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 1obi_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISLADLQRR IETGELSPNA AIAQSHAAIE AREKEVHAFV RHDKSARAQA DATA SEQUENCE SGPLRGIAVG IKDIIDTANM PTEMGSEIYR GWQPRSDAPV VMMLKRAGAT DATA SEQUENCE IIGKTTTTAF ASRDPTATLN PHNTGHSPGA SSSGSAAAVG AGMIPLALGT DATA SEQUENCE QTGGSVIRPA AYCGTAAIKP SFRMLPTVGV KCYSWALDTV GLFGARAEDL DATA SEQUENCE ARGLLAMTGR SEFSGIVPAK APRIGVVRQE FAGAVEPAAE QGLQAAIKAA DATA SEQUENCE ERAGASVQAI DLPEAVHEAW RIHPIIQDFE AHRALAWEFS EHHDEIAPML DATA SEQUENCE RASLDATVGL TPKEYDEARR IGRRGRRELG EVFEGVDVLL TYSAPGTAPA DATA SEQUENCE KALASTGDPR YNRLWTLMGN PCVNVPVLKV GGLPIGVQVI ARFGNDAHAL DATA SEQUENCE ATAWFLEDAL AKS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.008 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 I N 0.767 121.330 120.570 -0.012 0.000 2.392 2 I HA 0.396 4.579 4.170 0.022 0.000 0.295 2 I C 0.181 176.285 176.117 -0.022 0.000 0.985 2 I CA -0.551 60.740 61.300 -0.015 0.000 1.221 2 I CB 1.872 39.862 38.000 -0.016 0.000 1.366 2 I HN 0.563 nan 8.210 nan 0.000 0.467 3 S N 5.520 121.204 115.700 -0.026 0.000 2.452 3 S HA 0.266 4.750 4.470 0.022 0.000 0.284 3 S C 0.845 175.422 174.600 -0.038 0.000 1.171 3 S CA -0.651 57.524 58.200 -0.041 0.000 1.064 3 S CB 0.732 63.904 63.200 -0.045 0.000 0.967 3 S HN 0.665 nan 8.310 nan 0.000 0.484 4 L N 6.065 127.261 121.223 -0.046 0.000 1.994 4 L HA -0.018 4.335 4.340 0.022 0.000 0.208 4 L C 2.499 179.347 176.870 -0.037 0.000 1.071 4 L CA 2.175 56.992 54.840 -0.039 0.000 0.745 4 L CB -0.820 41.212 42.059 -0.046 0.000 0.892 4 L HN 0.840 nan 8.230 nan 0.000 0.431 5 A N -0.405 122.383 122.820 -0.053 0.000 1.940 5 A HA -0.329 4.004 4.320 0.022 0.000 0.219 5 A C 1.902 179.475 177.584 -0.020 0.000 1.176 5 A CA 2.139 54.152 52.037 -0.040 0.000 0.631 5 A CB -0.949 18.009 19.000 -0.070 0.000 0.814 5 A HN 0.668 nan 8.150 nan 0.000 0.446 6 D N -0.082 120.303 120.400 -0.024 0.000 2.092 6 D HA -0.154 4.499 4.640 0.022 0.000 0.193 6 D C 1.868 178.165 176.300 -0.005 0.000 0.994 6 D CA 1.603 55.597 54.000 -0.010 0.000 0.828 6 D CB -0.271 40.521 40.800 -0.014 0.000 0.963 6 D HN 0.418 nan 8.370 nan 0.000 0.450 7 L N -0.043 121.175 121.223 -0.009 0.000 1.990 7 L HA -0.248 4.105 4.340 0.022 0.000 0.213 7 L C 2.810 179.679 176.870 -0.001 0.000 1.072 7 L CA 1.507 56.344 54.840 -0.005 0.000 0.755 7 L CB -0.752 41.302 42.059 -0.009 0.000 0.889 7 L HN 0.222 nan 8.230 nan 0.000 0.432 8 Q N -0.194 119.605 119.800 -0.002 0.000 1.998 8 Q HA -0.281 4.073 4.340 0.022 0.000 0.209 8 Q C 2.396 178.402 176.000 0.009 0.000 1.002 8 Q CA 1.957 57.763 55.803 0.004 0.000 0.858 8 Q CB -0.262 28.479 28.738 0.004 0.000 0.932 8 Q HN 0.422 nan 8.270 nan 0.000 0.416 9 R N 0.208 120.715 120.500 0.012 0.000 2.112 9 R HA -0.170 4.183 4.340 0.022 0.000 0.242 9 R C 2.378 178.686 176.300 0.014 0.000 1.137 9 R CA 1.639 57.749 56.100 0.017 0.000 0.944 9 R CB -0.282 30.031 30.300 0.022 0.000 0.857 9 R HN 0.242 nan 8.270 nan 0.000 0.435 10 R N 0.191 120.697 120.500 0.011 0.000 2.096 10 R HA -0.086 4.267 4.340 0.022 0.000 0.235 10 R C 2.335 178.641 176.300 0.009 0.000 1.127 10 R CA 1.281 57.387 56.100 0.010 0.000 0.968 10 R CB -0.302 30.002 30.300 0.007 0.000 0.861 10 R HN 0.297 nan 8.270 nan 0.000 0.440 11 I N 0.374 120.949 120.570 0.008 0.000 2.353 11 I HA -0.195 3.988 4.170 0.022 0.000 0.248 11 I C 2.328 178.451 176.117 0.010 0.000 1.119 11 I CA 0.989 62.294 61.300 0.009 0.000 1.417 11 I CB -0.146 37.858 38.000 0.007 0.000 1.078 11 I HN 0.092 nan 8.210 nan 0.000 0.421 12 E N 0.949 121.156 120.200 0.011 0.000 2.204 12 E HA -0.182 4.182 4.350 0.022 0.000 0.194 12 E C 1.662 178.269 176.600 0.012 0.000 0.989 12 E CA 1.597 58.004 56.400 0.013 0.000 0.824 12 E CB -0.096 29.614 29.700 0.015 0.000 0.756 12 E HN 0.461 nan 8.360 nan 0.000 0.477 13 T N -3.622 110.939 114.554 0.012 0.000 3.223 13 T HA 0.390 4.753 4.350 0.022 0.000 0.259 13 T C 1.378 176.084 174.700 0.010 0.000 1.015 13 T CA 0.215 62.322 62.100 0.012 0.000 0.908 13 T CB 0.094 68.969 68.868 0.013 0.000 1.054 13 T HN 0.240 nan 8.240 nan 0.000 0.567 14 G N 1.991 110.796 108.800 0.010 0.000 2.205 14 G HA2 -0.430 3.543 3.960 0.022 0.000 0.269 14 G HA3 -0.430 3.543 3.960 0.022 0.000 0.269 14 G C 0.732 175.637 174.900 0.008 0.000 0.977 14 G CA 0.879 45.984 45.100 0.009 0.000 0.652 14 G HN 0.657 nan 8.290 nan 0.000 0.539 15 E N -0.927 119.279 120.200 0.009 0.000 2.160 15 E HA 0.071 4.435 4.350 0.022 0.000 0.195 15 E C 0.950 177.555 176.600 0.008 0.000 0.991 15 E CA 1.118 57.523 56.400 0.009 0.000 0.810 15 E CB -0.037 29.669 29.700 0.009 0.000 0.742 15 E HN 0.658 nan 8.360 nan 0.000 0.466 16 L N 0.271 121.499 121.223 0.008 0.000 2.422 16 L HA 0.325 4.679 4.340 0.022 0.000 0.264 16 L C -1.074 175.801 176.870 0.009 0.000 0.984 16 L CA -0.683 54.162 54.840 0.008 0.000 0.819 16 L CB 2.126 44.189 42.059 0.007 0.000 1.330 16 L HN 0.013 nan 8.230 nan 0.000 0.410 17 S N 3.427 119.133 115.700 0.010 0.000 2.541 17 S HA 0.630 5.113 4.470 0.022 0.000 0.283 17 S C -2.167 172.440 174.600 0.012 0.000 1.196 17 S CA -1.115 57.091 58.200 0.011 0.000 1.062 17 S CB 1.439 64.645 63.200 0.011 0.000 1.009 17 S HN 0.615 nan 8.310 nan 0.000 0.502 18 P HA -0.168 nan 4.420 nan 0.000 0.215 18 P C 1.273 178.585 177.300 0.020 0.000 1.163 18 P CA 1.331 64.440 63.100 0.014 0.000 0.894 18 P CB -0.045 31.663 31.700 0.014 0.000 0.791 19 N N -0.706 118.009 118.700 0.024 0.000 2.137 19 N HA -0.178 4.576 4.740 0.022 0.000 0.190 19 N C 1.685 177.218 175.510 0.038 0.000 1.017 19 N CA 1.737 54.808 53.050 0.034 0.000 0.859 19 N CB -0.758 37.744 38.487 0.026 0.000 1.002 19 N HN 0.110 nan 8.380 nan 0.000 0.428 20 A N 1.139 123.975 122.820 0.027 0.000 1.898 20 A HA 0.066 4.399 4.320 0.022 0.000 0.216 20 A C 2.442 180.041 177.584 0.025 0.000 1.181 20 A CA 1.780 53.833 52.037 0.025 0.000 0.620 20 A CB -0.766 18.244 19.000 0.017 0.000 0.819 20 A HN 0.320 nan 8.150 nan 0.000 0.442 21 A N 0.025 122.856 122.820 0.017 0.000 1.883 21 A HA -0.094 4.239 4.320 0.022 0.000 0.217 21 A C 2.018 179.604 177.584 0.003 0.000 1.186 21 A CA 1.724 53.766 52.037 0.007 0.000 0.624 21 A CB -0.501 18.500 19.000 0.002 0.000 0.822 21 A HN 0.407 nan 8.150 nan 0.000 0.444 22 I N -0.122 120.458 120.570 0.016 0.000 2.252 22 I HA -0.200 3.983 4.170 0.022 0.000 0.245 22 I C 2.926 179.091 176.117 0.081 0.000 1.102 22 I CA 1.377 62.682 61.300 0.009 0.000 1.385 22 I CB -1.601 36.431 38.000 0.053 0.000 1.064 22 I HN 0.365 nan 8.210 nan 0.000 0.414 23 A N 0.179 123.078 122.820 0.131 0.000 1.972 23 A HA -0.237 4.096 4.320 0.022 0.000 0.219 23 A C 2.255 179.905 177.584 0.110 0.000 1.169 23 A CA 1.413 53.548 52.037 0.164 0.000 0.635 23 A CB -0.570 18.482 19.000 0.087 0.000 0.810 23 A HN 0.499 nan 8.150 nan 0.000 0.446 24 Q N -0.607 119.224 119.800 0.051 0.000 2.079 24 Q HA -0.107 4.247 4.340 0.022 0.000 0.200 24 Q C 2.465 178.468 176.000 0.005 0.000 0.974 24 Q CA 1.701 57.519 55.803 0.025 0.000 0.840 24 Q CB -0.176 28.568 28.738 0.009 0.000 0.898 24 Q HN 0.637 nan 8.270 nan 0.000 0.430 25 S N -0.326 115.352 115.700 -0.038 0.000 2.368 25 S HA -0.148 4.335 4.470 0.022 0.000 0.224 25 S C 1.676 176.207 174.600 -0.115 0.000 1.029 25 S CA 0.803 58.942 58.200 -0.102 0.000 0.988 25 S CB -0.267 62.830 63.200 -0.172 0.000 0.838 25 S HN 0.424 nan 8.310 nan 0.000 0.462 26 H N 1.317 120.382 119.070 -0.009 0.000 2.352 26 H HA -0.041 4.529 4.556 0.023 0.000 0.299 26 H C 2.423 177.770 175.328 0.032 0.000 1.097 26 H CA 1.440 57.516 56.048 0.047 0.000 1.311 26 H CB -0.653 29.160 29.762 0.086 0.000 1.377 26 H HN 0.427 nan 8.280 nan 0.000 0.504 27 A N 1.213 124.113 122.820 0.133 0.000 1.835 27 A HA -0.091 4.242 4.320 0.022 0.000 0.215 27 A C 2.768 180.370 177.584 0.031 0.000 1.199 27 A CA 2.001 54.080 52.037 0.071 0.000 0.615 27 A CB -1.150 17.879 19.000 0.047 0.000 0.838 27 A HN 0.429 nan 8.150 nan 0.000 0.444 28 A N 0.025 122.849 122.820 0.007 0.000 1.915 28 A HA -0.231 4.102 4.320 0.022 0.000 0.220 28 A C 2.147 179.718 177.584 -0.022 0.000 1.198 28 A CA 1.954 53.985 52.037 -0.011 0.000 0.647 28 A CB -0.868 18.120 19.000 -0.020 0.000 0.825 28 A HN 0.550 nan 8.150 nan 0.000 0.456 29 I N -0.771 119.763 120.570 -0.060 0.000 2.099 29 I HA -0.265 3.918 4.170 0.022 0.000 0.239 29 I C 2.589 178.684 176.117 -0.035 0.000 1.066 29 I CA 1.674 62.910 61.300 -0.106 0.000 1.324 29 I CB -0.541 37.199 38.000 -0.435 0.000 1.037 29 I HN 0.316 nan 8.210 nan 0.000 0.401 30 E N 0.868 121.078 120.200 0.015 0.000 2.130 30 E HA -0.244 4.119 4.350 0.022 0.000 0.196 30 E C 2.244 178.856 176.600 0.020 0.000 0.998 30 E CA 1.497 57.927 56.400 0.049 0.000 0.806 30 E CB -0.283 29.461 29.700 0.072 0.000 0.738 30 E HN 0.540 nan 8.360 nan 0.000 0.459 31 A N 0.649 123.474 122.820 0.009 0.000 2.070 31 A HA -0.137 4.197 4.320 0.022 0.000 0.220 31 A C 1.782 179.358 177.584 -0.014 0.000 1.159 31 A CA 1.256 53.292 52.037 -0.001 0.000 0.656 31 A CB -0.066 18.932 19.000 -0.003 0.000 0.800 31 A HN 0.131 nan 8.150 nan 0.000 0.453 32 R N -2.168 118.320 120.500 -0.021 0.000 2.526 32 R HA 0.121 4.475 4.340 0.022 0.000 0.346 32 R C 0.854 177.112 176.300 -0.071 0.000 0.926 32 R CA -0.207 55.866 56.100 -0.046 0.000 1.147 32 R CB 0.139 30.408 30.300 -0.051 0.000 1.629 32 R HN 0.207 nan 8.270 nan 0.000 0.516 33 E N 2.067 122.249 120.200 -0.029 0.000 2.160 33 E HA -0.144 4.219 4.350 0.022 0.000 0.195 33 E C 1.138 177.661 176.600 -0.128 0.000 0.991 33 E CA 1.283 57.673 56.400 -0.016 0.000 0.810 33 E CB 0.216 29.962 29.700 0.075 0.000 0.742 33 E HN 0.267 nan 8.360 nan 0.000 0.466 34 K N 0.288 120.635 120.400 -0.089 0.000 2.360 34 K HA -0.141 4.192 4.320 0.022 0.000 0.201 34 K C 2.043 178.451 176.600 -0.320 0.000 1.046 34 K CA 0.987 57.229 56.287 -0.076 0.000 0.945 34 K CB 0.121 32.623 32.500 0.003 0.000 0.750 34 K HN 0.190 nan 8.250 nan 0.000 0.464 35 E N 0.389 120.373 120.200 -0.359 0.000 2.152 35 E HA -0.055 4.308 4.350 0.022 0.000 0.195 35 E C 1.793 178.123 176.600 -0.450 0.000 0.934 35 E CA 0.336 56.539 56.400 -0.328 0.000 0.869 35 E CB 0.450 30.059 29.700 -0.150 0.000 0.842 35 E HN -0.017 nan 8.360 nan 0.000 0.472 36 V N 0.649 120.350 119.914 -0.355 0.000 2.535 36 V HA -0.076 4.057 4.120 0.022 0.000 0.246 36 V C 0.152 176.164 176.094 -0.138 0.000 1.045 36 V CA 1.585 63.760 62.300 -0.208 0.000 1.058 36 V CB -0.926 30.829 31.823 -0.114 0.000 0.689 36 V HN 0.467 nan 8.190 nan 0.000 0.461 37 H N -0.893 118.194 119.070 0.029 0.000 2.692 37 H HA -0.206 4.363 4.556 0.022 0.000 0.316 37 H C 1.347 176.683 175.328 0.014 0.000 1.176 37 H CA 0.207 56.279 56.048 0.039 0.000 1.142 37 H CB -1.336 28.440 29.762 0.023 0.000 1.475 37 H HN 0.489 nan 8.280 nan 0.000 0.423 38 A N -0.379 122.483 122.820 0.069 0.000 2.072 38 A HA 0.189 4.522 4.320 0.022 0.000 0.216 38 A C 0.529 177.996 177.584 -0.195 0.000 1.156 38 A CA 0.408 52.383 52.037 -0.103 0.000 0.701 38 A CB 0.336 19.196 19.000 -0.233 0.000 0.816 38 A HN 0.251 nan 8.150 nan 0.000 0.458 39 F N -1.637 118.314 119.950 0.002 0.000 2.399 39 F HA 0.389 4.930 4.527 0.023 0.000 0.334 39 F C 1.260 177.080 175.800 0.034 0.000 1.097 39 F CA -0.277 57.728 58.000 0.007 0.000 1.076 39 F CB 1.800 40.804 39.000 0.007 0.000 1.162 39 F HN -0.163 nan 8.300 nan 0.000 0.495 40 V N 2.149 122.190 119.914 0.211 0.000 2.535 40 V HA 0.004 4.138 4.120 0.022 0.000 0.246 40 V C 0.328 176.519 176.094 0.162 0.000 1.045 40 V CA 1.129 63.512 62.300 0.138 0.000 1.058 40 V CB -0.412 31.464 31.823 0.088 0.000 0.689 40 V HN 0.756 nan 8.190 nan 0.000 0.461 41 R N -0.260 120.373 120.500 0.222 0.000 2.561 41 R HA 0.397 4.751 4.340 0.022 0.000 0.266 41 R C -1.120 175.300 176.300 0.199 0.000 1.091 41 R CA -0.646 55.557 56.100 0.172 0.000 0.927 41 R CB 0.885 31.252 30.300 0.112 0.000 1.240 41 R HN 0.361 nan 8.270 nan 0.000 0.449 42 H N 2.066 121.108 119.070 -0.045 0.000 2.511 42 H HA 0.169 4.738 4.556 0.023 0.000 0.328 42 H C -1.118 174.157 175.328 -0.089 0.000 1.044 42 H CA -0.735 55.185 56.048 -0.212 0.000 1.212 42 H CB 1.829 31.381 29.762 -0.349 0.000 1.428 42 H HN 0.655 nan 8.280 nan 0.000 0.483 43 D N 5.375 125.852 120.400 0.128 0.000 2.435 43 D HA 0.014 4.667 4.640 0.022 0.000 0.230 43 D C 0.783 177.035 176.300 -0.080 0.000 1.215 43 D CA -0.175 53.829 54.000 0.006 0.000 0.947 43 D CB 0.691 41.535 40.800 0.073 0.000 1.048 43 D HN 0.578 nan 8.370 nan 0.000 0.512 44 K N 1.089 121.244 120.400 -0.408 0.000 2.211 44 K HA -0.111 4.222 4.320 0.022 0.000 0.204 44 K C 1.630 178.003 176.600 -0.378 0.000 1.047 44 K CA 0.904 56.876 56.287 -0.524 0.000 0.935 44 K CB -0.013 32.206 32.500 -0.468 0.000 0.728 44 K HN 0.415 nan 8.250 nan 0.000 0.452 45 S N 0.284 115.875 115.700 -0.181 0.000 2.527 45 S HA 0.133 4.616 4.470 0.022 0.000 0.222 45 S C 0.961 175.547 174.600 -0.023 0.000 0.985 45 S CA -0.046 58.082 58.200 -0.119 0.000 0.921 45 S CB -0.063 63.090 63.200 -0.077 0.000 0.772 45 S HN 0.215 nan 8.310 nan 0.000 0.529 46 A N 2.198 125.072 122.820 0.091 0.000 2.565 46 A HA 0.429 4.763 4.320 0.022 0.000 0.237 46 A C 0.530 178.247 177.584 0.223 0.000 1.053 46 A CA -0.042 52.094 52.037 0.165 0.000 0.755 46 A CB 0.069 19.190 19.000 0.203 0.000 0.980 46 A HN 0.641 nan 8.150 nan 0.000 0.506 47 R N 1.111 121.682 120.500 0.119 0.000 2.867 47 R HA 0.654 5.007 4.340 0.022 0.000 0.268 47 R C -0.262 176.076 176.300 0.064 0.000 1.014 47 R CA -0.562 55.597 56.100 0.099 0.000 0.946 47 R CB 1.946 32.276 30.300 0.051 0.000 1.208 47 R HN 0.848 nan 8.270 nan 0.000 0.477 48 A N 1.416 124.267 122.820 0.052 0.000 2.462 48 A HA 0.113 4.447 4.320 0.022 0.000 0.243 48 A C -0.071 177.527 177.584 0.024 0.000 1.076 48 A CA 0.006 52.062 52.037 0.032 0.000 0.773 48 A CB 0.303 19.320 19.000 0.027 0.000 1.010 48 A HN 0.566 nan 8.150 nan 0.000 0.493 49 Q N 0.335 120.146 119.800 0.019 0.000 2.256 49 Q HA 0.430 4.784 4.340 0.022 0.000 0.232 49 Q C 1.212 177.220 176.000 0.013 0.000 0.965 49 Q CA 0.066 55.878 55.803 0.015 0.000 0.908 49 Q CB 1.293 30.039 28.738 0.013 0.000 1.209 49 Q HN 0.858 nan 8.270 nan 0.000 0.489 50 A N 0.808 123.634 122.820 0.011 0.000 2.067 50 A HA -0.014 4.319 4.320 0.022 0.000 0.217 50 A C 0.612 178.201 177.584 0.009 0.000 1.156 50 A CA 1.241 53.284 52.037 0.010 0.000 0.683 50 A CB 0.092 19.097 19.000 0.008 0.000 0.808 50 A HN 0.644 nan 8.150 nan 0.000 0.455 51 S N -3.402 112.303 115.700 0.009 0.000 2.625 51 S HA 0.683 5.166 4.470 0.022 0.000 0.271 51 S C -0.267 174.339 174.600 0.009 0.000 1.161 51 S CA -0.049 58.157 58.200 0.009 0.000 0.820 51 S CB 1.086 64.291 63.200 0.009 0.000 1.137 51 S HN 2.049 nan 8.310 nan 0.000 0.470 52 G N 1.293 110.099 108.800 0.010 0.000 2.674 52 G HA2 0.117 4.090 3.960 0.022 0.000 0.686 52 G HA3 0.117 4.090 3.960 0.022 0.000 0.686 52 G C -2.168 172.738 174.900 0.010 0.000 1.195 52 G CA -0.261 44.845 45.100 0.010 0.000 0.776 52 G HN 0.634 nan 8.290 nan 0.000 0.654 53 P HA -0.079 nan 4.420 nan 0.000 0.220 53 P C 1.441 178.744 177.300 0.006 0.000 1.144 53 P CA 1.077 64.183 63.100 0.010 0.000 0.800 53 P CB 0.178 31.886 31.700 0.013 0.000 0.772 54 L N -0.460 120.765 121.223 0.004 0.000 2.741 54 L HA 0.191 4.545 4.340 0.022 0.000 0.237 54 L C 1.195 178.066 176.870 0.002 0.000 1.178 54 L CA -0.593 54.247 54.840 0.000 0.000 0.973 54 L CB -0.344 41.714 42.059 -0.002 0.000 1.255 54 L HN -0.028 nan 8.230 nan 0.000 0.498 55 R N 0.157 120.660 120.500 0.005 0.000 2.449 55 R HA 0.365 4.718 4.340 0.022 0.000 0.296 55 R C 0.798 177.101 176.300 0.006 0.000 1.047 55 R CA 0.639 56.743 56.100 0.007 0.000 1.018 55 R CB 0.214 30.520 30.300 0.009 0.000 0.962 55 R HN 0.175 nan 8.270 nan 0.000 0.428 56 G N 2.722 111.525 108.800 0.006 0.000 2.175 56 G HA2 -0.191 3.782 3.960 0.022 0.000 0.244 56 G HA3 -0.191 3.782 3.960 0.022 0.000 0.244 56 G C -0.080 174.817 174.900 -0.005 0.000 0.982 56 G CA -0.117 44.985 45.100 0.004 0.000 0.641 56 G HN 0.542 nan 8.290 nan 0.000 0.527 57 I N 1.687 122.253 120.570 -0.007 0.000 2.321 57 I HA 0.659 4.842 4.170 0.022 0.000 0.291 57 I C 0.794 176.901 176.117 -0.017 0.000 0.998 57 I CA -1.070 60.222 61.300 -0.013 0.000 1.227 57 I CB 0.869 38.863 38.000 -0.010 0.000 1.368 57 I HN 0.339 nan 8.210 nan 0.000 0.466 58 A N 7.179 129.981 122.820 -0.031 0.000 2.301 58 A HA 0.690 5.023 4.320 0.022 0.000 0.298 58 A C -0.335 177.244 177.584 -0.008 0.000 1.185 58 A CA -0.361 51.651 52.037 -0.042 0.000 0.830 58 A CB 0.698 19.638 19.000 -0.100 0.000 1.112 58 A HN 0.470 nan 8.150 nan 0.000 0.508 59 V N 1.951 121.874 119.914 0.014 0.000 2.588 59 V HA 0.673 4.807 4.120 0.022 0.000 0.304 59 V C 0.723 176.861 176.094 0.074 0.000 1.042 59 V CA -0.297 62.024 62.300 0.035 0.000 0.877 59 V CB 1.915 33.753 31.823 0.025 0.000 0.996 59 V HN 1.159 nan 8.190 nan 0.000 0.425 60 G N 4.244 113.082 108.800 0.063 0.000 2.367 60 G HA2 0.670 4.643 3.960 0.022 0.000 0.314 60 G HA3 0.670 4.643 3.960 0.022 0.000 0.314 60 G C -0.814 174.088 174.900 0.004 0.000 1.130 60 G CA -0.418 44.717 45.100 0.058 0.000 0.864 60 G HN 0.444 nan 8.290 nan 0.000 0.486 61 I N 1.629 122.213 120.570 0.023 0.000 2.382 61 I HA 0.263 4.447 4.170 0.022 0.000 0.286 61 I C 0.463 176.575 176.117 -0.008 0.000 1.002 61 I CA -1.138 60.172 61.300 0.017 0.000 1.135 61 I CB 1.471 39.498 38.000 0.044 0.000 1.288 61 I HN 0.539 nan 8.210 nan 0.000 0.448 62 K N 3.950 124.337 120.400 -0.022 0.000 2.530 62 K HA -0.144 4.189 4.320 0.022 0.000 0.280 62 K C 0.509 177.110 176.600 0.002 0.000 1.004 62 K CA 0.330 56.599 56.287 -0.029 0.000 1.071 62 K CB 0.490 32.990 32.500 0.001 0.000 0.876 62 K HN 0.439 nan 8.250 nan 0.000 0.487 63 D N 4.157 124.553 120.400 -0.006 0.000 2.396 63 D HA -0.036 4.617 4.640 0.022 0.000 0.255 63 D C 0.826 177.131 176.300 0.009 0.000 1.224 63 D CA 0.413 54.421 54.000 0.012 0.000 0.894 63 D CB -0.229 40.578 40.800 0.011 0.000 0.939 63 D HN 0.585 nan 8.370 nan 0.000 0.506 64 I N -3.561 117.020 120.570 0.018 0.000 4.154 64 I HA 0.303 4.486 4.170 0.022 0.000 0.334 64 I C 0.045 176.191 176.117 0.049 0.000 1.371 64 I CA -0.273 61.038 61.300 0.019 0.000 1.110 64 I CB 0.363 38.388 38.000 0.043 0.000 1.085 64 I HN -0.226 nan 8.210 nan 0.000 0.398 65 I N 2.929 123.531 120.570 0.053 0.000 2.312 65 I HA 0.269 4.452 4.170 0.022 0.000 0.290 65 I C -0.539 175.617 176.117 0.064 0.000 1.008 65 I CA -0.560 60.776 61.300 0.060 0.000 1.226 65 I CB 0.844 38.876 38.000 0.053 0.000 1.371 65 I HN -0.005 nan 8.210 nan 0.000 0.468 66 D N 5.092 125.536 120.400 0.074 0.000 2.531 66 D HA 0.095 4.748 4.640 0.022 0.000 0.239 66 D C 0.144 176.469 176.300 0.041 0.000 1.144 66 D CA 0.706 54.749 54.000 0.071 0.000 0.869 66 D CB 0.729 41.577 40.800 0.080 0.000 1.160 66 D HN 0.548 nan 8.370 nan 0.000 0.484 67 T N -1.495 113.074 114.554 0.024 0.000 2.886 67 T HA 0.635 4.999 4.350 0.022 0.000 0.292 67 T C 0.747 175.432 174.700 -0.024 0.000 1.012 67 T CA -0.918 61.188 62.100 0.009 0.000 0.982 67 T CB 2.009 70.889 68.868 0.021 0.000 1.018 67 T HN 0.163 nan 8.240 nan 0.000 0.451 68 A N 2.414 125.220 122.820 -0.025 0.000 2.021 68 A HA 0.044 4.377 4.320 0.022 0.000 0.216 68 A C 1.990 179.544 177.584 -0.051 0.000 1.163 68 A CA 0.771 52.779 52.037 -0.048 0.000 0.676 68 A CB -0.450 18.530 19.000 -0.034 0.000 0.818 68 A HN 0.888 nan 8.150 nan 0.000 0.453 69 N N -1.203 117.481 118.700 -0.028 0.000 2.299 69 N HA 0.171 4.924 4.740 0.022 0.000 0.187 69 N C 0.113 175.612 175.510 -0.018 0.000 1.099 69 N CA 0.158 53.194 53.050 -0.023 0.000 0.867 69 N CB 0.126 38.608 38.487 -0.008 0.000 0.974 69 N HN 0.425 nan 8.380 nan 0.000 0.477 70 M N -0.146 119.444 119.600 -0.016 0.000 2.593 70 M HA 0.470 4.963 4.480 0.022 0.000 0.290 70 M C -2.864 173.427 176.300 -0.015 0.000 1.244 70 M CA -1.983 53.316 55.300 -0.001 0.000 0.857 70 M CB 3.050 35.668 32.600 0.031 0.000 1.738 70 M HN -0.309 nan 8.290 nan 0.000 0.461 71 P HA 0.198 nan 4.420 nan 0.000 0.274 71 P C -1.083 176.250 177.300 0.055 0.000 1.231 71 P CA -0.202 62.902 63.100 0.008 0.000 0.790 71 P CB 0.597 32.322 31.700 0.042 0.000 0.951 72 T N 1.849 116.464 114.554 0.102 0.000 2.977 72 T HA 0.183 4.546 4.350 0.022 0.000 0.346 72 T C 0.476 175.322 174.700 0.244 0.000 1.140 72 T CA -0.310 61.880 62.100 0.150 0.000 1.040 72 T CB 0.129 69.096 68.868 0.165 0.000 1.046 72 T HN 0.352 nan 8.240 nan 0.000 0.494 73 E N 3.077 123.368 120.200 0.151 0.000 2.465 73 E HA 0.060 4.423 4.350 0.022 0.000 0.191 73 E C 0.740 177.338 176.600 -0.003 0.000 1.053 73 E CA -0.182 56.309 56.400 0.150 0.000 0.869 73 E CB -0.008 29.761 29.700 0.115 0.000 0.977 73 E HN 0.486 nan 8.360 nan 0.000 0.483 74 M N -1.005 118.536 119.600 -0.097 0.000 2.797 74 M HA -0.252 4.241 4.480 0.022 0.000 0.171 74 M C 1.130 177.241 176.300 -0.315 0.000 0.647 74 M CA 1.398 56.536 55.300 -0.270 0.000 0.598 74 M CB -2.883 29.367 32.600 -0.582 0.000 2.180 74 M HN 0.463 nan 8.290 nan 0.000 0.429 75 G N 0.113 108.809 108.800 -0.172 0.000 2.168 75 G HA2 -0.256 3.717 3.960 0.022 0.000 0.257 75 G HA3 -0.256 3.717 3.960 0.022 0.000 0.257 75 G C 0.120 174.890 174.900 -0.217 0.000 0.997 75 G CA 1.043 46.052 45.100 -0.152 0.000 0.708 75 G HN 1.058 nan 8.290 nan 0.000 0.520 76 S N -1.289 114.254 115.700 -0.263 0.000 2.542 76 S HA 0.598 5.081 4.470 0.022 0.000 0.293 76 S C 1.154 175.730 174.600 -0.039 0.000 1.089 76 S CA 0.249 58.308 58.200 -0.235 0.000 0.961 76 S CB 1.342 64.212 63.200 -0.549 0.000 1.062 76 S HN 0.302 nan 8.310 nan 0.000 0.483 77 E N 2.784 122.979 120.200 -0.008 0.000 2.274 77 E HA -0.023 4.341 4.350 0.022 0.000 0.194 77 E C 1.379 177.992 176.600 0.021 0.000 0.996 77 E CA 0.859 57.270 56.400 0.017 0.000 0.840 77 E CB -0.148 29.559 29.700 0.011 0.000 0.772 77 E HN 0.678 nan 8.360 nan 0.000 0.491 78 I N 0.109 120.701 120.570 0.036 0.000 2.454 78 I HA -0.240 3.944 4.170 0.022 0.000 0.254 78 I C 0.922 176.957 176.117 -0.136 0.000 1.156 78 I CA 1.133 62.396 61.300 -0.062 0.000 1.433 78 I CB 0.048 38.082 38.000 0.057 0.000 1.082 78 I HN 0.127 nan 8.210 nan 0.000 0.432 79 Y N 0.298 120.591 120.300 -0.012 0.000 2.720 79 Y HA 0.277 4.841 4.550 0.023 0.000 0.277 79 Y C 0.902 176.868 175.900 0.111 0.000 1.144 79 Y CA -0.632 57.489 58.100 0.036 0.000 1.221 79 Y CB -0.121 38.342 38.460 0.004 0.000 1.163 79 Y HN -0.026 nan 8.280 nan 0.000 0.537 80 R N 0.557 121.153 120.500 0.160 0.000 2.484 80 R HA 0.238 4.592 4.340 0.022 0.000 0.293 80 R C 1.289 177.685 176.300 0.161 0.000 1.023 80 R CA 1.376 57.555 56.100 0.132 0.000 1.037 80 R CB -0.097 30.247 30.300 0.073 0.000 0.951 80 R HN 0.663 nan 8.270 nan 0.000 0.418 81 G N 4.197 113.091 108.800 0.157 0.000 2.212 81 G HA2 -0.302 3.672 3.960 0.022 0.000 0.266 81 G HA3 -0.302 3.672 3.960 0.022 0.000 0.266 81 G C 0.124 175.137 174.900 0.189 0.000 0.978 81 G CA 0.209 45.391 45.100 0.137 0.000 0.632 81 G HN 0.809 nan 8.290 nan 0.000 0.537 82 W N 1.463 122.811 121.300 0.081 0.000 2.343 82 W HA 0.462 5.136 4.660 0.022 0.000 0.337 82 W C 0.090 176.657 176.519 0.081 0.000 1.320 82 W CA 0.586 57.993 57.345 0.103 0.000 1.290 82 W CB 0.592 30.191 29.460 0.231 0.000 1.206 82 W HN 0.233 nan 8.180 nan 0.000 0.565 83 Q N 7.998 127.281 119.800 -0.861 0.000 2.394 83 Q HA 0.380 4.734 4.340 0.022 0.000 0.261 83 Q C -2.461 172.931 176.000 -1.012 0.000 1.023 83 Q CA -2.100 53.271 55.803 -0.720 0.000 0.720 83 Q CB 1.356 29.869 28.738 -0.374 0.000 1.241 83 Q HN 0.120 nan 8.270 nan 0.000 0.483 84 P HA 0.101 nan 4.420 nan 0.000 0.268 84 P C -0.134 177.004 177.300 -0.270 0.000 1.208 84 P CA -0.185 62.665 63.100 -0.417 0.000 0.777 84 P CB 0.916 32.554 31.700 -0.104 0.000 0.875 85 R N 1.594 121.998 120.500 -0.161 0.000 2.119 85 R HA 0.029 4.382 4.340 0.022 0.000 0.222 85 R C 0.411 176.676 176.300 -0.060 0.000 1.088 85 R CA 1.261 57.298 56.100 -0.105 0.000 0.984 85 R CB -0.298 29.967 30.300 -0.059 0.000 0.884 85 R HN 0.609 nan 8.270 nan 0.000 0.447 86 S N -1.165 114.515 115.700 -0.033 0.000 2.667 86 S HA 0.478 4.962 4.470 0.022 0.000 0.292 86 S C -1.168 173.430 174.600 -0.003 0.000 1.126 86 S CA -1.164 57.028 58.200 -0.013 0.000 0.881 86 S CB 1.822 65.023 63.200 0.003 0.000 1.132 86 S HN 0.040 nan 8.310 nan 0.000 0.492 87 D N 1.210 121.613 120.400 0.004 0.000 2.255 87 D HA 0.538 5.192 4.640 0.022 0.000 0.249 87 D C 0.282 176.595 176.300 0.021 0.000 1.078 87 D CA -0.006 54.001 54.000 0.012 0.000 0.896 87 D CB 1.640 42.447 40.800 0.011 0.000 1.194 87 D HN 0.829 nan 8.370 nan 0.000 0.429 88 A N 3.567 126.405 122.820 0.030 0.000 2.445 88 A HA 0.222 4.556 4.320 0.022 0.000 0.242 88 A C -1.356 176.244 177.584 0.026 0.000 1.075 88 A CA -0.815 51.242 52.037 0.034 0.000 0.777 88 A CB 0.151 19.177 19.000 0.043 0.000 1.013 88 A HN 0.328 nan 8.150 nan 0.000 0.493 89 P HA -0.221 nan 4.420 nan 0.000 0.218 89 P C 1.546 178.856 177.300 0.016 0.000 1.152 89 P CA 2.238 65.349 63.100 0.018 0.000 0.857 89 P CB -0.267 31.443 31.700 0.016 0.000 0.787 90 V N -3.845 116.080 119.914 0.018 0.000 2.515 90 V HA -0.161 3.972 4.120 0.022 0.000 0.250 90 V C 2.096 178.199 176.094 0.015 0.000 1.058 90 V CA 1.691 63.999 62.300 0.014 0.000 1.064 90 V CB -1.708 30.126 31.823 0.017 0.000 0.675 90 V HN -0.042 nan 8.190 nan 0.000 0.461 91 V N -0.171 119.755 119.914 0.021 0.000 2.427 91 V HA -0.163 3.971 4.120 0.022 0.000 0.248 91 V C 2.735 178.839 176.094 0.016 0.000 1.051 91 V CA 2.207 64.520 62.300 0.021 0.000 1.048 91 V CB -0.530 31.308 31.823 0.025 0.000 0.666 91 V HN 0.400 nan 8.190 nan 0.000 0.456 92 M N -1.243 118.365 119.600 0.015 0.000 2.229 92 M HA -0.108 4.385 4.480 0.022 0.000 0.264 92 M C 2.159 178.465 176.300 0.010 0.000 1.063 92 M CA 1.690 56.997 55.300 0.012 0.000 1.114 92 M CB -0.919 31.688 32.600 0.012 0.000 1.387 92 M HN 0.330 nan 8.290 nan 0.000 0.420 93 M N -0.306 119.299 119.600 0.009 0.000 2.117 93 M HA -0.218 4.275 4.480 0.022 0.000 0.262 93 M C 2.107 178.409 176.300 0.003 0.000 1.065 93 M CA 1.502 56.805 55.300 0.005 0.000 1.114 93 M CB -0.443 32.157 32.600 0.001 0.000 1.361 93 M HN 0.217 nan 8.290 nan 0.000 0.408 94 L N -0.386 120.839 121.223 0.004 0.000 2.044 94 L HA -0.184 4.169 4.340 0.022 0.000 0.205 94 L C 2.494 179.368 176.870 0.007 0.000 1.075 94 L CA 1.213 56.055 54.840 0.003 0.000 0.747 94 L CB -0.619 41.444 42.059 0.006 0.000 0.903 94 L HN 0.222 nan 8.230 nan 0.000 0.435 95 K N 0.141 120.547 120.400 0.010 0.000 2.026 95 K HA -0.162 4.171 4.320 0.022 0.000 0.208 95 K C 2.221 178.826 176.600 0.009 0.000 1.048 95 K CA 1.298 57.591 56.287 0.011 0.000 0.929 95 K CB -0.243 32.264 32.500 0.012 0.000 0.713 95 K HN 0.247 nan 8.250 nan 0.000 0.439 96 R N 0.403 120.908 120.500 0.009 0.000 2.159 96 R HA -0.100 4.253 4.340 0.022 0.000 0.237 96 R C 2.078 178.384 176.300 0.009 0.000 1.131 96 R CA 1.186 57.291 56.100 0.009 0.000 0.982 96 R CB -0.233 30.073 30.300 0.009 0.000 0.868 96 R HN 0.196 nan 8.270 nan 0.000 0.453 97 A N -0.440 122.385 122.820 0.008 0.000 2.218 97 A HA 0.221 4.555 4.320 0.022 0.000 0.209 97 A C 1.406 178.995 177.584 0.007 0.000 1.168 97 A CA 0.861 52.902 52.037 0.007 0.000 0.804 97 A CB 0.197 19.200 19.000 0.004 0.000 0.834 97 A HN 0.445 nan 8.150 nan 0.000 0.482 98 G N -2.160 106.645 108.800 0.008 0.000 2.179 98 G HA2 0.142 4.116 3.960 0.022 0.000 0.220 98 G HA3 0.142 4.116 3.960 0.022 0.000 0.220 98 G C 0.505 175.410 174.900 0.008 0.000 0.990 98 G CA 0.189 45.294 45.100 0.008 0.000 0.646 98 G HN 1.473 nan 8.290 nan 0.000 0.517 99 A N -0.161 122.663 122.820 0.007 0.000 2.429 99 A HA 0.639 4.972 4.320 0.022 0.000 0.242 99 A C 0.626 178.217 177.584 0.011 0.000 1.088 99 A CA 1.367 53.408 52.037 0.007 0.000 0.784 99 A CB 0.346 19.350 19.000 0.006 0.000 1.038 99 A HN 0.807 nan 8.150 nan 0.000 0.501 100 T N 2.468 117.028 114.554 0.010 0.000 2.791 100 T HA 0.381 4.744 4.350 0.022 0.000 0.288 100 T C -0.076 174.636 174.700 0.020 0.000 0.999 100 T CA -0.213 61.897 62.100 0.015 0.000 0.952 100 T CB 0.326 69.199 68.868 0.009 0.000 0.938 100 T HN 0.377 nan 8.240 nan 0.000 0.444 101 I N 4.833 125.423 120.570 0.033 0.000 2.357 101 I HA 0.163 4.347 4.170 0.022 0.000 0.300 101 I C 1.339 177.494 176.117 0.063 0.000 1.159 101 I CA 0.033 61.362 61.300 0.049 0.000 1.339 101 I CB -0.293 37.736 38.000 0.049 0.000 1.458 101 I HN 0.750 nan 8.210 nan 0.000 0.577 102 I N 4.370 124.974 120.570 0.056 0.000 3.291 102 I HA 0.115 4.298 4.170 0.022 0.000 0.279 102 I C 0.904 177.074 176.117 0.088 0.000 1.294 102 I CA 0.378 61.700 61.300 0.037 0.000 1.428 102 I CB 0.267 38.195 38.000 -0.120 0.000 1.070 102 I HN 0.729 nan 8.210 nan 0.000 0.478 103 G N 0.376 109.284 108.800 0.180 0.000 2.336 103 G HA2 0.104 4.077 3.960 0.022 0.000 0.300 103 G HA3 0.104 4.077 3.960 0.022 0.000 0.300 103 G C -1.754 173.356 174.900 0.350 0.000 1.375 103 G CA -0.889 44.369 45.100 0.263 0.000 0.885 103 G HN -0.154 nan 8.290 nan 0.000 0.599 104 K N 1.339 121.928 120.400 0.314 0.000 2.213 104 K HA 0.613 4.946 4.320 0.022 0.000 0.270 104 K C 0.518 177.194 176.600 0.126 0.000 1.002 104 K CA -0.453 55.938 56.287 0.174 0.000 0.868 104 K CB 1.414 33.984 32.500 0.116 0.000 1.093 104 K HN 0.879 nan 8.250 nan 0.000 0.454 105 T N -1.463 113.035 114.554 -0.093 0.000 2.913 105 T HA 0.220 4.583 4.350 0.022 0.000 0.287 105 T C 0.570 175.182 174.700 -0.147 0.000 1.008 105 T CA -0.786 61.135 62.100 -0.299 0.000 1.067 105 T CB 0.577 69.176 68.868 -0.449 0.000 0.996 105 T HN 0.561 nan 8.240 nan 0.000 0.513 106 T N -0.153 114.314 114.554 -0.144 0.000 2.940 106 T HA 0.409 4.773 4.350 0.022 0.000 0.309 106 T C 0.188 174.842 174.700 -0.076 0.000 1.056 106 T CA -0.553 61.503 62.100 -0.073 0.000 1.137 106 T CB 0.644 69.483 68.868 -0.047 0.000 0.976 106 T HN 0.932 nan 8.240 nan 0.000 0.547 107 T N 1.379 115.905 114.554 -0.046 0.000 2.903 107 T HA 0.614 4.977 4.350 0.022 0.000 0.299 107 T C 0.136 174.821 174.700 -0.024 0.000 1.093 107 T CA -0.435 61.645 62.100 -0.032 0.000 1.002 107 T CB 1.481 70.334 68.868 -0.025 0.000 1.127 107 T HN 1.097 nan 8.240 nan 0.000 0.488 108 T N 1.363 115.918 114.554 0.002 0.000 2.868 108 T HA 0.598 4.961 4.350 0.022 0.000 0.292 108 T C 0.720 175.413 174.700 -0.012 0.000 1.028 108 T CA -0.400 61.709 62.100 0.014 0.000 1.059 108 T CB 0.334 69.234 68.868 0.054 0.000 0.991 108 T HN 0.984 nan 8.240 nan 0.000 0.531 109 A N 1.822 124.623 122.820 -0.032 0.000 2.540 109 A HA 0.383 4.717 4.320 0.022 0.000 0.264 109 A C 0.498 178.075 177.584 -0.011 0.000 1.080 109 A CA -0.381 51.563 52.037 -0.154 0.000 0.776 109 A CB -1.641 17.315 19.000 -0.074 0.000 1.011 109 A HN 1.087 nan 8.150 nan 0.000 0.514 110 F N 0.319 120.293 119.950 0.039 0.000 3.093 110 F HA -0.268 4.272 4.527 0.022 0.000 0.287 110 F C 1.354 177.255 175.800 0.167 0.000 0.882 110 F CA 1.198 59.226 58.000 0.046 0.000 1.063 110 F CB -1.984 37.010 39.000 -0.010 0.000 1.097 110 F HN 1.797 nan 8.300 nan 0.000 0.604 111 A N -0.913 122.042 122.820 0.225 0.000 2.822 111 A HA -0.147 4.186 4.320 0.022 0.000 0.287 111 A C 0.995 178.724 177.584 0.241 0.000 1.479 111 A CA 1.305 53.464 52.037 0.203 0.000 0.779 111 A CB -1.620 17.500 19.000 0.199 0.000 1.022 111 A HN 0.875 nan 8.150 nan 0.000 0.532 112 S N -1.476 114.389 115.700 0.276 0.000 2.638 112 S HA 0.597 5.081 4.470 0.022 0.000 0.256 112 S C 1.442 176.128 174.600 0.143 0.000 1.089 112 S CA 0.007 58.373 58.200 0.277 0.000 1.020 112 S CB 0.504 63.942 63.200 0.397 0.000 1.252 112 S HN 0.544 nan 8.310 nan 0.000 0.542 113 R N 0.595 121.175 120.500 0.132 0.000 2.297 113 R HA 0.199 4.552 4.340 0.022 0.000 0.197 113 R C -0.470 175.880 176.300 0.083 0.000 0.943 113 R CA 0.167 56.323 56.100 0.093 0.000 1.038 113 R CB -0.182 30.167 30.300 0.082 0.000 0.957 113 R HN 0.527 nan 8.270 nan 0.000 0.484 114 D N 3.151 123.603 120.400 0.086 0.000 2.363 114 D HA 0.085 4.738 4.640 0.022 0.000 0.263 114 D C -2.305 174.026 176.300 0.051 0.000 1.258 114 D CA -1.062 52.977 54.000 0.064 0.000 0.907 114 D CB 1.185 42.022 40.800 0.061 0.000 1.107 114 D HN -0.086 nan 8.370 nan 0.000 0.495 115 P HA -0.047 nan 4.420 nan 0.000 0.265 115 P C 0.423 177.738 177.300 0.025 0.000 1.193 115 P CA 0.089 63.213 63.100 0.040 0.000 0.765 115 P CB 0.633 32.356 31.700 0.038 0.000 0.823 116 T N -0.166 114.402 114.554 0.022 0.000 2.891 116 T HA 0.500 4.864 4.350 0.022 0.000 0.294 116 T C 1.130 175.837 174.700 0.011 0.000 1.065 116 T CA -0.044 62.062 62.100 0.010 0.000 0.936 116 T CB 0.437 69.307 68.868 0.004 0.000 1.415 116 T HN 0.211 nan 8.240 nan 0.000 0.572 117 A N -0.227 122.595 122.820 0.003 0.000 2.238 117 A HA 0.340 4.673 4.320 0.022 0.000 0.210 117 A C 1.256 178.874 177.584 0.057 0.000 1.179 117 A CA -0.189 51.845 52.037 -0.004 0.000 0.827 117 A CB -0.887 18.069 19.000 -0.073 0.000 0.856 117 A HN 0.808 nan 8.150 nan 0.000 0.488 118 T N 1.161 115.752 114.554 0.062 0.000 2.937 118 T HA 0.398 4.761 4.350 0.022 0.000 0.316 118 T C -0.116 174.629 174.700 0.075 0.000 1.079 118 T CA 0.704 62.853 62.100 0.081 0.000 1.131 118 T CB 0.332 69.212 68.868 0.021 0.000 1.000 118 T HN 0.250 nan 8.240 nan 0.000 0.549 119 L N 2.608 123.873 121.223 0.071 0.000 2.341 119 L HA 0.473 4.826 4.340 0.022 0.000 0.267 119 L C 0.582 177.467 176.870 0.025 0.000 1.009 119 L CA -1.217 53.654 54.840 0.053 0.000 0.819 119 L CB 1.343 43.436 42.059 0.057 0.000 1.323 119 L HN 0.518 nan 8.230 nan 0.000 0.425 120 N N 2.080 120.809 118.700 0.048 0.000 2.483 120 N HA 0.086 4.840 4.740 0.022 0.000 0.264 120 N C -1.987 173.517 175.510 -0.010 0.000 1.197 120 N CA -1.180 51.899 53.050 0.047 0.000 0.927 120 N CB 1.762 40.313 38.487 0.107 0.000 1.065 120 N HN 0.300 nan 8.380 nan 0.000 0.461 121 P HA -0.098 nan 4.420 nan 0.000 0.219 121 P C 0.724 177.886 177.300 -0.229 0.000 1.146 121 P CA 1.238 64.213 63.100 -0.210 0.000 0.808 121 P CB 0.142 31.648 31.700 -0.323 0.000 0.779 122 H N -2.565 116.509 119.070 0.006 0.000 2.436 122 H HA 0.127 4.697 4.556 0.022 0.000 0.294 122 H C 0.629 175.966 175.328 0.014 0.000 1.048 122 H CA 0.997 57.046 56.048 0.002 0.000 1.353 122 H CB 0.019 29.774 29.762 -0.011 0.000 1.414 122 H HN 0.129 nan 8.280 nan 0.000 0.536 123 N N 0.018 118.802 118.700 0.140 0.000 2.599 123 N HA 0.007 4.761 4.740 0.022 0.000 0.283 123 N C 0.224 175.817 175.510 0.139 0.000 1.160 123 N CA 0.010 53.153 53.050 0.155 0.000 0.869 123 N CB 1.289 39.926 38.487 0.249 0.000 1.448 123 N HN -0.155 nan 8.380 nan 0.000 0.535 124 T N 0.910 115.507 114.554 0.072 0.000 2.849 124 T HA -0.078 4.285 4.350 0.022 0.000 0.270 124 T C 1.442 176.157 174.700 0.025 0.000 1.066 124 T CA 1.647 63.771 62.100 0.041 0.000 1.130 124 T CB -0.081 68.798 68.868 0.019 0.000 0.864 124 T HN 0.601 nan 8.240 nan 0.000 0.481 125 G N 0.725 109.525 108.800 -0.000 0.000 3.279 125 G HA2 0.078 4.051 3.960 0.022 0.000 0.230 125 G HA3 0.078 4.051 3.960 0.022 0.000 0.230 125 G C 0.083 174.758 174.900 -0.375 0.000 1.230 125 G CA -0.146 44.865 45.100 -0.148 0.000 0.891 125 G HN 0.457 nan 8.290 nan 0.000 0.518 126 H N -1.000 118.063 119.070 -0.011 0.000 2.928 126 H HA 0.373 4.943 4.556 0.023 0.000 0.371 126 H C -0.744 174.569 175.328 -0.025 0.000 1.186 126 H CA -0.656 55.372 56.048 -0.033 0.000 1.134 126 H CB 1.921 31.651 29.762 -0.053 0.000 1.824 126 H HN 0.087 nan 8.280 nan 0.000 0.554 127 S N 1.940 117.691 115.700 0.085 0.000 2.580 127 S HA 0.116 4.599 4.470 0.022 0.000 0.274 127 S C -1.606 173.045 174.600 0.084 0.000 1.329 127 S CA -1.160 57.077 58.200 0.062 0.000 1.036 127 S CB 0.626 63.859 63.200 0.055 0.000 0.919 127 S HN 0.505 nan 8.310 nan 0.000 0.515 128 P HA 0.256 nan 4.420 nan 0.000 0.255 128 P C 0.745 178.190 177.300 0.242 0.000 1.248 128 P CA 0.541 63.723 63.100 0.137 0.000 0.807 128 P CB -0.542 31.192 31.700 0.057 0.000 1.150 129 G N 0.057 109.048 108.800 0.318 0.000 2.627 129 G HA2 0.239 4.212 3.960 0.022 0.000 0.214 129 G HA3 0.239 4.212 3.960 0.022 0.000 0.214 129 G C -1.129 173.879 174.900 0.179 0.000 1.331 129 G CA -0.419 44.919 45.100 0.398 0.000 0.891 129 G HN 0.515 nan 8.290 nan 0.000 0.539 130 A N -1.939 120.955 122.820 0.125 0.000 2.594 130 A HA 0.928 5.262 4.320 0.022 0.000 0.296 130 A C 0.482 178.104 177.584 0.064 0.000 1.056 130 A CA 0.681 52.766 52.037 0.080 0.000 0.693 130 A CB 0.828 19.879 19.000 0.084 0.000 1.278 130 A HN 2.428 nan 8.150 nan 0.000 0.408 131 S N -0.398 115.338 115.700 0.060 0.000 2.523 131 S HA 0.108 4.591 4.470 0.022 0.000 0.217 131 S C 0.681 175.296 174.600 0.025 0.000 0.996 131 S CA 0.811 59.042 58.200 0.051 0.000 0.921 131 S CB 0.109 63.347 63.200 0.063 0.000 0.829 131 S HN 0.737 nan 8.310 nan 0.000 0.495 132 S N 2.706 118.425 115.700 0.031 0.000 2.871 132 S HA 0.242 4.725 4.470 0.022 0.000 0.254 132 S C 1.284 175.779 174.600 -0.175 0.000 1.088 132 S CA -0.100 58.068 58.200 -0.054 0.000 1.166 132 S CB -0.458 62.768 63.200 0.043 0.000 0.826 132 S HN 0.524 nan 8.310 nan 0.000 0.471 133 S N 2.395 118.041 115.700 -0.089 0.000 2.380 133 S HA -0.208 4.275 4.470 0.022 0.000 0.229 133 S C 2.350 176.841 174.600 -0.181 0.000 1.050 133 S CA 1.725 59.874 58.200 -0.085 0.000 1.100 133 S CB -0.996 62.188 63.200 -0.026 0.000 0.984 133 S HN 0.728 nan 8.310 nan 0.000 0.434 134 G N 1.054 109.734 108.800 -0.201 0.000 2.491 134 G HA2 -0.230 3.744 3.960 0.022 0.000 0.218 134 G HA3 -0.230 3.744 3.960 0.022 0.000 0.218 134 G C 1.616 176.258 174.900 -0.430 0.000 1.180 134 G CA 1.331 46.257 45.100 -0.290 0.000 0.774 134 G HN 0.531 nan 8.290 nan 0.000 0.562 135 S N 0.947 116.350 115.700 -0.495 0.000 2.356 135 S HA -0.031 4.453 4.470 0.022 0.000 0.223 135 S C 2.792 176.913 174.600 -0.799 0.000 1.032 135 S CA 1.353 59.164 58.200 -0.648 0.000 1.005 135 S CB -0.429 62.343 63.200 -0.714 0.000 0.867 135 S HN 0.626 nan 8.310 nan 0.000 0.449 136 A N 1.620 123.882 122.820 -0.930 0.000 1.855 136 A HA 0.133 4.466 4.320 0.022 0.000 0.215 136 A C 2.389 179.826 177.584 -0.245 0.000 1.191 136 A CA 1.730 53.412 52.037 -0.591 0.000 0.613 136 A CB -1.242 17.588 19.000 -0.283 0.000 0.829 136 A HN 0.517 nan 8.150 nan 0.000 0.442 137 A N -0.188 122.504 122.820 -0.214 0.000 1.940 137 A HA 0.131 4.464 4.320 0.022 0.000 0.219 137 A C 2.491 179.977 177.584 -0.164 0.000 1.176 137 A CA 2.216 54.166 52.037 -0.144 0.000 0.631 137 A CB -1.001 17.928 19.000 -0.117 0.000 0.814 137 A HN 1.069 nan 8.150 nan 0.000 0.446 138 A N -0.690 121.988 122.820 -0.236 0.000 1.877 138 A HA 0.003 4.336 4.320 0.022 0.000 0.216 138 A C 2.232 179.744 177.584 -0.120 0.000 1.186 138 A CA 1.819 53.734 52.037 -0.204 0.000 0.620 138 A CB -0.878 17.883 19.000 -0.399 0.000 0.822 138 A HN 0.394 nan 8.150 nan 0.000 0.443 139 V N -0.193 119.644 119.914 -0.129 0.000 2.453 139 V HA -0.120 4.013 4.120 0.022 0.000 0.247 139 V C 2.792 178.867 176.094 -0.032 0.000 1.048 139 V CA 1.789 64.059 62.300 -0.050 0.000 1.049 139 V CB -1.306 30.519 31.823 0.003 0.000 0.672 139 V HN 0.612 nan 8.190 nan 0.000 0.457 140 G N -0.195 108.578 108.800 -0.045 0.000 2.422 140 G HA2 -0.175 3.798 3.960 0.022 0.000 0.218 140 G HA3 -0.175 3.798 3.960 0.022 0.000 0.218 140 G C 1.511 176.342 174.900 -0.115 0.000 1.146 140 G CA 0.831 45.906 45.100 -0.042 0.000 0.769 140 G HN 0.620 nan 8.290 nan 0.000 0.547 141 A N -0.006 122.741 122.820 -0.122 0.000 2.252 141 A HA 0.454 4.788 4.320 0.022 0.000 0.207 141 A C 1.956 179.499 177.584 -0.068 0.000 1.194 141 A CA 1.212 53.178 52.037 -0.118 0.000 0.809 141 A CB -0.680 18.258 19.000 -0.102 0.000 0.814 141 A HN 1.607 nan 8.150 nan 0.000 0.482 142 G N -1.022 107.749 108.800 -0.048 0.000 2.221 142 G HA2 -0.329 3.645 3.960 0.022 0.000 0.265 142 G HA3 -0.329 3.645 3.960 0.022 0.000 0.265 142 G C 0.680 175.568 174.900 -0.021 0.000 1.041 142 G CA 0.761 45.845 45.100 -0.028 0.000 0.807 142 G HN 0.436 nan 8.290 nan 0.000 0.502 143 M N -0.712 118.881 119.600 -0.013 0.000 2.394 143 M HA 0.311 4.804 4.480 0.022 0.000 0.266 143 M C 1.418 177.721 176.300 0.004 0.000 1.098 143 M CA 1.381 56.686 55.300 0.008 0.000 1.149 143 M CB 0.117 32.764 32.600 0.079 0.000 1.369 143 M HN 0.585 nan 8.290 nan 0.000 0.450 144 I N -3.877 116.697 120.570 0.007 0.000 2.913 144 I HA 0.375 4.558 4.170 0.022 0.000 0.302 144 I C -2.457 173.656 176.117 -0.006 0.000 1.246 144 I CA -2.064 59.237 61.300 0.002 0.000 1.010 144 I CB 1.959 39.982 38.000 0.039 0.000 1.259 144 I HN -0.227 nan 8.210 nan 0.000 0.434 145 P HA 0.156 nan 4.420 nan 0.000 0.245 145 P C -0.208 177.090 177.300 -0.003 0.000 1.206 145 P CA 0.542 63.635 63.100 -0.011 0.000 0.781 145 P CB 0.756 32.445 31.700 -0.018 0.000 0.994 146 L N -1.114 120.114 121.223 0.008 0.000 2.622 146 L HA 0.753 5.106 4.340 0.022 0.000 0.258 146 L C -2.062 174.829 176.870 0.035 0.000 0.996 146 L CA -0.926 53.929 54.840 0.024 0.000 0.858 146 L CB 1.999 44.062 42.059 0.008 0.000 1.449 146 L HN -0.084 nan 8.230 nan 0.000 0.411 147 A N 2.881 125.748 122.820 0.079 0.000 2.594 147 A HA 0.742 5.075 4.320 0.022 0.000 0.296 147 A C -2.147 175.539 177.584 0.171 0.000 1.061 147 A CA -0.503 51.573 52.037 0.065 0.000 0.689 147 A CB 1.258 20.226 19.000 -0.053 0.000 1.280 147 A HN 0.650 nan 8.150 nan 0.000 0.406 148 L N 1.427 122.717 121.223 0.112 0.000 2.322 148 L HA 0.793 5.146 4.340 0.022 0.000 0.279 148 L C 0.785 177.764 176.870 0.182 0.000 1.036 148 L CA -0.304 54.622 54.840 0.145 0.000 0.807 148 L CB 1.987 44.090 42.059 0.073 0.000 1.226 148 L HN 1.010 nan 8.230 nan 0.000 0.433 149 G N 0.450 109.412 108.800 0.269 0.000 2.827 149 G HA2 0.726 4.699 3.960 0.022 0.000 0.296 149 G HA3 0.726 4.699 3.960 0.022 0.000 0.296 149 G C -1.180 173.833 174.900 0.188 0.000 1.362 149 G CA -0.199 45.073 45.100 0.287 0.000 0.809 149 G HN 0.543 nan 8.290 nan 0.000 0.522 150 T N -2.852 111.805 114.554 0.171 0.000 2.868 150 T HA 0.703 5.066 4.350 0.022 0.000 0.306 150 T C -1.143 173.627 174.700 0.116 0.000 1.224 150 T CA -0.627 61.548 62.100 0.126 0.000 1.012 150 T CB 2.235 71.173 68.868 0.117 0.000 1.221 150 T HN 0.733 nan 8.240 nan 0.000 0.499 151 Q N 0.442 120.305 119.800 0.105 0.000 2.304 151 Q HA 0.600 4.953 4.340 0.022 0.000 0.270 151 Q C -0.558 175.497 176.000 0.092 0.000 1.035 151 Q CA -0.662 55.194 55.803 0.089 0.000 0.781 151 Q CB 2.119 30.910 28.738 0.087 0.000 1.261 151 Q HN 0.864 nan 8.270 nan 0.000 0.444 152 T N 1.455 116.029 114.554 0.033 0.000 3.075 152 T HA 0.244 4.607 4.350 0.022 0.000 0.251 152 T C 0.699 175.435 174.700 0.060 0.000 0.979 152 T CA 0.719 62.818 62.100 -0.001 0.000 1.033 152 T CB 0.464 69.215 68.868 -0.195 0.000 1.104 152 T HN 0.671 nan 8.240 nan 0.000 0.473 153 G N 0.475 109.268 108.800 -0.010 0.000 2.687 153 G HA2 0.478 4.451 3.960 0.022 0.000 0.222 153 G HA3 0.478 4.451 3.960 0.022 0.000 0.222 153 G C 0.875 175.754 174.900 -0.035 0.000 1.445 153 G CA 0.580 45.650 45.100 -0.050 0.000 0.836 153 G HN 0.530 nan 8.290 nan 0.000 0.598 154 G N -0.149 108.644 108.800 -0.011 0.000 5.284 154 G HA2 0.312 4.285 3.960 0.022 0.000 0.236 154 G HA3 0.312 4.285 3.960 0.022 0.000 0.236 154 G C 0.657 175.571 174.900 0.024 0.000 0.870 154 G CA 0.681 45.795 45.100 0.023 0.000 0.724 154 G HN 0.244 nan 8.290 nan 0.000 0.336 155 S N 0.109 115.832 115.700 0.039 0.000 2.653 155 S HA 0.037 4.521 4.470 0.022 0.000 0.233 155 S C 1.839 176.533 174.600 0.157 0.000 0.970 155 S CA 0.600 58.845 58.200 0.076 0.000 0.947 155 S CB 0.354 63.597 63.200 0.073 0.000 0.771 155 S HN 0.266 nan 8.310 nan 0.000 0.538 156 V N 0.473 120.450 119.914 0.104 0.000 2.840 156 V HA 0.104 4.237 4.120 0.022 0.000 0.234 156 V C 1.919 177.991 176.094 -0.038 0.000 1.159 156 V CA 0.240 62.573 62.300 0.055 0.000 1.194 156 V CB -0.187 31.572 31.823 -0.106 0.000 0.971 156 V HN 0.327 nan 8.190 nan 0.000 0.494 157 I N 0.782 121.328 120.570 -0.040 0.000 2.179 157 I HA -0.188 3.995 4.170 0.022 0.000 0.242 157 I C 2.537 178.626 176.117 -0.047 0.000 1.088 157 I CA 1.784 63.058 61.300 -0.043 0.000 1.357 157 I CB -1.136 36.866 38.000 0.004 0.000 1.051 157 I HN 0.320 nan 8.210 nan 0.000 0.409 158 R N 1.434 121.886 120.500 -0.080 0.000 2.070 158 R HA -0.123 4.231 4.340 0.022 0.000 0.232 158 R C -0.430 175.641 176.300 -0.382 0.000 1.138 158 R CA 2.011 57.941 56.100 -0.283 0.000 0.936 158 R CB -1.186 28.922 30.300 -0.321 0.000 0.839 158 R HN 0.223 nan 8.270 nan 0.000 0.429 159 P HA -0.121 nan 4.420 nan 0.000 0.218 159 P C 0.797 178.202 177.300 0.176 0.000 1.149 159 P CA 1.893 65.020 63.100 0.044 0.000 0.817 159 P CB -0.032 31.743 31.700 0.126 0.000 0.785 160 A N 0.794 123.764 122.820 0.249 0.000 1.877 160 A HA -0.047 4.287 4.320 0.022 0.000 0.216 160 A C 2.542 180.211 177.584 0.141 0.000 1.186 160 A CA 2.197 54.392 52.037 0.262 0.000 0.620 160 A CB -1.548 17.523 19.000 0.119 0.000 0.822 160 A HN 0.231 nan 8.150 nan 0.000 0.443 161 A N -1.272 121.584 122.820 0.061 0.000 1.877 161 A HA -0.133 4.201 4.320 0.022 0.000 0.216 161 A C 2.142 179.831 177.584 0.174 0.000 1.186 161 A CA 1.450 53.525 52.037 0.064 0.000 0.620 161 A CB -0.962 18.041 19.000 0.006 0.000 0.822 161 A HN 0.675 nan 8.150 nan 0.000 0.443 162 Y N -1.140 119.203 120.300 0.072 0.000 2.207 162 Y HA -0.280 4.283 4.550 0.023 0.000 0.287 162 Y C 2.163 178.117 175.900 0.091 0.000 1.156 162 Y CA 0.755 58.892 58.100 0.060 0.000 1.182 162 Y CB -0.178 38.325 38.460 0.072 0.000 0.979 162 Y HN 0.373 nan 8.280 nan 0.000 0.521 163 C N -0.248 119.229 119.300 0.296 0.000 2.855 163 C HA 0.335 4.809 4.460 0.022 0.000 0.279 163 C C 1.659 176.849 174.990 0.333 0.000 1.270 163 C CA 0.394 59.597 59.018 0.308 0.000 1.702 163 C CB -0.684 27.168 27.740 0.187 0.000 1.949 163 C HN 0.782 nan 8.230 nan 0.000 0.618 164 G N 2.579 111.489 108.800 0.183 0.000 2.225 164 G HA2 -0.231 3.742 3.960 0.022 0.000 0.267 164 G HA3 -0.231 3.742 3.960 0.022 0.000 0.267 164 G C 0.166 175.140 174.900 0.123 0.000 1.024 164 G CA 0.904 46.071 45.100 0.110 0.000 0.784 164 G HN 0.691 nan 8.290 nan 0.000 0.507 165 T N -2.745 111.889 114.554 0.134 0.000 2.945 165 T HA 0.860 5.223 4.350 0.022 0.000 0.286 165 T C 0.489 175.230 174.700 0.068 0.000 1.025 165 T CA 0.306 62.473 62.100 0.112 0.000 1.039 165 T CB 2.239 71.208 68.868 0.168 0.000 1.068 165 T HN 1.663 nan 8.240 nan 0.000 0.497 166 A N 1.051 123.884 122.820 0.022 0.000 2.332 166 A HA 0.826 5.159 4.320 0.022 0.000 0.258 166 A C 0.397 177.937 177.584 -0.074 0.000 1.087 166 A CA -0.229 51.787 52.037 -0.035 0.000 0.802 166 A CB -0.300 18.660 19.000 -0.067 0.000 1.042 166 A HN 1.893 nan 8.150 nan 0.000 0.489 167 A N 0.382 123.109 122.820 -0.154 0.000 2.599 167 A HA 0.652 4.985 4.320 0.022 0.000 0.294 167 A C -1.143 176.282 177.584 -0.265 0.000 1.055 167 A CA -0.194 51.647 52.037 -0.327 0.000 0.683 167 A CB 0.686 19.346 19.000 -0.567 0.000 1.278 167 A HN 1.686 nan 8.150 nan 0.000 0.412 168 I N 0.553 120.944 120.570 -0.299 0.000 2.656 168 I HA 0.557 4.741 4.170 0.022 0.000 0.292 168 I C -0.976 175.036 176.117 -0.175 0.000 1.144 168 I CA -0.557 60.630 61.300 -0.189 0.000 1.038 168 I CB 1.856 39.774 38.000 -0.136 0.000 1.244 168 I HN 0.687 nan 8.210 nan 0.000 0.420 169 K N 8.865 129.207 120.400 -0.097 0.000 2.404 169 K HA 0.543 4.876 4.320 0.022 0.000 0.257 169 K C -2.689 173.912 176.600 0.002 0.000 1.026 169 K CA -1.739 54.528 56.287 -0.035 0.000 0.951 169 K CB 1.316 33.828 32.500 0.021 0.000 1.203 169 K HN 0.271 nan 8.250 nan 0.000 0.446 170 P HA -0.009 nan 4.420 nan 0.000 0.274 170 P C -0.626 176.692 177.300 0.031 0.000 1.264 170 P CA -0.273 62.829 63.100 0.004 0.000 0.795 170 P CB 0.490 32.185 31.700 -0.009 0.000 1.064 171 S N -0.297 115.376 115.700 -0.045 0.000 2.563 171 S HA 0.040 4.523 4.470 0.022 0.000 0.284 171 S C 0.156 174.831 174.600 0.126 0.000 1.331 171 S CA -0.171 57.957 58.200 -0.120 0.000 1.047 171 S CB -0.519 62.277 63.200 -0.673 0.000 0.859 171 S HN 0.276 nan 8.310 nan 0.000 0.514 172 F N 3.250 123.340 119.950 0.235 0.000 2.635 172 F HA 0.007 4.546 4.527 0.020 0.000 0.379 172 F C 1.558 177.505 175.800 0.244 0.000 1.094 172 F CA 0.478 58.642 58.000 0.272 0.000 1.300 172 F CB -0.109 39.098 39.000 0.345 0.000 1.035 172 F HN 0.770 nan 8.300 nan 0.000 0.581 173 R N 2.354 122.545 120.500 -0.516 0.000 3.977 173 R HA -0.319 4.035 4.340 0.022 0.000 0.428 173 R C 1.593 177.827 176.300 -0.109 0.000 1.079 173 R CA 1.327 57.195 56.100 -0.387 0.000 1.269 173 R CB -1.884 28.212 30.300 -0.340 0.000 1.856 173 R HN 0.824 nan 8.270 nan 0.000 0.551 174 M N 0.811 120.388 119.600 -0.038 0.000 2.067 174 M HA -0.060 4.434 4.480 0.022 0.000 0.260 174 M C 0.435 176.730 176.300 -0.008 0.000 1.069 174 M CA 1.745 57.044 55.300 -0.001 0.000 1.117 174 M CB 0.237 32.849 32.600 0.019 0.000 1.334 174 M HN 0.154 nan 8.290 nan 0.000 0.407 175 L N 2.389 123.598 121.223 -0.023 0.000 2.292 175 L HA 0.341 4.695 4.340 0.022 0.000 0.284 175 L C -1.998 174.852 176.870 -0.033 0.000 1.065 175 L CA -2.186 52.642 54.840 -0.020 0.000 0.806 175 L CB 0.590 42.638 42.059 -0.018 0.000 1.175 175 L HN 0.140 nan 8.230 nan 0.000 0.431 176 P HA 0.061 nan 4.420 nan 0.000 0.271 176 P C 0.121 177.419 177.300 -0.004 0.000 1.218 176 P CA -0.261 62.828 63.100 -0.019 0.000 0.780 176 P CB 0.884 32.582 31.700 -0.003 0.000 0.901 177 T N -2.228 112.327 114.554 0.001 0.000 3.186 177 T HA 0.168 4.532 4.350 0.022 0.000 0.257 177 T C 0.651 175.381 174.700 0.050 0.000 1.029 177 T CA -0.358 61.764 62.100 0.037 0.000 0.916 177 T CB -0.511 68.393 68.868 0.060 0.000 1.041 177 T HN 0.084 nan 8.240 nan 0.000 0.562 178 V N 2.074 122.009 119.914 0.035 0.000 2.585 178 V HA 0.461 4.594 4.120 0.022 0.000 0.296 178 V C 1.656 177.779 176.094 0.048 0.000 1.035 178 V CA 0.992 63.315 62.300 0.039 0.000 1.084 178 V CB -0.021 31.819 31.823 0.027 0.000 0.953 178 V HN 0.833 nan 8.190 nan 0.000 0.483 179 G N 3.753 112.589 108.800 0.059 0.000 2.153 179 G HA2 -0.189 3.784 3.960 0.022 0.000 0.252 179 G HA3 -0.189 3.784 3.960 0.022 0.000 0.252 179 G C -0.103 174.842 174.900 0.075 0.000 0.994 179 G CA 0.103 45.245 45.100 0.070 0.000 0.698 179 G HN 0.864 nan 8.290 nan 0.000 0.521 180 V N 0.404 120.365 119.914 0.077 0.000 2.376 180 V HA 0.460 4.593 4.120 0.022 0.000 0.287 180 V C 0.607 176.760 176.094 0.098 0.000 1.015 180 V CA -1.288 61.062 62.300 0.085 0.000 0.834 180 V CB 1.625 33.500 31.823 0.085 0.000 1.001 180 V HN 0.364 nan 8.190 nan 0.000 0.428 181 K N 3.817 124.270 120.400 0.089 0.000 2.404 181 K HA -0.052 4.281 4.320 0.022 0.000 0.271 181 K C -0.151 176.534 176.600 0.143 0.000 1.130 181 K CA 0.417 56.760 56.287 0.092 0.000 1.181 181 K CB -0.449 32.092 32.500 0.068 0.000 0.840 181 K HN 0.811 nan 8.250 nan 0.000 0.483 182 C N 6.253 125.641 119.300 0.147 0.000 2.593 182 C HA 0.278 4.752 4.460 0.022 0.000 0.409 182 C C 1.006 176.116 174.990 0.201 0.000 1.304 182 C CA -0.553 58.586 59.018 0.201 0.000 2.007 182 C CB -0.673 27.207 27.740 0.234 0.000 2.614 182 C HN 0.931 nan 8.230 nan 0.000 0.585 183 Y N 3.210 123.567 120.300 0.095 0.000 2.472 183 Y HA 0.317 4.881 4.550 0.023 0.000 0.288 183 Y C 1.213 177.096 175.900 -0.029 0.000 1.154 183 Y CA 1.147 59.266 58.100 0.030 0.000 1.238 183 Y CB -0.037 38.447 38.460 0.041 0.000 1.287 183 Y HN 0.655 nan 8.280 nan 0.000 0.524 184 S N 0.183 116.050 115.700 0.277 0.000 2.737 184 S HA 0.180 4.663 4.470 0.022 0.000 0.269 184 S C -0.121 174.503 174.600 0.040 0.000 1.150 184 S CA -0.487 57.705 58.200 -0.014 0.000 1.077 184 S CB -0.565 62.595 63.200 -0.067 0.000 1.075 184 S HN 0.426 nan 8.310 nan 0.000 0.476 185 W N 4.226 125.634 121.300 0.180 0.000 2.421 185 W HA 0.116 4.789 4.660 0.022 0.000 0.270 185 W C 1.430 178.148 176.519 0.332 0.000 1.233 185 W CA 1.034 58.511 57.345 0.219 0.000 1.226 185 W CB -0.717 28.844 29.460 0.168 0.000 1.121 185 W HN 0.688 nan 8.180 nan 0.000 0.579 186 A N 0.196 123.021 122.820 0.007 0.000 2.169 186 A HA 0.201 4.535 4.320 0.022 0.000 0.212 186 A C 1.890 179.359 177.584 -0.191 0.000 1.153 186 A CA 1.087 53.145 52.037 0.035 0.000 0.756 186 A CB -0.361 18.543 19.000 -0.160 0.000 0.813 186 A HN 0.471 nan 8.150 nan 0.000 0.471 187 L N -1.607 119.616 121.223 -0.000 0.000 2.586 187 L HA 0.166 4.519 4.340 0.022 0.000 0.204 187 L C -0.366 176.691 176.870 0.312 0.000 1.053 187 L CA -0.362 54.475 54.840 -0.005 0.000 0.856 187 L CB -0.319 41.692 42.059 -0.081 0.000 1.192 187 L HN -0.003 nan 8.230 nan 0.000 0.484 188 D N 2.284 122.869 120.400 0.307 0.000 2.793 188 D HA 0.044 4.697 4.640 0.022 0.000 0.230 188 D C -0.235 176.271 176.300 0.343 0.000 1.139 188 D CA 1.030 55.201 54.000 0.284 0.000 0.838 188 D CB 0.397 41.350 40.800 0.254 0.000 1.149 188 D HN 0.075 nan 8.370 nan 0.000 0.526 189 T N 1.401 116.106 114.554 0.252 0.000 2.921 189 T HA 0.338 4.702 4.350 0.022 0.000 0.297 189 T C 0.032 174.805 174.700 0.121 0.000 1.013 189 T CA -0.761 61.462 62.100 0.205 0.000 0.990 189 T CB 1.595 70.639 68.868 0.293 0.000 1.023 189 T HN -0.016 nan 8.240 nan 0.000 0.447 190 V N 2.452 122.410 119.914 0.074 0.000 2.686 190 V HA 0.699 4.833 4.120 0.022 0.000 0.295 190 V C 0.939 177.049 176.094 0.027 0.000 1.055 190 V CA -0.048 62.284 62.300 0.054 0.000 1.050 190 V CB 1.197 33.040 31.823 0.033 0.000 0.984 190 V HN 1.088 nan 8.190 nan 0.000 0.482 191 G N 3.190 112.002 108.800 0.019 0.000 2.680 191 G HA2 0.724 4.698 3.960 0.022 0.000 0.290 191 G HA3 0.724 4.698 3.960 0.022 0.000 0.290 191 G C -1.851 173.004 174.900 -0.075 0.000 1.355 191 G CA -0.697 44.364 45.100 -0.065 0.000 0.903 191 G HN 0.440 nan 8.290 nan 0.000 0.474 192 L N -0.550 120.555 121.223 -0.197 0.000 2.354 192 L HA 0.717 5.070 4.340 0.022 0.000 0.269 192 L C -1.117 175.562 176.870 -0.317 0.000 1.005 192 L CA -0.575 54.188 54.840 -0.129 0.000 0.819 192 L CB 1.967 43.958 42.059 -0.112 0.000 1.311 192 L HN 0.415 nan 8.230 nan 0.000 0.423 193 F N 0.418 120.337 119.950 -0.052 0.000 2.507 193 F HA 0.812 5.354 4.527 0.025 0.000 0.325 193 F C 0.638 176.404 175.800 -0.057 0.000 1.116 193 F CA -0.525 57.445 58.000 -0.050 0.000 0.930 193 F CB 2.175 41.146 39.000 -0.048 0.000 1.146 193 F HN 0.466 nan 8.300 nan 0.000 0.447 194 G N 0.356 109.205 108.800 0.082 0.000 2.721 194 G HA2 0.556 4.530 3.960 0.022 0.000 0.296 194 G HA3 0.556 4.530 3.960 0.022 0.000 0.296 194 G C -0.101 174.802 174.900 0.005 0.000 1.383 194 G CA -0.203 44.908 45.100 0.019 0.000 0.788 194 G HN 0.752 nan 8.290 nan 0.000 0.500 195 A N -0.656 122.148 122.820 -0.027 0.000 1.874 195 A HA 0.394 4.727 4.320 0.022 0.000 0.214 195 A C 1.387 178.932 177.584 -0.065 0.000 1.189 195 A CA 0.980 52.998 52.037 -0.032 0.000 0.615 195 A CB -0.087 18.889 19.000 -0.039 0.000 0.830 195 A HN 0.562 nan 8.150 nan 0.000 0.443 196 R N -3.587 116.840 120.500 -0.122 0.000 2.888 196 R HA 0.591 4.944 4.340 0.022 0.000 0.264 196 R C 1.043 177.201 176.300 -0.237 0.000 1.045 196 R CA -0.132 55.858 56.100 -0.184 0.000 0.962 196 R CB 1.228 31.373 30.300 -0.258 0.000 1.210 196 R HN 0.155 nan 8.270 nan 0.000 0.479 197 A N 0.783 123.441 122.820 -0.270 0.000 1.917 197 A HA -0.259 4.074 4.320 0.022 0.000 0.219 197 A C 1.917 179.296 177.584 -0.341 0.000 1.182 197 A CA 2.221 54.119 52.037 -0.232 0.000 0.633 197 A CB -0.605 18.322 19.000 -0.122 0.000 0.819 197 A HN 0.897 nan 8.150 nan 0.000 0.448 198 E N -0.182 119.594 120.200 -0.706 0.000 2.118 198 E HA -0.254 4.109 4.350 0.022 0.000 0.195 198 E C 1.191 177.592 176.600 -0.333 0.000 0.992 198 E CA 1.463 57.416 56.400 -0.745 0.000 0.804 198 E CB -0.205 28.782 29.700 -1.189 0.000 0.741 198 E HN 0.615 nan 8.360 nan 0.000 0.458 199 D N 0.730 120.966 120.400 -0.272 0.000 2.117 199 D HA -0.154 4.499 4.640 0.022 0.000 0.198 199 D C 2.216 178.437 176.300 -0.133 0.000 0.982 199 D CA 0.911 54.815 54.000 -0.161 0.000 0.828 199 D CB -0.197 40.526 40.800 -0.128 0.000 0.967 199 D HN 0.324 nan 8.370 nan 0.000 0.464 200 L N 0.930 122.066 121.223 -0.145 0.000 2.046 200 L HA -0.143 4.210 4.340 0.022 0.000 0.208 200 L C 2.686 179.462 176.870 -0.156 0.000 1.077 200 L CA 1.058 55.813 54.840 -0.141 0.000 0.747 200 L CB -0.557 41.419 42.059 -0.139 0.000 0.896 200 L HN -0.033 nan 8.230 nan 0.000 0.432 201 A N 0.184 122.938 122.820 -0.111 0.000 1.865 201 A HA -0.194 4.139 4.320 0.022 0.000 0.217 201 A C 2.372 179.919 177.584 -0.062 0.000 1.191 201 A CA 1.399 53.408 52.037 -0.046 0.000 0.623 201 A CB -0.429 18.624 19.000 0.088 0.000 0.826 201 A HN 0.257 nan 8.150 nan 0.000 0.444 202 R N -0.411 120.060 120.500 -0.048 0.000 2.127 202 R HA -0.112 4.241 4.340 0.022 0.000 0.238 202 R C 2.280 178.544 176.300 -0.061 0.000 1.134 202 R CA 1.270 57.352 56.100 -0.029 0.000 0.975 202 R CB -1.562 28.720 30.300 -0.028 0.000 0.865 202 R HN 0.557 nan 8.270 nan 0.000 0.447 203 G N 1.081 109.821 108.800 -0.099 0.000 2.404 203 G HA2 -0.180 3.793 3.960 0.022 0.000 0.215 203 G HA3 -0.180 3.793 3.960 0.022 0.000 0.215 203 G C 1.625 176.431 174.900 -0.156 0.000 1.174 203 G CA 0.247 45.283 45.100 -0.106 0.000 0.780 203 G HN 0.190 nan 8.290 nan 0.000 0.537 204 L N -0.176 120.876 121.223 -0.286 0.000 2.083 204 L HA -0.025 4.328 4.340 0.022 0.000 0.209 204 L C 2.708 179.399 176.870 -0.298 0.000 1.083 204 L CA 0.490 55.047 54.840 -0.471 0.000 0.752 204 L CB -0.469 40.911 42.059 -1.132 0.000 0.899 204 L HN 0.239 nan 8.230 nan 0.000 0.433 205 L N 0.557 121.689 121.223 -0.150 0.000 2.012 205 L HA -0.194 4.159 4.340 0.022 0.000 0.210 205 L C 2.620 179.508 176.870 0.029 0.000 1.073 205 L CA 2.206 57.079 54.840 0.055 0.000 0.748 205 L CB -0.764 41.352 42.059 0.095 0.000 0.891 205 L HN 0.141 nan 8.230 nan 0.000 0.431 206 A N -0.896 121.919 122.820 -0.008 0.000 1.930 206 A HA -0.188 4.146 4.320 0.022 0.000 0.217 206 A C 2.269 179.849 177.584 -0.006 0.000 1.175 206 A CA 2.006 54.042 52.037 -0.002 0.000 0.627 206 A CB -0.532 18.462 19.000 -0.010 0.000 0.815 206 A HN 0.568 nan 8.150 nan 0.000 0.443 207 M N -0.545 119.037 119.600 -0.031 0.000 2.156 207 M HA -0.098 4.395 4.480 0.022 0.000 0.264 207 M C 2.306 178.605 176.300 -0.002 0.000 1.067 207 M CA 1.975 57.260 55.300 -0.026 0.000 1.131 207 M CB -0.293 32.273 32.600 -0.057 0.000 1.368 207 M HN 0.692 nan 8.290 nan 0.000 0.416 208 T N -4.297 110.266 114.554 0.015 0.000 3.018 208 T HA 0.318 4.681 4.350 0.022 0.000 0.246 208 T C 1.512 176.263 174.700 0.084 0.000 1.026 208 T CA 0.726 62.864 62.100 0.064 0.000 1.081 208 T CB 0.309 69.254 68.868 0.129 0.000 0.970 208 T HN 0.529 nan 8.240 nan 0.000 0.475 209 G N 2.178 111.036 108.800 0.096 0.000 2.148 209 G HA2 -0.263 3.710 3.960 0.022 0.000 0.254 209 G HA3 -0.263 3.710 3.960 0.022 0.000 0.254 209 G C 0.071 175.030 174.900 0.099 0.000 0.981 209 G CA -0.022 45.128 45.100 0.084 0.000 0.670 209 G HN 0.722 nan 8.290 nan 0.000 0.528 210 R N 0.691 121.290 120.500 0.165 0.000 2.347 210 R HA 0.418 4.772 4.340 0.022 0.000 0.304 210 R C 1.988 178.325 176.300 0.062 0.000 1.072 210 R CA 0.368 56.533 56.100 0.108 0.000 0.980 210 R CB 0.830 31.215 30.300 0.142 0.000 0.986 210 R HN 0.439 nan 8.270 nan 0.000 0.448 211 S N 2.328 118.020 115.700 -0.013 0.000 2.419 211 S HA -0.189 4.294 4.470 0.022 0.000 0.233 211 S C 1.571 176.123 174.600 -0.079 0.000 1.016 211 S CA 1.209 59.395 58.200 -0.023 0.000 0.974 211 S CB -0.078 63.104 63.200 -0.030 0.000 0.786 211 S HN 0.768 nan 8.310 nan 0.000 0.492 212 E N 1.259 121.325 120.200 -0.224 0.000 2.333 212 E HA -0.148 4.215 4.350 0.022 0.000 0.198 212 E C 1.060 177.476 176.600 -0.307 0.000 1.007 212 E CA 0.828 57.031 56.400 -0.328 0.000 0.845 212 E CB -0.742 28.653 29.700 -0.508 0.000 0.766 212 E HN 0.764 nan 8.360 nan 0.000 0.507 213 F N 1.186 121.144 119.950 0.014 0.000 2.765 213 F HA 0.169 4.710 4.527 0.024 0.000 0.302 213 F C 1.203 177.026 175.800 0.040 0.000 1.111 213 F CA -0.303 57.714 58.000 0.027 0.000 1.359 213 F CB 0.627 39.635 39.000 0.015 0.000 1.097 213 F HN -0.143 nan 8.300 nan 0.000 0.577 214 S N 0.057 115.849 115.700 0.153 0.000 2.442 214 S HA 0.497 4.980 4.470 0.022 0.000 0.297 214 S C 0.737 175.391 174.600 0.090 0.000 1.131 214 S CA 0.144 58.413 58.200 0.115 0.000 1.092 214 S CB 0.867 64.113 63.200 0.076 0.000 0.998 214 S HN 0.609 nan 8.310 nan 0.000 0.478 215 G N 4.564 113.428 108.800 0.107 0.000 2.176 215 G HA2 -0.211 3.762 3.960 0.022 0.000 0.252 215 G HA3 -0.211 3.762 3.960 0.022 0.000 0.252 215 G C 0.134 175.091 174.900 0.094 0.000 1.024 215 G CA 0.191 45.344 45.100 0.089 0.000 0.755 215 G HN 0.766 nan 8.290 nan 0.000 0.507 216 I N -0.543 120.127 120.570 0.167 0.000 2.813 216 I HA 0.349 4.533 4.170 0.022 0.000 0.287 216 I C 0.796 176.985 176.117 0.121 0.000 1.196 216 I CA 0.188 61.596 61.300 0.181 0.000 1.421 216 I CB 1.248 39.433 38.000 0.309 0.000 1.365 216 I HN 0.051 nan 8.210 nan 0.000 0.591 217 V N 7.376 127.245 119.914 -0.075 0.000 3.078 217 V HA 0.488 4.621 4.120 0.022 0.000 0.311 217 V C -2.426 173.378 176.094 -0.483 0.000 1.138 217 V CA -2.110 59.928 62.300 -0.436 0.000 1.007 217 V CB 2.584 34.244 31.823 -0.273 0.000 1.045 217 V HN 0.505 nan 8.190 nan 0.000 0.432 218 P HA 0.228 nan 4.420 nan 0.000 0.264 218 P C -0.618 176.603 177.300 -0.133 0.000 1.183 218 P CA 0.410 63.230 63.100 -0.467 0.000 0.763 218 P CB 0.433 31.784 31.700 -0.582 0.000 0.807 219 A N 3.842 126.677 122.820 0.024 0.000 2.366 219 A HA 0.320 4.653 4.320 0.022 0.000 0.249 219 A C 0.195 177.722 177.584 -0.095 0.000 1.084 219 A CA 0.183 52.210 52.037 -0.017 0.000 0.794 219 A CB 0.137 19.153 19.000 0.027 0.000 1.034 219 A HN 0.336 nan 8.150 nan 0.000 0.491 220 K N 0.402 120.721 120.400 -0.136 0.000 2.270 220 K HA 0.572 4.905 4.320 0.022 0.000 0.255 220 K C 0.085 176.554 176.600 -0.219 0.000 0.936 220 K CA 0.202 56.406 56.287 -0.138 0.000 0.809 220 K CB 1.502 33.964 32.500 -0.063 0.000 1.131 220 K HN 1.690 nan 8.250 nan 0.000 0.427 221 A N 2.773 125.442 122.820 -0.252 0.000 2.415 221 A HA -0.144 4.189 4.320 0.022 0.000 0.292 221 A C -2.200 175.225 177.584 -0.265 0.000 1.452 221 A CA -0.228 51.682 52.037 -0.213 0.000 0.750 221 A CB -1.898 17.045 19.000 -0.094 0.000 1.099 221 A HN 0.388 nan 8.150 nan 0.000 0.391 222 P HA 0.314 nan 4.420 nan 0.000 0.269 222 P C 0.098 177.290 177.300 -0.181 0.000 1.215 222 P CA 0.035 62.941 63.100 -0.324 0.000 0.780 222 P CB 0.456 31.851 31.700 -0.509 0.000 0.898 223 R N 2.566 123.010 120.500 -0.092 0.000 2.233 223 R HA 0.430 4.784 4.340 0.022 0.000 0.334 223 R C -0.287 175.980 176.300 -0.054 0.000 1.037 223 R CA -0.351 55.717 56.100 -0.054 0.000 0.920 223 R CB 0.162 30.451 30.300 -0.018 0.000 1.137 223 R HN 0.476 nan 8.270 nan 0.000 0.492 224 I N 1.456 121.991 120.570 -0.058 0.000 2.359 224 I HA 0.309 4.492 4.170 0.022 0.000 0.294 224 I C 0.810 176.888 176.117 -0.064 0.000 0.987 224 I CA -0.614 60.650 61.300 -0.059 0.000 1.225 224 I CB 1.929 39.904 38.000 -0.042 0.000 1.366 224 I HN 0.580 nan 8.210 nan 0.000 0.466 225 G N 5.880 114.626 108.800 -0.090 0.000 2.415 225 G HA2 0.493 4.466 3.960 0.022 0.000 0.317 225 G HA3 0.493 4.466 3.960 0.022 0.000 0.317 225 G C -0.587 174.252 174.900 -0.102 0.000 1.152 225 G CA -0.311 44.728 45.100 -0.100 0.000 0.956 225 G HN 0.361 nan 8.290 nan 0.000 0.458 226 V N 3.776 123.639 119.914 -0.086 0.000 2.389 226 V HA 0.314 4.447 4.120 0.022 0.000 0.264 226 V C 0.464 176.503 176.094 -0.092 0.000 1.049 226 V CA -0.439 61.799 62.300 -0.104 0.000 0.932 226 V CB 0.926 32.688 31.823 -0.102 0.000 1.011 226 V HN 0.680 nan 8.190 nan 0.000 0.475 227 V N 3.604 123.461 119.914 -0.095 0.000 2.448 227 V HA 0.590 4.723 4.120 0.022 0.000 0.295 227 V C 0.535 176.559 176.094 -0.117 0.000 1.025 227 V CA -0.733 61.548 62.300 -0.031 0.000 0.859 227 V CB 1.462 33.352 31.823 0.111 0.000 0.988 227 V HN 0.744 nan 8.190 nan 0.000 0.431 228 R N 1.640 122.065 120.500 -0.125 0.000 2.359 228 R HA 0.263 4.616 4.340 0.022 0.000 0.231 228 R C -0.007 176.254 176.300 -0.064 0.000 0.913 228 R CA -0.097 55.905 56.100 -0.164 0.000 1.075 228 R CB 0.093 30.355 30.300 -0.064 0.000 1.087 228 R HN 0.940 nan 8.270 nan 0.000 0.515 229 Q N 0.707 120.362 119.800 -0.243 0.000 2.439 229 Q HA -0.221 4.132 4.340 0.022 0.000 0.361 229 Q C -0.209 175.199 176.000 -0.987 0.000 1.408 229 Q CA 0.439 55.677 55.803 -0.942 0.000 1.052 229 Q CB -0.759 27.583 28.738 -0.659 0.000 1.233 229 Q HN 0.335 nan 8.270 nan 0.000 0.347 230 E N -0.002 119.789 120.200 -0.683 0.000 2.153 230 E HA -0.184 4.179 4.350 0.022 0.000 0.194 230 E C 1.243 177.526 176.600 -0.528 0.000 0.988 230 E CA 1.859 58.016 56.400 -0.405 0.000 0.811 230 E CB -0.311 29.282 29.700 -0.179 0.000 0.746 230 E HN 0.794 nan 8.360 nan 0.000 0.466 231 F N -0.385 119.234 119.950 -0.552 0.000 2.333 231 F HA 0.101 4.640 4.527 0.019 0.000 0.300 231 F C 2.036 177.191 175.800 -1.075 0.000 1.083 231 F CA 0.616 58.182 58.000 -0.724 0.000 1.395 231 F CB -0.669 37.800 39.000 -0.885 0.000 1.056 231 F HN -0.007 nan 8.300 nan 0.000 0.529 232 A N 0.410 122.428 122.820 -1.338 0.000 2.206 232 A HA 0.502 4.835 4.320 0.022 0.000 0.211 232 A C 1.537 178.794 177.584 -0.544 0.000 1.158 232 A CA 0.738 52.073 52.037 -1.170 0.000 0.761 232 A CB -1.260 17.062 19.000 -1.129 0.000 0.801 232 A HN 0.963 nan 8.150 nan 0.000 0.473 233 G N -1.919 106.660 108.800 -0.369 0.000 2.526 233 G HA2 0.390 4.363 3.960 0.022 0.000 0.250 233 G HA3 0.390 4.363 3.960 0.022 0.000 0.250 233 G C 0.024 174.896 174.900 -0.045 0.000 1.289 233 G CA -0.396 44.615 45.100 -0.149 0.000 0.947 233 G HN 1.554 nan 8.290 nan 0.000 0.517 234 A N -0.931 121.885 122.820 -0.008 0.000 2.401 234 A HA 0.683 5.016 4.320 0.022 0.000 0.259 234 A C 0.615 178.218 177.584 0.032 0.000 1.103 234 A CA 0.601 52.639 52.037 0.002 0.000 0.789 234 A CB 1.147 20.143 19.000 -0.008 0.000 1.035 234 A HN 2.170 nan 8.150 nan 0.000 0.491 235 V N 2.452 122.323 119.914 -0.072 0.000 2.834 235 V HA 0.315 4.448 4.120 0.022 0.000 0.313 235 V C 0.298 176.266 176.094 -0.209 0.000 1.060 235 V CA -0.637 61.510 62.300 -0.256 0.000 0.989 235 V CB 1.577 32.902 31.823 -0.831 0.000 1.041 235 V HN 1.036 nan 8.190 nan 0.000 0.459 236 E N 5.331 125.406 120.200 -0.209 0.000 2.343 236 E HA 0.221 4.584 4.350 0.022 0.000 0.269 236 E C -1.789 174.725 176.600 -0.144 0.000 1.047 236 E CA -1.330 54.993 56.400 -0.128 0.000 0.874 236 E CB 1.118 30.769 29.700 -0.081 0.000 1.033 236 E HN 0.518 nan 8.360 nan 0.000 0.409 237 P HA -0.317 nan 4.420 nan 0.000 0.214 237 P C 1.069 178.332 177.300 -0.062 0.000 1.169 237 P CA 2.042 65.103 63.100 -0.065 0.000 0.908 237 P CB 0.077 31.752 31.700 -0.042 0.000 0.791 238 A N -0.364 122.422 122.820 -0.058 0.000 1.958 238 A HA -0.266 4.067 4.320 0.022 0.000 0.221 238 A C 2.332 179.890 177.584 -0.043 0.000 1.178 238 A CA 2.657 54.666 52.037 -0.047 0.000 0.642 238 A CB -1.710 17.259 19.000 -0.051 0.000 0.816 238 A HN 0.242 nan 8.150 nan 0.000 0.453 239 A N -0.560 122.210 122.820 -0.084 0.000 1.902 239 A HA -0.132 4.201 4.320 0.022 0.000 0.217 239 A C 1.988 179.590 177.584 0.030 0.000 1.181 239 A CA 2.130 54.115 52.037 -0.087 0.000 0.623 239 A CB -0.466 18.341 19.000 -0.322 0.000 0.818 239 A HN 0.569 nan 8.150 nan 0.000 0.443 240 E N 0.096 120.290 120.200 -0.009 0.000 2.150 240 E HA -0.187 4.176 4.350 0.022 0.000 0.193 240 E C 2.055 178.695 176.600 0.068 0.000 0.985 240 E CA 1.690 58.164 56.400 0.124 0.000 0.814 240 E CB -0.353 29.374 29.700 0.046 0.000 0.752 240 E HN 0.712 nan 8.360 nan 0.000 0.466 241 Q N -0.547 119.265 119.800 0.020 0.000 2.050 241 Q HA -0.086 4.267 4.340 0.022 0.000 0.202 241 Q C 2.226 178.231 176.000 0.009 0.000 0.980 241 Q CA 1.558 57.365 55.803 0.006 0.000 0.840 241 Q CB -0.500 28.232 28.738 -0.010 0.000 0.898 241 Q HN 0.460 nan 8.270 nan 0.000 0.424 242 G N 0.954 109.763 108.800 0.014 0.000 2.446 242 G HA2 -0.273 3.701 3.960 0.022 0.000 0.217 242 G HA3 -0.273 3.701 3.960 0.022 0.000 0.217 242 G C 1.360 176.266 174.900 0.010 0.000 1.168 242 G CA 0.802 45.908 45.100 0.010 0.000 0.771 242 G HN 0.268 nan 8.290 nan 0.000 0.551 243 L N 0.382 121.625 121.223 0.033 0.000 2.079 243 L HA -0.069 4.284 4.340 0.022 0.000 0.210 243 L C 2.775 179.628 176.870 -0.028 0.000 1.081 243 L CA 2.033 56.862 54.840 -0.019 0.000 0.752 243 L CB -0.589 41.437 42.059 -0.055 0.000 0.896 243 L HN 0.329 nan 8.230 nan 0.000 0.433 244 Q N -1.153 118.643 119.800 -0.006 0.000 2.123 244 Q HA -0.069 4.284 4.340 0.022 0.000 0.199 244 Q C 2.252 178.245 176.000 -0.013 0.000 0.966 244 Q CA 1.253 57.049 55.803 -0.011 0.000 0.845 244 Q CB -0.228 28.509 28.738 -0.002 0.000 0.907 244 Q HN 0.689 nan 8.270 nan 0.000 0.439 245 A N 1.002 123.814 122.820 -0.012 0.000 1.933 245 A HA -0.122 4.211 4.320 0.022 0.000 0.218 245 A C 2.243 179.815 177.584 -0.021 0.000 1.175 245 A CA 1.559 53.587 52.037 -0.017 0.000 0.628 245 A CB -0.656 18.334 19.000 -0.018 0.000 0.814 245 A HN 0.395 nan 8.150 nan 0.000 0.444 246 A N 0.015 122.821 122.820 -0.022 0.000 1.898 246 A HA -0.056 4.278 4.320 0.022 0.000 0.216 246 A C 2.121 179.697 177.584 -0.013 0.000 1.181 246 A CA 1.464 53.487 52.037 -0.024 0.000 0.620 246 A CB -0.579 18.405 19.000 -0.027 0.000 0.819 246 A HN 0.490 nan 8.150 nan 0.000 0.442 247 I N -0.481 120.079 120.570 -0.016 0.000 2.179 247 I HA -0.273 3.911 4.170 0.022 0.000 0.242 247 I C 2.585 178.705 176.117 0.005 0.000 1.088 247 I CA 1.903 63.199 61.300 -0.006 0.000 1.357 247 I CB -0.295 37.693 38.000 -0.021 0.000 1.051 247 I HN 0.386 nan 8.210 nan 0.000 0.409 248 K N 1.368 121.766 120.400 -0.004 0.000 2.057 248 K HA -0.209 4.125 4.320 0.022 0.000 0.207 248 K C 2.196 178.794 176.600 -0.004 0.000 1.049 248 K CA 1.609 57.894 56.287 -0.003 0.000 0.931 248 K CB -0.100 32.395 32.500 -0.008 0.000 0.714 248 K HN 0.300 nan 8.250 nan 0.000 0.440 249 A N 1.074 123.883 122.820 -0.018 0.000 1.877 249 A HA -0.081 4.252 4.320 0.022 0.000 0.216 249 A C 2.337 179.897 177.584 -0.040 0.000 1.186 249 A CA 1.823 53.834 52.037 -0.043 0.000 0.620 249 A CB -0.797 18.161 19.000 -0.069 0.000 0.822 249 A HN 0.484 nan 8.150 nan 0.000 0.443 250 A N -0.385 122.439 122.820 0.007 0.000 1.933 250 A HA -0.181 4.153 4.320 0.022 0.000 0.218 250 A C 1.932 179.631 177.584 0.191 0.000 1.175 250 A CA 1.739 53.862 52.037 0.142 0.000 0.628 250 A CB -0.483 18.653 19.000 0.227 0.000 0.814 250 A HN 0.653 nan 8.150 nan 0.000 0.444 251 E N -0.676 119.580 120.200 0.094 0.000 2.047 251 E HA -0.163 4.200 4.350 0.022 0.000 0.191 251 E C 2.356 178.997 176.600 0.068 0.000 0.987 251 E CA 0.843 57.288 56.400 0.074 0.000 0.799 251 E CB -0.113 29.609 29.700 0.037 0.000 0.752 251 E HN 0.366 nan 8.360 nan 0.000 0.449 252 R N 0.444 120.968 120.500 0.040 0.000 2.091 252 R HA -0.102 4.252 4.340 0.022 0.000 0.238 252 R C 2.137 178.464 176.300 0.045 0.000 1.136 252 R CA 1.257 57.373 56.100 0.026 0.000 0.959 252 R CB -0.951 29.349 30.300 0.001 0.000 0.856 252 R HN 0.139 nan 8.270 nan 0.000 0.437 253 A N -0.088 122.765 122.820 0.055 0.000 2.216 253 A HA 0.135 4.468 4.320 0.022 0.000 0.214 253 A C 1.502 179.231 177.584 0.242 0.000 1.160 253 A CA 1.424 53.518 52.037 0.095 0.000 0.725 253 A CB -0.315 18.627 19.000 -0.097 0.000 0.784 253 A HN 0.523 nan 8.150 nan 0.000 0.472 254 G N -2.783 106.129 108.800 0.187 0.000 2.184 254 G HA2 0.163 4.136 3.960 0.022 0.000 0.206 254 G HA3 0.163 4.136 3.960 0.022 0.000 0.206 254 G C 0.451 175.407 174.900 0.093 0.000 0.995 254 G CA 0.207 45.386 45.100 0.130 0.000 0.651 254 G HN 1.520 nan 8.290 nan 0.000 0.511 255 A N 0.294 123.209 122.820 0.159 0.000 2.406 255 A HA 0.701 5.034 4.320 0.022 0.000 0.243 255 A C 0.963 178.556 177.584 0.016 0.000 1.082 255 A CA 1.039 53.093 52.037 0.029 0.000 0.786 255 A CB 0.425 19.492 19.000 0.111 0.000 1.029 255 A HN 1.944 nan 8.150 nan 0.000 0.495 256 S N 0.404 116.090 115.700 -0.023 0.000 2.433 256 S HA 0.599 5.082 4.470 0.022 0.000 0.310 256 S C -0.731 173.860 174.600 -0.015 0.000 1.097 256 S CA -0.593 57.598 58.200 -0.015 0.000 1.103 256 S CB 0.810 63.996 63.200 -0.024 0.000 0.992 256 S HN 0.811 nan 8.310 nan 0.000 0.469 257 V N 4.639 124.549 119.914 -0.007 0.000 2.540 257 V HA 0.656 4.789 4.120 0.022 0.000 0.302 257 V C -0.486 175.597 176.094 -0.019 0.000 1.035 257 V CA -0.672 61.620 62.300 -0.014 0.000 0.873 257 V CB 1.347 33.167 31.823 -0.004 0.000 0.992 257 V HN 1.023 nan 8.190 nan 0.000 0.428 258 Q N 3.407 123.190 119.800 -0.028 0.000 2.315 258 Q HA 0.849 5.203 4.340 0.022 0.000 0.273 258 Q C -0.869 175.110 176.000 -0.035 0.000 1.053 258 Q CA -0.790 54.996 55.803 -0.027 0.000 0.817 258 Q CB 2.351 31.074 28.738 -0.026 0.000 1.326 258 Q HN 0.816 nan 8.270 nan 0.000 0.423 259 A N 3.656 126.458 122.820 -0.030 0.000 2.371 259 A HA 0.740 5.073 4.320 0.022 0.000 0.257 259 A C -0.022 177.548 177.584 -0.023 0.000 1.089 259 A CA -0.533 51.485 52.037 -0.032 0.000 0.794 259 A CB 0.195 19.179 19.000 -0.026 0.000 1.029 259 A HN 0.840 nan 8.150 nan 0.000 0.488 260 I N -1.306 119.253 120.570 -0.018 0.000 2.752 260 I HA 0.479 4.663 4.170 0.022 0.000 0.295 260 I C -1.683 174.456 176.117 0.037 0.000 1.219 260 I CA -0.889 60.410 61.300 -0.001 0.000 1.030 260 I CB 2.455 40.441 38.000 -0.022 0.000 1.259 260 I HN 0.369 nan 8.210 nan 0.000 0.423 261 D N 6.289 126.725 120.400 0.061 0.000 2.232 261 D HA 0.469 5.123 4.640 0.022 0.000 0.242 261 D C -0.143 176.255 176.300 0.164 0.000 1.093 261 D CA -0.192 53.886 54.000 0.131 0.000 0.845 261 D CB 2.641 43.513 40.800 0.121 0.000 1.124 261 D HN 0.463 nan 8.370 nan 0.000 0.467 262 L N 3.319 124.722 121.223 0.300 0.000 2.439 262 L HA 0.179 4.532 4.340 0.022 0.000 0.269 262 L C -1.905 175.027 176.870 0.104 0.000 1.179 262 L CA -1.451 53.546 54.840 0.261 0.000 0.828 262 L CB 0.035 42.328 42.059 0.390 0.000 1.106 262 L HN 0.071 nan 8.230 nan 0.000 0.467 263 P HA -0.079 nan 4.420 nan 0.000 0.269 263 P C 0.289 177.354 177.300 -0.390 0.000 1.211 263 P CA -0.065 62.941 63.100 -0.156 0.000 0.781 263 P CB 0.556 32.211 31.700 -0.074 0.000 0.877 264 E N 2.275 122.244 120.200 -0.384 0.000 2.118 264 E HA -0.227 4.137 4.350 0.022 0.000 0.195 264 E C 1.809 178.258 176.600 -0.253 0.000 0.992 264 E CA 2.059 58.210 56.400 -0.415 0.000 0.804 264 E CB -1.002 28.565 29.700 -0.223 0.000 0.741 264 E HN 0.406 nan 8.360 nan 0.000 0.458 265 A N 0.090 122.812 122.820 -0.164 0.000 1.940 265 A HA -0.143 4.190 4.320 0.022 0.000 0.219 265 A C 2.490 180.010 177.584 -0.107 0.000 1.176 265 A CA 1.683 53.656 52.037 -0.106 0.000 0.631 265 A CB -0.696 18.259 19.000 -0.074 0.000 0.814 265 A HN 0.221 nan 8.150 nan 0.000 0.446 266 V N -0.450 119.393 119.914 -0.118 0.000 2.379 266 V HA -0.254 3.880 4.120 0.022 0.000 0.245 266 V C 2.248 178.185 176.094 -0.262 0.000 1.044 266 V CA 2.023 64.245 62.300 -0.130 0.000 1.036 266 V CB -1.158 30.635 31.823 -0.051 0.000 0.664 266 V HN 0.724 nan 8.190 nan 0.000 0.453 267 H N -0.503 118.243 119.070 -0.540 0.000 2.319 267 H HA -0.167 4.401 4.556 0.021 0.000 0.299 267 H C 2.483 177.617 175.328 -0.324 0.000 1.092 267 H CA 1.366 56.933 56.048 -0.802 0.000 1.302 267 H CB 0.148 29.640 29.762 -0.449 0.000 1.373 267 H HN 0.344 nan 8.280 nan 0.000 0.497 268 E N 0.884 121.056 120.200 -0.046 0.000 2.085 268 E HA -0.135 4.228 4.350 0.022 0.000 0.194 268 E C 2.497 179.077 176.600 -0.033 0.000 0.994 268 E CA 0.929 57.318 56.400 -0.017 0.000 0.801 268 E CB -0.309 29.365 29.700 -0.042 0.000 0.743 268 E HN 0.454 nan 8.360 nan 0.000 0.453 269 A N 0.284 123.061 122.820 -0.072 0.000 1.940 269 A HA -0.196 4.137 4.320 0.022 0.000 0.219 269 A C 2.069 179.615 177.584 -0.064 0.000 1.176 269 A CA 1.555 53.543 52.037 -0.081 0.000 0.631 269 A CB -1.162 17.781 19.000 -0.095 0.000 0.814 269 A HN 0.483 nan 8.150 nan 0.000 0.446 270 W N 0.578 121.718 121.300 -0.267 0.000 2.358 270 W HA -0.186 4.487 4.660 0.021 0.000 0.303 270 W C 2.375 178.828 176.519 -0.110 0.000 1.208 270 W CA 1.982 59.189 57.345 -0.230 0.000 1.274 270 W CB -0.142 29.112 29.460 -0.343 0.000 1.138 270 W HN 0.310 nan 8.180 nan 0.000 0.515 271 R N 0.737 121.273 120.500 0.061 0.000 2.073 271 R HA -0.181 4.173 4.340 0.022 0.000 0.234 271 R C 2.003 178.180 176.300 -0.206 0.000 1.134 271 R CA 2.347 58.395 56.100 -0.088 0.000 0.952 271 R CB -0.784 29.586 30.300 0.117 0.000 0.850 271 R HN 0.386 nan 8.270 nan 0.000 0.433 272 I N -0.974 119.517 120.570 -0.131 0.000 3.564 272 I HA -0.037 4.146 4.170 0.022 0.000 0.294 272 I C 1.981 178.016 176.117 -0.137 0.000 1.289 272 I CA 0.775 62.001 61.300 -0.123 0.000 1.325 272 I CB -0.724 37.212 38.000 -0.106 0.000 1.039 272 I HN 0.175 nan 8.210 nan 0.000 0.474 273 H N 2.917 121.818 119.070 -0.281 0.000 2.319 273 H HA -0.079 4.490 4.556 0.022 0.000 0.297 273 H C -0.697 174.506 175.328 -0.208 0.000 1.097 273 H CA 2.536 58.426 56.048 -0.265 0.000 1.285 273 H CB -1.292 28.256 29.762 -0.357 0.000 1.368 273 H HN 0.221 nan 8.280 nan 0.000 0.495 274 P HA -0.160 nan 4.420 nan 0.000 0.215 274 P C 1.974 179.232 177.300 -0.070 0.000 1.153 274 P CA 1.229 64.305 63.100 -0.041 0.000 0.853 274 P CB -0.048 31.615 31.700 -0.061 0.000 0.788 275 I N -0.965 119.566 120.570 -0.065 0.000 2.127 275 I HA -0.222 3.961 4.170 0.022 0.000 0.241 275 I C 2.402 178.547 176.117 0.047 0.000 1.075 275 I CA 1.660 62.959 61.300 -0.002 0.000 1.334 275 I CB -1.543 36.441 38.000 -0.025 0.000 1.040 275 I HN -0.030 nan 8.210 nan 0.000 0.405 276 I N 0.247 120.792 120.570 -0.043 0.000 2.127 276 I HA -0.349 3.834 4.170 0.022 0.000 0.241 276 I C 2.775 178.848 176.117 -0.072 0.000 1.075 276 I CA 1.490 62.791 61.300 0.002 0.000 1.334 276 I CB -0.496 37.395 38.000 -0.181 0.000 1.040 276 I HN 0.379 nan 8.210 nan 0.000 0.405 277 Q N 0.880 120.532 119.800 -0.245 0.000 2.030 277 Q HA -0.266 4.087 4.340 0.022 0.000 0.204 277 Q C 1.713 177.693 176.000 -0.034 0.000 0.986 277 Q CA 2.202 57.880 55.803 -0.208 0.000 0.843 277 Q CB 0.016 28.567 28.738 -0.311 0.000 0.904 277 Q HN 0.469 nan 8.270 nan 0.000 0.420 278 D N -0.373 120.024 120.400 -0.004 0.000 2.149 278 D HA -0.112 4.542 4.640 0.022 0.000 0.201 278 D C 1.563 177.863 176.300 0.000 0.000 0.972 278 D CA 0.623 54.629 54.000 0.010 0.000 0.835 278 D CB -0.359 40.465 40.800 0.040 0.000 0.966 278 D HN 0.254 nan 8.370 nan 0.000 0.476 279 F N 2.073 121.960 119.950 -0.104 0.000 2.134 279 F HA -0.120 4.420 4.527 0.022 0.000 0.299 279 F C 2.091 177.717 175.800 -0.289 0.000 1.097 279 F CA 1.389 59.283 58.000 -0.176 0.000 1.264 279 F CB 0.076 38.912 39.000 -0.273 0.000 1.001 279 F HN -0.125 nan 8.300 nan 0.000 0.479 280 E N 0.227 120.245 120.200 -0.303 0.000 2.106 280 E HA -0.162 4.202 4.350 0.022 0.000 0.192 280 E C 2.392 178.770 176.600 -0.371 0.000 0.984 280 E CA 0.841 56.903 56.400 -0.563 0.000 0.806 280 E CB -0.435 28.701 29.700 -0.941 0.000 0.750 280 E HN 0.497 nan 8.360 nan 0.000 0.458 281 A N 1.776 124.417 122.820 -0.298 0.000 1.908 281 A HA -0.236 4.097 4.320 0.022 0.000 0.218 281 A C 1.909 179.230 177.584 -0.439 0.000 1.181 281 A CA 1.473 53.279 52.037 -0.384 0.000 0.627 281 A CB -0.768 17.947 19.000 -0.474 0.000 0.818 281 A HN 0.275 nan 8.150 nan 0.000 0.445 282 H N -0.853 117.971 119.070 -0.410 0.000 2.421 282 H HA -0.058 4.511 4.556 0.022 0.000 0.298 282 H C 2.413 177.544 175.328 -0.328 0.000 1.087 282 H CA 1.894 57.670 56.048 -0.452 0.000 1.330 282 H CB 0.046 29.484 29.762 -0.539 0.000 1.388 282 H HN 0.361 nan 8.280 nan 0.000 0.526 283 R N 0.381 120.770 120.500 -0.185 0.000 2.062 283 R HA 0.071 4.425 4.340 0.022 0.000 0.226 283 R C 2.535 178.875 176.300 0.066 0.000 1.125 283 R CA 1.127 57.203 56.100 -0.039 0.000 0.966 283 R CB -0.577 29.782 30.300 0.098 0.000 0.861 283 R HN 0.232 nan 8.270 nan 0.000 0.433 284 A N 0.026 122.915 122.820 0.114 0.000 2.019 284 A HA -0.038 4.295 4.320 0.022 0.000 0.219 284 A C 1.518 179.093 177.584 -0.015 0.000 1.164 284 A CA 1.129 53.242 52.037 0.127 0.000 0.644 284 A CB -0.237 18.860 19.000 0.162 0.000 0.805 284 A HN 0.238 nan 8.150 nan 0.000 0.449 285 L N -1.159 119.988 121.223 -0.127 0.000 2.965 285 L HA 0.252 4.605 4.340 0.022 0.000 0.254 285 L C 2.220 179.074 176.870 -0.026 0.000 1.220 285 L CA 0.186 54.925 54.840 -0.169 0.000 1.023 285 L CB -0.007 41.808 42.059 -0.407 0.000 1.355 285 L HN 0.363 nan 8.230 nan 0.000 0.545 286 A N 0.863 123.704 122.820 0.035 0.000 1.870 286 A HA -0.301 4.032 4.320 0.022 0.000 0.219 286 A C 1.879 179.573 177.584 0.184 0.000 1.224 286 A CA 2.405 54.507 52.037 0.107 0.000 0.650 286 A CB -1.026 18.029 19.000 0.091 0.000 0.836 286 A HN 0.691 nan 8.150 nan 0.000 0.454 287 W N 0.833 122.148 121.300 0.024 0.000 2.302 287 W HA -0.267 4.406 4.660 0.022 0.000 0.320 287 W C 2.022 178.584 176.519 0.072 0.000 1.241 287 W CA 2.579 59.947 57.345 0.037 0.000 1.264 287 W CB -0.414 29.062 29.460 0.026 0.000 1.154 287 W HN 0.463 nan 8.180 nan 0.000 0.483 288 E N -0.593 119.696 120.200 0.150 0.000 2.058 288 E HA -0.252 4.111 4.350 0.022 0.000 0.194 288 E C 1.967 178.513 176.600 -0.090 0.000 0.997 288 E CA 2.011 58.371 56.400 -0.067 0.000 0.801 288 E CB -1.154 28.513 29.700 -0.055 0.000 0.746 288 E HN 0.363 nan 8.360 nan 0.000 0.450 289 F N 0.736 120.601 119.950 -0.142 0.000 2.171 289 F HA -0.169 4.372 4.527 0.023 0.000 0.300 289 F C 2.136 177.915 175.800 -0.035 0.000 1.090 289 F CA 1.317 59.279 58.000 -0.064 0.000 1.293 289 F CB -0.057 38.932 39.000 -0.018 0.000 1.013 289 F HN -0.101 nan 8.300 nan 0.000 0.486 290 S N -0.435 115.245 115.700 -0.033 0.000 2.395 290 S HA -0.071 4.413 4.470 0.022 0.000 0.225 290 S C 1.630 176.041 174.600 -0.314 0.000 1.027 290 S CA 1.105 59.217 58.200 -0.146 0.000 0.965 290 S CB -0.125 63.044 63.200 -0.052 0.000 0.812 290 S HN 0.397 nan 8.310 nan 0.000 0.482 291 E N 0.242 120.136 120.200 -0.510 0.000 2.431 291 E HA 0.122 4.485 4.350 0.022 0.000 0.200 291 E C 0.093 176.085 176.600 -1.013 0.000 0.995 291 E CA 0.509 56.446 56.400 -0.772 0.000 0.915 291 E CB 0.167 29.220 29.700 -1.079 0.000 0.930 291 E HN 0.557 nan 8.360 nan 0.000 0.496 292 H N -0.585 118.230 119.070 -0.426 0.000 2.885 292 H HA 0.086 4.655 4.556 0.022 0.000 0.237 292 H C 1.258 176.476 175.328 -0.182 0.000 1.229 292 H CA -0.222 55.654 56.048 -0.288 0.000 0.947 292 H CB 0.148 29.714 29.762 -0.326 0.000 2.223 292 H HN 0.199 nan 8.280 nan 0.000 0.628 293 H N 2.040 120.954 119.070 -0.259 0.000 2.272 293 H HA -0.170 4.399 4.556 0.022 0.000 0.289 293 H C 0.472 175.711 175.328 -0.148 0.000 1.100 293 H CA 2.290 58.151 56.048 -0.312 0.000 1.209 293 H CB 0.322 29.772 29.762 -0.519 0.000 1.348 293 H HN 0.306 nan 8.280 nan 0.000 0.481 294 D N 0.293 120.718 120.400 0.042 0.000 2.310 294 D HA -0.073 4.580 4.640 0.022 0.000 0.212 294 D C 1.877 178.177 176.300 0.000 0.000 0.965 294 D CA 0.662 54.681 54.000 0.032 0.000 0.879 294 D CB -0.305 40.529 40.800 0.056 0.000 0.921 294 D HN 0.617 nan 8.370 nan 0.000 0.510 295 E N -0.265 119.946 120.200 0.018 0.000 2.481 295 E HA 0.084 4.448 4.350 0.022 0.000 0.195 295 E C 0.341 176.980 176.600 0.065 0.000 1.047 295 E CA -0.083 56.344 56.400 0.045 0.000 0.867 295 E CB 0.414 30.154 29.700 0.066 0.000 0.858 295 E HN 0.295 nan 8.360 nan 0.000 0.513 296 I N 1.692 122.285 120.570 0.039 0.000 2.441 296 I HA 0.087 4.270 4.170 0.022 0.000 0.287 296 I C 0.489 176.641 176.117 0.059 0.000 1.049 296 I CA -0.740 60.621 61.300 0.102 0.000 1.381 296 I CB 0.958 38.974 38.000 0.028 0.000 1.409 296 I HN -0.034 nan 8.210 nan 0.000 0.523 297 A N 8.308 131.188 122.820 0.099 0.000 2.567 297 A HA 0.102 4.435 4.320 0.022 0.000 0.240 297 A C -1.424 176.190 177.584 0.049 0.000 1.053 297 A CA -0.729 51.345 52.037 0.062 0.000 0.755 297 A CB -0.401 18.638 19.000 0.066 0.000 0.978 297 A HN 0.612 nan 8.150 nan 0.000 0.507 298 P HA -0.283 nan 4.420 nan 0.000 0.221 298 P C 1.614 178.939 177.300 0.042 0.000 1.160 298 P CA 2.276 65.394 63.100 0.031 0.000 0.933 298 P CB -0.089 31.629 31.700 0.031 0.000 0.793 299 M N -2.544 117.087 119.600 0.052 0.000 2.159 299 M HA -0.139 4.354 4.480 0.022 0.000 0.263 299 M C 2.063 178.404 176.300 0.069 0.000 1.063 299 M CA 1.400 56.736 55.300 0.060 0.000 1.110 299 M CB -0.747 31.891 32.600 0.064 0.000 1.374 299 M HN -0.032 nan 8.290 nan 0.000 0.411 300 L N 0.373 121.644 121.223 0.081 0.000 2.072 300 L HA -0.120 4.233 4.340 0.022 0.000 0.205 300 L C 2.420 179.313 176.870 0.037 0.000 1.079 300 L CA 1.834 56.723 54.840 0.082 0.000 0.752 300 L CB -0.710 41.425 42.059 0.127 0.000 0.906 300 L HN 0.176 nan 8.230 nan 0.000 0.436 301 R N -0.522 119.995 120.500 0.028 0.000 2.127 301 R HA -0.148 4.206 4.340 0.022 0.000 0.238 301 R C 2.049 178.391 176.300 0.070 0.000 1.134 301 R CA 1.363 57.461 56.100 -0.003 0.000 0.975 301 R CB -0.282 29.956 30.300 -0.105 0.000 0.865 301 R HN 0.526 nan 8.270 nan 0.000 0.447 302 A N 0.200 123.059 122.820 0.065 0.000 1.897 302 A HA -0.119 4.215 4.320 0.022 0.000 0.215 302 A C 2.121 179.755 177.584 0.084 0.000 1.181 302 A CA 1.519 53.606 52.037 0.084 0.000 0.620 302 A CB -0.527 18.513 19.000 0.066 0.000 0.821 302 A HN 0.564 nan 8.150 nan 0.000 0.443 303 S N -0.144 115.593 115.700 0.061 0.000 2.423 303 S HA -0.016 4.468 4.470 0.022 0.000 0.231 303 S C 1.822 176.440 174.600 0.029 0.000 1.014 303 S CA 1.250 59.479 58.200 0.049 0.000 0.965 303 S CB -0.560 62.670 63.200 0.050 0.000 0.785 303 S HN 0.419 nan 8.310 nan 0.000 0.495 304 L N 1.321 122.536 121.223 -0.013 0.000 2.068 304 L HA -0.023 4.330 4.340 0.022 0.000 0.204 304 L C 2.382 179.353 176.870 0.168 0.000 1.076 304 L CA 1.378 56.134 54.840 -0.140 0.000 0.753 304 L CB -0.626 41.221 42.059 -0.354 0.000 0.910 304 L HN 0.185 nan 8.230 nan 0.000 0.439 305 D N 0.423 120.986 120.400 0.271 0.000 2.149 305 D HA -0.180 4.474 4.640 0.022 0.000 0.198 305 D C 2.096 178.505 176.300 0.180 0.000 0.990 305 D CA 1.519 55.716 54.000 0.329 0.000 0.839 305 D CB -0.019 40.972 40.800 0.319 0.000 0.948 305 D HN 0.324 nan 8.370 nan 0.000 0.460 306 A N -0.029 122.871 122.820 0.133 0.000 2.119 306 A HA -0.014 4.319 4.320 0.022 0.000 0.216 306 A C 1.856 179.486 177.584 0.076 0.000 1.152 306 A CA 1.577 53.667 52.037 0.089 0.000 0.708 306 A CB -0.214 18.829 19.000 0.072 0.000 0.805 306 A HN 0.311 nan 8.150 nan 0.000 0.460 307 T N -3.032 111.589 114.554 0.112 0.000 3.132 307 T HA 0.213 4.577 4.350 0.022 0.000 0.274 307 T C 1.247 175.931 174.700 -0.028 0.000 1.011 307 T CA 0.558 62.716 62.100 0.097 0.000 0.899 307 T CB -0.374 68.575 68.868 0.135 0.000 1.089 307 T HN 0.567 nan 8.240 nan 0.000 0.543 308 V N -0.511 119.298 119.914 -0.174 0.000 2.688 308 V HA 0.149 4.282 4.120 0.022 0.000 0.256 308 V C 2.351 178.252 176.094 -0.321 0.000 1.084 308 V CA 1.798 63.739 62.300 -0.599 0.000 1.103 308 V CB -1.402 30.237 31.823 -0.306 0.000 0.688 308 V HN 0.490 nan 8.190 nan 0.000 0.480 309 G N 0.101 108.826 108.800 -0.126 0.000 2.623 309 G HA2 0.144 4.117 3.960 0.022 0.000 0.214 309 G HA3 0.144 4.117 3.960 0.022 0.000 0.214 309 G C 0.678 175.580 174.900 0.004 0.000 1.138 309 G CA -0.293 44.776 45.100 -0.051 0.000 0.794 309 G HN 0.534 nan 8.290 nan 0.000 0.535 310 L N 2.486 123.733 121.223 0.039 0.000 2.640 310 L HA 0.116 4.469 4.340 0.022 0.000 0.280 310 L C 1.184 178.195 176.870 0.235 0.000 1.229 310 L CA -0.025 54.903 54.840 0.146 0.000 0.919 310 L CB 0.131 42.342 42.059 0.253 0.000 1.168 310 L HN 0.163 nan 8.230 nan 0.000 0.496 311 T N 0.081 114.707 114.554 0.120 0.000 2.934 311 T HA 0.348 4.711 4.350 0.022 0.000 0.283 311 T C -1.913 172.724 174.700 -0.105 0.000 1.005 311 T CA -2.060 60.094 62.100 0.091 0.000 1.041 311 T CB 1.857 70.743 68.868 0.030 0.000 1.042 311 T HN 0.279 nan 8.240 nan 0.000 0.505 312 P HA -0.053 nan 4.420 nan 0.000 0.218 312 P C 1.481 178.698 177.300 -0.139 0.000 1.148 312 P CA 0.939 63.898 63.100 -0.237 0.000 0.822 312 P CB 0.122 31.848 31.700 0.042 0.000 0.784 313 K N 0.750 121.106 120.400 -0.074 0.000 2.026 313 K HA -0.199 4.134 4.320 0.022 0.000 0.208 313 K C 2.023 178.569 176.600 -0.089 0.000 1.048 313 K CA 1.789 58.039 56.287 -0.062 0.000 0.929 313 K CB -0.228 32.252 32.500 -0.034 0.000 0.713 313 K HN 0.199 nan 8.250 nan 0.000 0.439 314 E N -0.801 119.346 120.200 -0.088 0.000 2.285 314 E HA -0.210 4.154 4.350 0.022 0.000 0.194 314 E C 1.899 178.426 176.600 -0.121 0.000 0.997 314 E CA 0.603 56.952 56.400 -0.086 0.000 0.845 314 E CB -0.431 29.240 29.700 -0.049 0.000 0.782 314 E HN 0.465 nan 8.360 nan 0.000 0.491 315 Y N 2.498 122.577 120.300 -0.369 0.000 2.220 315 Y HA -0.113 4.450 4.550 0.023 0.000 0.291 315 Y C 1.541 177.255 175.900 -0.309 0.000 1.129 315 Y CA 1.775 59.587 58.100 -0.480 0.000 1.161 315 Y CB -0.014 37.762 38.460 -1.141 0.000 0.997 315 Y HN -0.085 nan 8.280 nan 0.000 0.522 316 D N 0.060 120.241 120.400 -0.365 0.000 2.144 316 D HA -0.153 4.500 4.640 0.022 0.000 0.200 316 D C 1.948 178.083 176.300 -0.274 0.000 0.978 316 D CA 1.479 55.263 54.000 -0.361 0.000 0.833 316 D CB -0.234 40.463 40.800 -0.173 0.000 0.961 316 D HN 0.406 nan 8.370 nan 0.000 0.470 317 E N 1.278 121.360 120.200 -0.195 0.000 2.153 317 E HA -0.087 4.276 4.350 0.022 0.000 0.194 317 E C 1.834 178.336 176.600 -0.164 0.000 0.988 317 E CA 1.248 57.560 56.400 -0.146 0.000 0.811 317 E CB -0.285 29.353 29.700 -0.103 0.000 0.746 317 E HN 0.151 nan 8.360 nan 0.000 0.466 318 A N 0.677 123.375 122.820 -0.203 0.000 1.930 318 A HA -0.124 4.209 4.320 0.022 0.000 0.217 318 A C 2.204 179.648 177.584 -0.232 0.000 1.175 318 A CA 1.447 53.368 52.037 -0.194 0.000 0.627 318 A CB -0.386 18.503 19.000 -0.186 0.000 0.815 318 A HN 0.199 nan 8.150 nan 0.000 0.443 319 R N -0.655 119.647 120.500 -0.331 0.000 2.148 319 R HA -0.042 4.311 4.340 0.022 0.000 0.227 319 R C 2.345 178.525 176.300 -0.199 0.000 1.103 319 R CA 1.181 57.100 56.100 -0.303 0.000 0.983 319 R CB -0.217 29.833 30.300 -0.417 0.000 0.874 319 R HN 0.518 nan 8.270 nan 0.000 0.451 320 R N 0.506 120.901 120.500 -0.175 0.000 2.066 320 R HA -0.036 4.317 4.340 0.022 0.000 0.232 320 R C 2.295 178.531 176.300 -0.107 0.000 1.131 320 R CA 1.246 57.273 56.100 -0.122 0.000 0.955 320 R CB -0.373 29.864 30.300 -0.104 0.000 0.851 320 R HN 0.171 nan 8.270 nan 0.000 0.432 321 I N 0.475 120.979 120.570 -0.111 0.000 2.163 321 I HA -0.228 3.956 4.170 0.022 0.000 0.243 321 I C 2.597 178.656 176.117 -0.097 0.000 1.085 321 I CA 1.616 62.859 61.300 -0.095 0.000 1.347 321 I CB -0.867 37.078 38.000 -0.093 0.000 1.044 321 I HN 0.353 nan 8.210 nan 0.000 0.408 322 G N 0.728 109.457 108.800 -0.119 0.000 2.476 322 G HA2 -0.268 3.705 3.960 0.022 0.000 0.218 322 G HA3 -0.268 3.705 3.960 0.022 0.000 0.218 322 G C 1.804 176.646 174.900 -0.097 0.000 1.164 322 G CA 0.711 45.741 45.100 -0.116 0.000 0.768 322 G HN 0.313 nan 8.290 nan 0.000 0.560 323 R N -0.207 120.234 120.500 -0.098 0.000 2.073 323 R HA 0.011 4.365 4.340 0.022 0.000 0.234 323 R C 2.850 179.114 176.300 -0.060 0.000 1.134 323 R CA 1.211 57.263 56.100 -0.079 0.000 0.952 323 R CB -0.317 29.937 30.300 -0.077 0.000 0.850 323 R HN 0.255 nan 8.270 nan 0.000 0.433 324 R N -0.191 120.273 120.500 -0.060 0.000 2.103 324 R HA -0.130 4.223 4.340 0.022 0.000 0.242 324 R C 2.421 178.698 176.300 -0.039 0.000 1.142 324 R CA 1.507 57.579 56.100 -0.047 0.000 0.960 324 R CB -0.675 29.593 30.300 -0.052 0.000 0.858 324 R HN 0.381 nan 8.270 nan 0.000 0.439 325 G N 1.063 109.834 108.800 -0.049 0.000 2.491 325 G HA2 -0.301 3.672 3.960 0.022 0.000 0.218 325 G HA3 -0.301 3.672 3.960 0.022 0.000 0.218 325 G C 1.411 176.311 174.900 0.000 0.000 1.180 325 G CA 0.762 45.839 45.100 -0.038 0.000 0.774 325 G HN 0.300 nan 8.290 nan 0.000 0.562 326 R N -0.196 120.300 120.500 -0.007 0.000 2.081 326 R HA -0.004 4.349 4.340 0.022 0.000 0.235 326 R C 2.661 178.982 176.300 0.035 0.000 1.131 326 R CA 1.168 57.280 56.100 0.020 0.000 0.960 326 R CB -0.345 29.933 30.300 -0.036 0.000 0.856 326 R HN 0.327 nan 8.270 nan 0.000 0.436 327 R N 1.518 122.022 120.500 0.007 0.000 2.094 327 R HA -0.181 4.172 4.340 0.022 0.000 0.239 327 R C 1.735 178.058 176.300 0.038 0.000 1.137 327 R CA 1.921 58.029 56.100 0.014 0.000 0.943 327 R CB -0.030 30.267 30.300 -0.006 0.000 0.850 327 R HN 0.271 nan 8.270 nan 0.000 0.433 328 E N -0.012 120.206 120.200 0.029 0.000 2.285 328 E HA -0.142 4.222 4.350 0.022 0.000 0.194 328 E C 1.812 178.458 176.600 0.076 0.000 0.997 328 E CA 0.508 56.929 56.400 0.035 0.000 0.845 328 E CB 0.023 29.724 29.700 0.002 0.000 0.782 328 E HN 0.224 nan 8.360 nan 0.000 0.491 329 L N 0.695 121.988 121.223 0.117 0.000 2.056 329 L HA -0.021 4.333 4.340 0.022 0.000 0.207 329 L C 2.150 179.198 176.870 0.298 0.000 1.078 329 L CA 2.120 57.085 54.840 0.209 0.000 0.749 329 L CB -0.955 41.274 42.059 0.284 0.000 0.901 329 L HN 0.063 nan 8.230 nan 0.000 0.433 330 G N -0.890 108.070 108.800 0.267 0.000 2.469 330 G HA2 -0.303 3.670 3.960 0.022 0.000 0.219 330 G HA3 -0.303 3.670 3.960 0.022 0.000 0.219 330 G C 1.391 176.448 174.900 0.262 0.000 1.150 330 G CA 0.953 46.233 45.100 0.301 0.000 0.763 330 G HN 0.570 nan 8.290 nan 0.000 0.561 331 E N -0.038 120.252 120.200 0.151 0.000 2.070 331 E HA -0.157 4.206 4.350 0.022 0.000 0.197 331 E C 2.699 179.348 176.600 0.080 0.000 1.004 331 E CA 1.299 57.757 56.400 0.097 0.000 0.805 331 E CB -0.324 29.408 29.700 0.054 0.000 0.744 331 E HN 0.297 nan 8.360 nan 0.000 0.451 332 V N 0.789 120.727 119.914 0.040 0.000 2.317 332 V HA -0.266 3.867 4.120 0.022 0.000 0.251 332 V C 1.786 177.796 176.094 -0.140 0.000 1.065 332 V CA 1.766 64.013 62.300 -0.088 0.000 1.049 332 V CB -0.613 31.090 31.823 -0.199 0.000 0.651 332 V HN 0.236 nan 8.190 nan 0.000 0.450 333 F N 0.157 120.141 119.950 0.057 0.000 2.802 333 F HA 0.010 4.534 4.527 -0.006 0.000 0.302 333 F C 2.069 177.892 175.800 0.039 0.000 1.211 333 F CA 0.574 58.603 58.000 0.048 0.000 1.431 333 F CB -0.489 38.548 39.000 0.061 0.000 1.114 333 F HN 0.274 nan 8.300 nan 0.000 0.567 334 E N -0.408 119.878 120.200 0.143 0.000 2.230 334 E HA -0.028 4.336 4.350 0.022 0.000 0.192 334 E C 2.433 179.070 176.600 0.062 0.000 0.987 334 E CA 0.732 57.191 56.400 0.097 0.000 0.841 334 E CB -0.091 29.649 29.700 0.067 0.000 0.783 334 E HN 0.489 nan 8.360 nan 0.000 0.481 335 G N 1.186 110.006 108.800 0.034 0.000 2.576 335 G HA2 0.056 4.029 3.960 0.022 0.000 0.210 335 G HA3 0.056 4.029 3.960 0.022 0.000 0.210 335 G C 0.730 175.637 174.900 0.011 0.000 1.143 335 G CA 0.426 45.532 45.100 0.011 0.000 0.819 335 G HN 0.149 nan 8.290 nan 0.000 0.534 336 V N -2.494 117.423 119.914 0.003 0.000 3.019 336 V HA 0.588 4.722 4.120 0.022 0.000 0.317 336 V C 0.059 176.226 176.094 0.122 0.000 1.094 336 V CA -0.718 61.589 62.300 0.011 0.000 1.000 336 V CB 2.096 33.879 31.823 -0.067 0.000 1.060 336 V HN -0.014 nan 8.190 nan 0.000 0.443 337 D N 0.798 121.267 120.400 0.115 0.000 2.327 337 D HA 0.178 4.832 4.640 0.022 0.000 0.205 337 D C 0.634 177.034 176.300 0.167 0.000 0.989 337 D CA 1.657 55.769 54.000 0.186 0.000 0.873 337 D CB 1.117 42.040 40.800 0.204 0.000 0.955 337 D HN 0.794 nan 8.370 nan 0.000 0.515 338 V N -2.525 117.449 119.914 0.100 0.000 3.216 338 V HA 0.536 4.670 4.120 0.022 0.000 0.302 338 V C -1.375 174.725 176.094 0.010 0.000 1.286 338 V CA -1.158 61.210 62.300 0.115 0.000 1.048 338 V CB 2.441 34.212 31.823 -0.088 0.000 1.081 338 V HN -0.166 nan 8.190 nan 0.000 0.442 339 L N 1.967 123.178 121.223 -0.020 0.000 2.342 339 L HA 0.748 5.101 4.340 0.022 0.000 0.271 339 L C -1.144 175.626 176.870 -0.166 0.000 1.008 339 L CA -0.790 53.959 54.840 -0.150 0.000 0.818 339 L CB 1.930 43.847 42.059 -0.235 0.000 1.296 339 L HN 0.674 nan 8.230 nan 0.000 0.427 340 L N 1.730 122.856 121.223 -0.162 0.000 2.356 340 L HA 0.767 5.121 4.340 0.022 0.000 0.277 340 L C -0.395 176.348 176.870 -0.212 0.000 0.996 340 L CA 0.427 55.169 54.840 -0.164 0.000 0.822 340 L CB 1.915 43.904 42.059 -0.116 0.000 1.256 340 L HN 0.668 nan 8.230 nan 0.000 0.413 341 T N 2.324 116.737 114.554 -0.234 0.000 2.645 341 T HA 0.513 4.876 4.350 0.022 0.000 0.300 341 T C -1.115 173.421 174.700 -0.273 0.000 1.210 341 T CA -0.407 61.508 62.100 -0.308 0.000 1.034 341 T CB 0.401 69.197 68.868 -0.120 0.000 1.537 341 T HN 0.305 nan 8.240 nan 0.000 0.492 342 Y N 0.845 121.092 120.300 -0.088 0.000 2.379 342 Y HA 0.314 4.880 4.550 0.027 0.000 0.337 342 Y C 1.863 177.738 175.900 -0.043 0.000 1.238 342 Y CA -0.147 57.864 58.100 -0.148 0.000 1.405 342 Y CB 0.718 38.929 38.460 -0.415 0.000 1.310 342 Y HN 0.483 nan 8.280 nan 0.000 0.569 343 S N 0.544 116.318 115.700 0.123 0.000 2.502 343 S HA 0.472 4.955 4.470 0.022 0.000 0.215 343 S C 0.220 174.871 174.600 0.084 0.000 1.009 343 S CA 0.313 58.565 58.200 0.086 0.000 0.908 343 S CB 0.250 63.467 63.200 0.028 0.000 0.801 343 S HN 0.728 nan 8.310 nan 0.000 0.505 344 A N 0.868 123.742 122.820 0.089 0.000 2.586 344 A HA 0.652 4.985 4.320 0.022 0.000 0.290 344 A C -2.689 174.940 177.584 0.075 0.000 1.086 344 A CA -1.059 51.046 52.037 0.114 0.000 0.665 344 A CB 0.052 19.095 19.000 0.071 0.000 1.279 344 A HN -0.076 nan 8.150 nan 0.000 0.423 345 P HA 0.163 nan 4.420 nan 0.000 0.220 345 P C 0.845 178.125 177.300 -0.032 0.000 1.148 345 P CA 1.965 65.146 63.100 0.135 0.000 0.803 345 P CB 0.275 32.138 31.700 0.272 0.000 0.782 346 G N -2.358 106.483 108.800 0.068 0.000 2.392 346 G HA2 0.281 4.254 3.960 0.022 0.000 0.260 346 G HA3 0.281 4.254 3.960 0.022 0.000 0.260 346 G C -1.008 173.933 174.900 0.069 0.000 1.226 346 G CA -0.054 45.054 45.100 0.013 0.000 0.913 346 G HN 0.042 nan 8.290 nan 0.000 0.483 347 T N -0.619 113.914 114.554 -0.034 0.000 2.856 347 T HA 0.576 4.939 4.350 0.022 0.000 0.306 347 T C 0.887 175.397 174.700 -0.317 0.000 1.062 347 T CA 0.717 62.744 62.100 -0.122 0.000 1.083 347 T CB 1.053 69.819 68.868 -0.170 0.000 0.984 347 T HN 1.991 nan 8.240 nan 0.000 0.542 348 A N 3.497 125.969 122.820 -0.580 0.000 2.546 348 A HA 0.420 4.753 4.320 0.022 0.000 0.243 348 A C -2.125 175.219 177.584 -0.399 0.000 1.063 348 A CA -1.036 50.412 52.037 -0.982 0.000 0.757 348 A CB -0.957 17.625 19.000 -0.697 0.000 0.991 348 A HN 0.724 nan 8.150 nan 0.000 0.503 349 P HA 0.318 nan 4.420 nan 0.000 0.271 349 P C -0.094 177.299 177.300 0.155 0.000 1.218 349 P CA 0.086 63.187 63.100 0.001 0.000 0.780 349 P CB 0.800 32.491 31.700 -0.016 0.000 0.901 350 A N 3.135 126.037 122.820 0.137 0.000 2.498 350 A HA 0.032 4.365 4.320 0.022 0.000 0.239 350 A C 1.479 179.000 177.584 -0.107 0.000 1.068 350 A CA 0.079 51.985 52.037 -0.219 0.000 0.766 350 A CB 0.029 18.824 19.000 -0.343 0.000 1.003 350 A HN 0.450 nan 8.150 nan 0.000 0.497 351 K N 2.005 122.333 120.400 -0.120 0.000 2.160 351 K HA -0.218 4.115 4.320 0.022 0.000 0.206 351 K C 2.119 178.694 176.600 -0.042 0.000 1.047 351 K CA 1.646 57.904 56.287 -0.049 0.000 0.930 351 K CB -0.727 31.749 32.500 -0.039 0.000 0.720 351 K HN 0.840 nan 8.250 nan 0.000 0.450 352 A N 1.127 123.905 122.820 -0.069 0.000 2.076 352 A HA -0.127 4.206 4.320 0.022 0.000 0.220 352 A C 2.137 179.706 177.584 -0.024 0.000 1.160 352 A CA 1.138 53.147 52.037 -0.046 0.000 0.653 352 A CB -0.516 18.448 19.000 -0.059 0.000 0.801 352 A HN 0.226 nan 8.150 nan 0.000 0.455 353 L N -1.828 119.383 121.223 -0.020 0.000 2.478 353 L HA 0.103 4.457 4.340 0.022 0.000 0.223 353 L C 1.746 178.623 176.870 0.012 0.000 1.140 353 L CA 0.408 55.248 54.840 0.000 0.000 0.842 353 L CB -0.392 41.672 42.059 0.008 0.000 0.953 353 L HN 0.537 nan 8.230 nan 0.000 0.452 354 A N 0.258 123.084 122.820 0.010 0.000 2.783 354 A HA -0.232 4.102 4.320 0.022 0.000 0.292 354 A C 0.634 178.239 177.584 0.035 0.000 1.495 354 A CA 0.978 53.027 52.037 0.021 0.000 0.787 354 A CB -1.868 17.143 19.000 0.018 0.000 1.017 354 A HN 0.372 nan 8.150 nan 0.000 0.516 355 S N -0.918 114.807 115.700 0.042 0.000 2.502 355 S HA 0.611 5.094 4.470 0.022 0.000 0.304 355 S C 1.129 175.781 174.600 0.086 0.000 1.097 355 S CA 0.510 58.747 58.200 0.061 0.000 1.045 355 S CB 1.352 64.588 63.200 0.060 0.000 1.019 355 S HN 1.364 nan 8.310 nan 0.000 0.481 356 T N 1.100 115.718 114.554 0.106 0.000 3.194 356 T HA 0.469 4.832 4.350 0.022 0.000 0.251 356 T C 0.989 175.833 174.700 0.240 0.000 1.132 356 T CA 0.296 62.486 62.100 0.150 0.000 1.028 356 T CB -0.839 68.100 68.868 0.119 0.000 0.976 356 T HN 1.645 nan 8.240 nan 0.000 0.535 357 G N 1.139 110.070 108.800 0.219 0.000 3.039 357 G HA2 -0.043 3.930 3.960 0.022 0.000 0.686 357 G HA3 -0.043 3.930 3.960 0.022 0.000 0.686 357 G C -0.966 174.048 174.900 0.189 0.000 1.066 357 G CA -0.631 44.649 45.100 0.300 0.000 0.774 357 G HN 0.464 nan 8.290 nan 0.000 0.591 358 D N 2.494 122.994 120.400 0.167 0.000 2.383 358 D HA 0.418 5.071 4.640 0.022 0.000 0.252 358 D C -0.872 175.481 176.300 0.088 0.000 1.166 358 D CA -1.808 52.253 54.000 0.103 0.000 0.879 358 D CB 1.326 42.180 40.800 0.090 0.000 1.164 358 D HN 0.100 nan 8.370 nan 0.000 0.462 359 P HA 0.063 nan 4.420 nan 0.000 0.253 359 P C 0.921 178.217 177.300 -0.006 0.000 1.260 359 P CA 0.093 63.197 63.100 0.006 0.000 0.800 359 P CB 0.015 31.683 31.700 -0.053 0.000 1.162 360 R N -0.625 119.862 120.500 -0.022 0.000 2.185 360 R HA -0.187 4.166 4.340 0.022 0.000 0.247 360 R C 0.836 177.136 176.300 -0.001 0.000 1.159 360 R CA 1.666 57.769 56.100 0.005 0.000 0.988 360 R CB -1.529 28.727 30.300 -0.072 0.000 0.871 360 R HN 0.234 nan 8.270 nan 0.000 0.458 361 Y N 0.320 120.746 120.300 0.210 0.000 2.466 361 Y HA 0.231 4.794 4.550 0.021 0.000 0.272 361 Y C 1.428 177.520 175.900 0.319 0.000 1.169 361 Y CA -0.115 58.130 58.100 0.241 0.000 1.285 361 Y CB 0.322 38.909 38.460 0.212 0.000 1.078 361 Y HN 0.187 nan 8.280 nan 0.000 0.523 362 N N -0.089 118.795 118.700 0.305 0.000 2.564 362 N HA -0.010 4.743 4.740 0.022 0.000 0.202 362 N C 1.914 177.505 175.510 0.135 0.000 1.052 362 N CA 0.386 53.613 53.050 0.295 0.000 0.872 362 N CB -0.189 38.395 38.487 0.162 0.000 1.303 362 N HN 0.359 nan 8.380 nan 0.000 0.440 363 R N 1.702 122.143 120.500 -0.098 0.000 2.113 363 R HA -0.142 4.211 4.340 0.022 0.000 0.244 363 R C 2.152 178.277 176.300 -0.292 0.000 1.142 363 R CA 1.489 57.326 56.100 -0.438 0.000 0.953 363 R CB -1.015 28.651 30.300 -1.057 0.000 0.860 363 R HN 0.126 nan 8.270 nan 0.000 0.438 364 L N 0.734 121.812 121.223 -0.242 0.000 1.990 364 L HA -0.147 4.206 4.340 0.022 0.000 0.213 364 L C 2.108 178.829 176.870 -0.247 0.000 1.072 364 L CA 1.810 56.474 54.840 -0.293 0.000 0.755 364 L CB -0.769 40.998 42.059 -0.488 0.000 0.889 364 L HN 0.359 nan 8.230 nan 0.000 0.432 365 W N -0.396 121.003 121.300 0.166 0.000 2.350 365 W HA -0.162 4.514 4.660 0.027 0.000 0.289 365 W C 2.398 178.987 176.519 0.117 0.000 1.215 365 W CA 1.089 58.523 57.345 0.148 0.000 1.236 365 W CB -1.148 28.400 29.460 0.147 0.000 1.130 365 W HN 0.115 nan 8.180 nan 0.000 0.541 366 T N 1.096 115.800 114.554 0.250 0.000 2.821 366 T HA -0.192 4.171 4.350 0.022 0.000 0.267 366 T C 1.736 176.482 174.700 0.077 0.000 1.046 366 T CA 1.312 63.520 62.100 0.181 0.000 1.139 366 T CB -0.524 68.438 68.868 0.156 0.000 0.871 366 T HN 0.008 nan 8.240 nan 0.000 0.454 367 L N 0.645 121.906 121.223 0.063 0.000 2.109 367 L HA 0.107 4.460 4.340 0.022 0.000 0.207 367 L C 2.122 178.955 176.870 -0.061 0.000 1.086 367 L CA 1.575 56.385 54.840 -0.051 0.000 0.760 367 L CB -0.642 41.410 42.059 -0.010 0.000 0.910 367 L HN 0.107 nan 8.230 nan 0.000 0.437 368 M N -0.683 118.949 119.600 0.054 0.000 2.175 368 M HA 0.075 4.568 4.480 0.022 0.000 0.264 368 M C 1.937 178.333 176.300 0.160 0.000 1.063 368 M CA 1.352 56.722 55.300 0.117 0.000 1.119 368 M CB -1.571 31.192 32.600 0.272 0.000 1.377 368 M HN 0.523 nan 8.290 nan 0.000 0.415 369 G N -0.004 108.937 108.800 0.234 0.000 2.234 369 G HA2 -0.240 3.733 3.960 0.022 0.000 0.235 369 G HA3 -0.240 3.733 3.960 0.022 0.000 0.235 369 G C 0.172 175.372 174.900 0.500 0.000 0.997 369 G CA 0.277 45.609 45.100 0.387 0.000 0.623 369 G HN 0.483 nan 8.290 nan 0.000 0.514 370 N N 2.784 121.747 118.700 0.438 0.000 2.329 370 N HA 0.396 5.149 4.740 0.022 0.000 0.237 370 N C -2.082 173.510 175.510 0.136 0.000 1.258 370 N CA 0.100 53.309 53.050 0.266 0.000 0.866 370 N CB 0.509 39.135 38.487 0.232 0.000 1.102 370 N HN 0.300 nan 8.380 nan 0.000 0.440 371 P HA 0.149 nan 4.420 nan 0.000 0.276 371 P C -0.776 176.515 177.300 -0.015 0.000 1.235 371 P CA -0.200 62.897 63.100 -0.006 0.000 0.772 371 P CB 0.503 32.178 31.700 -0.042 0.000 0.871 372 C N 3.311 122.604 119.300 -0.013 0.000 2.455 372 C HA 0.618 5.091 4.460 0.022 0.000 0.320 372 C C 0.029 174.980 174.990 -0.064 0.000 1.226 372 C CA -0.422 58.565 59.018 -0.053 0.000 1.569 372 C CB 1.641 29.367 27.740 -0.023 0.000 2.200 372 C HN 0.355 nan 8.230 nan 0.000 0.491 373 V N 3.664 123.532 119.914 -0.076 0.000 2.577 373 V HA 0.427 4.561 4.120 0.022 0.000 0.303 373 V C -0.304 175.748 176.094 -0.069 0.000 1.042 373 V CA -0.519 61.737 62.300 -0.073 0.000 0.872 373 V CB 1.710 33.505 31.823 -0.046 0.000 0.998 373 V HN 0.892 nan 8.190 nan 0.000 0.423 374 N N 3.399 122.054 118.700 -0.076 0.000 2.472 374 N HA 0.397 5.151 4.740 0.022 0.000 0.277 374 N C -1.261 174.227 175.510 -0.038 0.000 1.081 374 N CA -0.149 52.869 53.050 -0.053 0.000 0.973 374 N CB 1.884 40.342 38.487 -0.048 0.000 1.105 374 N HN 0.427 nan 8.380 nan 0.000 0.470 375 V N 5.629 125.528 119.914 -0.025 0.000 2.326 375 V HA 0.323 4.457 4.120 0.022 0.000 0.281 375 V C -2.176 173.911 176.094 -0.013 0.000 1.015 375 V CA -1.790 60.499 62.300 -0.018 0.000 0.823 375 V CB 1.406 33.224 31.823 -0.010 0.000 1.009 375 V HN 0.665 nan 8.190 nan 0.000 0.436 376 P HA 0.078 nan 4.420 nan 0.000 0.263 376 P C 0.464 177.753 177.300 -0.019 0.000 1.195 376 P CA 0.524 63.618 63.100 -0.010 0.000 0.762 376 P CB 1.081 32.778 31.700 -0.006 0.000 0.799 377 V N 3.601 123.503 119.914 -0.021 0.000 2.854 377 V HA 0.190 4.324 4.120 0.022 0.000 0.236 377 V C 0.696 176.771 176.094 -0.031 0.000 1.157 377 V CA 1.106 63.391 62.300 -0.025 0.000 1.187 377 V CB -0.415 31.397 31.823 -0.019 0.000 0.949 377 V HN 0.460 nan 8.190 nan 0.000 0.488 378 L N -2.405 118.796 121.223 -0.036 0.000 2.947 378 L HA 0.688 5.041 4.340 0.022 0.000 0.272 378 L C -1.347 175.484 176.870 -0.066 0.000 1.071 378 L CA -1.036 53.776 54.840 -0.046 0.000 0.987 378 L CB 1.571 43.608 42.059 -0.036 0.000 1.577 378 L HN -0.112 nan 8.230 nan 0.000 0.373 379 K N -0.000 120.357 120.400 -0.072 0.000 2.422 379 K HA 0.851 5.184 4.320 0.022 0.000 0.251 379 K C -1.730 174.826 176.600 -0.073 0.000 0.933 379 K CA -0.884 55.346 56.287 -0.095 0.000 0.798 379 K CB 2.903 35.329 32.500 -0.122 0.000 1.238 379 K HN 0.439 nan 8.250 nan 0.000 0.428 380 V N 1.305 121.171 119.914 -0.080 0.000 2.483 380 V HA 0.449 4.583 4.120 0.022 0.000 0.297 380 V C 0.818 176.867 176.094 -0.076 0.000 1.027 380 V CA -0.365 61.896 62.300 -0.065 0.000 0.855 380 V CB 1.175 32.963 31.823 -0.059 0.000 0.995 380 V HN 1.061 nan 8.190 nan 0.000 0.424 381 G N 3.399 112.166 108.800 -0.055 0.000 2.203 381 G HA2 0.026 3.999 3.960 0.022 0.000 0.263 381 G HA3 0.026 3.999 3.960 0.022 0.000 0.263 381 G C 1.221 176.086 174.900 -0.058 0.000 1.012 381 G CA 0.957 46.028 45.100 -0.048 0.000 0.749 381 G HN 2.316 nan 8.290 nan 0.000 0.512 382 G N -2.291 106.470 108.800 -0.065 0.000 2.241 382 G HA2 -0.172 3.801 3.960 0.022 0.000 0.244 382 G HA3 -0.172 3.801 3.960 0.022 0.000 0.244 382 G C 0.320 175.151 174.900 -0.116 0.000 0.998 382 G CA 0.464 45.526 45.100 -0.063 0.000 0.621 382 G HN 1.212 nan 8.290 nan 0.000 0.519 383 L N 1.644 122.772 121.223 -0.159 0.000 2.292 383 L HA 0.460 4.814 4.340 0.022 0.000 0.284 383 L C -1.926 174.828 176.870 -0.193 0.000 1.065 383 L CA -1.775 52.941 54.840 -0.206 0.000 0.806 383 L CB 0.710 42.593 42.059 -0.293 0.000 1.175 383 L HN -0.088 nan 8.230 nan 0.000 0.431 384 P HA 0.227 nan 4.420 nan 0.000 0.269 384 P C -0.638 176.633 177.300 -0.049 0.000 1.215 384 P CA -0.002 62.996 63.100 -0.170 0.000 0.780 384 P CB 0.825 32.396 31.700 -0.215 0.000 0.898 385 I N 1.222 121.774 120.570 -0.031 0.000 2.607 385 I HA 0.488 4.671 4.170 0.022 0.000 0.290 385 I C 0.452 176.575 176.117 0.010 0.000 1.129 385 I CA -0.121 61.185 61.300 0.010 0.000 1.042 385 I CB 1.641 39.638 38.000 -0.005 0.000 1.242 385 I HN 0.449 nan 8.210 nan 0.000 0.421 386 G N 4.714 113.532 108.800 0.029 0.000 2.816 386 G HA2 0.817 4.790 3.960 0.022 0.000 0.288 386 G HA3 0.817 4.790 3.960 0.022 0.000 0.288 386 G C -0.974 173.937 174.900 0.018 0.000 1.334 386 G CA -0.542 44.567 45.100 0.015 0.000 0.978 386 G HN 0.489 nan 8.290 nan 0.000 0.493 387 V N -2.639 117.273 119.914 -0.003 0.000 3.001 387 V HA 0.785 4.918 4.120 0.022 0.000 0.314 387 V C -0.629 175.442 176.094 -0.038 0.000 1.099 387 V CA -1.067 61.221 62.300 -0.021 0.000 0.989 387 V CB 1.638 33.434 31.823 -0.044 0.000 1.040 387 V HN 0.845 nan 8.190 nan 0.000 0.434 388 Q N 1.328 121.088 119.800 -0.066 0.000 2.307 388 Q HA 0.681 5.034 4.340 0.022 0.000 0.262 388 Q C -1.632 174.282 176.000 -0.143 0.000 0.961 388 Q CA -0.617 55.129 55.803 -0.096 0.000 0.882 388 Q CB 2.069 30.750 28.738 -0.095 0.000 1.264 388 Q HN 0.801 nan 8.270 nan 0.000 0.446 389 V N 6.470 126.312 119.914 -0.119 0.000 2.370 389 V HA 0.433 4.566 4.120 0.022 0.000 0.279 389 V C -0.217 175.790 176.094 -0.146 0.000 1.029 389 V CA -0.378 61.852 62.300 -0.116 0.000 0.870 389 V CB 1.131 32.918 31.823 -0.059 0.000 0.984 389 V HN 0.709 nan 8.190 nan 0.000 0.451 390 I N 4.283 124.751 120.570 -0.170 0.000 2.465 390 I HA 0.799 4.982 4.170 0.022 0.000 0.291 390 I C 0.216 176.344 176.117 0.017 0.000 1.014 390 I CA -0.430 60.780 61.300 -0.150 0.000 1.093 390 I CB 1.955 39.730 38.000 -0.375 0.000 1.267 390 I HN 0.660 nan 8.210 nan 0.000 0.431 391 A N 5.798 128.581 122.820 -0.060 0.000 2.344 391 A HA 0.687 5.020 4.320 0.022 0.000 0.307 391 A C -0.206 177.005 177.584 -0.622 0.000 1.151 391 A CA -0.776 51.148 52.037 -0.189 0.000 0.842 391 A CB 1.218 20.129 19.000 -0.149 0.000 1.350 391 A HN 0.775 nan 8.150 nan 0.000 0.459 392 R N -0.195 119.704 120.500 -1.002 0.000 2.698 392 R HA 0.075 4.428 4.340 0.022 0.000 0.266 392 R C -0.617 175.483 176.300 -0.334 0.000 1.026 392 R CA -0.110 55.407 56.100 -0.972 0.000 1.102 392 R CB 0.028 29.982 30.300 -0.576 0.000 0.978 392 R HN 0.611 nan 8.270 nan 0.000 0.436 393 F N 3.247 123.046 119.950 -0.251 0.000 2.623 393 F HA 0.100 4.638 4.527 0.019 0.000 0.383 393 F C 1.291 177.059 175.800 -0.053 0.000 1.077 393 F CA 2.031 59.986 58.000 -0.076 0.000 1.268 393 F CB 0.465 39.464 39.000 -0.002 0.000 1.053 393 F HN 0.846 nan 8.300 nan 0.000 0.571 394 G N 3.909 112.251 108.800 -0.763 0.000 2.176 394 G HA2 -0.324 3.649 3.960 0.022 0.000 0.253 394 G HA3 -0.324 3.649 3.960 0.022 0.000 0.253 394 G C 0.433 175.190 174.900 -0.237 0.000 0.979 394 G CA 0.155 44.972 45.100 -0.472 0.000 0.641 394 G HN 0.688 nan 8.290 nan 0.000 0.530 395 N N 0.901 119.485 118.700 -0.195 0.000 2.761 395 N HA 0.261 5.015 4.740 0.022 0.000 0.317 395 N C 0.622 176.099 175.510 -0.055 0.000 1.546 395 N CA 0.290 53.276 53.050 -0.108 0.000 1.015 395 N CB 0.394 38.837 38.487 -0.072 0.000 1.343 395 N HN 0.309 nan 8.380 nan 0.000 0.504 396 D N 0.799 121.173 120.400 -0.042 0.000 2.117 396 D HA -0.126 4.527 4.640 0.022 0.000 0.197 396 D C 1.964 178.357 176.300 0.154 0.000 0.987 396 D CA 1.083 55.133 54.000 0.083 0.000 0.829 396 D CB 0.116 41.066 40.800 0.250 0.000 0.961 396 D HN 0.355 nan 8.370 nan 0.000 0.460 397 A N 0.036 122.901 122.820 0.076 0.000 1.917 397 A HA -0.294 4.039 4.320 0.022 0.000 0.219 397 A C 2.046 179.725 177.584 0.159 0.000 1.182 397 A CA 1.948 54.038 52.037 0.088 0.000 0.633 397 A CB -0.998 17.930 19.000 -0.118 0.000 0.819 397 A HN 0.484 nan 8.150 nan 0.000 0.448 398 H N -1.112 117.954 119.070 -0.006 0.000 2.395 398 H HA 0.085 4.634 4.556 -0.011 0.000 0.299 398 H C 2.365 177.712 175.328 0.031 0.000 1.070 398 H CA 0.723 56.772 56.048 0.002 0.000 1.356 398 H CB 0.041 29.784 29.762 -0.031 0.000 1.401 398 H HN 0.490 nan 8.280 nan 0.000 0.524 399 A N 0.973 123.823 122.820 0.049 0.000 1.908 399 A HA -0.159 4.174 4.320 0.022 0.000 0.218 399 A C 2.411 180.024 177.584 0.048 0.000 1.181 399 A CA 1.295 53.319 52.037 -0.022 0.000 0.627 399 A CB -0.755 18.233 19.000 -0.020 0.000 0.818 399 A HN 0.421 nan 8.150 nan 0.000 0.445 400 L N -1.093 120.202 121.223 0.120 0.000 2.109 400 L HA -0.113 4.241 4.340 0.022 0.000 0.207 400 L C 3.056 180.087 176.870 0.268 0.000 1.086 400 L CA 0.829 55.768 54.840 0.165 0.000 0.760 400 L CB -0.444 41.726 42.059 0.185 0.000 0.910 400 L HN 0.430 nan 8.230 nan 0.000 0.437 401 A N -0.368 122.616 122.820 0.273 0.000 1.898 401 A HA -0.183 4.151 4.320 0.022 0.000 0.216 401 A C 2.364 180.113 177.584 0.275 0.000 1.181 401 A CA 2.294 54.510 52.037 0.298 0.000 0.620 401 A CB -0.859 18.293 19.000 0.252 0.000 0.819 401 A HN 0.358 nan 8.150 nan 0.000 0.442 402 T N 0.264 114.921 114.554 0.172 0.000 2.777 402 T HA 0.045 4.408 4.350 0.022 0.000 0.266 402 T C 2.232 177.084 174.700 0.254 0.000 1.040 402 T CA 1.382 63.564 62.100 0.136 0.000 1.141 402 T CB -0.434 68.378 68.868 -0.094 0.000 0.868 402 T HN 0.580 nan 8.240 nan 0.000 0.444 403 A N 1.242 124.171 122.820 0.181 0.000 1.908 403 A HA -0.142 4.191 4.320 0.022 0.000 0.218 403 A C 2.106 179.832 177.584 0.237 0.000 1.181 403 A CA 1.407 53.536 52.037 0.154 0.000 0.627 403 A CB -1.008 18.042 19.000 0.083 0.000 0.818 403 A HN 0.639 nan 8.150 nan 0.000 0.445 404 W N 0.164 121.512 121.300 0.079 0.000 2.354 404 W HA -0.212 4.463 4.660 0.024 0.000 0.315 404 W C 2.010 178.577 176.519 0.080 0.000 1.206 404 W CA 1.416 58.802 57.345 0.067 0.000 1.290 404 W CB -1.228 28.280 29.460 0.080 0.000 1.152 404 W HN 0.460 nan 8.180 nan 0.000 0.489 405 F N 0.903 120.985 119.950 0.221 0.000 2.120 405 F HA -0.268 4.291 4.527 0.054 0.000 0.300 405 F C 2.343 178.197 175.800 0.089 0.000 1.095 405 F CA 2.381 60.428 58.000 0.078 0.000 1.249 405 F CB -0.999 38.018 39.000 0.028 0.000 0.995 405 F HN -0.138 nan 8.300 nan 0.000 0.480 406 L N 0.263 121.498 121.223 0.019 0.000 2.046 406 L HA -0.207 4.147 4.340 0.022 0.000 0.208 406 L C 2.404 179.196 176.870 -0.130 0.000 1.077 406 L CA 1.828 56.586 54.840 -0.137 0.000 0.747 406 L CB -0.527 41.573 42.059 0.067 0.000 0.896 406 L HN 0.288 nan 8.230 nan 0.000 0.432 407 E N -0.223 119.977 120.200 -0.000 0.000 2.058 407 E HA -0.252 4.111 4.350 0.022 0.000 0.194 407 E C 1.685 178.274 176.600 -0.019 0.000 0.997 407 E CA 1.541 57.946 56.400 0.008 0.000 0.801 407 E CB -0.114 29.618 29.700 0.054 0.000 0.746 407 E HN 0.540 nan 8.360 nan 0.000 0.450 408 D N 0.494 120.895 120.400 0.001 0.000 2.178 408 D HA -0.102 4.551 4.640 0.022 0.000 0.202 408 D C 1.852 178.060 176.300 -0.153 0.000 0.974 408 D CA 1.144 55.122 54.000 -0.036 0.000 0.841 408 D CB -0.243 40.554 40.800 -0.005 0.000 0.953 408 D HN 0.161 nan 8.370 nan 0.000 0.478 409 A N 0.664 123.291 122.820 -0.321 0.000 1.902 409 A HA -0.104 4.229 4.320 0.022 0.000 0.217 409 A C 2.340 179.815 177.584 -0.182 0.000 1.181 409 A CA 0.859 52.686 52.037 -0.351 0.000 0.623 409 A CB -0.756 17.874 19.000 -0.617 0.000 0.818 409 A HN 0.202 nan 8.150 nan 0.000 0.443 410 L N -0.832 120.305 121.223 -0.143 0.000 2.141 410 L HA -0.110 4.243 4.340 0.022 0.000 0.209 410 L C 2.717 179.552 176.870 -0.059 0.000 1.094 410 L CA 0.814 55.604 54.840 -0.084 0.000 0.763 410 L CB -0.324 41.697 42.059 -0.065 0.000 0.908 410 L HN 0.411 nan 8.230 nan 0.000 0.437 411 A N -1.178 121.609 122.820 -0.055 0.000 2.235 411 A HA -0.041 4.293 4.320 0.022 0.000 0.208 411 A C 0.464 178.027 177.584 -0.034 0.000 1.172 411 A CA 0.147 52.164 52.037 -0.033 0.000 0.786 411 A CB -0.112 18.878 19.000 -0.017 0.000 0.804 411 A HN 0.283 nan 8.150 nan 0.000 0.479 412 K N -1.686 118.685 120.400 -0.049 0.000 3.795 412 K HA -0.121 4.213 4.320 0.022 0.000 0.287 412 K C -0.029 176.548 176.600 -0.039 0.000 1.083 412 K CA 1.105 57.366 56.287 -0.043 0.000 0.875 412 K CB -2.396 30.087 32.500 -0.028 0.000 1.413 412 K HN 1.440 nan 8.250 nan 0.000 0.447 413 S N 0.000 115.667 115.700 -0.055 0.000 2.498 413 S HA 0.000 4.483 4.470 0.022 0.000 0.327 413 S CA 0.000 nan 58.200 nan 0.000 1.107 413 S CB 0.000 nan 63.200 nan 0.000 0.593 413 S HN 0.000 nan 8.310 nan 0.000 0.517