan 0.000 0.549 5 P HA 0.082 nan 4.420 nan 0.000 0.244 5 P C 0.535 177.542 177.300 -0.488 0.000 1.723 5 P CA 0.336 63.169 63.100 -0.445 0.000 1.110 5 P CB -0.142 31.446 31.700 -0.186 0.000 1.972 6 T N 0.404 114.815 114.554 -0.239 0.000 2.746 6 T HA -0.210 4.140 4.350 0.001 0.000 0.267 6 T C 1.635 176.340 174.700 0.009 0.000 1.039 6 T CA 1.776 63.856 62.100 -0.032 0.000 1.142 6 T CB -0.206 68.687 68.868 0.041 0.000 0.866 6 T HN 0.524 nan 8.240 nan 0.000 0.444 7 E N 0.293 120.499 120.200 0.011 0.000 2.072 7 E HA -0.168 4.183 4.350 0.001 0.000 0.190 7 E C 2.160 178.816 176.600 0.093 0.000 0.982 7 E CA 0.801 57.224 56.400 0.038 0.000 0.803 7 E CB -0.628 29.090 29.700 0.030 0.000 0.755 7 E HN 0.473 nan 8.360 nan 0.000 0.453 8 Y N 1.035 121.304 120.300 -0.052 0.000 2.181 8 Y HA -0.191 4.360 4.550 0.001 0.000 0.288 8 Y C 1.888 177.754 175.900 -0.058 0.000 1.146 8 Y CA 1.185 59.255 58.100 -0.049 0.000 1.164 8 Y CB -0.703 37.735 38.460 -0.036 0.000 0.982 8 Y HN 0.175 nan 8.280 nan 0.000 0.515 9 F N 0.049 119.834 119.950 -0.275 0.000 2.102 9 F HA -0.232 4.295 4.527 0.001 0.000 0.298 9 F C 2.086 177.748 175.800 -0.229 0.000 1.105 9 F CA 1.779 59.578 58.000 -0.334 0.000 1.239 9 F CB -0.661 38.207 39.000 -0.219 0.000 0.991 9 F HN 0.047 nan 8.300 nan 0.000 0.474 10 L N 0.257 121.414 121.223 -0.110 0.000 1.989 10 L HA -0.310 4.031 4.340 0.001 0.000 0.211 10 L C 2.357 179.142 176.870 -0.141 0.000 1.071 10 L CA 2.003 56.733 54.840 -0.183 0.000 0.749 10 L CB -1.088 40.919 42.059 -0.088 0.000 0.890 10 L HN 0.267 nan 8.230 nan 0.000 0.431 11 N N -0.487 118.174 118.700 -0.063 0.000 2.061 11 N HA -0.202 4.538 4.740 0.001 0.000 0.193 11 N C 1.661 177.114 175.510 -0.095 0.000 1.030 11 N CA 2.339 55.381 53.050 -0.014 0.000 0.856 11 N CB -0.194 38.333 38.487 0.067 0.000 1.023 11 N HN 0.171 nan 8.380 nan 0.000 0.424 12 T N -1.028 113.388 114.554 -0.230 0.000 2.746 12 T HA -0.100 4.250 4.350 0.001 0.000 0.267 12 T C 1.698 176.185 174.700 -0.356 0.000 1.039 12 T CA 1.850 63.755 62.100 -0.325 0.000 1.142 12 T CB -0.716 67.844 68.868 -0.513 0.000 0.866 12 T HN 0.379 nan 8.240 nan 0.000 0.444 13 T N 1.770 116.058 114.554 -0.444 0.000 2.777 13 T HA -0.043 4.308 4.350 0.001 0.000 0.266 13 T C 2.203 176.808 174.700 -0.158 0.000 1.040 13 T CA 0.805 62.687 62.100 -0.364 0.000 1.141 13 T CB -0.472 68.143 68.868 -0.422 0.000 0.868 13 T HN 0.175 nan 8.240 nan 0.000 0.444 14 V N 1.359 121.265 119.914 -0.014 0.000 2.427 14 V HA -0.137 3.983 4.120 0.001 0.000 0.248 14 V C 2.618 178.775 176.094 0.105 0.000 1.051 14 V CA 1.524 63.921 62.300 0.163 0.000 1.048 14 V CB -0.580 31.411 31.823 0.281 0.000 0.666 14 V HN 0.335 nan 8.190 nan 0.000 0.456 15 R N -0.383 120.120 120.500 0.004 0.000 2.073 15 R HA -0.165 4.176 4.340 0.001 0.000 0.234 15 R C 2.269 178.449 176.300 -0.200 0.000 1.134 15 R CA 1.694 57.771 56.100 -0.040 0.000 0.952 15 R CB -0.645 29.545 30.300 -0.184 0.000 0.850 15 R HN 0.420 nan 8.270 nan 0.000 0.433 16 L N 0.985 122.048 121.223 -0.268 0.000 2.012 16 L HA -0.174 4.166 4.340 0.001 0.000 0.210 16 L C 1.832 178.687 176.870 -0.025 0.000 1.073 16 L CA 1.778 56.498 54.840 -0.201 0.000 0.748 16 L CB -0.332 41.607 42.059 -0.200 0.000 0.891 16 L HN 0.178 nan 8.230 nan 0.000 0.431 17 L N -0.927 120.207 121.223 -0.148 0.000 2.156 17 L HA -0.139 4.201 4.340 0.001 0.000 0.208 17 L C 2.515 179.405 176.870 0.034 0.000 1.095 17 L CA 1.156 55.836 54.840 -0.267 0.000 0.770 17 L CB -0.527 40.868 42.059 -1.107 0.000 0.914 17 L HN 0.388 nan 8.230 nan 0.000 0.439 18 E N -0.620 119.711 120.200 0.218 0.000 2.047 18 E HA -0.216 4.134 4.350 0.001 0.000 0.191 18 E C 2.149 178.979 176.600 0.383 0.000 0.987 18 E CA 1.206 57.831 56.400 0.375 0.000 0.799 18 E CB -0.159 29.782 29.700 0.403 0.000 0.752 18 E HN 0.353 nan 8.360 nan 0.000 0.449 19 Y N 1.171 121.560 120.300 0.148 0.000 2.081 19 Y HA -0.206 4.344 4.550 0.001 0.000 0.280 19 Y C 2.376 178.380 175.900 0.173 0.000 1.163 19 Y CA 1.297 59.489 58.100 0.153 0.000 1.135 19 Y CB -0.727 37.829 38.460 0.161 0.000 0.970 19 Y HN 0.149 nan 8.280 nan 0.000 0.498 20 I N -1.768 119.034 120.570 0.388 0.000 3.444 20 I HA 0.043 4.214 4.170 0.001 0.000 0.287 20 I C 0.267 176.624 176.117 0.400 0.000 1.302 20 I CA 0.498 61.995 61.300 0.329 0.000 1.368 20 I CB -0.467 37.748 38.000 0.358 0.000 1.048 20 I HN 0.109 nan 8.210 nan 0.000 0.487 21 R N -0.383 120.317 120.500 0.334 0.000 3.418 21 R HA -0.247 4.094 4.340 0.001 0.000 0.274 21 R C -0.474 175.937 176.300 0.185 0.000 1.108 21 R CA 0.302 56.570 56.100 0.280 0.000 0.741 21 R CB -2.960 27.490 30.300 0.250 0.000 1.223 21 R HN 0.538 nan 8.270 nan 0.000 0.434 22 Y N 2.806 123.083 120.300 -0.038 0.000 2.804 22 Y HA -0.089 4.462 4.550 0.001 0.000 0.338 22 Y C 0.995 176.770 175.900 -0.209 0.000 1.252 22 Y CA 0.941 58.801 58.100 -0.400 0.000 1.576 22 Y CB 0.225 38.478 38.460 -0.345 0.000 1.223 22 Y HN 0.311 nan 8.280 nan 0.000 0.536 23 R N 3.274 123.234 120.500 -0.900 0.000 2.747 23 R HA 0.424 4.764 4.340 0.001 0.000 0.272 23 R C -1.455 174.561 176.300 -0.474 0.000 1.032 23 R CA -1.128 54.690 56.100 -0.469 0.000 0.896 23 R CB 0.866 31.062 30.300 -0.173 0.000 1.253 23 R HN 0.385 nan 8.270 nan 0.000 0.461 24 D N 1.355 121.608 120.400 -0.245 0.000 2.423 24 D HA 0.124 4.765 4.640 0.001 0.000 0.238 24 D C -0.084 176.160 176.300 -0.093 0.000 1.142 24 D CA 0.528 54.431 54.000 -0.161 0.000 0.884 24 D CB 1.233 41.980 40.800 -0.089 0.000 1.199 24 D HN 0.570 nan 8.370 nan 0.000 0.438 25 S N 0.761 116.431 115.700 -0.050 0.000 2.715 25 S HA 0.314 4.785 4.470 0.001 0.000 0.307 25 S C 0.444 175.062 174.600 0.030 0.000 1.119 25 S CA -0.929 57.279 58.200 0.013 0.000 0.937 25 S CB 1.379 64.616 63.200 0.061 0.000 1.150 25 S HN 0.278 nan 8.310 nan 0.000 0.521 26 N N 0.166 118.893 118.700 0.046 0.000 2.362 26 N HA 0.083 4.824 4.740 0.001 0.000 0.204 26 N C -1.114 174.462 175.510 0.110 0.000 1.166 26 N CA 0.188 53.267 53.050 0.049 0.000 0.831 26 N CB -0.282 38.221 38.487 0.027 0.000 1.008 26 N HN 0.619 nan 8.380 nan 0.000 0.472 27 Y N 2.788 123.058 120.300 -0.050 0.000 2.535 27 Y HA 0.126 4.676 4.550 0.001 0.000 0.349 27 Y C 0.862 176.713 175.900 -0.080 0.000 0.992 27 Y CA -1.391 56.670 58.100 -0.065 0.000 1.248 27 Y CB -0.466 37.945 38.460 -0.082 0.000 1.124 27 Y HN -0.057 nan 8.280 nan 0.000 0.520 28 T N 1.509 116.067 114.554 0.008 0.000 2.754 28 T HA 0.229 4.580 4.350 0.001 0.000 0.286 28 T C 1.367 175.930 174.700 -0.228 0.000 0.997 28 T CA -0.462 61.580 62.100 -0.097 0.000 0.982 28 T CB 1.130 69.977 68.868 -0.034 0.000 1.027 28 T HN 0.726 nan 8.240 nan 0.000 0.529 29 R N -0.108 120.299 120.500 -0.155 0.000 2.090 29 R HA -0.028 4.313 4.340 0.001 0.000 0.228 29 R C 2.254 178.489 176.300 -0.110 0.000 1.110 29 R CA 1.202 57.211 56.100 -0.152 0.000 0.973 29 R CB -0.232 30.020 30.300 -0.079 0.000 0.869 29 R HN 0.767 nan 8.270 nan 0.000 0.440 30 E N 0.352 120.514 120.200 -0.063 0.000 2.106 30 E HA -0.171 4.180 4.350 0.001 0.000 0.192 30 E C 1.673 178.260 176.600 -0.021 0.000 0.984 30 E CA 1.471 57.859 56.400 -0.021 0.000 0.806 30 E CB 0.045 29.745 29.700 -0.000 0.000 0.750 30 E HN 0.433 nan 8.360 nan 0.000 0.458 31 E N 0.185 120.357 120.200 -0.046 0.000 2.072 31 E HA -0.115 4.236 4.350 0.001 0.000 0.190 31 E C 2.160 178.718 176.600 -0.070 0.000 0.982 31 E CA 0.579 56.978 56.400 -0.001 0.000 0.803 31 E CB -0.048 29.708 29.700 0.092 0.000 0.755 31 E HN 0.047 nan 8.360 nan 0.000 0.453 32 R N 0.816 121.137 120.500 -0.300 0.000 2.094 32 R HA -0.139 4.202 4.340 0.001 0.000 0.239 32 R C 2.306 178.527 176.300 -0.132 0.000 1.137 32 R CA 1.422 57.296 56.100 -0.377 0.000 0.943 32 R CB -0.268 29.729 30.300 -0.505 0.000 0.850 32 R HN 0.159 nan 8.270 nan 0.000 0.433 33 I N 0.403 120.928 120.570 -0.075 0.000 2.286 33 I HA -0.273 3.897 4.170 0.001 0.000 0.248 33 I C 1.971 178.153 176.117 0.109 0.000 1.115 33 I CA 1.397 62.709 61.300 0.020 0.000 1.392 33 I CB -0.282 37.763 38.000 0.076 0.000 1.065 33 I HN 0.327 nan 8.210 nan 0.000 0.418 34 E N 0.694 120.952 120.200 0.097 0.000 2.047 34 E HA -0.194 4.157 4.350 0.001 0.000 0.191 34 E C 1.903 178.621 176.600 0.196 0.000 0.987 34 E CA 1.135 57.629 56.400 0.156 0.000 0.799 34 E CB -0.081 29.682 29.700 0.106 0.000 0.752 34 E HN 0.487 nan 8.360 nan 0.000 0.449 35 N N 0.932 119.714 118.700 0.138 0.000 2.080 35 N HA -0.118 4.623 4.740 0.001 0.000 0.189 35 N C 2.063 177.665 175.510 0.152 0.000 1.036 35 N CA 0.788 53.935 53.050 0.161 0.000 0.846 35 N CB -0.442 38.148 38.487 0.171 0.000 1.015 35 N HN 0.102 nan 8.380 nan 0.000 0.423 36 L N 0.269 121.503 121.223 0.018 0.000 1.971 36 L HA -0.264 4.076 4.340 0.001 0.000 0.215 36 L C 2.468 179.450 176.870 0.187 0.000 1.072 36 L CA 1.715 56.454 54.840 -0.168 0.000 0.758 36 L CB -0.645 40.939 42.059 -0.793 0.000 0.889 36 L HN 0.288 nan 8.230 nan 0.000 0.433 37 H N -1.305 117.904 119.070 0.232 0.000 2.321 37 H HA -0.271 4.285 4.556 0.001 0.000 0.300 37 H C 2.102 177.580 175.328 0.250 0.000 1.087 37 H CA 2.064 58.288 56.048 0.294 0.000 1.319 37 H CB -0.299 29.592 29.762 0.215 0.000 1.379 37 H HN 0.322 nan 8.280 nan 0.000 0.501 38 Y N 0.455 120.798 120.300 0.072 0.000 2.097 38 Y HA -0.250 4.300 4.550 0.001 0.000 0.282 38 Y C 2.652 178.541 175.900 -0.018 0.000 1.152 38 Y CA 2.110 60.209 58.100 -0.003 0.000 1.136 38 Y CB -0.905 37.589 38.460 0.057 0.000 0.975 38 Y HN 0.332 nan 8.280 nan 0.000 0.498 39 A N -0.750 122.152 122.820 0.137 0.000 1.902 39 A HA -0.250 4.070 4.320 0.001 0.000 0.217 39 A C 2.167 179.757 177.584 0.011 0.000 1.181 39 A CA 1.724 53.800 52.037 0.065 0.000 0.623 39 A CB -1.607 17.466 19.000 0.123 0.000 0.818 39 A HN 0.730 nan 8.150 nan 0.000 0.443 40 Y N 1.180 121.487 120.300 0.012 0.000 2.145 40 Y HA -0.264 4.286 4.550 0.001 0.000 0.286 40 Y C 2.258 178.104 175.900 -0.090 0.000 1.145 40 Y CA 2.197 60.326 58.100 0.048 0.000 1.148 40 Y CB -0.519 38.074 38.460 0.221 0.000 0.981 40 Y HN 0.454 nan 8.280 nan 0.000 0.507 41 N N 0.446 119.010 118.700 -0.228 0.000 2.069 41 N HA -0.255 4.485 4.740 0.001 0.000 0.191 41 N C 1.978 177.393 175.510 -0.158 0.000 1.031 41 N CA 2.027 54.920 53.050 -0.262 0.000 0.852 41 N CB -0.375 37.874 38.487 -0.397 0.000 1.018 41 N HN 0.417 nan 8.380 nan 0.000 0.423 42 K N -0.503 119.721 120.400 -0.294 0.000 2.057 42 K HA -0.019 4.302 4.320 0.001 0.000 0.206 42 K C 1.868 178.379 176.600 -0.148 0.000 1.050 42 K CA 1.106 57.252 56.287 -0.235 0.000 0.935 42 K CB -0.231 32.077 32.500 -0.321 0.000 0.715 42 K HN 0.267 nan 8.250 nan 0.000 0.439 43 A N 1.187 123.893 122.820 -0.189 0.000 1.873 43 A HA -0.078 4.243 4.320 0.001 0.000 0.215 43 A C 2.339 179.857 177.584 -0.111 0.000 1.186 43 A CA 1.779 53.725 52.037 -0.151 0.000 0.616 43 A CB -0.835 18.125 19.000 -0.068 0.000 0.823 43 A HN 0.453 nan 8.150 nan 0.000 0.442 44 A N -0.749 121.873 122.820 -0.329 0.000 1.908 44 A HA -0.227 4.093 4.320 0.001 0.000 0.218 44 A C 1.950 179.399 177.584 -0.225 0.000 1.181 44 A CA 2.106 53.917 52.037 -0.376 0.000 0.627 44 A CB -0.941 17.607 19.000 -0.752 0.000 0.818 44 A HN 0.690 nan 8.150 nan 0.000 0.445 45 H N -2.238 116.725 119.070 -0.177 0.000 2.457 45 H HA -0.088 4.469 4.556 0.000 0.000 0.294 45 H C 2.013 177.272 175.328 -0.114 0.000 1.064 45 H CA 1.490 57.468 56.048 -0.118 0.000 1.330 45 H CB -0.136 29.560 29.762 -0.110 0.000 1.395 45 H HN 0.733 nan 8.280 nan 0.000 0.541 46 H N -0.253 118.724 119.070 -0.155 0.000 2.307 46 H HA -0.116 4.440 4.556 0.001 0.000 0.303 46 H C 1.163 176.279 175.328 -0.355 0.000 1.073 46 H CA 1.348 57.208 56.048 -0.312 0.000 1.338 46 H CB -0.192 29.235 29.762 -0.558 0.000 1.389 46 H HN 0.306 nan 8.280 nan 0.000 0.503 47 F N 0.747 120.591 119.950 -0.177 0.000 2.699 47 F HA 0.074 4.601 4.527 0.001 0.000 0.298 47 F C 2.497 178.186 175.800 -0.185 0.000 1.154 47 F CA 0.767 58.635 58.000 -0.220 0.000 1.457 47 F CB -0.217 38.675 39.000 -0.180 0.000 1.106 47 F HN 0.231 nan 8.300 nan 0.000 0.585 48 A N -0.910 121.883 122.820 -0.044 0.000 2.275 48 A HA 0.093 4.413 4.320 0.001 0.000 0.212 48 A C 0.937 178.479 177.584 -0.071 0.000 1.201 48 A CA -0.235 51.765 52.037 -0.061 0.000 0.843 48 A CB -0.443 18.490 19.000 -0.111 0.000 0.873 48 A HN 0.276 nan 8.150 nan 0.000 0.492 49 Q N 0.775 120.507 119.800 -0.114 0.000 2.332 49 Q HA 0.138 4.478 4.340 0.001 0.000 0.263 49 Q C -1.444 174.513 176.000 -0.072 0.000 0.979 49 Q CA -1.847 53.897 55.803 -0.098 0.000 0.885 49 Q CB 0.830 29.479 28.738 -0.149 0.000 1.218 49 Q HN 0.204 nan 8.270 nan 0.000 0.405 50 P HA -0.324 nan 4.420 nan 0.000 0.217 50 P C 0.974 178.259 177.300 -0.025 0.000 1.158 50 P CA 1.582 64.666 63.100 -0.027 0.000 0.887 50 P CB 0.152 31.841 31.700 -0.019 0.000 0.792 51 R N -0.053 120.426 120.500 -0.035 0.000 2.083 51 R HA -0.175 4.166 4.340 0.001 0.000 0.237 51 R C 2.578 178.869 176.300 -0.015 0.000 1.137 51 R CA 1.776 57.861 56.100 -0.024 0.000 0.951 51 R CB -0.435 29.847 30.300 -0.030 0.000 0.851 51 R HN 0.154 nan 8.270 nan 0.000 0.434 52 Q N 0.057 119.826 119.800 -0.051 0.000 2.119 52 Q HA -0.159 4.182 4.340 0.001 0.000 0.201 52 Q C 2.023 178.056 176.000 0.055 0.000 0.972 52 Q CA 1.053 56.853 55.803 -0.003 0.000 0.847 52 Q CB -0.183 28.476 28.738 -0.131 0.000 0.903 52 Q HN 0.472 nan 8.270 nan 0.000 0.433 53 Q N 0.722 120.533 119.800 0.019 0.000 2.224 53 Q HA -0.161 4.179 4.340 0.001 0.000 0.203 53 Q C 2.036 178.053 176.000 0.028 0.000 0.970 53 Q CA 1.540 57.358 55.803 0.025 0.000 0.865 53 Q CB 0.060 28.799 28.738 0.002 0.000 0.922 53 Q HN 0.720 nan 8.270 nan 0.000 0.445 54 Q N -1.002 118.812 119.800 0.025 0.000 2.373 54 Q HA 0.059 4.399 4.340 0.001 0.000 0.210 54 Q C 1.799 177.823 176.000 0.039 0.000 0.913 54 Q CA 0.291 56.109 55.803 0.025 0.000 0.911 54 Q CB 0.084 28.830 28.738 0.014 0.000 1.040 54 Q HN 0.250 nan 8.270 nan 0.000 0.521 55 L N 0.228 121.484 121.223 0.055 0.000 2.307 55 L HA 0.194 4.535 4.340 0.001 0.000 0.211 55 L C 0.697 177.633 176.870 0.111 0.000 1.099 55 L CA -0.040 54.843 54.840 0.073 0.000 0.816 55 L CB 0.166 42.269 42.059 0.073 0.000 0.952 55 L HN 0.222 nan 8.230 nan 0.000 0.455 56 L N 2.141 123.444 121.223 0.134 0.000 2.328 56 L HA 0.202 4.542 4.340 0.001 0.000 0.280 56 L C 0.045 176.983 176.870 0.113 0.000 1.111 56 L CA -0.134 54.813 54.840 0.178 0.000 0.909 56 L CB -0.036 42.170 42.059 0.245 0.000 1.277 56 L HN -0.128 nan 8.230 nan 0.000 0.433 57 K N 4.563 125.019 120.400 0.094 0.000 2.278 57 K HA 0.378 4.698 4.320 0.001 0.000 0.289 57 K C -0.957 175.667 176.600 0.041 0.000 1.080 57 K CA -0.011 56.306 56.287 0.051 0.000 0.934 57 K CB 0.546 33.066 32.500 0.033 0.000 1.093 57 K HN 0.338 nan 8.250 nan 0.000 0.459 58 V N 1.266 121.193 119.914 0.021 0.000 2.932 58 V HA 0.070 4.190 4.120 0.001 0.000 0.307 58 V C -0.395 175.688 176.094 -0.019 0.000 1.147 58 V CA -1.379 60.919 62.300 -0.002 0.000 0.951 58 V CB 2.449 34.260 31.823 -0.020 0.000 1.031 58 V HN 0.607 nan 8.190 nan 0.000 0.426 59 D N 4.560 124.945 120.400 -0.025 0.000 2.458 59 D HA 0.196 4.837 4.640 0.001 0.000 0.243 59 D C -1.557 174.720 176.300 -0.038 0.000 1.146 59 D CA -0.819 53.164 54.000 -0.028 0.000 0.877 59 D CB 1.761 42.543 40.800 -0.029 0.000 1.176 59 D HN 0.224 nan 8.370 nan 0.000 0.461 60 P HA -0.198 nan 4.420 nan 0.000 0.215 60 P C 0.776 178.050 177.300 -0.044 0.000 1.157 60 P CA 1.731 64.807 63.100 -0.040 0.000 0.874 60 P CB 0.140 31.823 31.700 -0.029 0.000 0.790 61 K N -0.573 119.804 120.400 -0.038 0.000 2.097 61 K HA -0.096 4.224 4.320 0.001 0.000 0.206 61 K C 2.239 178.812 176.600 -0.045 0.000 1.049 61 K CA 1.193 57.457 56.287 -0.039 0.000 0.933 61 K CB -0.283 32.195 32.500 -0.036 0.000 0.717 61 K HN 0.128 nan 8.250 nan 0.000 0.442 62 R N 0.582 121.054 120.500 -0.048 0.000 2.090 62 R HA -0.072 4.269 4.340 0.001 0.000 0.228 62 R C 2.367 178.627 176.300 -0.068 0.000 1.110 62 R CA 0.734 56.803 56.100 -0.051 0.000 0.973 62 R CB -0.386 29.887 30.300 -0.045 0.000 0.869 62 R HN 0.091 nan 8.270 nan 0.000 0.440 63 L N 1.417 122.587 121.223 -0.089 0.000 2.046 63 L HA -0.209 4.131 4.340 0.001 0.000 0.208 63 L C 2.410 179.200 176.870 -0.133 0.000 1.077 63 L CA 1.849 56.598 54.840 -0.152 0.000 0.747 63 L CB -0.503 41.446 42.059 -0.183 0.000 0.896 63 L HN 0.045 nan 8.230 nan 0.000 0.432 64 Q N -0.230 119.525 119.800 -0.075 0.000 2.096 64 Q HA -0.157 4.184 4.340 0.001 0.000 0.204 64 Q C 2.121 178.114 176.000 -0.011 0.000 0.982 64 Q CA 2.287 58.075 55.803 -0.025 0.000 0.850 64 Q CB -0.459 28.268 28.738 -0.018 0.000 0.901 64 Q HN 0.609 nan 8.270 nan 0.000 0.422 65 A N -0.806 121.997 122.820 -0.029 0.000 1.929 65 A HA -0.097 4.223 4.320 0.001 0.000 0.216 65 A C 2.309 179.898 177.584 0.008 0.000 1.176 65 A CA 1.561 53.588 52.037 -0.016 0.000 0.628 65 A CB -0.650 18.330 19.000 -0.032 0.000 0.816 65 A HN 0.407 nan 8.150 nan 0.000 0.444 66 S N -0.424 115.265 115.700 -0.018 0.000 2.368 66 S HA -0.134 4.337 4.470 0.001 0.000 0.225 66 S C 1.870 176.478 174.600 0.014 0.000 1.030 66 S CA 1.436 59.631 58.200 -0.007 0.000 0.999 66 S CB -0.416 62.750 63.200 -0.056 0.000 0.844 66 S HN 0.483 nan 8.310 nan 0.000 0.459 67 L N 1.932 123.142 121.223 -0.022 0.000 2.046 67 L HA -0.125 4.215 4.340 0.001 0.000 0.208 67 L C 2.218 179.208 176.870 0.200 0.000 1.077 67 L CA 1.777 56.639 54.840 0.037 0.000 0.747 67 L CB -0.717 41.343 42.059 0.002 0.000 0.896 67 L HN 0.286 nan 8.230 nan 0.000 0.432 68 Q N -1.559 118.370 119.800 0.216 0.000 2.119 68 Q HA -0.169 4.172 4.340 0.001 0.000 0.201 68 Q C 2.014 178.229 176.000 0.357 0.000 0.972 68 Q CA 1.971 57.972 55.803 0.330 0.000 0.847 68 Q CB -0.237 28.565 28.738 0.106 0.000 0.903 68 Q HN 0.517 nan 8.270 nan 0.000 0.433 69 T N 1.099 115.801 114.554 0.246 0.000 2.777 69 T HA -0.081 4.269 4.350 0.001 0.000 0.266 69 T C 1.781 176.651 174.700 0.283 0.000 1.040 69 T CA 0.723 63.020 62.100 0.328 0.000 1.141 69 T CB 0.017 69.044 68.868 0.264 0.000 0.868 69 T HN 0.138 nan 8.240 nan 0.000 0.444 70 I N 0.920 121.576 120.570 0.143 0.000 2.202 70 I HA -0.073 4.097 4.170 0.001 0.000 0.242 70 I C 2.567 178.649 176.117 -0.057 0.000 1.091 70 I CA 0.957 62.261 61.300 0.006 0.000 1.368 70 I CB -1.304 36.723 38.000 0.045 0.000 1.058 70 I HN 0.100 nan 8.210 nan 0.000 0.410 71 V N 1.453 121.404 119.914 0.061 0.000 2.324 71 V HA -0.258 3.863 4.120 0.001 0.000 0.250 71 V C 2.679 178.694 176.094 -0.133 0.000 1.060 71 V CA 2.202 64.524 62.300 0.037 0.000 1.042 71 V CB -1.420 30.545 31.823 0.235 0.000 0.650 71 V HN 0.536 nan 8.190 nan 0.000 0.450 72 G N -1.200 107.501 108.800 -0.165 0.000 2.418 72 G HA2 -0.343 3.617 3.960 0.001 0.000 0.217 72 G HA3 -0.343 3.617 3.960 0.001 0.000 0.217 72 G C 1.629 176.147 174.900 -0.637 0.000 1.158 72 G CA 1.191 46.041 45.100 -0.417 0.000 0.771 72 G HN 0.465 nan 8.290 nan 0.000 0.545 73 M N 0.251 119.293 119.600 -0.931 0.000 2.086 73 M HA -0.064 4.416 4.480 0.001 0.000 0.261 73 M C 2.523 178.638 176.300 -0.308 0.000 1.067 73 M CA 1.434 55.940 55.300 -1.324 0.000 1.116 73 M CB -0.134 31.485 32.600 -1.634 0.000 1.348 73 M HN 0.109 nan 8.290 nan 0.000 0.407 74 V N -0.025 119.784 119.914 -0.175 0.000 2.237 74 V HA -0.248 3.873 4.120 0.001 0.000 0.245 74 V C 2.413 178.654 176.094 0.245 0.000 1.046 74 V CA 1.817 64.133 62.300 0.027 0.000 1.007 74 V CB -0.833 30.868 31.823 -0.205 0.000 0.638 74 V HN 0.410 nan 8.190 nan 0.000 0.445 75 V N -0.967 119.034 119.914 0.145 0.000 2.324 75 V HA -0.307 3.813 4.120 0.001 0.000 0.250 75 V C 2.276 178.664 176.094 0.489 0.000 1.060 75 V CA 2.188 64.652 62.300 0.274 0.000 1.042 75 V CB -0.832 31.103 31.823 0.186 0.000 0.650 75 V HN 0.553 nan 8.190 nan 0.000 0.450 76 Y N 0.063 120.449 120.300 0.142 0.000 2.516 76 Y HA -0.009 4.541 4.550 0.001 0.000 0.291 76 Y C 2.553 178.571 175.900 0.198 0.000 1.131 76 Y CA 0.861 59.082 58.100 0.203 0.000 1.281 76 Y CB -0.258 38.280 38.460 0.130 0.000 1.013 76 Y HN 0.267 nan 8.280 nan 0.000 0.554 77 S N -3.081 112.831 115.700 0.354 0.000 2.564 77 S HA 0.028 4.499 4.470 0.001 0.000 0.231 77 S C 0.717 175.407 174.600 0.150 0.000 1.067 77 S CA -0.322 57.957 58.200 0.132 0.000 0.908 77 S CB 0.114 63.245 63.200 -0.114 0.000 0.809 77 S HN 0.407 nan 8.310 nan 0.000 0.491 78 W N 2.733 124.101 121.300 0.114 0.000 2.708 78 W HA 0.468 5.128 4.660 0.001 0.000 0.440 78 W C 1.453 177.956 176.519 -0.026 0.000 0.688 78 W CA -0.497 56.877 57.345 0.048 0.000 2.213 78 W CB -0.406 29.084 29.460 0.050 0.000 1.209 78 W HN 0.353 nan 8.180 nan 0.000 0.783 79 A N 0.767 123.620 122.820 0.055 0.000 2.032 79 A HA -0.228 4.093 4.320 0.001 0.000 0.221 79 A C 2.058 179.502 177.584 -0.234 0.000 1.165 79 A CA 1.420 53.319 52.037 -0.231 0.000 0.645 79 A CB -0.053 18.657 19.000 -0.483 0.000 0.807 79 A HN 0.089 nan 8.150 nan 0.000 0.453 80 K N -0.168 120.171 120.400 -0.102 0.000 2.426 80 K HA 0.128 4.448 4.320 0.001 0.000 0.193 80 K C 0.855 177.456 176.600 0.001 0.000 1.028 80 K CA 0.654 56.905 56.287 -0.059 0.000 1.047 80 K CB -0.869 31.630 32.500 -0.001 0.000 0.821 80 K HN 0.546 nan 8.250 nan 0.000 0.513 81 V N -0.249 119.688 119.914 0.039 0.000 3.170 81 V HA 0.322 4.442 4.120 0.001 0.000 0.309 81 V C 0.781 176.863 176.094 -0.021 0.000 1.071 81 V CA -1.047 61.271 62.300 0.029 0.000 1.063 81 V CB 1.206 33.064 31.823 0.059 0.000 1.123 81 V HN 0.228 nan 8.190 nan 0.000 0.464 82 S N 1.231 116.895 115.700 -0.060 0.000 2.617 82 S HA 0.279 4.749 4.470 0.001 0.000 0.259 82 S C 0.790 175.341 174.600 -0.081 0.000 1.301 82 S CA 0.010 58.165 58.200 -0.075 0.000 0.984 82 S CB 0.455 63.612 63.200 -0.072 0.000 0.954 82 S HN 0.786 nan 8.310 nan 0.000 0.572 83 K N 0.381 120.704 120.400 -0.128 0.000 2.057 83 K HA -0.079 4.241 4.320 0.001 0.000 0.206 83 K C 2.204 178.836 176.600 0.055 0.000 1.050 83 K CA 1.318 57.518 56.287 -0.146 0.000 0.935 83 K CB -0.212 31.882 32.500 -0.678 0.000 0.715 83 K HN 0.566 nan 8.250 nan 0.000 0.439 84 E N 0.665 120.890 120.200 0.043 0.000 2.085 84 E HA -0.234 4.116 4.350 0.001 0.000 0.194 84 E C 2.171 178.761 176.600 -0.017 0.000 0.994 84 E CA 0.897 57.399 56.400 0.170 0.000 0.801 84 E CB -0.589 29.226 29.700 0.192 0.000 0.743 84 E HN 0.303 nan 8.360 nan 0.000 0.453 85 C N 0.653 119.775 119.300 -0.297 0.000 2.432 85 C HA -0.128 4.333 4.460 0.001 0.000 0.277 85 C C 2.826 177.668 174.990 -0.247 0.000 1.249 85 C CA 0.966 59.614 59.018 -0.616 0.000 1.725 85 C CB -0.991 26.402 27.740 -0.578 0.000 2.028 85 C HN 0.417 nan 8.230 nan 0.000 0.477 86 M N 1.036 120.572 119.600 -0.106 0.000 2.149 86 M HA -0.121 4.360 4.480 0.001 0.000 0.261 86 M C 2.454 178.739 176.300 -0.026 0.000 1.064 86 M CA 2.098 57.366 55.300 -0.053 0.000 1.102 86 M CB -0.612 32.016 32.600 0.047 0.000 1.369 86 M HN 0.542 nan 8.290 nan 0.000 0.408 87 A N 0.765 123.611 122.820 0.043 0.000 1.845 87 A HA -0.179 4.141 4.320 0.001 0.000 0.215 87 A C 1.792 179.373 177.584 -0.005 0.000 1.195 87 A CA 1.985 54.042 52.037 0.034 0.000 0.616 87 A CB -0.798 18.244 19.000 0.069 0.000 0.832 87 A HN 0.397 nan 8.150 nan 0.000 0.443 88 D N 0.061 120.477 120.400 0.027 0.000 2.182 88 D HA -0.111 4.529 4.640 0.001 0.000 0.201 88 D C 1.869 178.192 176.300 0.039 0.000 0.986 88 D CA 0.989 55.037 54.000 0.080 0.000 0.847 88 D CB -0.307 40.597 40.800 0.173 0.000 0.942 88 D HN 0.460 nan 8.370 nan 0.000 0.467 89 L N 0.358 121.546 121.223 -0.059 0.000 2.240 89 L HA -0.060 4.280 4.340 0.001 0.000 0.211 89 L C 2.421 179.247 176.870 -0.073 0.000 1.106 89 L CA 0.491 55.238 54.840 -0.155 0.000 0.793 89 L CB -0.130 41.765 42.059 -0.273 0.000 0.927 89 L HN -0.098 nan 8.230 nan 0.000 0.446 90 S N 0.106 115.783 115.700 -0.039 0.000 2.383 90 S HA -0.078 4.393 4.470 0.001 0.000 0.227 90 S C 1.957 176.570 174.600 0.022 0.000 1.026 90 S CA 1.047 59.254 58.200 0.012 0.000 0.981 90 S CB -0.117 63.089 63.200 0.011 0.000 0.818 90 S HN 0.282 nan 8.310 nan 0.000 0.472 91 I N 0.467 121.004 120.570 -0.056 0.000 2.202 91 I HA -0.205 3.965 4.170 0.001 0.000 0.242 91 I C 2.435 178.487 176.117 -0.107 0.000 1.091 91 I CA 1.561 62.746 61.300 -0.192 0.000 1.368 91 I CB -0.423 37.198 38.000 -0.632 0.000 1.058 91 I HN 0.320 nan 8.210 nan 0.000 0.410 92 H N 0.342 119.319 119.070 -0.154 0.000 2.321 92 H HA -0.222 4.334 4.556 0.001 0.000 0.300 92 H C 1.904 177.135 175.328 -0.161 0.000 1.087 92 H CA 2.089 58.031 56.048 -0.176 0.000 1.319 92 H CB -0.131 29.378 29.762 -0.421 0.000 1.379 92 H HN 0.243 nan 8.280 nan 0.000 0.501 93 Y N -0.590 119.733 120.300 0.038 0.000 2.509 93 Y HA -0.067 4.484 4.550 0.001 0.000 0.293 93 Y C 2.583 178.453 175.900 -0.050 0.000 1.133 93 Y CA 1.250 59.321 58.100 -0.048 0.000 1.283 93 Y CB -0.388 38.025 38.460 -0.078 0.000 1.001 93 Y HN 0.250 nan 8.280 nan 0.000 0.555 94 T N -1.394 113.210 114.554 0.084 0.000 2.937 94 T HA -0.121 4.229 4.350 0.001 0.000 0.260 94 T C 1.403 176.099 174.700 -0.006 0.000 1.051 94 T CA 0.946 63.035 62.100 -0.018 0.000 1.141 94 T CB -0.390 68.408 68.868 -0.116 0.000 0.879 94 T HN 0.197 nan 8.240 nan 0.000 0.459 95 Y N 2.383 122.724 120.300 0.069 0.000 2.145 95 Y HA -0.181 4.370 4.550 0.001 0.000 0.286 95 Y C 3.075 179.195 175.900 0.367 0.000 1.145 95 Y CA 1.416 59.601 58.100 0.142 0.000 1.148 95 Y CB -1.224 37.134 38.460 -0.169 0.000 0.981 95 Y HN 0.340 nan 8.280 nan 0.000 0.507 96 T N -1.566 113.181 114.554 0.321 0.000 2.708 96 T HA -0.223 4.127 4.350 0.001 0.000 0.266 96 T C 1.959 176.761 174.700 0.169 0.000 1.037 96 T CA 1.334 63.524 62.100 0.150 0.000 1.146 96 T CB -0.966 67.613 68.868 -0.482 0.000 0.865 96 T HN 0.209 nan 8.240 nan 0.000 0.435 97 L N 1.312 122.604 121.223 0.115 0.000 2.046 97 L HA 0.061 4.401 4.340 0.001 0.000 0.208 97 L C 2.601 179.550 176.870 0.131 0.000 1.077 97 L CA 1.277 56.199 54.840 0.137 0.000 0.747 97 L CB -0.812 41.303 42.059 0.094 0.000 0.896 97 L HN 0.173 nan 8.230 nan 0.000 0.432 98 V N -0.537 119.452 119.914 0.125 0.000 2.490 98 V HA -0.248 3.873 4.120 0.001 0.000 0.250 98 V C 2.467 178.615 176.094 0.089 0.000 1.061 98 V CA 1.458 63.815 62.300 0.095 0.000 1.064 98 V CB -0.540 31.337 31.823 0.090 0.000 0.670 98 V HN 0.482 nan 8.190 nan 0.000 0.461 99 L N 0.220 121.489 121.223 0.077 0.000 2.191 99 L HA -0.156 4.185 4.340 0.001 0.000 0.212 99 L C 1.862 178.633 176.870 -0.166 0.000 1.103 99 L CA 1.842 56.561 54.840 -0.202 0.000 0.769 99 L CB -0.755 40.913 42.059 -0.652 0.000 0.908 99 L HN 0.347 nan 8.230 nan 0.000 0.438 100 D N -0.626 119.744 120.400 -0.050 0.000 2.378 100 D HA -0.119 4.522 4.640 0.001 0.000 0.227 100 D C 0.983 177.250 176.300 -0.055 0.000 1.012 100 D CA 0.625 54.586 54.000 -0.064 0.000 0.905 100 D CB 0.138 40.944 40.800 0.010 0.000 0.895 100 D HN 0.451 nan 8.370 nan 0.000 0.532 101 D N -0.471 119.903 120.400 -0.043 0.000 2.346 101 D HA -0.014 4.627 4.640 0.001 0.000 0.206 101 D C 0.610 176.884 176.300 -0.044 0.000 1.001 101 D CA 0.292 54.272 54.000 -0.034 0.000 0.871 101 D CB 0.298 41.089 40.800 -0.016 0.000 0.943 101 D HN -0.113 nan 8.370 nan 0.000 0.518 102 S N -0.036 115.626 115.700 -0.064 0.000 2.565 102 S HA 0.176 4.647 4.470 0.001 0.000 0.274 102 S C 0.970 175.519 174.600 -0.086 0.000 1.309 102 S CA -0.285 57.877 58.200 -0.064 0.000 1.043 102 S CB 1.160 64.325 63.200 -0.059 0.000 0.939 102 S HN -0.050 nan 8.310 nan 0.000 0.504 103 K N 1.633 121.989 120.400 -0.073 0.000 2.365 103 K HA 0.103 4.424 4.320 0.001 0.000 0.195 103 K C -0.504 176.043 176.600 -0.089 0.000 1.079 103 K CA -0.102 56.137 56.287 -0.080 0.000 0.979 103 K CB 0.136 32.597 32.500 -0.066 0.000 0.929 103 K HN 0.645 nan 8.250 nan 0.000 0.523 104 D N 2.833 123.187 120.400 -0.078 0.000 2.586 104 D HA -0.122 4.518 4.640 0.001 0.000 0.234 104 D C -0.124 176.112 176.300 -0.106 0.000 1.132 104 D CA 0.773 54.725 54.000 -0.080 0.000 0.860 104 D CB 0.507 41.261 40.800 -0.076 0.000 1.159 104 D HN 0.123 nan 8.370 nan 0.000 0.490 105 D N 2.552 122.895 120.400 -0.094 0.000 2.417 105 D HA 0.047 4.687 4.640 0.001 0.000 0.250 105 D C -1.774 174.424 176.300 -0.170 0.000 1.166 105 D CA -1.451 52.483 54.000 -0.109 0.000 0.881 105 D CB 1.093 41.883 40.800 -0.017 0.000 1.164 105 D HN 0.036 nan 8.370 nan 0.000 0.467 106 P HA -0.055 nan 4.420 nan 0.000 0.229 106 P C 0.852 177.907 177.300 -0.407 0.000 1.160 106 P CA 0.359 63.148 63.100 -0.519 0.000 0.777 106 P CB -0.042 30.930 31.700 -1.213 0.000 0.814 107 Y N 2.400 122.490 120.300 -0.351 0.000 2.002 107 Y HA -0.250 4.300 4.550 0.001 0.000 0.268 107 Y C -0.740 175.205 175.900 0.075 0.000 1.177 107 Y CA 2.686 60.816 58.100 0.049 0.000 1.111 107 Y CB -2.003 36.593 38.460 0.227 0.000 0.952 107 Y HN 0.073 nan 8.280 nan 0.000 0.491 108 P HA -0.183 nan 4.420 nan 0.000 0.216 108 P C 1.461 178.832 177.300 0.118 0.000 1.153 108 P CA 2.970 66.210 63.100 0.234 0.000 0.858 108 P CB -0.497 31.304 31.700 0.169 0.000 0.789 109 T N -5.596 109.018 114.554 0.099 0.000 3.148 109 T HA 0.108 4.458 4.350 0.001 0.000 0.253 109 T C 1.316 176.128 174.700 0.187 0.000 1.134 109 T CA 0.535 62.719 62.100 0.140 0.000 1.051 109 T CB -0.533 68.436 68.868 0.168 0.000 0.959 109 T HN -0.097 nan 8.240 nan 0.000 0.525 110 M N 0.404 120.075 119.600 0.118 0.000 2.313 110 M HA 0.333 4.813 4.480 0.001 0.000 0.273 110 M C 1.803 178.179 176.300 0.128 0.000 1.049 110 M CA -0.021 55.376 55.300 0.161 0.000 1.004 110 M CB 0.170 32.863 32.600 0.154 0.000 1.461 110 M HN 0.148 nan 8.290 nan 0.000 0.514 111 V N 1.794 121.730 119.914 0.037 0.000 2.392 111 V HA -0.232 3.888 4.120 0.001 0.000 0.249 111 V C 1.385 177.534 176.094 0.091 0.000 1.059 111 V CA 1.500 63.811 62.300 0.018 0.000 1.051 111 V CB -0.511 31.328 31.823 0.027 0.000 0.658 111 V HN 0.516 nan 8.190 nan 0.000 0.455 112 N N -1.713 117.055 118.700 0.114 0.000 2.275 112 N HA 0.090 4.830 4.740 0.001 0.000 0.236 112 N C 1.088 176.661 175.510 0.106 0.000 1.154 112 N CA -0.128 52.984 53.050 0.104 0.000 0.866 112 N CB 0.336 38.862 38.487 0.065 0.000 1.093 112 N HN 0.551 nan 8.380 nan 0.000 0.515 113 Y N 1.234 121.559 120.300 0.041 0.000 2.040 113 Y HA -0.313 4.237 4.550 0.001 0.000 0.275 113 Y C 2.034 177.916 175.900 -0.029 0.000 1.171 113 Y CA 1.828 59.921 58.100 -0.013 0.000 1.123 113 Y CB -0.561 37.901 38.460 0.003 0.000 0.963 113 Y HN 0.055 nan 8.280 nan 0.000 0.493 114 F N 1.065 120.941 119.950 -0.123 0.000 2.102 114 F HA -0.210 4.317 4.527 0.001 0.000 0.298 114 F C 2.207 177.892 175.800 -0.192 0.000 1.105 114 F CA 2.191 60.065 58.000 -0.210 0.000 1.239 114 F CB -0.478 38.511 39.000 -0.019 0.000 0.991 114 F HN 0.123 nan 8.300 nan 0.000 0.474 115 D N 0.187 120.615 120.400 0.047 0.000 2.117 115 D HA -0.179 4.462 4.640 0.001 0.000 0.197 115 D C 1.814 178.005 176.300 -0.181 0.000 0.987 115 D CA 1.507 55.491 54.000 -0.026 0.000 0.829 115 D CB -0.482 40.352 40.800 0.058 0.000 0.961 115 D HN 0.354 nan 8.370 nan 0.000 0.460 116 D N 0.424 120.708 120.400 -0.194 0.000 2.117 116 D HA -0.109 4.532 4.640 0.001 0.000 0.198 116 D C 2.226 178.333 176.300 -0.322 0.000 0.982 116 D CA 0.249 54.126 54.000 -0.205 0.000 0.828 116 D CB -0.297 40.410 40.800 -0.155 0.000 0.967 116 D HN 0.127 nan 8.370 nan 0.000 0.464 117 L N 0.895 121.805 121.223 -0.522 0.000 2.017 117 L HA -0.209 4.131 4.340 0.001 0.000 0.208 117 L C 2.281 178.840 176.870 -0.519 0.000 1.073 117 L CA 1.765 56.246 54.840 -0.599 0.000 0.745 117 L CB -0.572 40.950 42.059 -0.895 0.000 0.894 117 L HN -0.105 nan 8.230 nan 0.000 0.432 118 Q N -0.530 118.883 119.800 -0.645 0.000 2.167 118 Q HA -0.058 4.282 4.340 0.001 0.000 0.202 118 Q C 1.875 177.717 176.000 -0.263 0.000 0.970 118 Q CA 1.687 57.196 55.803 -0.490 0.000 0.855 118 Q CB -0.233 28.180 28.738 -0.542 0.000 0.911 118 Q HN 0.577 nan 8.270 nan 0.000 0.438 119 A N -1.033 121.653 122.820 -0.224 0.000 2.178 119 A HA 0.413 4.734 4.320 0.001 0.000 0.211 119 A C 1.530 179.038 177.584 -0.126 0.000 1.157 119 A CA 0.654 52.609 52.037 -0.137 0.000 0.780 119 A CB -0.464 18.475 19.000 -0.101 0.000 0.828 119 A HN 0.664 nan 8.150 nan 0.000 0.476 120 G N -0.597 108.106 108.800 -0.161 0.000 2.143 120 G HA2 -0.256 3.705 3.960 0.001 0.000 0.248 120 G HA3 -0.256 3.705 3.960 0.001 0.000 0.248 120 G C 0.238 175.076 174.900 -0.102 0.000 0.991 120 G CA 0.303 45.325 45.100 -0.129 0.000 0.689 120 G HN 0.613 nan 8.290 nan 0.000 0.522 121 R N 0.343 120.778 120.500 -0.108 0.000 2.459 121 R HA 0.414 4.754 4.340 0.001 0.000 0.281 121 R C 0.577 176.834 176.300 -0.072 0.000 1.050 121 R CA -0.566 55.490 56.100 -0.074 0.000 1.055 121 R CB 0.906 31.168 30.300 -0.063 0.000 1.045 121 R HN 0.474 nan 8.270 nan 0.000 0.495 122 E N 2.277 122.454 120.200 -0.039 0.000 2.452 122 E HA -0.107 4.244 4.350 0.001 0.000 0.261 122 E C -0.387 176.211 176.600 -0.003 0.000 0.987 122 E CA -0.170 56.219 56.400 -0.018 0.000 0.926 122 E CB 0.695 30.397 29.700 0.004 0.000 0.934 122 E HN 0.198 nan 8.360 nan 0.000 0.452 123 Q N 2.278 122.088 119.800 0.017 0.000 2.361 123 Q HA 0.001 4.341 4.340 0.001 0.000 0.276 123 Q C 0.588 176.665 176.000 0.128 0.000 1.022 123 Q CA 0.587 56.431 55.803 0.068 0.000 0.898 123 Q CB 1.432 30.253 28.738 0.138 0.000 1.246 123 Q HN 0.740 nan 8.270 nan 0.000 0.410 124 A N 3.299 126.203 122.820 0.140 0.000 1.898 124 A HA -0.133 4.188 4.320 0.001 0.000 0.216 124 A C 0.881 178.573 177.584 0.180 0.000 1.181 124 A CA 0.881 52.998 52.037 0.132 0.000 0.620 124 A CB -0.307 18.762 19.000 0.114 0.000 0.819 124 A HN 0.728 nan 8.150 nan 0.000 0.442 125 H N 1.466 120.662 119.070 0.210 0.000 2.955 125 H HA 0.121 4.677 4.556 0.001 0.000 0.290 125 H C -1.504 173.971 175.328 0.245 0.000 1.047 125 H CA -1.721 54.476 56.048 0.249 0.000 1.484 125 H CB 1.133 31.116 29.762 0.368 0.000 1.501 125 H HN 0.159 nan 8.280 nan 0.000 0.521 126 P HA -0.217 nan 4.420 nan 0.000 0.216 126 P C 1.670 179.173 177.300 0.338 0.000 1.150 126 P CA 1.217 64.461 63.100 0.241 0.000 0.843 126 P CB -0.079 31.693 31.700 0.120 0.000 0.787 127 W N -0.152 121.373 121.300 0.374 0.000 2.355 127 W HA -0.110 4.550 4.660 0.001 0.000 0.309 127 W C 2.375 178.836 176.519 -0.095 0.000 1.206 127 W CA 1.403 58.790 57.345 0.069 0.000 1.284 127 W CB -1.206 28.228 29.460 -0.044 0.000 1.145 127 W HN -0.099 nan 8.180 nan 0.000 0.502 128 W N 0.008 121.422 121.300 0.191 0.000 2.374 128 W HA -0.151 4.510 4.660 0.000 0.000 0.288 128 W C 2.590 179.032 176.519 -0.128 0.000 1.218 128 W CA 1.595 58.906 57.345 -0.057 0.000 1.245 128 W CB -0.769 28.705 29.460 0.023 0.000 1.126 128 W HN -0.041 nan 8.180 nan 0.000 0.545 129 A N 0.246 123.181 122.820 0.191 0.000 1.858 129 A HA -0.201 4.120 4.320 0.001 0.000 0.216 129 A C 1.910 179.473 177.584 -0.035 0.000 1.190 129 A CA 1.584 53.671 52.037 0.082 0.000 0.617 129 A CB -1.048 18.005 19.000 0.088 0.000 0.827 129 A HN 0.265 nan 8.150 nan 0.000 0.443 130 L N -0.639 120.496 121.223 -0.146 0.000 2.005 130 L HA -0.151 4.189 4.340 0.001 0.000 0.207 130 L C 2.576 179.154 176.870 -0.486 0.000 1.072 130 L CA 1.228 55.911 54.840 -0.262 0.000 0.744 130 L CB -0.757 41.123 42.059 -0.298 0.000 0.895 130 L HN 0.245 nan 8.230 nan 0.000 0.433 131 V N 0.282 119.669 119.914 -0.878 0.000 2.332 131 V HA -0.283 3.837 4.120 0.001 0.000 0.248 131 V C 2.193 178.110 176.094 -0.296 0.000 1.055 131 V CA 1.956 63.697 62.300 -0.930 0.000 1.038 131 V CB -0.697 30.251 31.823 -1.457 0.000 0.651 131 V HN 0.478 nan 8.190 nan 0.000 0.450 132 N N -0.236 118.447 118.700 -0.027 0.000 2.270 132 N HA -0.139 4.602 4.740 0.001 0.000 0.181 132 N C 1.890 177.468 175.510 0.114 0.000 1.016 132 N CA 1.242 54.396 53.050 0.174 0.000 0.870 132 N CB -0.231 38.353 38.487 0.163 0.000 0.979 132 N HN 0.680 nan 8.380 nan 0.000 0.431 133 E N -0.192 120.035 120.200 0.044 0.000 2.106 133 E HA -0.199 4.151 4.350 0.001 0.000 0.192 133 E C 1.565 178.218 176.600 0.088 0.000 0.984 133 E CA 0.823 57.254 56.400 0.052 0.000 0.806 133 E CB -0.043 29.680 29.700 0.037 0.000 0.750 133 E HN 0.454 nan 8.360 nan 0.000 0.458 134 H N -0.854 118.214 119.070 -0.004 0.000 2.544 134 H HA -0.033 4.523 4.556 0.001 0.000 0.269 134 H C 1.529 176.900 175.328 0.072 0.000 0.970 134 H CA 0.183 56.242 56.048 0.018 0.000 1.219 134 H CB 0.040 29.808 29.762 0.010 0.000 1.421 134 H HN 0.182 nan 8.280 nan 0.000 0.555 135 F N 2.161 122.070 119.950 -0.067 0.000 2.115 135 F HA -0.096 4.431 4.527 0.001 0.000 0.300 135 F C -0.766 174.923 175.800 -0.186 0.000 1.092 135 F CA 0.712 58.659 58.000 -0.088 0.000 1.245 135 F CB -1.388 37.609 39.000 -0.005 0.000 0.995 135 F HN 0.284 nan 8.300 nan 0.000 0.481 136 P HA -0.208 nan 4.420 nan 0.000 0.216 136 P C 1.110 178.341 177.300 -0.115 0.000 1.150 136 P CA 2.096 65.166 63.100 -0.050 0.000 0.843 136 P CB -0.241 31.423 31.700 -0.059 0.000 0.787 137 N N -1.114 117.443 118.700 -0.239 0.000 2.289 137 N HA -0.099 4.642 4.740 0.001 0.000 0.184 137 N C 1.310 176.748 175.510 -0.121 0.000 1.016 137 N CA 0.582 53.476 53.050 -0.261 0.000 0.872 137 N CB -0.178 38.048 38.487 -0.434 0.000 0.973 137 N HN 0.030 nan 8.380 nan 0.000 0.433 138 V N 1.067 120.954 119.914 -0.044 0.000 2.426 138 V HA -0.057 4.064 4.120 0.001 0.000 0.242 138 V C 2.061 178.345 176.094 0.316 0.000 1.036 138 V CA 0.874 63.290 62.300 0.193 0.000 1.044 138 V CB -0.265 31.621 31.823 0.105 0.000 0.688 138 V HN 0.259 nan 8.190 nan 0.000 0.462 139 L N 1.027 122.350 121.223 0.167 0.000 2.201 139 L HA -0.136 4.204 4.340 0.001 0.000 0.212 139 L C 2.745 179.678 176.870 0.105 0.000 1.105 139 L CA 1.506 56.436 54.840 0.150 0.000 0.775 139 L CB -0.749 41.277 42.059 -0.055 0.000 0.913 139 L HN 0.462 nan 8.230 nan 0.000 0.440 140 R N -0.662 119.795 120.500 -0.071 0.000 2.241 140 R HA -0.154 4.186 4.340 0.001 0.000 0.224 140 R C 1.445 177.591 176.300 -0.257 0.000 1.101 140 R CA 1.158 57.147 56.100 -0.185 0.000 0.995 140 R CB -0.610 29.516 30.300 -0.289 0.000 0.870 140 R HN 0.469 nan 8.270 nan 0.000 0.463 141 H N -0.472 118.517 119.070 -0.134 0.000 2.539 141 H HA 0.187 4.744 4.556 0.001 0.000 0.267 141 H C -0.316 174.556 175.328 -0.760 0.000 0.982 141 H CA 0.395 56.157 56.048 -0.478 0.000 1.146 141 H CB 0.035 29.356 29.762 -0.735 0.000 1.382 141 H HN 0.116 nan 8.280 nan 0.000 0.577 142 F N -0.721 119.296 119.950 0.110 0.000 2.620 142 F HA 0.517 5.045 4.527 0.001 0.000 0.320 142 F C 1.086 176.931 175.800 0.075 0.000 1.069 142 F CA -1.208 56.856 58.000 0.107 0.000 0.953 142 F CB 0.920 39.975 39.000 0.092 0.000 1.322 142 F HN -0.132 nan 8.300 nan 0.000 0.479 143 G N 0.731 109.721 108.800 0.317 0.000 2.599 143 G HA2 0.364 4.324 3.960 0.001 0.000 0.264 143 G HA3 0.364 4.324 3.960 0.001 0.000 0.264 143 G C -1.800 173.214 174.900 0.190 0.000 1.200 143 G CA -1.198 44.033 45.100 0.217 0.000 0.896 143 G HN 0.423 nan 8.290 nan 0.000 0.536 144 P HA -0.213 nan 4.420 nan 0.000 0.215 144 P C 1.611 178.997 177.300 0.144 0.000 1.153 144 P CA 1.075 64.247 63.100 0.121 0.000 0.853 144 P CB 0.063 31.833 31.700 0.117 0.000 0.788 145 F N 0.798 120.798 119.950 0.083 0.000 2.113 145 F HA -0.160 4.367 4.527 0.001 0.000 0.297 145 F C 2.319 178.129 175.800 0.018 0.000 1.103 145 F CA 1.413 59.457 58.000 0.073 0.000 1.248 145 F CB -1.051 38.019 39.000 0.116 0.000 0.999 145 F HN -0.045 nan 8.300 nan 0.000 0.475 146 C N -0.314 118.989 119.300 0.005 0.000 2.440 146 C HA -0.115 4.346 4.460 0.001 0.000 0.278 146 C C 3.017 177.878 174.990 -0.214 0.000 1.295 146 C CA 1.381 60.320 59.018 -0.130 0.000 1.738 146 C CB -1.349 26.457 27.740 0.111 0.000 1.987 146 C HN 0.553 nan 8.230 nan 0.000 0.492 147 S N 1.031 116.671 115.700 -0.100 0.000 2.359 147 S HA -0.197 4.273 4.470 0.001 0.000 0.224 147 S C 1.732 176.204 174.600 -0.213 0.000 1.035 147 S CA 1.506 59.614 58.200 -0.154 0.000 1.018 147 S CB -0.556 62.597 63.200 -0.077 0.000 0.876 147 S HN 0.549 nan 8.310 nan 0.000 0.448 148 L N 2.797 123.911 121.223 -0.182 0.000 2.079 148 L HA -0.125 4.215 4.340 0.001 0.000 0.210 148 L C 1.800 178.565 176.870 -0.175 0.000 1.081 148 L CA 1.699 56.440 54.840 -0.165 0.000 0.752 148 L CB -0.748 41.231 42.059 -0.134 0.000 0.896 148 L HN 0.269 nan 8.230 nan 0.000 0.433 149 N N -0.797 117.738 118.700 -0.274 0.000 2.188 149 N HA -0.164 4.577 4.740 0.001 0.000 0.184 149 N C 1.798 177.274 175.510 -0.055 0.000 1.018 149 N CA 1.462 54.400 53.050 -0.187 0.000 0.858 149 N CB -0.125 38.175 38.487 -0.310 0.000 0.989 149 N HN 0.274 nan 8.380 nan 0.000 0.426 150 L N 1.528 122.682 121.223 -0.114 0.000 2.046 150 L HA -0.061 4.279 4.340 0.001 0.000 0.208 150 L C 2.238 179.203 176.870 0.158 0.000 1.077 150 L CA 1.053 55.885 54.840 -0.012 0.000 0.747 150 L CB -0.485 41.487 42.059 -0.145 0.000 0.896 150 L HN 0.129 nan 8.230 nan 0.000 0.432 151 I N -1.107 119.451 120.570 -0.020 0.000 2.179 151 I HA -0.329 3.841 4.170 0.001 0.000 0.242 151 I C 2.626 178.870 176.117 0.212 0.000 1.088 151 I CA 1.227 62.553 61.300 0.044 0.000 1.357 151 I CB -0.304 37.603 38.000 -0.154 0.000 1.051 151 I HN 0.232 nan 8.210 nan 0.000 0.409 152 R N -0.078 120.502 120.500 0.132 0.000 2.066 152 R HA -0.135 4.205 4.340 0.001 0.000 0.232 152 R C 2.533 178.954 176.300 0.202 0.000 1.131 152 R CA 1.637 57.830 56.100 0.155 0.000 0.955 152 R CB -0.597 29.764 30.300 0.102 0.000 0.851 152 R HN 0.212 nan 8.270 nan 0.000 0.432 153 S N -0.118 115.696 115.700 0.190 0.000 2.399 153 S HA -0.123 4.348 4.470 0.001 0.000 0.231 153 S C 1.675 176.466 174.600 0.319 0.000 1.022 153 S CA 1.658 59.973 58.200 0.192 0.000 0.983 153 S CB -0.130 63.178 63.200 0.180 0.000 0.803 153 S HN 0.342 nan 8.310 nan 0.000 0.480 154 T N 1.831 116.640 114.554 0.425 0.000 2.942 154 T HA 0.073 4.423 4.350 0.001 0.000 0.265 154 T C 1.577 176.670 174.700 0.655 0.000 1.062 154 T CA 0.848 63.278 62.100 0.550 0.000 1.139 154 T CB -0.218 69.039 68.868 0.648 0.000 0.883 154 T HN 0.255 nan 8.240 nan 0.000 0.468 155 L N 1.671 123.257 121.223 0.605 0.000 2.072 155 L HA 0.002 4.342 4.340 0.001 0.000 0.205 155 L C 1.720 178.866 176.870 0.461 0.000 1.079 155 L CA 1.759 56.973 54.840 0.624 0.000 0.752 155 L CB -0.628 41.670 42.059 0.398 0.000 0.906 155 L HN 0.029 nan 8.230 nan 0.000 0.436 156 D N -0.875 119.716 120.400 0.319 0.000 2.123 156 D HA -0.259 4.381 4.640 0.001 0.000 0.196 156 D C 2.019 178.432 176.300 0.188 0.000 0.992 156 D CA 1.502 55.616 54.000 0.191 0.000 0.833 156 D CB -0.426 40.432 40.800 0.097 0.000 0.954 156 D HN 0.364 nan 8.370 nan 0.000 0.455 157 F N 0.470 120.501 119.950 0.134 0.000 2.126 157 F HA -0.204 4.323 4.527 0.001 0.000 0.299 157 F C 2.080 177.883 175.800 0.005 0.000 1.096 157 F CA 0.999 59.036 58.000 0.062 0.000 1.255 157 F CB -0.429 38.632 39.000 0.102 0.000 0.997 157 F HN -0.094 nan 8.300 nan 0.000 0.479 158 F N 1.237 121.162 119.950 -0.042 0.000 2.126 158 F HA -0.196 4.331 4.527 0.001 0.000 0.299 158 F C 2.544 178.282 175.800 -0.103 0.000 1.096 158 F CA 2.183 60.042 58.000 -0.234 0.000 1.255 158 F CB -0.687 38.335 39.000 0.037 0.000 0.997 158 F HN 0.168 nan 8.300 nan 0.000 0.479 159 E N -0.434 119.842 120.200 0.127 0.000 2.150 159 E HA -0.094 4.256 4.350 0.001 0.000 0.193 159 E C 2.462 179.000 176.600 -0.102 0.000 0.985 159 E CA 0.956 57.408 56.400 0.087 0.000 0.814 159 E CB -0.598 29.163 29.700 0.102 0.000 0.752 159 E HN 0.500 nan 8.360 nan 0.000 0.466 160 G N 0.570 109.237 108.800 -0.222 0.000 2.421 160 G HA2 -0.294 3.666 3.960 0.001 0.000 0.216 160 G HA3 -0.294 3.666 3.960 0.001 0.000 0.216 160 G C 1.697 176.399 174.900 -0.329 0.000 1.171 160 G CA 0.957 45.879 45.100 -0.298 0.000 0.775 160 G HN 0.401 nan 8.290 nan 0.000 0.543 161 C N -0.866 118.107 119.300 -0.546 0.000 2.425 161 C HA -0.024 4.437 4.460 0.001 0.000 0.277 161 C C 2.346 177.193 174.990 -0.237 0.000 1.280 161 C CA 0.289 59.007 59.018 -0.499 0.000 1.744 161 C CB -1.050 26.229 27.740 -0.768 0.000 1.989 161 C HN 0.659 nan 8.230 nan 0.000 0.491 162 W N 1.810 122.837 121.300 -0.455 0.000 2.333 162 W HA -0.110 4.551 4.660 0.001 0.000 0.316 162 W C 2.141 178.644 176.519 -0.027 0.000 1.215 162 W CA 1.317 58.508 57.345 -0.257 0.000 1.278 162 W CB -1.038 28.269 29.460 -0.255 0.000 1.154 162 W HN 0.300 nan 8.180 nan 0.000 0.486 163 I N 0.587 121.258 120.570 0.167 0.000 2.208 163 I HA -0.320 3.850 4.170 0.001 0.000 0.245 163 I C 2.166 178.423 176.117 0.234 0.000 1.097 163 I CA 1.790 63.162 61.300 0.120 0.000 1.363 163 I CB -0.738 37.283 38.000 0.035 0.000 1.051 163 I HN 0.001 nan 8.210 nan 0.000 0.413 164 E N 0.537 120.806 120.200 0.115 0.000 2.268 164 E HA -0.223 4.127 4.350 0.001 0.000 0.195 164 E C 2.029 178.698 176.600 0.116 0.000 0.995 164 E CA 0.609 57.069 56.400 0.099 0.000 0.836 164 E CB -0.110 29.583 29.700 -0.013 0.000 0.763 164 E HN 0.596 nan 8.360 nan 0.000 0.491 165 Q N -0.329 119.550 119.800 0.132 0.000 2.291 165 Q HA -0.162 4.178 4.340 0.001 0.000 0.206 165 Q C 1.057 177.044 176.000 -0.021 0.000 0.976 165 Q CA 0.990 56.812 55.803 0.032 0.000 0.875 165 Q CB -0.052 28.685 28.738 -0.001 0.000 0.927 165 Q HN 0.454 nan 8.270 nan 0.000 0.450 166 Y N 0.171 120.511 120.300 0.066 0.000 2.546 166 Y HA -0.003 4.548 4.550 0.001 0.000 0.287 166 Y C 0.679 176.632 175.900 0.088 0.000 1.158 166 Y CA 0.239 58.373 58.100 0.057 0.000 1.307 166 Y CB -0.008 38.464 38.460 0.019 0.000 1.036 166 Y HN 0.138 nan 8.280 nan 0.000 0.532 167 N N -0.240 118.586 118.700 0.211 0.000 2.725 167 N HA -0.271 4.470 4.740 0.001 0.000 0.251 167 N C -1.102 174.552 175.510 0.240 0.000 1.031 167 N CA 0.257 53.405 53.050 0.164 0.000 0.720 167 N CB -1.555 36.986 38.487 0.091 0.000 0.930 167 N HN 0.238 nan 8.380 nan 0.000 0.543 168 F N -0.475 119.529 119.950 0.089 0.000 2.388 168 F HA 0.630 5.157 4.527 0.001 0.000 0.358 168 F C 1.431 177.271 175.800 0.067 0.000 1.122 168 F CA -0.521 57.484 58.000 0.009 0.000 1.056 168 F CB 0.961 39.911 39.000 -0.082 0.000 1.155 168 F HN 0.026 nan 8.300 nan 0.000 0.461 169 G N 2.979 111.545 108.800 -0.390 0.000 2.985 169 G HA2 0.418 4.378 3.960 0.001 0.000 0.209 169 G HA3 0.418 4.378 3.960 0.001 0.000 0.209 169 G C 0.507 175.037 174.900 -0.616 0.000 1.165 169 G CA 0.274 45.215 45.100 -0.265 0.000 0.776 169 G HN 1.379 nan 8.290 nan 0.000 0.541 170 G N -0.963 106.587 108.800 -2.083 0.000 2.587 170 G HA2 0.031 3.992 3.960 0.001 0.000 0.686 170 G HA3 0.031 3.992 3.960 0.001 0.000 0.686 170 G C -0.650 173.630 174.900 -1.033 0.000 1.236 170 G CA -1.131 42.726 45.100 -2.072 0.000 0.820 170 G HN 0.186 nan 8.290 nan 0.000 0.645 171 F N 1.144 120.891 119.950 -0.339 0.000 2.443 171 F HA 0.477 5.004 4.527 0.001 0.000 0.353 171 F C -1.336 174.443 175.800 -0.035 0.000 1.101 171 F CA -1.988 55.990 58.000 -0.036 0.000 1.226 171 F CB 0.821 39.863 39.000 0.071 0.000 1.140 171 F HN 0.160 nan 8.300 nan 0.000 0.557 172 P HA 0.176 nan 4.420 nan 0.000 0.263 172 P C 0.614 177.990 177.300 0.128 0.000 1.195 172 P CA 1.126 64.311 63.100 0.141 0.000 0.762 172 P CB 0.412 32.179 31.700 0.112 0.000 0.799 173 G N 2.376 111.259 108.800 0.139 0.000 2.179 173 G HA2 -0.238 3.722 3.960 0.001 0.000 0.220 173 G HA3 -0.238 3.722 3.960 0.001 0.000 0.220 173 G C 0.643 175.473 174.900 -0.118 0.000 0.990 173 G CA 0.070 45.165 45.100 -0.009 0.000 0.646 173 G HN 0.603 nan 8.290 nan 0.000 0.517 174 S N 1.141 116.897 115.700 0.092 0.000 3.812 174 S HA 0.412 4.882 4.470 0.001 0.000 0.195 174 S C 1.751 176.499 174.600 0.246 0.000 1.460 174 S CA -0.058 58.214 58.200 0.121 0.000 1.052 174 S CB -0.363 62.932 63.200 0.159 0.000 1.385 174 S HN 0.387 nan 8.310 nan 0.000 0.490 175 H N 1.393 120.542 119.070 0.132 0.000 2.460 175 H HA -0.072 4.484 4.556 0.001 0.000 0.297 175 H C 1.411 176.845 175.328 0.178 0.000 1.103 175 H CA 1.283 57.418 56.048 0.145 0.000 1.292 175 H CB -0.011 29.812 29.762 0.102 0.000 1.376 175 H HN 0.549 nan 8.280 nan 0.000 0.531 176 D N -0.677 119.886 120.400 0.273 0.000 2.347 176 D HA -0.099 4.541 4.640 0.001 0.000 0.213 176 D C 1.870 178.318 176.300 0.246 0.000 0.985 176 D CA 0.135 54.268 54.000 0.222 0.000 0.879 176 D CB -0.175 40.706 40.800 0.134 0.000 0.919 176 D HN 0.361 nan 8.370 nan 0.000 0.526 177 Y N 2.137 122.523 120.300 0.144 0.000 2.114 177 Y HA -0.123 4.428 4.550 0.001 0.000 0.284 177 Y C -0.900 175.144 175.900 0.241 0.000 1.143 177 Y CA 1.578 59.783 58.100 0.175 0.000 1.135 177 Y CB -1.236 37.264 38.460 0.066 0.000 0.980 177 Y HN -0.011 nan 8.280 nan 0.000 0.499 178 P HA -0.236 nan 4.420 nan 0.000 0.214 178 P C 1.280 178.502 177.300 -0.131 0.000 1.169 178 P CA 2.737 65.756 63.100 -0.135 0.000 0.908 178 P CB -0.132 31.534 31.700 -0.058 0.000 0.791 179 Q N -2.235 117.604 119.800 0.065 0.000 2.230 179 Q HA -0.127 4.213 4.340 0.001 0.000 0.202 179 Q C 2.026 178.060 176.000 0.057 0.000 0.963 179 Q CA 0.821 56.690 55.803 0.110 0.000 0.866 179 Q CB -0.590 28.304 28.738 0.259 0.000 0.931 179 Q HN 0.273 nan 8.270 nan 0.000 0.452 180 F N 1.153 121.055 119.950 -0.080 0.000 2.134 180 F HA -0.226 4.302 4.527 0.001 0.000 0.299 180 F C 1.791 177.491 175.800 -0.167 0.000 1.097 180 F CA 1.016 58.960 58.000 -0.093 0.000 1.264 180 F CB -0.231 38.726 39.000 -0.071 0.000 1.001 180 F HN 0.048 nan 8.300 nan 0.000 0.479 181 L N 0.904 121.792 121.223 -0.558 0.000 2.072 181 L HA -0.027 4.314 4.340 0.001 0.000 0.205 181 L C 2.505 179.145 176.870 -0.383 0.000 1.079 181 L CA 1.618 56.062 54.840 -0.660 0.000 0.752 181 L CB -0.988 40.692 42.059 -0.632 0.000 0.906 181 L HN 0.121 nan 8.230 nan 0.000 0.436 182 R N -0.071 120.281 120.500 -0.247 0.000 2.120 182 R HA -0.078 4.263 4.340 0.001 0.000 0.234 182 R C 2.337 178.563 176.300 -0.124 0.000 1.123 182 R CA 1.512 57.532 56.100 -0.134 0.000 0.975 182 R CB -0.340 29.922 30.300 -0.064 0.000 0.866 182 R HN 0.347 nan 8.270 nan 0.000 0.446 183 R N -1.086 119.318 120.500 -0.159 0.000 2.119 183 R HA 0.045 4.386 4.340 0.001 0.000 0.222 183 R C 2.050 178.252 176.300 -0.163 0.000 1.088 183 R CA 1.058 57.070 56.100 -0.145 0.000 0.984 183 R CB -0.136 30.092 30.300 -0.120 0.000 0.884 183 R HN 0.199 nan 8.270 nan 0.000 0.447 184 M N 1.389 120.831 119.600 -0.264 0.000 2.086 184 M HA -0.146 4.334 4.480 0.001 0.000 0.261 184 M C 1.342 177.587 176.300 -0.092 0.000 1.067 184 M CA 1.714 56.867 55.300 -0.245 0.000 1.116 184 M CB -0.865 31.475 32.600 -0.434 0.000 1.348 184 M HN 0.146 nan 8.290 nan 0.000 0.407 185 N N -0.517 118.134 118.700 -0.082 0.000 2.322 185 N HA 0.064 4.804 4.740 0.001 0.000 0.194 185 N C 1.305 176.971 175.510 0.261 0.000 1.126 185 N CA 0.844 53.938 53.050 0.073 0.000 0.845 185 N CB -0.834 37.627 38.487 -0.043 0.000 0.976 185 N HN 0.222 nan 8.380 nan 0.000 0.475 186 G N -0.024 108.858 108.800 0.137 0.000 2.494 186 G HA2 0.068 4.029 3.960 0.001 0.000 0.216 186 G HA3 0.068 4.029 3.960 0.001 0.000 0.216 186 G C 0.605 175.590 174.900 0.142 0.000 1.140 186 G CA 0.157 45.330 45.100 0.121 0.000 0.801 186 G HN 0.334 nan 8.290 nan 0.000 0.536 187 L N -0.534 120.784 121.223 0.158 0.000 4.291 187 L HA -0.223 4.117 4.340 0.001 0.000 0.413 187 L C 2.151 179.105 176.870 0.141 0.000 1.162 187 L CA -0.054 54.886 54.840 0.166 0.000 0.961 187 L CB -1.606 40.549 42.059 0.159 0.000 2.095 187 L HN 0.306 nan 8.230 nan 0.000 0.838 188 G N -0.793 108.057 108.800 0.083 0.000 2.476 188 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 188 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 188 G C 1.051 176.071 174.900 0.201 0.000 1.164 188 G CA 1.351 46.509 45.100 0.096 0.000 0.768 188 G HN 0.739 nan 8.290 nan 0.000 0.560 189 H N -1.541 117.536 119.070 0.012 0.000 2.529 189 H HA 0.024 4.580 4.556 0.001 0.000 0.277 189 H C 2.471 177.799 175.328 -0.000 0.000 0.999 189 H CA 0.271 56.312 56.048 -0.013 0.000 1.256 189 H CB 0.185 29.935 29.762 -0.019 0.000 1.402 189 H HN 0.437 nan 8.280 nan 0.000 0.566 190 C N 0.333 119.752 119.300 0.198 0.000 2.476 190 C HA -0.075 4.386 4.460 0.001 0.000 0.278 190 C C 2.714 177.837 174.990 0.221 0.000 1.274 190 C CA 0.372 59.507 59.018 0.195 0.000 1.713 190 C CB -0.955 26.974 27.740 0.315 0.000 2.039 190 C HN 0.296 nan 8.230 nan 0.000 0.484 191 V N 1.453 121.517 119.914 0.250 0.000 2.223 191 V HA -0.048 4.072 4.120 0.001 0.000 0.244 191 V C 2.817 178.874 176.094 -0.062 0.000 1.045 191 V CA 2.479 64.912 62.300 0.221 0.000 1.000 191 V CB -1.613 30.230 31.823 0.033 0.000 0.635 191 V HN 0.686 nan 8.190 nan 0.000 0.445 192 G N -0.460 108.252 108.800 -0.147 0.000 2.513 192 G HA2 -0.306 3.654 3.960 0.001 0.000 0.219 192 G HA3 -0.306 3.654 3.960 0.001 0.000 0.219 192 G C 1.669 176.520 174.900 -0.082 0.000 1.160 192 G CA 1.355 46.335 45.100 -0.199 0.000 0.767 192 G HN 0.669 nan 8.290 nan 0.000 0.571 193 A N 0.764 123.564 122.820 -0.033 0.000 2.016 193 A HA 0.159 4.479 4.320 0.001 0.000 0.217 193 A C 2.591 180.114 177.584 -0.101 0.000 1.162 193 A CA 1.892 53.938 52.037 0.016 0.000 0.662 193 A CB -0.438 18.485 19.000 -0.127 0.000 0.812 193 A HN 0.767 nan 8.150 nan 0.000 0.450 194 S N -0.170 115.442 115.700 -0.146 0.000 2.555 194 S HA 0.072 4.543 4.470 0.001 0.000 0.230 194 S C 1.335 176.139 174.600 0.340 0.000 0.978 194 S CA 0.672 58.824 58.200 -0.080 0.000 0.934 194 S CB -0.551 62.763 63.200 0.189 0.000 0.766 194 S HN 0.448 nan 8.310 nan 0.000 0.533 195 L N -0.556 120.516 121.223 -0.250 0.000 2.599 195 L HA 0.232 4.572 4.340 0.001 0.000 0.230 195 L C -0.102 176.072 176.870 -1.161 0.000 1.141 195 L CA 0.019 54.340 54.840 -0.866 0.000 0.877 195 L CB -0.272 40.813 42.059 -1.623 0.000 1.009 195 L HN 0.476 nan 8.230 nan 0.000 0.447 196 W N -0.282 121.065 121.300 0.078 0.000 2.148 196 W HA 0.362 5.023 4.660 0.001 0.000 0.288 196 W C -2.480 174.201 176.519 0.270 0.000 0.920 196 W CA -2.105 55.184 57.345 -0.093 0.000 1.904 196 W CB -0.148 29.139 29.460 -0.288 0.000 2.083 196 W HN -0.228 nan 8.180 nan 0.000 0.398 197 P HA -0.051 nan 4.420 nan 0.000 0.266 197 P C 1.020 178.440 177.300 0.199 0.000 1.195 197 P CA 0.183 63.263 63.100 -0.033 0.000 0.768 197 P CB 0.897 32.532 31.700 -0.107 0.000 0.838 198 K N 2.494 122.950 120.400 0.094 0.000 2.515 198 K HA -0.156 4.165 4.320 0.001 0.000 0.196 198 K C 1.353 178.014 176.600 0.100 0.000 1.038 198 K CA 1.289 57.666 56.287 0.148 0.000 0.967 198 K CB -0.183 32.382 32.500 0.108 0.000 0.780 198 K HN 0.389 nan 8.250 nan 0.000 0.483 199 E N 0.599 120.838 120.200 0.064 0.000 2.299 199 E HA -0.088 4.263 4.350 0.001 0.000 0.193 199 E C 1.148 177.751 176.600 0.005 0.000 0.998 199 E CA 0.587 57.003 56.400 0.026 0.000 0.851 199 E CB 0.353 30.058 29.700 0.009 0.000 0.795 199 E HN 0.400 nan 8.360 nan 0.000 0.492 200 Q N -1.315 118.511 119.800 0.043 0.000 2.280 200 Q HA 0.225 4.565 4.340 0.001 0.000 0.244 200 Q C -0.938 174.785 176.000 -0.462 0.000 0.847 200 Q CA 0.179 55.868 55.803 -0.189 0.000 0.945 200 Q CB 0.941 29.564 28.738 -0.190 0.000 1.115 200 Q HN 0.009 nan 8.270 nan 0.000 0.513 201 F N -0.034 119.980 119.950 0.108 0.000 2.588 201 F HA 0.388 4.916 4.527 0.001 0.000 0.310 201 F C -0.264 175.590 175.800 0.089 0.000 1.082 201 F CA -1.371 56.700 58.000 0.118 0.000 0.929 201 F CB 1.285 40.412 39.000 0.212 0.000 1.254 201 F HN -0.224 nan 8.300 nan 0.000 0.455 202 N N 2.141 120.983 118.700 0.236 0.000 2.527 202 N HA 0.067 4.808 4.740 0.001 0.000 0.236 202 N C 0.741 176.337 175.510 0.142 0.000 0.999 202 N CA 0.153 53.293 53.050 0.149 0.000 0.935 202 N CB 1.040 39.578 38.487 0.085 0.000 1.132 202 N HN 0.915 nan 8.380 nan 0.000 0.511 203 E N 3.167 123.462 120.200 0.158 0.000 2.147 203 E HA -0.240 4.111 4.350 0.001 0.000 0.199 203 E C 1.080 177.752 176.600 0.119 0.000 1.005 203 E CA 1.626 58.108 56.400 0.136 0.000 0.810 203 E CB 0.366 30.187 29.700 0.202 0.000 0.736 203 E HN 0.599 nan 8.360 nan 0.000 0.460 204 R N -0.517 120.052 120.500 0.115 0.000 2.075 204 R HA 0.052 4.392 4.340 0.001 0.000 0.226 204 R C 2.563 178.900 176.300 0.062 0.000 1.114 204 R CA 1.223 57.378 56.100 0.092 0.000 0.972 204 R CB -0.128 30.197 30.300 0.043 0.000 0.869 204 R HN -0.002 nan 8.270 nan 0.000 0.437 205 S N 1.168 116.897 115.700 0.048 0.000 2.423 205 S HA 0.026 4.496 4.470 0.001 0.000 0.231 205 S C 1.510 176.126 174.600 0.027 0.000 1.014 205 S CA 0.888 59.106 58.200 0.030 0.000 0.965 205 S CB 0.076 63.294 63.200 0.030 0.000 0.785 205 S HN 0.202 nan 8.310 nan 0.000 0.495 206 L N -0.048 121.189 121.223 0.023 0.000 3.014 206 L HA 0.351 4.692 4.340 0.001 0.000 0.263 206 L C 1.214 178.025 176.870 -0.099 0.000 1.207 206 L CA -0.167 54.649 54.840 -0.040 0.000 1.017 206 L CB -0.120 41.901 42.059 -0.064 0.000 1.360 206 L HN 0.154 nan 8.230 nan 0.000 0.560 207 F N 1.198 121.038 119.950 -0.184 0.000 2.085 207 F HA -0.353 4.175 4.527 0.001 0.000 0.299 207 F C 2.001 177.651 175.800 -0.249 0.000 1.096 207 F CA 2.070 59.907 58.000 -0.272 0.000 1.227 207 F CB 0.065 38.884 39.000 -0.301 0.000 0.983 207 F HN 0.023 nan 8.300 nan 0.000 0.482 208 L N 0.042 121.307 121.223 0.071 0.000 2.017 208 L HA -0.211 4.130 4.340 0.001 0.000 0.208 208 L C 2.619 179.433 176.870 -0.093 0.000 1.073 208 L CA 1.739 56.588 54.840 0.015 0.000 0.745 208 L CB -1.141 40.938 42.059 0.034 0.000 0.894 208 L HN 0.251 nan 8.230 nan 0.000 0.432 209 E N 0.675 120.806 120.200 -0.115 0.000 2.150 209 E HA -0.171 4.179 4.350 0.001 0.000 0.193 209 E C 2.173 178.608 176.600 -0.275 0.000 0.985 209 E CA 1.184 57.528 56.400 -0.094 0.000 0.814 209 E CB -0.398 29.261 29.700 -0.068 0.000 0.752 209 E HN 0.552 nan 8.360 nan 0.000 0.466 210 I N 1.671 121.933 120.570 -0.513 0.000 2.202 210 I HA -0.208 3.962 4.170 0.001 0.000 0.242 210 I C 2.379 178.273 176.117 -0.372 0.000 1.091 210 I CA 1.562 62.419 61.300 -0.737 0.000 1.368 210 I CB -0.505 37.026 38.000 -0.781 0.000 1.058 210 I HN 0.064 nan 8.210 nan 0.000 0.410 211 T N 0.189 114.524 114.554 -0.364 0.000 2.720 211 T HA -0.173 4.177 4.350 0.001 0.000 0.268 211 T C 2.086 176.722 174.700 -0.105 0.000 1.037 211 T CA 1.882 63.847 62.100 -0.225 0.000 1.144 211 T CB -0.154 68.531 68.868 -0.306 0.000 0.864 211 T HN 0.282 nan 8.240 nan 0.000 0.444 212 S N 1.028 116.693 115.700 -0.059 0.000 2.383 212 S HA 0.050 4.520 4.470 0.001 0.000 0.227 212 S C 2.557 177.249 174.600 0.154 0.000 1.026 212 S CA 0.799 59.036 58.200 0.061 0.000 0.981 212 S CB -0.436 62.822 63.200 0.098 0.000 0.818 212 S HN 0.589 nan 8.310 nan 0.000 0.472 213 A N 1.533 124.403 122.820 0.084 0.000 1.933 213 A HA -0.044 4.277 4.320 0.001 0.000 0.218 213 A C 2.035 179.598 177.584 -0.036 0.000 1.175 213 A CA 1.128 53.151 52.037 -0.023 0.000 0.628 213 A CB -0.681 18.279 19.000 -0.067 0.000 0.814 213 A HN 0.481 nan 8.150 nan 0.000 0.444 214 I N -0.304 120.231 120.570 -0.058 0.000 2.179 214 I HA -0.283 3.887 4.170 0.001 0.000 0.242 214 I C 2.989 179.031 176.117 -0.126 0.000 1.088 214 I CA 1.128 62.348 61.300 -0.132 0.000 1.357 214 I CB -0.366 37.487 38.000 -0.244 0.000 1.051 214 I HN 0.355 nan 8.210 nan 0.000 0.409 215 A N 0.076 122.845 122.820 -0.086 0.000 1.902 215 A HA -0.237 4.083 4.320 0.001 0.000 0.217 215 A C 2.257 179.852 177.584 0.018 0.000 1.181 215 A CA 1.592 53.614 52.037 -0.025 0.000 0.623 215 A CB -0.500 18.503 19.000 0.004 0.000 0.818 215 A HN 0.505 nan 8.150 nan 0.000 0.443 216 Q N -2.093 117.738 119.800 0.052 0.000 2.123 216 Q HA -0.015 4.325 4.340 0.001 0.000 0.196 216 Q C 2.067 178.106 176.000 0.065 0.000 0.958 216 Q CA 1.255 57.112 55.803 0.089 0.000 0.841 216 Q CB -0.212 28.643 28.738 0.195 0.000 0.915 216 Q HN 0.593 nan 8.270 nan 0.000 0.455 217 M N 1.570 121.168 119.600 -0.003 0.000 2.229 217 M HA -0.166 4.315 4.480 0.001 0.000 0.264 217 M C 1.838 178.125 176.300 -0.022 0.000 1.063 217 M CA 1.543 56.818 55.300 -0.042 0.000 1.114 217 M CB -0.176 32.283 32.600 -0.236 0.000 1.387 217 M HN 0.190 nan 8.290 nan 0.000 0.420 218 E N -0.180 119.999 120.200 -0.035 0.000 2.065 218 E HA -0.282 4.068 4.350 0.001 0.000 0.201 218 E C 1.484 177.980 176.600 -0.172 0.000 1.016 218 E CA 2.018 58.397 56.400 -0.035 0.000 0.818 218 E CB -0.186 29.555 29.700 0.068 0.000 0.749 218 E HN 0.562 nan 8.360 nan 0.000 0.453 219 N N -0.491 118.040 118.700 -0.281 0.000 2.300 219 N HA -0.118 4.622 4.740 0.001 0.000 0.179 219 N C 1.247 176.474 175.510 -0.472 0.000 1.016 219 N CA 1.049 53.650 53.050 -0.749 0.000 0.876 219 N CB -0.517 37.350 38.487 -1.034 0.000 0.979 219 N HN 0.379 nan 8.380 nan 0.000 0.432 220 W N 1.959 123.146 121.300 -0.188 0.000 2.380 220 W HA -0.026 4.635 4.660 0.001 0.000 0.317 220 W C 2.345 178.873 176.519 0.015 0.000 1.196 220 W CA 1.178 58.533 57.345 0.018 0.000 1.307 220 W CB -0.351 29.132 29.460 0.039 0.000 1.157 220 W HN -0.102 nan 8.180 nan 0.000 0.483 221 M N 0.912 120.613 119.600 0.169 0.000 2.082 221 M HA -0.201 4.279 4.480 0.001 0.000 0.258 221 M C 1.972 178.263 176.300 -0.014 0.000 1.069 221 M CA 2.759 58.056 55.300 -0.005 0.000 1.102 221 M CB -1.353 31.248 32.600 0.001 0.000 1.336 221 M HN 0.114 nan 8.290 nan 0.000 0.404 222 V N -2.283 117.588 119.914 -0.070 0.000 2.379 222 V HA -0.189 3.931 4.120 0.001 0.000 0.245 222 V C 2.057 178.177 176.094 0.042 0.000 1.044 222 V CA 1.253 63.538 62.300 -0.025 0.000 1.036 222 V CB -1.554 30.189 31.823 -0.133 0.000 0.664 222 V HN 0.514 nan 8.190 nan 0.000 0.453 223 W N 0.455 121.720 121.300 -0.058 0.000 2.402 223 W HA 0.076 4.737 4.660 0.001 0.000 0.286 223 W C 2.624 179.023 176.519 -0.200 0.000 1.221 223 W CA 1.091 58.376 57.345 -0.101 0.000 1.257 223 W CB -1.108 28.294 29.460 -0.096 0.000 1.120 223 W HN 0.208 nan 8.180 nan 0.000 0.551 224 V N 0.896 120.721 119.914 -0.149 0.000 2.307 224 V HA -0.296 3.824 4.120 0.001 0.000 0.245 224 V C 2.420 178.367 176.094 -0.245 0.000 1.045 224 V CA 2.126 64.213 62.300 -0.356 0.000 1.024 224 V CB -0.932 30.416 31.823 -0.792 0.000 0.651 224 V HN 0.250 nan 8.190 nan 0.000 0.449 225 N N 0.203 118.879 118.700 -0.039 0.000 2.104 225 N HA -0.240 4.500 4.740 0.001 0.000 0.190 225 N C 1.553 177.097 175.510 0.057 0.000 1.024 225 N CA 1.886 54.946 53.050 0.016 0.000 0.853 225 N CB -0.160 38.529 38.487 0.338 0.000 1.008 225 N HN 0.456 nan 8.380 nan 0.000 0.424 226 D N 0.891 121.361 120.400 0.117 0.000 2.117 226 D HA -0.151 4.489 4.640 0.001 0.000 0.197 226 D C 2.036 178.438 176.300 0.171 0.000 0.987 226 D CA 0.571 54.672 54.000 0.168 0.000 0.829 226 D CB -0.196 40.718 40.800 0.190 0.000 0.961 226 D HN 0.272 nan 8.370 nan 0.000 0.460 227 L N 0.612 121.876 121.223 0.069 0.000 2.027 227 L HA -0.118 4.223 4.340 0.001 0.000 0.206 227 L C 2.206 179.214 176.870 0.229 0.000 1.074 227 L CA 1.406 56.292 54.840 0.077 0.000 0.745 227 L CB -0.387 41.611 42.059 -0.101 0.000 0.898 227 L HN -0.077 nan 8.230 nan 0.000 0.433 228 M N -1.433 118.177 119.600 0.018 0.000 2.175 228 M HA -0.095 4.385 4.480 0.001 0.000 0.264 228 M C 2.270 178.701 176.300 0.219 0.000 1.063 228 M CA 1.244 56.571 55.300 0.044 0.000 1.119 228 M CB -1.235 31.079 32.600 -0.475 0.000 1.377 228 M HN 0.247 nan 8.290 nan 0.000 0.415 229 S N 0.342 116.178 115.700 0.227 0.000 2.489 229 S HA -0.040 4.430 4.470 0.001 0.000 0.228 229 S C 1.516 176.316 174.600 0.333 0.000 0.995 229 S CA 0.226 58.651 58.200 0.375 0.000 0.934 229 S CB -0.490 62.933 63.200 0.372 0.000 0.771 229 S HN 0.364 nan 8.310 nan 0.000 0.522 230 F N 1.472 121.568 119.950 0.243 0.000 2.236 230 F HA -0.199 4.328 4.527 0.001 0.000 0.302 230 F C 1.861 177.827 175.800 0.276 0.000 1.073 230 F CA 1.098 59.266 58.000 0.279 0.000 1.336 230 F CB -0.389 38.817 39.000 0.343 0.000 1.040 230 F HN 0.302 nan 8.300 nan 0.000 0.507 231 Y N 1.784 122.028 120.300 -0.093 0.000 2.206 231 Y HA -0.118 4.433 4.550 0.001 0.000 0.292 231 Y C 2.496 178.164 175.900 -0.387 0.000 1.123 231 Y CA 2.206 59.971 58.100 -0.559 0.000 1.142 231 Y CB -0.860 37.149 38.460 -0.751 0.000 1.006 231 Y HN 0.184 nan 8.280 nan 0.000 0.518 232 K N -0.029 120.148 120.400 -0.373 0.000 2.283 232 K HA -0.141 4.180 4.320 0.001 0.000 0.202 232 K C 1.331 177.760 176.600 -0.285 0.000 1.048 232 K CA 2.055 58.103 56.287 -0.398 0.000 0.948 232 K CB -0.291 32.105 32.500 -0.173 0.000 0.742 232 K HN 0.402 nan 8.250 nan 0.000 0.458 233 E N -0.314 119.779 120.200 -0.178 0.000 2.472 233 E HA 0.015 4.365 4.350 0.001 0.000 0.196 233 E C 1.124 177.624 176.600 -0.166 0.000 1.033 233 E CA -0.215 56.110 56.400 -0.124 0.000 0.886 233 E CB -0.042 29.649 29.700 -0.015 0.000 0.944 233 E HN 0.244 nan 8.360 nan 0.000 0.492 234 F N 2.114 121.812 119.950 -0.420 0.000 2.065 234 F HA -0.241 4.286 4.527 0.001 0.000 0.298 234 F C 1.536 177.202 175.800 -0.224 0.000 1.112 234 F CA 1.681 59.446 58.000 -0.392 0.000 1.212 234 F CB 0.303 39.058 39.000 -0.407 0.000 0.975 234 F HN -0.065 nan 8.300 nan 0.000 0.476 235 D N -0.735 119.560 120.400 -0.175 0.000 2.369 235 D HA 0.008 4.648 4.640 0.001 0.000 0.211 235 D C -0.242 175.960 176.300 -0.163 0.000 1.077 235 D CA 0.165 54.053 54.000 -0.185 0.000 0.842 235 D CB -0.401 40.349 40.800 -0.082 0.000 0.947 235 D HN 0.251 nan 8.370 nan 0.000 0.509 236 D N 1.315 121.618 120.400 -0.163 0.000 2.416 236 D HA -0.005 4.635 4.640 0.001 0.000 0.240 236 D C 1.019 177.256 176.300 -0.104 0.000 1.250 236 D CA 0.177 54.102 54.000 -0.126 0.000 0.967 236 D CB 0.350 41.079 40.800 -0.119 0.000 1.059 236 D HN 0.019 nan 8.370 nan 0.000 0.512 237 E N 2.237 122.381 120.200 -0.092 0.000 2.463 237 E HA -0.141 4.209 4.350 0.001 0.000 0.201 237 E C 1.504 178.072 176.600 -0.055 0.000 1.045 237 E CA 0.422 56.778 56.400 -0.074 0.000 0.872 237 E CB 0.337 29.999 29.700 -0.064 0.000 0.797 237 E HN 0.471 nan 8.360 nan 0.000 0.538 238 R N 0.835 121.302 120.500 -0.055 0.000 2.080 238 R HA -0.033 4.308 4.340 0.001 0.000 0.222 238 R C 0.703 176.983 176.300 -0.034 0.000 1.107 238 R CA 0.585 56.660 56.100 -0.043 0.000 0.980 238 R CB 0.056 30.328 30.300 -0.046 0.000 0.879 238 R HN 0.007 nan 8.270 nan 0.000 0.439 239 D N 0.716 121.093 120.400 -0.039 0.000 2.344 239 D HA -0.020 4.620 4.640 0.001 0.000 0.253 239 D C 0.313 176.602 176.300 -0.018 0.000 1.255 239 D CA 0.315 54.301 54.000 -0.023 0.000 0.894 239 D CB 0.875 41.661 40.800 -0.025 0.000 1.067 239 D HN 0.060 nan 8.370 nan 0.000 0.492 240 Q N 2.719 122.517 119.800 -0.003 0.000 2.280 240 Q HA 0.214 4.555 4.340 0.001 0.000 0.228 240 Q C 0.444 176.454 176.000 0.018 0.000 0.857 240 Q CA 0.165 55.970 55.803 0.003 0.000 0.939 240 Q CB 0.790 29.531 28.738 0.006 0.000 1.114 240 Q HN 0.705 nan 8.270 nan 0.000 0.514 241 I N -1.253 119.332 120.570 0.026 0.000 2.976 241 I HA 0.415 4.585 4.170 0.001 0.000 0.328 241 I C -0.009 176.123 176.117 0.023 0.000 1.396 241 I CA -0.810 60.510 61.300 0.032 0.000 0.869 241 I CB 0.611 38.645 38.000 0.056 0.000 2.156 241 I HN -0.147 nan 8.210 nan 0.000 0.595 242 S N 0.923 116.641 115.700 0.029 0.000 2.645 242 S HA 0.319 4.789 4.470 0.001 0.000 0.266 242 S C 0.967 175.555 174.600 -0.020 0.000 1.258 242 S CA -0.708 57.513 58.200 0.034 0.000 0.990 242 S CB 2.077 65.329 63.200 0.088 0.000 0.967 242 S HN 0.502 nan 8.310 nan 0.000 0.556 243 L N 1.630 122.821 121.223 -0.054 0.000 2.012 243 L HA -0.069 4.271 4.340 0.001 0.000 0.210 243 L C 2.302 178.967 176.870 -0.342 0.000 1.073 243 L CA 1.786 56.486 54.840 -0.233 0.000 0.748 243 L CB -1.007 40.954 42.059 -0.163 0.000 0.891 243 L HN 0.691 nan 8.230 nan 0.000 0.431 244 V N -0.350 119.529 119.914 -0.059 0.000 2.358 244 V HA -0.277 3.843 4.120 0.001 0.000 0.246 244 V C 2.583 178.759 176.094 0.137 0.000 1.047 244 V CA 2.030 64.399 62.300 0.114 0.000 1.035 244 V CB -0.731 31.229 31.823 0.230 0.000 0.658 244 V HN 0.455 nan 8.190 nan 0.000 0.452 245 K N 0.217 120.678 120.400 0.103 0.000 2.148 245 K HA -0.136 4.185 4.320 0.001 0.000 0.204 245 K C 1.972 178.610 176.600 0.063 0.000 1.050 245 K CA 1.415 57.756 56.287 0.089 0.000 0.942 245 K CB -0.269 32.267 32.500 0.061 0.000 0.724 245 K HN 0.436 nan 8.250 nan 0.000 0.446 246 N N 0.211 118.920 118.700 0.014 0.000 2.270 246 N HA -0.119 4.622 4.740 0.001 0.000 0.181 246 N C 1.612 177.185 175.510 0.106 0.000 1.016 246 N CA 1.016 54.081 53.050 0.025 0.000 0.870 246 N CB -0.303 38.178 38.487 -0.010 0.000 0.979 246 N HN 0.173 nan 8.380 nan 0.000 0.431 247 Y N 1.412 121.748 120.300 0.061 0.000 2.128 247 Y HA -0.108 4.442 4.550 0.001 0.000 0.284 247 Y C 2.492 178.411 175.900 0.032 0.000 1.154 247 Y CA 0.316 58.439 58.100 0.039 0.000 1.149 247 Y CB -0.932 37.535 38.460 0.011 0.000 0.976 247 Y HN -0.184 nan 8.280 nan 0.000 0.505 248 V N -0.977 119.066 119.914 0.215 0.000 2.282 248 V HA -0.310 3.811 4.120 0.001 0.000 0.249 248 V C 2.316 178.471 176.094 0.102 0.000 1.057 248 V CA 1.883 64.262 62.300 0.131 0.000 1.032 248 V CB -1.106 30.786 31.823 0.114 0.000 0.645 248 V HN 0.226 nan 8.190 nan 0.000 0.447 249 V N -0.601 119.366 119.914 0.089 0.000 2.323 249 V HA -0.169 3.952 4.120 0.001 0.000 0.244 249 V C 2.490 178.632 176.094 0.080 0.000 1.041 249 V CA 2.205 64.540 62.300 0.059 0.000 1.025 249 V CB -0.494 31.331 31.823 0.004 0.000 0.656 249 V HN 0.527 nan 8.190 nan 0.000 0.451 250 S N -0.016 115.750 115.700 0.110 0.000 2.387 250 S HA -0.133 4.338 4.470 0.001 0.000 0.226 250 S C 1.495 176.252 174.600 0.262 0.000 1.026 250 S CA 1.324 59.627 58.200 0.171 0.000 0.972 250 S CB -0.226 63.109 63.200 0.226 0.000 0.814 250 S HN 0.605 nan 8.310 nan 0.000 0.477 251 D N 0.656 121.166 120.400 0.183 0.000 2.360 251 D HA 0.106 4.746 4.640 0.001 0.000 0.210 251 D C -0.190 176.146 176.300 0.060 0.000 1.047 251 D CA 0.117 54.143 54.000 0.043 0.000 0.854 251 D CB -0.102 40.610 40.800 -0.147 0.000 0.936 251 D HN 0.420 nan 8.370 nan 0.000 0.514 252 E N 0.602 120.859 120.200 0.094 0.000 2.240 252 E HA -0.197 4.153 4.350 0.001 0.000 0.194 252 E C 0.085 176.712 176.600 0.044 0.000 1.385 252 E CA 0.200 56.646 56.400 0.076 0.000 0.686 252 E CB -1.823 27.932 29.700 0.092 0.000 1.125 252 E HN 0.543 nan 8.360 nan 0.000 0.359 253 I N -3.361 117.231 120.570 0.037 0.000 3.239 253 I HA 0.625 4.795 4.170 0.001 0.000 0.314 253 I C 0.491 176.637 176.117 0.048 0.000 1.126 253 I CA -1.161 60.151 61.300 0.020 0.000 0.973 253 I CB 1.978 39.963 38.000 -0.026 0.000 1.252 253 I HN 0.042 nan 8.210 nan 0.000 0.463 254 S N 1.611 117.344 115.700 0.055 0.000 2.603 254 S HA 0.212 4.682 4.470 0.001 0.000 0.268 254 S C 0.767 175.435 174.600 0.113 0.000 1.317 254 S CA -0.643 57.611 58.200 0.090 0.000 1.012 254 S CB 1.571 64.839 63.200 0.114 0.000 0.926 254 S HN 0.770 nan 8.310 nan 0.000 0.539 255 L N 0.995 122.309 121.223 0.151 0.000 2.127 255 L HA -0.075 4.266 4.340 0.001 0.000 0.211 255 L C 2.316 179.312 176.870 0.209 0.000 1.089 255 L CA 2.320 57.279 54.840 0.198 0.000 0.757 255 L CB -1.428 40.776 42.059 0.242 0.000 0.899 255 L HN 1.044 nan 8.230 nan 0.000 0.434 256 H N -0.289 118.857 119.070 0.128 0.000 2.353 256 H HA -0.124 4.432 4.556 0.001 0.000 0.300 256 H C 2.036 177.394 175.328 0.049 0.000 1.090 256 H CA 2.250 58.360 56.048 0.102 0.000 1.327 256 H CB 0.043 29.841 29.762 0.060 0.000 1.383 256 H HN 0.537 nan 8.280 nan 0.000 0.508 257 E N -0.175 119.959 120.200 -0.110 0.000 2.106 257 E HA -0.095 4.255 4.350 0.001 0.000 0.192 257 E C 2.359 178.850 176.600 -0.182 0.000 0.984 257 E CA 0.668 56.953 56.400 -0.191 0.000 0.806 257 E CB -0.101 29.552 29.700 -0.079 0.000 0.750 257 E HN 0.610 nan 8.360 nan 0.000 0.458 258 A N 1.345 124.118 122.820 -0.078 0.000 1.902 258 A HA -0.154 4.166 4.320 0.001 0.000 0.217 258 A C 2.161 179.712 177.584 -0.056 0.000 1.181 258 A CA 0.961 52.983 52.037 -0.024 0.000 0.623 258 A CB -0.428 18.664 19.000 0.153 0.000 0.818 258 A HN 0.222 nan 8.150 nan 0.000 0.443 259 L N 0.049 121.205 121.223 -0.111 0.000 2.093 259 L HA -0.080 4.260 4.340 0.001 0.000 0.208 259 L C 2.067 178.815 176.870 -0.204 0.000 1.085 259 L CA 2.185 56.880 54.840 -0.242 0.000 0.755 259 L CB -0.706 41.169 42.059 -0.306 0.000 0.904 259 L HN 0.509 nan 8.230 nan 0.000 0.435 260 E N -0.418 119.662 120.200 -0.201 0.000 2.077 260 E HA -0.297 4.054 4.350 0.001 0.000 0.193 260 E C 2.138 178.625 176.600 -0.187 0.000 0.989 260 E CA 1.486 57.789 56.400 -0.162 0.000 0.800 260 E CB -0.106 29.423 29.700 -0.286 0.000 0.746 260 E HN 0.459 nan 8.360 nan 0.000 0.452 261 K N 0.730 120.982 120.400 -0.247 0.000 2.032 261 K HA -0.203 4.118 4.320 0.001 0.000 0.209 261 K C 2.258 178.670 176.600 -0.314 0.000 1.048 261 K CA 1.011 57.110 56.287 -0.313 0.000 0.927 261 K CB -0.136 32.068 32.500 -0.494 0.000 0.712 261 K HN 0.021 nan 8.250 nan 0.000 0.441 262 L N 1.268 122.345 121.223 -0.243 0.000 2.017 262 L HA -0.186 4.154 4.340 0.001 0.000 0.208 262 L C 2.357 179.037 176.870 -0.316 0.000 1.073 262 L CA 2.658 57.337 54.840 -0.268 0.000 0.745 262 L CB -1.125 40.841 42.059 -0.155 0.000 0.894 262 L HN 0.478 nan 8.230 nan 0.000 0.432 263 T N -3.423 110.973 114.554 -0.263 0.000 2.746 263 T HA -0.260 4.091 4.350 0.001 0.000 0.267 263 T C 1.853 176.436 174.700 -0.195 0.000 1.039 263 T CA 1.342 63.296 62.100 -0.243 0.000 1.142 263 T CB -0.561 68.167 68.868 -0.234 0.000 0.866 263 T HN 0.395 nan 8.240 nan 0.000 0.444 264 Q N 1.585 121.279 119.800 -0.176 0.000 2.061 264 Q HA -0.153 4.187 4.340 0.001 0.000 0.204 264 Q C 2.011 177.931 176.000 -0.133 0.000 0.984 264 Q CA 2.167 57.892 55.803 -0.129 0.000 0.846 264 Q CB -0.663 27.997 28.738 -0.130 0.000 0.902 264 Q HN 0.555 nan 8.270 nan 0.000 0.421 265 D N -1.143 119.067 120.400 -0.316 0.000 2.117 265 D HA -0.112 4.529 4.640 0.001 0.000 0.197 265 D C 1.729 177.875 176.300 -0.257 0.000 0.987 265 D CA 1.724 55.422 54.000 -0.502 0.000 0.829 265 D CB -0.238 39.742 40.800 -1.368 0.000 0.961 265 D HN 0.320 nan 8.370 nan 0.000 0.460 266 T N 1.425 115.846 114.554 -0.223 0.000 2.708 266 T HA -0.071 4.280 4.350 0.001 0.000 0.266 266 T C 2.285 177.017 174.700 0.053 0.000 1.037 266 T CA 0.592 62.679 62.100 -0.020 0.000 1.146 266 T CB -0.274 68.513 68.868 -0.135 0.000 0.865 266 T HN 0.105 nan 8.240 nan 0.000 0.435 267 L N -0.008 121.196 121.223 -0.032 0.000 2.017 267 L HA -0.132 4.208 4.340 0.001 0.000 0.208 267 L C 2.583 179.604 176.870 0.251 0.000 1.073 267 L CA 1.729 56.547 54.840 -0.037 0.000 0.745 267 L CB -0.720 41.237 42.059 -0.169 0.000 0.894 267 L HN 0.463 nan 8.230 nan 0.000 0.432 268 H N -0.976 118.169 119.070 0.126 0.000 2.352 268 H HA -0.210 4.346 4.556 0.001 0.000 0.299 268 H C 2.569 178.051 175.328 0.257 0.000 1.097 268 H CA 1.318 57.475 56.048 0.182 0.000 1.311 268 H CB 0.353 30.181 29.762 0.110 0.000 1.377 268 H HN 0.236 nan 8.280 nan 0.000 0.504 269 S N -0.526 115.374 115.700 0.334 0.000 2.382 269 S HA -0.143 4.327 4.470 0.001 0.000 0.228 269 S C 2.277 177.157 174.600 0.466 0.000 1.027 269 S CA 1.407 59.833 58.200 0.377 0.000 0.991 269 S CB -0.205 63.340 63.200 0.575 0.000 0.823 269 S HN 0.482 nan 8.310 nan 0.000 0.469 270 S N 1.356 117.377 115.700 0.535 0.000 2.348 270 S HA -0.054 4.416 4.470 0.001 0.000 0.221 270 S C 1.891 176.736 174.600 0.408 0.000 1.033 270 S CA 1.083 59.607 58.200 0.541 0.000 1.010 270 S CB -0.345 63.180 63.200 0.542 0.000 0.891 270 S HN 0.518 nan 8.310 nan 0.000 0.442 271 K N 0.787 121.468 120.400 0.468 0.000 1.991 271 K HA -0.115 4.205 4.320 0.001 0.000 0.212 271 K C 2.402 179.134 176.600 0.221 0.000 1.049 271 K CA 1.305 57.787 56.287 0.325 0.000 0.932 271 K CB -0.207 32.488 32.500 0.325 0.000 0.717 271 K HN 0.221 nan 8.250 nan 0.000 0.441 272 Q N 0.179 120.122 119.800 0.239 0.000 2.226 272 Q HA -0.162 4.179 4.340 0.001 0.000 0.204 272 Q C 1.959 178.027 176.000 0.114 0.000 0.975 272 Q CA 1.134 57.024 55.803 0.145 0.000 0.866 272 Q CB -0.307 28.489 28.738 0.098 0.000 0.915 272 Q HN 0.285 nan 8.270 nan 0.000 0.440 273 M N 0.084 119.784 119.600 0.166 0.000 2.067 273 M HA -0.127 4.354 4.480 0.001 0.000 0.260 273 M C 1.928 178.357 176.300 0.215 0.000 1.069 273 M CA 1.410 56.827 55.300 0.194 0.000 1.117 273 M CB -0.504 32.119 32.600 0.038 0.000 1.334 273 M HN -0.018 nan 8.290 nan 0.000 0.407 274 V N 0.569 120.564 119.914 0.136 0.000 2.270 274 V HA -0.214 3.906 4.120 0.001 0.000 0.245 274 V C 2.565 178.700 176.094 0.069 0.000 1.043 274 V CA 1.877 64.243 62.300 0.109 0.000 1.014 274 V CB -1.915 29.965 31.823 0.094 0.000 0.645 274 V HN 0.642 nan 8.190 nan 0.000 0.447 275 A N -0.455 122.391 122.820 0.044 0.000 2.084 275 A HA -0.152 4.168 4.320 0.001 0.000 0.221 275 A C 2.264 179.805 177.584 -0.071 0.000 1.161 275 A CA 2.177 54.214 52.037 0.000 0.000 0.653 275 A CB -0.513 18.498 19.000 0.017 0.000 0.802 275 A HN 0.400 nan 8.150 nan 0.000 0.457 276 V N -2.634 117.186 119.914 -0.156 0.000 2.949 276 V HA 0.026 4.146 4.120 0.001 0.000 0.245 276 V C 1.649 177.397 176.094 -0.577 0.000 1.086 276 V CA 1.093 63.142 62.300 -0.417 0.000 1.097 276 V CB -0.563 30.865 31.823 -0.659 0.000 0.762 276 V HN 0.538 nan 8.190 nan 0.000 0.470 277 F N -0.282 119.658 119.950 -0.017 0.000 2.721 277 F HA 0.190 4.717 4.527 0.001 0.000 0.301 277 F C 2.335 178.129 175.800 -0.009 0.000 1.096 277 F CA 0.229 58.218 58.000 -0.019 0.000 1.308 277 F CB -0.379 38.604 39.000 -0.029 0.000 1.086 277 F HN -0.059 nan 8.300 nan 0.000 0.587 278 S N 0.099 115.860 115.700 0.101 0.000 2.359 278 S HA -0.200 4.270 4.470 0.001 0.000 0.223 278 S C 1.274 175.907 174.600 0.054 0.000 1.039 278 S CA 1.822 60.065 58.200 0.072 0.000 1.042 278 S CB -0.521 62.704 63.200 0.042 0.000 0.915 278 S HN 0.510 nan 8.310 nan 0.000 0.439 279 D N 0.867 121.282 120.400 0.024 0.000 3.060 279 D HA 0.328 4.968 4.640 0.001 0.000 0.245 279 D C -0.042 176.269 176.300 0.018 0.000 1.274 279 D CA -0.055 53.954 54.000 0.016 0.000 0.864 279 D CB 0.147 40.945 40.800 -0.003 0.000 1.073 279 D HN 0.051 nan 8.370 nan 0.000 0.473 280 K N 0.064 120.496 120.400 0.054 0.000 2.349 280 K HA 0.221 4.542 4.320 0.001 0.000 0.243 280 K C -0.534 176.115 176.600 0.081 0.000 1.058 280 K CA -0.915 55.412 56.287 0.067 0.000 0.871 280 K CB 1.123 33.696 32.500 0.122 0.000 1.337 280 K HN -0.101 nan 8.250 nan 0.000 0.469 281 D N 1.414 121.860 120.400 0.078 0.000 2.752 281 D HA -0.090 4.551 4.640 0.001 0.000 0.225 281 D C -1.648 174.712 176.300 0.100 0.000 1.104 281 D CA -0.477 53.571 54.000 0.079 0.000 0.832 281 D CB 0.818 41.671 40.800 0.088 0.000 1.161 281 D HN 0.121 nan 8.370 nan 0.000 0.505 282 P HA -0.183 nan 4.420 nan 0.000 0.215 282 P C 1.374 178.732 177.300 0.097 0.000 1.157 282 P CA 1.432 64.574 63.100 0.071 0.000 0.874 282 P CB 0.082 31.807 31.700 0.041 0.000 0.790 283 Q N -0.320 119.547 119.800 0.112 0.000 2.084 283 Q HA -0.138 4.202 4.340 0.001 0.000 0.202 283 Q C 1.936 178.150 176.000 0.357 0.000 0.978 283 Q CA 1.547 57.449 55.803 0.164 0.000 0.844 283 Q CB -0.487 28.282 28.738 0.052 0.000 0.898 283 Q HN 0.004 nan 8.270 nan 0.000 0.426 284 V N 0.846 121.001 119.914 0.402 0.000 2.261 284 V HA -0.297 3.823 4.120 0.001 0.000 0.246 284 V C 2.368 178.595 176.094 0.222 0.000 1.047 284 V CA 1.961 64.508 62.300 0.411 0.000 1.015 284 V CB -0.573 31.345 31.823 0.158 0.000 0.642 284 V HN 0.518 nan 8.190 nan 0.000 0.446 285 M N 0.777 120.465 119.600 0.146 0.000 2.213 285 M HA -0.165 4.315 4.480 0.001 0.000 0.263 285 M C 1.614 177.926 176.300 0.019 0.000 1.062 285 M CA 2.057 57.403 55.300 0.077 0.000 1.105 285 M CB -0.740 31.923 32.600 0.106 0.000 1.385 285 M HN 0.404 nan 8.290 nan 0.000 0.417 286 D N -1.065 119.369 120.400 0.056 0.000 2.097 286 D HA -0.132 4.509 4.640 0.001 0.000 0.197 286 D C 1.624 177.905 176.300 -0.032 0.000 0.984 286 D CA 1.949 55.959 54.000 0.016 0.000 0.826 286 D CB -0.222 40.604 40.800 0.043 0.000 0.973 286 D HN 0.403 nan 8.370 nan 0.000 0.460 287 T N 0.165 114.724 114.554 0.009 0.000 2.720 287 T HA -0.108 4.243 4.350 0.001 0.000 0.268 287 T C 2.076 176.619 174.700 -0.263 0.000 1.037 287 T CA 1.046 63.059 62.100 -0.144 0.000 1.144 287 T CB -0.258 68.446 68.868 -0.273 0.000 0.864 287 T HN 0.197 nan 8.240 nan 0.000 0.444 288 I N 0.556 120.983 120.570 -0.239 0.000 2.252 288 I HA -0.143 4.027 4.170 0.001 0.000 0.245 288 I C 2.700 178.638 176.117 -0.300 0.000 1.102 288 I CA 1.298 62.403 61.300 -0.325 0.000 1.385 288 I CB -0.329 37.424 38.000 -0.411 0.000 1.064 288 I HN 0.250 nan 8.210 nan 0.000 0.414 289 E N 0.696 120.740 120.200 -0.260 0.000 2.031 289 E HA -0.227 4.123 4.350 0.001 0.000 0.193 289 E C 2.292 178.618 176.600 -0.457 0.000 0.994 289 E CA 1.869 58.046 56.400 -0.372 0.000 0.800 289 E CB -0.172 29.386 29.700 -0.236 0.000 0.752 289 E HN 0.454 nan 8.360 nan 0.000 0.447 290 C N 0.136 119.292 119.300 -0.239 0.000 2.422 290 C HA -0.053 4.407 4.460 0.001 0.000 0.279 290 C C 2.379 177.303 174.990 -0.111 0.000 1.305 290 C CA 0.565 59.501 59.018 -0.137 0.000 1.757 290 C CB -1.300 26.379 27.740 -0.102 0.000 1.962 290 C HN 0.531 nan 8.230 nan 0.000 0.499 291 F N 1.447 121.216 119.950 -0.301 0.000 2.075 291 F HA -0.164 4.363 4.527 0.001 0.000 0.297 291 F C 2.367 178.084 175.800 -0.138 0.000 1.113 291 F CA 1.805 59.615 58.000 -0.317 0.000 1.218 291 F CB -0.522 38.148 39.000 -0.550 0.000 0.984 291 F HN 0.097 nan 8.300 nan 0.000 0.472 292 M N -0.503 118.937 119.600 -0.267 0.000 2.082 292 M HA -0.285 4.195 4.480 0.001 0.000 0.258 292 M C 2.266 178.686 176.300 0.200 0.000 1.069 292 M CA 2.275 57.411 55.300 -0.273 0.000 1.102 292 M CB -1.103 31.111 32.600 -0.643 0.000 1.336 292 M HN 0.334 nan 8.290 nan 0.000 0.404 293 H N -1.148 117.991 119.070 0.115 0.000 2.333 293 H HA -0.041 4.515 4.556 0.001 0.000 0.302 293 H C 2.327 177.833 175.328 0.296 0.000 1.075 293 H CA 0.737 56.958 56.048 0.288 0.000 1.348 293 H CB -0.260 29.592 29.762 0.150 0.000 1.393 293 H HN 0.481 nan 8.280 nan 0.000 0.509 294 G N 0.232 109.197 108.800 0.276 0.000 2.421 294 G HA2 -0.335 3.626 3.960 0.001 0.000 0.216 294 G HA3 -0.335 3.626 3.960 0.001 0.000 0.216 294 G C 1.458 176.547 174.900 0.316 0.000 1.171 294 G CA 0.770 46.031 45.100 0.269 0.000 0.775 294 G HN 0.379 nan 8.290 nan 0.000 0.543 295 Y N 1.217 121.503 120.300 -0.024 0.000 2.114 295 Y HA -0.186 4.365 4.550 0.001 0.000 0.282 295 Y C 2.945 179.062 175.900 0.363 0.000 1.165 295 Y CA 1.643 59.775 58.100 0.052 0.000 1.148 295 Y CB -0.344 37.951 38.460 -0.275 0.000 0.972 295 Y HN 0.055 nan 8.280 nan 0.000 0.504 296 V N -0.986 119.140 119.914 0.353 0.000 2.307 296 V HA -0.315 3.805 4.120 0.001 0.000 0.245 296 V C 2.253 178.401 176.094 0.090 0.000 1.045 296 V CA 2.348 64.728 62.300 0.135 0.000 1.024 296 V CB -1.200 30.618 31.823 -0.008 0.000 0.651 296 V HN 0.430 nan 8.190 nan 0.000 0.449 297 T N -0.920 113.768 114.554 0.224 0.000 2.665 297 T HA -0.304 4.047 4.350 0.001 0.000 0.268 297 T C 1.442 176.285 174.700 0.239 0.000 1.035 297 T CA 2.214 64.459 62.100 0.242 0.000 1.151 297 T CB -0.469 68.612 68.868 0.355 0.000 0.862 297 T HN 0.719 nan 8.240 nan 0.000 0.438 298 W N 1.969 123.346 121.300 0.128 0.000 2.338 298 W HA -0.184 4.476 4.660 0.001 0.000 0.304 298 W C 2.247 178.687 176.519 -0.131 0.000 1.212 298 W CA 1.259 58.584 57.345 -0.033 0.000 1.264 298 W CB -0.685 28.691 29.460 -0.140 0.000 1.142 298 W HN 0.414 nan 8.180 nan 0.000 0.512 299 H N -0.287 118.535 119.070 -0.413 0.000 2.389 299 H HA -0.102 4.454 4.556 0.001 0.000 0.299 299 H C 2.252 177.388 175.328 -0.321 0.000 1.081 299 H CA 2.069 57.704 56.048 -0.688 0.000 1.345 299 H CB -0.540 28.823 29.762 -0.665 0.000 1.393 299 H HN 0.237 nan 8.280 nan 0.000 0.520 300 L N -0.555 120.620 121.223 -0.081 0.000 2.217 300 L HA -0.125 4.216 4.340 0.001 0.000 0.211 300 L C 2.435 179.211 176.870 -0.155 0.000 1.107 300 L CA 0.549 55.337 54.840 -0.086 0.000 0.783 300 L CB 0.018 41.952 42.059 -0.208 0.000 0.919 300 L HN 0.264 nan 8.230 nan 0.000 0.442 301 C N -1.614 117.604 119.300 -0.136 0.000 2.551 301 C HA 0.049 4.509 4.460 0.001 0.000 0.277 301 C C 1.170 176.120 174.990 -0.067 0.000 1.349 301 C CA -0.683 58.279 59.018 -0.092 0.000 1.750 301 C CB -0.336 27.411 27.740 0.013 0.000 2.058 301 C HN 0.354 nan 8.230 nan 0.000 0.518 302 D N 1.063 121.362 120.400 -0.167 0.000 2.348 302 D HA 0.060 4.701 4.640 0.001 0.000 0.253 302 D C 0.901 177.150 176.300 -0.085 0.000 1.161 302 D CA 0.015 53.916 54.000 -0.165 0.000 0.876 302 D CB 0.610 41.157 40.800 -0.422 0.000 1.160 302 D HN 0.356 nan 8.370 nan 0.000 0.459 303 R N 3.218 123.685 120.500 -0.054 0.000 2.200 303 R HA -0.169 4.171 4.340 0.001 0.000 0.234 303 R C 2.022 178.255 176.300 -0.112 0.000 1.127 303 R CA 0.819 56.895 56.100 -0.039 0.000 0.989 303 R CB 0.081 30.367 30.300 -0.024 0.000 0.869 303 R HN 0.489 nan 8.270 nan 0.000 0.459 304 K N 0.681 120.940 120.400 -0.235 0.000 2.020 304 K HA -0.209 4.111 4.320 0.001 0.000 0.212 304 K C 1.287 177.589 176.600 -0.496 0.000 1.050 304 K CA 1.708 57.736 56.287 -0.430 0.000 0.929 304 K CB -0.158 31.932 32.500 -0.683 0.000 0.714 304 K HN 0.153 nan 8.250 nan 0.000 0.443 305 Y N 0.440 120.666 120.300 -0.122 0.000 2.616 305 Y HA 0.079 4.630 4.550 0.001 0.000 0.296 305 Y C 0.429 176.358 175.900 0.048 0.000 1.154 305 Y CA 0.748 58.822 58.100 -0.044 0.000 1.325 305 Y CB -0.048 38.384 38.460 -0.047 0.000 1.007 305 Y HN 0.098 nan 8.280 nan 0.000 0.542 306 R N -0.538 120.028 120.500 0.110 0.000 3.610 306 R HA -0.251 4.089 4.340 0.001 0.000 0.274 306 R C 0.735 177.201 176.300 0.276 0.000 1.123 306 R CA 0.609 56.805 56.100 0.160 0.000 0.747 306 R CB -2.215 28.142 30.300 0.095 0.000 1.149 306 R HN 0.423 nan 8.270 nan 0.000 0.471 307 L N -0.106 121.288 121.223 0.286 0.000 2.362 307 L HA -0.136 4.204 4.340 0.001 0.000 0.219 307 L C 2.454 179.510 176.870 0.311 0.000 1.134 307 L CA 1.579 56.594 54.840 0.291 0.000 0.807 307 L CB -0.330 41.970 42.059 0.402 0.000 0.927 307 L HN 0.464 nan 8.230 nan 0.000 0.447 308 S N -0.825 115.065 115.700 0.317 0.000 2.442 308 S HA -0.197 4.273 4.470 0.001 0.000 0.236 308 S C 1.631 176.302 174.600 0.119 0.000 1.007 308 S CA 0.958 59.293 58.200 0.225 0.000 0.965 308 S CB -0.182 63.168 63.200 0.250 0.000 0.773 308 S HN 0.490 nan 8.310 nan 0.000 0.504 309 E N 0.892 121.148 120.200 0.095 0.000 2.106 309 E HA 0.011 4.361 4.350 0.001 0.000 0.192 309 E C 1.902 178.448 176.600 -0.089 0.000 0.984 309 E CA 1.323 57.743 56.400 0.033 0.000 0.806 309 E CB -0.257 29.517 29.700 0.123 0.000 0.750 309 E HN 0.607 nan 8.360 nan 0.000 0.458 310 I N 0.111 120.559 120.570 -0.204 0.000 2.353 310 I HA -0.242 3.929 4.170 0.001 0.000 0.248 310 I C 2.305 178.389 176.117 -0.054 0.000 1.119 310 I CA 0.810 61.947 61.300 -0.272 0.000 1.417 310 I CB -0.194 37.547 38.000 -0.431 0.000 1.078 310 I HN 0.173 nan 8.210 nan 0.000 0.421 311 Y N 2.097 122.373 120.300 -0.042 0.000 2.145 311 Y HA -0.297 4.253 4.550 0.001 0.000 0.286 311 Y C 2.359 178.193 175.900 -0.109 0.000 1.145 311 Y CA 1.858 59.917 58.100 -0.069 0.000 1.148 311 Y CB -0.179 37.835 38.460 -0.743 0.000 0.981 311 Y HN 0.046 nan 8.280 nan 0.000 0.507 312 E N 0.531 120.661 120.200 -0.116 0.000 2.409 312 E HA -0.139 4.212 4.350 0.001 0.000 0.198 312 E C 1.953 178.461 176.600 -0.154 0.000 1.024 312 E CA 0.879 57.190 56.400 -0.149 0.000 0.861 312 E CB -0.159 29.544 29.700 0.006 0.000 0.788 312 E HN 0.547 nan 8.360 nan 0.000 0.521 313 K N -0.558 119.758 120.400 -0.140 0.000 2.168 313 K HA 0.001 4.321 4.320 0.001 0.000 0.201 313 K C 1.305 177.835 176.600 -0.117 0.000 1.049 313 K CA 1.124 57.345 56.287 -0.109 0.000 0.974 313 K CB 0.409 32.850 32.500 -0.099 0.000 0.792 313 K HN 0.147 nan 8.250 nan 0.000 0.463 314 V N -0.991 118.843 119.914 -0.135 0.000 3.342 314 V HA 0.207 4.328 4.120 0.001 0.000 0.322 314 V C 1.451 177.458 176.094 -0.145 0.000 1.370 314 V CA -0.014 62.225 62.300 -0.101 0.000 1.170 314 V CB 0.084 31.872 31.823 -0.058 0.000 1.101 314 V HN 0.176 nan 8.190 nan 0.000 0.442 315 K N 1.358 121.595 120.400 -0.273 0.000 2.160 315 K HA -0.150 4.171 4.320 0.001 0.000 0.206 315 K C 1.500 177.987 176.600 -0.190 0.000 1.047 315 K CA 2.138 58.193 56.287 -0.387 0.000 0.930 315 K CB 0.099 32.319 32.500 -0.466 0.000 0.720 315 K HN 0.706 nan 8.250 nan 0.000 0.450 316 E N 0.235 120.363 120.200 -0.120 0.000 2.651 316 E HA 0.067 4.417 4.350 0.001 0.000 0.208 316 E C -0.945 175.630 176.600 -0.042 0.000 0.997 316 E CA -0.171 56.188 56.400 -0.068 0.000 1.020 316 E CB 0.832 30.498 29.700 -0.056 0.000 1.052 316 E HN 0.307 nan 8.360 nan 0.000 0.465 317 E N 0.804 120.982 120.200 -0.037 0.000 2.349 317 E HA 0.166 4.516 4.350 0.001 0.000 0.265 317 E C 0.400 176.997 176.600 -0.005 0.000 1.064 317 E CA -0.088 56.301 56.400 -0.018 0.000 0.886 317 E CB 1.084 30.776 29.700 -0.013 0.000 1.036 317 E HN -0.016 nan 8.360 nan 0.000 0.413 318 K N 0.706 121.106 120.400 -0.000 0.000 2.387 318 K HA 0.098 4.418 4.320 0.001 0.000 0.198 318 K C 0.011 176.619 176.600 0.013 0.000 1.022 318 K CA 0.066 56.356 56.287 0.005 0.000 1.128 318 K CB 0.404 32.905 32.500 0.003 0.000 0.853 318 K HN 0.393 nan 8.250 nan 0.000 0.523 319 T N 1.531 116.095 114.554 0.017 0.000 2.900 319 T HA -0.045 4.305 4.350 0.001 0.000 0.307 319 T C 1.287 176.009 174.700 0.037 0.000 1.065 319 T CA 0.034 62.149 62.100 0.025 0.000 1.105 319 T CB 1.470 70.354 68.868 0.026 0.000 0.979 319 T HN 0.264 nan 8.240 nan 0.000 0.544 320 E N 1.204 121.428 120.200 0.040 0.000 2.072 320 E HA -0.176 4.174 4.350 0.001 0.000 0.191 320 E C 1.158 177.801 176.600 0.073 0.000 0.985 320 E CA 1.108 57.537 56.400 0.048 0.000 0.801 320 E CB 0.128 29.856 29.700 0.046 0.000 0.750 320 E HN 0.582 nan 8.360 nan 0.000 0.452 321 D N 0.532 120.980 120.400 0.080 0.000 2.077 321 D HA -0.175 4.466 4.640 0.001 0.000 0.193 321 D C 1.954 178.346 176.300 0.154 0.000 0.989 321 D CA 1.473 55.540 54.000 0.113 0.000 0.831 321 D CB -0.492 40.357 40.800 0.082 0.000 0.979 321 D HN 0.279 nan 8.370 nan 0.000 0.449 322 A N 1.113 124.001 122.820 0.113 0.000 1.927 322 A HA -0.304 4.017 4.320 0.001 0.000 0.220 322 A C 2.156 179.850 177.584 0.185 0.000 1.185 322 A CA 2.042 54.160 52.037 0.136 0.000 0.639 322 A CB -0.827 18.209 19.000 0.059 0.000 0.820 322 A HN 0.311 nan 8.150 nan 0.000 0.451 323 Q N -0.947 118.922 119.800 0.116 0.000 2.083 323 Q HA -0.123 4.218 4.340 0.001 0.000 0.198 323 Q C 2.026 178.078 176.000 0.086 0.000 0.969 323 Q CA 1.221 57.075 55.803 0.086 0.000 0.838 323 Q CB -0.139 28.625 28.738 0.043 0.000 0.900 323 Q HN 0.480 nan 8.270 nan 0.000 0.436 324 K N 0.366 120.823 120.400 0.096 0.000 2.097 324 K HA -0.148 4.172 4.320 0.001 0.000 0.206 324 K C 1.834 178.521 176.600 0.146 0.000 1.049 324 K CA 0.948 57.257 56.287 0.036 0.000 0.933 324 K CB -0.418 32.144 32.500 0.103 0.000 0.717 324 K HN 0.178 nan 8.250 nan 0.000 0.442 325 F N 1.632 121.696 119.950 0.191 0.000 2.060 325 F HA -0.229 4.298 4.527 0.001 0.000 0.295 325 F C 2.292 178.292 175.800 0.333 0.000 1.120 325 F CA 1.269 59.453 58.000 0.308 0.000 1.205 325 F CB -0.683 38.446 39.000 0.215 0.000 0.986 325 F HN -0.045 nan 8.300 nan 0.000 0.470 326 C N 1.555 120.994 119.300 0.230 0.000 2.403 326 C HA -0.212 4.248 4.460 0.001 0.000 0.277 326 C C 2.737 177.833 174.990 0.177 0.000 1.248 326 C CA 1.448 60.611 59.018 0.241 0.000 1.762 326 C CB -1.247 26.627 27.740 0.222 0.000 2.014 326 C HN 0.477 nan 8.230 nan 0.000 0.486 327 K N -0.238 120.203 120.400 0.069 0.000 2.057 327 K HA -0.105 4.216 4.320 0.001 0.000 0.206 327 K C 1.775 178.386 176.600 0.019 0.000 1.050 327 K CA 1.373 57.658 56.287 -0.004 0.000 0.935 327 K CB -0.409 32.010 32.500 -0.135 0.000 0.715 327 K HN 0.382 nan 8.250 nan 0.000 0.439 328 F N 0.462 120.425 119.950 0.021 0.000 2.075 328 F HA -0.230 4.297 4.527 0.001 0.000 0.297 328 F C 2.478 178.258 175.800 -0.034 0.000 1.113 328 F CA 1.094 59.115 58.000 0.035 0.000 1.218 328 F CB -1.074 37.908 39.000 -0.030 0.000 0.984 328 F HN 0.050 nan 8.300 nan 0.000 0.472 329 Y N 1.112 121.315 120.300 -0.161 0.000 2.151 329 Y HA -0.283 4.267 4.550 0.001 0.000 0.284 329 Y C 2.286 178.072 175.900 -0.189 0.000 1.166 329 Y CA 2.133 60.054 58.100 -0.299 0.000 1.163 329 Y CB -0.647 37.479 38.460 -0.556 0.000 0.974 329 Y HN 0.190 nan 8.280 nan 0.000 0.511 330 E N -0.467 119.803 120.200 0.116 0.000 2.153 330 E HA -0.247 4.103 4.350 0.001 0.000 0.194 330 E C 2.199 178.808 176.600 0.016 0.000 0.988 330 E CA 1.308 57.743 56.400 0.059 0.000 0.811 330 E CB -0.131 29.631 29.700 0.103 0.000 0.746 330 E HN 0.653 nan 8.360 nan 0.000 0.466 331 Q N 0.066 119.903 119.800 0.062 0.000 2.046 331 Q HA -0.149 4.192 4.340 0.001 0.000 0.200 331 Q C 2.306 178.331 176.000 0.041 0.000 0.975 331 Q CA 1.264 57.107 55.803 0.067 0.000 0.836 331 Q CB -0.164 28.669 28.738 0.159 0.000 0.896 331 Q HN 0.258 nan 8.270 nan 0.000 0.428 332 A N 1.344 124.201 122.820 0.062 0.000 1.851 332 A HA -0.192 4.128 4.320 0.001 0.000 0.216 332 A C 2.347 179.871 177.584 -0.100 0.000 1.195 332 A CA 1.874 53.917 52.037 0.011 0.000 0.622 332 A CB -1.086 17.849 19.000 -0.109 0.000 0.831 332 A HN 0.421 nan 8.150 nan 0.000 0.444 333 A N 0.039 122.715 122.820 -0.240 0.000 1.948 333 A HA -0.281 4.039 4.320 0.001 0.000 0.220 333 A C 1.937 179.479 177.584 -0.070 0.000 1.177 333 A CA 2.392 54.316 52.037 -0.187 0.000 0.636 333 A CB -0.942 17.932 19.000 -0.211 0.000 0.815 333 A HN 0.680 nan 8.150 nan 0.000 0.449 334 N N -0.050 118.619 118.700 -0.053 0.000 2.061 334 N HA -0.171 4.570 4.740 0.001 0.000 0.193 334 N C 1.452 176.938 175.510 -0.040 0.000 1.030 334 N CA 2.783 55.815 53.050 -0.030 0.000 0.856 334 N CB -0.233 38.241 38.487 -0.022 0.000 1.023 334 N HN 0.487 nan 8.380 nan 0.000 0.424 335 V N -4.134 115.746 119.914 -0.057 0.000 3.565 335 V HA 0.516 4.636 4.120 0.001 0.000 0.260 335 V C 1.753 177.774 176.094 -0.122 0.000 1.231 335 V CA 1.003 63.241 62.300 -0.103 0.000 1.100 335 V CB 0.134 31.875 31.823 -0.136 0.000 0.807 335 V HN 0.234 nan 8.190 nan 0.000 0.454 336 G N 0.382 109.164 108.800 -0.031 0.000 2.559 336 G HA2 0.336 4.296 3.960 0.001 0.000 0.209 336 G HA3 0.336 4.296 3.960 0.001 0.000 0.209 336 G C 0.977 175.983 174.900 0.177 0.000 1.151 336 G CA 0.408 45.586 45.100 0.131 0.000 0.824 336 G HN 0.846 nan 8.290 nan 0.000 0.543 337 A N 0.793 123.654 122.820 0.068 0.000 2.507 337 A HA 0.486 4.807 4.320 0.001 0.000 0.281 337 A C -0.496 177.150 177.584 0.103 0.000 1.154 337 A CA 0.313 52.392 52.037 0.069 0.000 0.828 337 A CB -0.295 18.717 19.000 0.021 0.000 1.069 337 A HN 0.349 nan 8.150 nan 0.000 0.522 338 V N 2.867 122.878 119.914 0.162 0.000 2.638 338 V HA 0.366 4.486 4.120 0.001 0.000 0.306 338 V C 0.539 176.788 176.094 0.259 0.000 1.052 338 V CA -0.603 61.819 62.300 0.203 0.000 0.885 338 V CB 1.922 33.885 31.823 0.233 0.000 0.999 338 V HN 0.914 nan 8.190 nan 0.000 0.424 339 S N 5.214 121.035 115.700 0.201 0.000 2.533 339 S HA 0.207 4.677 4.470 0.001 0.000 0.282 339 S C -1.382 173.312 174.600 0.157 0.000 1.304 339 S CA -0.685 57.600 58.200 0.143 0.000 1.063 339 S CB 1.088 64.337 63.200 0.080 0.000 0.881 339 S HN 0.606 nan 8.310 nan 0.000 0.493 340 P HA -0.103 nan 4.420 nan 0.000 0.221 340 P C 1.454 178.467 177.300 -0.478 0.000 1.145 340 P CA 1.163 64.017 63.100 -0.411 0.000 0.795 340 P CB -0.044 31.446 31.700 -0.350 0.000 0.775 341 S N -0.923 114.675 115.700 -0.170 0.000 2.474 341 S HA -0.111 4.359 4.470 0.001 0.000 0.235 341 S C 1.667 176.287 174.600 0.034 0.000 0.997 341 S CA 0.842 58.988 58.200 -0.090 0.000 0.949 341 S CB -0.903 62.251 63.200 -0.078 0.000 0.766 341 S HN 0.255 nan 8.310 nan 0.000 0.517 342 E N -0.015 120.259 120.200 0.124 0.000 2.435 342 E HA 0.026 4.376 4.350 0.001 0.000 0.195 342 E C 1.373 178.285 176.600 0.520 0.000 1.029 342 E CA 0.871 57.442 56.400 0.286 0.000 0.865 342 E CB 0.014 29.894 29.700 0.300 0.000 0.833 342 E HN 0.974 nan 8.360 nan 0.000 0.510 343 W N -1.834 119.613 121.300 0.246 0.000 4.423 343 W HA 0.393 5.053 4.660 0.001 0.000 0.172 343 W C 0.264 176.646 176.519 -0.229 0.000 1.081 343 W CA -0.032 57.380 57.345 0.113 0.000 1.641 343 W CB -0.129 29.395 29.460 0.105 0.000 0.580 343 W HN -0.141 nan 8.180 nan 0.000 0.989 344 A N 2.746 124.903 122.820 -1.106 0.000 2.915 344 A HA 0.492 4.812 4.320 0.001 0.000 0.292 344 A C -1.084 175.951 177.584 -0.915 0.000 1.632 344 A CA 0.321 51.336 52.037 -1.703 0.000 1.337 344 A CB -1.808 15.973 19.000 -2.031 0.000 1.111 344 A HN 0.455 nan 8.150 nan 0.000 0.569 345 Y N -0.175 119.881 120.300 -0.408 0.000 2.565 345 Y HA 0.727 5.278 4.550 0.000 0.000 0.330 345 Y C -3.265 172.790 175.900 0.259 0.000 1.150 345 Y CA -2.820 55.265 58.100 -0.025 0.000 1.055 345 Y CB 0.637 39.065 38.460 -0.054 0.000 1.337 345 Y HN 0.269 nan 8.280 nan 0.000 0.457 346 P HA 0.357 nan 4.420 nan 0.000 0.279 346 P C -2.767 174.650 177.300 0.194 0.000 1.276 346 P CA -1.662 61.584 63.100 0.244 0.000 0.801 346 P CB 0.907 32.705 31.700 0.163 0.000 1.127 347 P HA -0.004 nan 4.420 nan 0.000 0.272 347 P C 1.294 178.629 177.300 0.057 0.000 1.223 347 P CA -0.089 63.073 63.100 0.104 0.000 0.784 347 P CB 0.530 32.252 31.700 0.037 0.000 0.923 348 V N 2.188 122.127 119.914 0.042 0.000 2.324 348 V HA -0.322 3.799 4.120 0.001 0.000 0.250 348 V C 2.658 178.730 176.094 -0.038 0.000 1.060 348 V CA 2.885 65.163 62.300 -0.038 0.000 1.042 348 V CB -1.815 29.985 31.823 -0.039 0.000 0.650 348 V HN 0.691 nan 8.190 nan 0.000 0.450 349 A N -0.562 122.247 122.820 -0.019 0.000 1.917 349 A HA -0.360 3.960 4.320 0.001 0.000 0.219 349 A C 2.295 179.867 177.584 -0.020 0.000 1.182 349 A CA 2.414 54.439 52.037 -0.020 0.000 0.633 349 A CB -0.604 18.387 19.000 -0.015 0.000 0.819 349 A HN 0.656 nan 8.150 nan 0.000 0.448 350 Q N -0.430 119.362 119.800 -0.014 0.000 2.084 350 Q HA -0.106 4.235 4.340 0.001 0.000 0.202 350 Q C 1.950 177.933 176.000 -0.028 0.000 0.978 350 Q CA 1.484 57.280 55.803 -0.011 0.000 0.844 350 Q CB -0.247 28.495 28.738 0.005 0.000 0.898 350 Q HN 0.668 nan 8.270 nan 0.000 0.426 351 L N 0.261 121.448 121.223 -0.060 0.000 2.201 351 L HA -0.116 4.224 4.340 0.001 0.000 0.212 351 L C 2.497 179.322 176.870 -0.074 0.000 1.105 351 L CA 0.778 55.554 54.840 -0.106 0.000 0.775 351 L CB -0.486 41.427 42.059 -0.243 0.000 0.913 351 L HN 0.325 nan 8.230 nan 0.000 0.440 352 A N -0.084 122.703 122.820 -0.056 0.000 1.968 352 A HA -0.224 4.096 4.320 0.001 0.000 0.217 352 A C 2.068 179.638 177.584 -0.024 0.000 1.169 352 A CA 1.788 53.802 52.037 -0.038 0.000 0.638 352 A CB -0.698 18.285 19.000 -0.029 0.000 0.812 352 A HN 0.528 nan 8.150 nan 0.000 0.446 353 N N -0.498 118.190 118.700 -0.020 0.000 2.216 353 N HA -0.056 4.684 4.740 0.001 0.000 0.183 353 N C 0.635 176.141 175.510 -0.008 0.000 1.017 353 N CA 0.617 53.660 53.050 -0.012 0.000 0.861 353 N CB -0.074 38.407 38.487 -0.009 0.000 0.986 353 N HN 0.245 nan 8.380 nan 0.000 0.428 354 V N 0.000 119.909 119.914 -0.008 0.000 2.409 354 V HA 0.000 4.120 4.120 0.001 0.000 0.244 354 V CA 0.000 62.300 62.300 0.000 0.000 1.235 354 V CB 0.000 31.826 31.823 0.005 0.000 1.184 354 V HN 0.000 nan 8.190 nan 0.000 0.556