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 2htk_1_A DATA FIRST_RESID 17 DATA SEQUENCE RRRQLIRQLL ERDKTPLAIL FMAAVVGTLV GLAAVAFDKG VAWLQNQRMG DATA SEQUENCE ALVHTADNYP LLLTVAFLCS AVLAMFGYFL VRKYAPEAGG SGIPEIEGAL DATA SEQUENCE EDQRPVRWWR VLPVKFFGGL GTLGGGMVLG REGPTVQIGG NIGRMVLDIF DATA SEQUENCE RLKGDEARHT LLATGAAAGL AAAFNAPLAG ILFIIEEMRP QFRYTLISIK DATA SEQUENCE AVFIGVIMST IMYRIFNHEV ALIDVGKLSD APLNTLWLYL ILGIIFGIFG DATA SEQUENCE PIFNKWVLGM QDLLHRVHGG NITKWVLMGG AIGGLCGLLG FVAPATSGGG DATA SEQUENCE FNLIPIATAG NFSMGMLVFI FVARVITTLL CFSSGAPGGI FAPMLALGTV DATA SEQUENCE LGTAFGMVAV ELFPQYHLEA GTFAIAGMGA LLAASIRAPL TGIILVLEMT DATA SEQUENCE DNYQLILPMI ITGLGATLLA QFTGGKPLAS AILARTLAKQ EAEQ 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 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.290 176.300 -0.016 0.000 0.893 17 R CA 0.000 56.091 56.100 -0.015 0.000 0.921 17 R CB 0.000 30.290 30.300 -0.016 0.000 0.687 18 R N 1.688 122.180 120.500 -0.013 0.000 2.075 18 R HA 0.064 4.400 4.340 -0.006 0.000 0.232 18 R C 1.913 178.206 176.300 -0.012 0.000 1.126 18 R CA 1.856 57.949 56.100 -0.013 0.000 0.963 18 R CB -0.028 30.267 30.300 -0.010 0.000 0.858 18 R HN 0.246 nan 8.270 nan 0.000 0.435 19 R N 0.230 120.724 120.500 -0.011 0.000 2.115 19 R HA -0.110 4.226 4.340 -0.006 0.000 0.226 19 R C 2.366 178.659 176.300 -0.011 0.000 1.100 19 R CA 1.531 57.625 56.100 -0.010 0.000 0.980 19 R CB -0.035 30.260 30.300 -0.008 0.000 0.875 19 R HN 0.324 nan 8.270 nan 0.000 0.445 20 Q N -0.017 119.774 119.800 -0.014 0.000 2.123 20 Q HA -0.155 4.182 4.340 -0.006 0.000 0.199 20 Q C 1.920 177.907 176.000 -0.021 0.000 0.966 20 Q CA 1.142 56.935 55.803 -0.017 0.000 0.845 20 Q CB 0.007 28.732 28.738 -0.020 0.000 0.907 20 Q HN 0.283 nan 8.270 nan 0.000 0.439 21 L N 0.802 122.011 121.223 -0.024 0.000 2.042 21 L HA -0.168 4.168 4.340 -0.006 0.000 0.210 21 L C 1.968 178.827 176.870 -0.019 0.000 1.076 21 L CA 1.629 56.453 54.840 -0.026 0.000 0.749 21 L CB -0.375 41.669 42.059 -0.026 0.000 0.893 21 L HN 0.300 nan 8.230 nan 0.000 0.432 22 I N -0.937 119.625 120.570 -0.015 0.000 2.286 22 I HA -0.273 3.893 4.170 -0.006 0.000 0.248 22 I C 2.609 178.720 176.117 -0.009 0.000 1.115 22 I CA 1.181 62.475 61.300 -0.011 0.000 1.392 22 I CB -0.339 37.656 38.000 -0.009 0.000 1.065 22 I HN 0.269 nan 8.210 nan 0.000 0.418 23 R N 1.253 121.747 120.500 -0.010 0.000 2.075 23 R HA -0.166 4.170 4.340 -0.006 0.000 0.232 23 R C 2.131 178.426 176.300 -0.007 0.000 1.126 23 R CA 1.733 57.828 56.100 -0.008 0.000 0.963 23 R CB -0.438 29.858 30.300 -0.007 0.000 0.858 23 R HN 0.374 nan 8.270 nan 0.000 0.435 24 Q N -0.142 119.651 119.800 -0.012 0.000 2.046 24 Q HA -0.051 4.285 4.340 -0.006 0.000 0.200 24 Q C 2.208 178.203 176.000 -0.008 0.000 0.975 24 Q CA 1.697 57.493 55.803 -0.012 0.000 0.836 24 Q CB -0.151 28.571 28.738 -0.027 0.000 0.896 24 Q HN 0.314 nan 8.270 nan 0.000 0.428 25 L N 0.339 121.556 121.223 -0.011 0.000 2.079 25 L HA -0.224 4.112 4.340 -0.006 0.000 0.210 25 L C 2.120 178.988 176.870 -0.004 0.000 1.081 25 L CA 0.958 55.794 54.840 -0.007 0.000 0.752 25 L CB -0.271 41.782 42.059 -0.009 0.000 0.896 25 L HN 0.261 nan 8.230 nan 0.000 0.433 26 L N -0.956 120.265 121.223 -0.004 0.000 2.395 26 L HA -0.068 4.268 4.340 -0.006 0.000 0.218 26 L C 1.616 178.486 176.870 -0.001 0.000 1.130 26 L CA 0.550 55.388 54.840 -0.003 0.000 0.826 26 L CB -0.058 41.999 42.059 -0.004 0.000 0.941 26 L HN 0.199 nan 8.230 nan 0.000 0.451 27 E N -0.078 120.123 120.200 0.002 0.000 2.569 27 E HA 0.112 4.458 4.350 -0.006 0.000 0.205 27 E C 0.180 176.787 176.600 0.011 0.000 1.006 27 E CA -0.113 56.290 56.400 0.006 0.000 0.985 27 E CB 0.326 30.030 29.700 0.007 0.000 1.060 27 E HN 0.280 nan 8.360 nan 0.000 0.460 28 R N 1.651 122.157 120.500 0.009 0.000 2.594 28 R HA -0.011 4.325 4.340 -0.006 0.000 0.272 28 R C -0.137 176.171 176.300 0.014 0.000 1.074 28 R CA 0.179 56.288 56.100 0.015 0.000 1.105 28 R CB 0.308 30.614 30.300 0.010 0.000 1.008 28 R HN -0.126 nan 8.270 nan 0.000 0.472 29 D N 1.698 122.111 120.400 0.021 0.000 2.723 29 D HA -0.161 4.475 4.640 -0.006 0.000 0.236 29 D C -1.321 174.986 176.300 0.011 0.000 1.138 29 D CA 1.247 55.256 54.000 0.015 0.000 0.676 29 D CB -0.531 40.270 40.800 0.002 0.000 1.069 29 D HN 0.487 nan 8.370 nan 0.000 0.430 30 K N 0.827 121.238 120.400 0.017 0.000 2.478 30 K HA 0.331 4.647 4.320 -0.006 0.000 0.236 30 K C -0.577 176.035 176.600 0.020 0.000 1.021 30 K CA -0.555 55.740 56.287 0.014 0.000 1.010 30 K CB 1.314 33.821 32.500 0.012 0.000 1.331 30 K HN 0.005 nan 8.250 nan 0.000 0.470 31 T N 3.630 118.195 114.554 0.018 0.000 2.771 31 T HA 0.241 4.587 4.350 -0.006 0.000 0.291 31 T C -2.280 172.431 174.700 0.019 0.000 0.954 31 T CA -1.616 60.497 62.100 0.022 0.000 1.045 31 T CB 0.822 69.704 68.868 0.024 0.000 0.917 31 T HN 0.205 nan 8.240 nan 0.000 0.484 32 P HA 0.050 nan 4.420 nan 0.000 0.262 32 P C 0.999 178.309 177.300 0.017 0.000 1.182 32 P CA -0.193 62.916 63.100 0.014 0.000 0.761 32 P CB 0.474 32.182 31.700 0.015 0.000 0.795 33 L N 3.409 124.638 121.223 0.010 0.000 2.187 33 L HA -0.254 4.083 4.340 -0.006 0.000 0.213 33 L C 1.968 178.858 176.870 0.032 0.000 1.100 33 L CA 1.984 56.833 54.840 0.014 0.000 0.765 33 L CB -0.484 41.566 42.059 -0.014 0.000 0.904 33 L HN 0.445 nan 8.230 nan 0.000 0.437 34 A N 0.201 123.030 122.820 0.016 0.000 1.877 34 A HA -0.194 4.122 4.320 -0.006 0.000 0.216 34 A C 2.123 179.737 177.584 0.051 0.000 1.186 34 A CA 1.990 54.042 52.037 0.026 0.000 0.620 34 A CB -0.749 18.255 19.000 0.006 0.000 0.822 34 A HN 0.495 nan 8.150 nan 0.000 0.443 35 I N -0.215 120.374 120.570 0.033 0.000 2.142 35 I HA -0.273 3.894 4.170 -0.006 0.000 0.240 35 I C 2.417 178.550 176.117 0.026 0.000 1.078 35 I CA 1.209 62.523 61.300 0.022 0.000 1.343 35 I CB -0.409 37.602 38.000 0.019 0.000 1.046 35 I HN 0.298 nan 8.210 nan 0.000 0.405 36 L N -0.345 120.905 121.223 0.045 0.000 1.990 36 L HA -0.277 4.059 4.340 -0.006 0.000 0.213 36 L C 2.594 179.497 176.870 0.056 0.000 1.072 36 L CA 1.657 56.526 54.840 0.049 0.000 0.755 36 L CB -0.776 41.318 42.059 0.058 0.000 0.889 36 L HN 0.205 nan 8.230 nan 0.000 0.432 37 F N -0.286 119.627 119.950 -0.062 0.000 2.234 37 F HA -0.209 4.315 4.527 -0.006 0.000 0.299 37 F C 2.454 178.179 175.800 -0.125 0.000 1.087 37 F CA 1.274 59.223 58.000 -0.086 0.000 1.340 37 F CB 0.006 38.948 39.000 -0.097 0.000 1.031 37 F HN -0.017 nan 8.300 nan 0.000 0.500 38 M N 0.011 119.562 119.600 -0.081 0.000 2.254 38 M HA 0.022 4.499 4.480 -0.006 0.000 0.265 38 M C 2.492 178.678 176.300 -0.189 0.000 1.066 38 M CA 1.281 56.457 55.300 -0.206 0.000 1.123 38 M CB -1.854 30.668 32.600 -0.131 0.000 1.388 38 M HN 0.264 nan 8.290 nan 0.000 0.425 39 A N 0.126 122.876 122.820 -0.117 0.000 2.019 39 A HA 0.043 4.359 4.320 -0.006 0.000 0.219 39 A C 2.407 179.918 177.584 -0.122 0.000 1.164 39 A CA 1.794 53.778 52.037 -0.089 0.000 0.644 39 A CB -0.714 18.264 19.000 -0.037 0.000 0.805 39 A HN 0.448 nan 8.150 nan 0.000 0.449 40 A N -0.869 121.838 122.820 -0.188 0.000 1.873 40 A HA -0.012 4.304 4.320 -0.006 0.000 0.215 40 A C 2.252 179.688 177.584 -0.246 0.000 1.186 40 A CA 1.685 53.591 52.037 -0.218 0.000 0.616 40 A CB -0.965 17.853 19.000 -0.304 0.000 0.823 40 A HN 0.628 nan 8.150 nan 0.000 0.442 41 V N -0.345 119.362 119.914 -0.346 0.000 2.809 41 V HA -0.125 3.992 4.120 -0.006 0.000 0.256 41 V C 2.383 178.381 176.094 -0.159 0.000 1.080 41 V CA 1.649 63.785 62.300 -0.273 0.000 1.102 41 V CB -0.144 31.468 31.823 -0.351 0.000 0.705 41 V HN 0.329 nan 8.190 nan 0.000 0.475 42 V N 0.645 120.472 119.914 -0.145 0.000 2.244 42 V HA -0.138 3.978 4.120 -0.006 0.000 0.244 42 V C 2.714 178.761 176.094 -0.079 0.000 1.042 42 V CA 2.258 64.499 62.300 -0.099 0.000 1.006 42 V CB -1.497 30.274 31.823 -0.086 0.000 0.641 42 V HN 0.588 nan 8.190 nan 0.000 0.446 43 G N -0.231 108.524 108.800 -0.075 0.000 2.476 43 G HA2 -0.304 3.652 3.960 -0.006 0.000 0.218 43 G HA3 -0.304 3.652 3.960 -0.006 0.000 0.218 43 G C 1.676 176.553 174.900 -0.039 0.000 1.164 43 G CA 1.816 46.885 45.100 -0.052 0.000 0.768 43 G HN 0.488 nan 8.290 nan 0.000 0.560 44 T N 1.288 115.810 114.554 -0.052 0.000 2.665 44 T HA -0.095 4.252 4.350 -0.006 0.000 0.268 44 T C 2.410 177.097 174.700 -0.023 0.000 1.035 44 T CA 1.225 63.306 62.100 -0.032 0.000 1.151 44 T CB -0.238 68.597 68.868 -0.054 0.000 0.862 44 T HN 0.167 nan 8.240 nan 0.000 0.438 45 L N 0.502 121.699 121.223 -0.045 0.000 2.072 45 L HA -0.043 4.293 4.340 -0.006 0.000 0.205 45 L C 2.704 179.546 176.870 -0.046 0.000 1.079 45 L CA 0.686 55.497 54.840 -0.048 0.000 0.752 45 L CB -0.544 41.478 42.059 -0.061 0.000 0.906 45 L HN 0.140 nan 8.230 nan 0.000 0.436 46 V N 0.102 119.989 119.914 -0.045 0.000 2.295 46 V HA -0.219 3.897 4.120 -0.006 0.000 0.246 46 V C 2.631 178.715 176.094 -0.016 0.000 1.049 46 V CA 2.007 64.282 62.300 -0.041 0.000 1.024 46 V CB -1.395 30.400 31.823 -0.047 0.000 0.648 46 V HN 0.568 nan 8.190 nan 0.000 0.447 47 G N -0.023 108.781 108.800 0.006 0.000 2.459 47 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.217 47 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.217 47 G C 1.601 176.537 174.900 0.059 0.000 1.183 47 G CA 1.191 46.323 45.100 0.054 0.000 0.776 47 G HN 0.454 nan 8.290 nan 0.000 0.552 48 L N 0.679 121.917 121.223 0.025 0.000 2.042 48 L HA -0.115 4.222 4.340 -0.006 0.000 0.210 48 L C 3.454 180.301 176.870 -0.039 0.000 1.076 48 L CA 1.140 55.968 54.840 -0.021 0.000 0.749 48 L CB -0.466 41.575 42.059 -0.030 0.000 0.893 48 L HN 0.333 nan 8.230 nan 0.000 0.432 49 A N 0.007 122.811 122.820 -0.028 0.000 1.858 49 A HA -0.175 4.142 4.320 -0.006 0.000 0.216 49 A C 2.488 180.134 177.584 0.104 0.000 1.190 49 A CA 1.778 53.810 52.037 -0.008 0.000 0.617 49 A CB -0.796 18.171 19.000 -0.056 0.000 0.827 49 A HN 0.402 nan 8.150 nan 0.000 0.443 50 A N -0.897 121.966 122.820 0.070 0.000 2.067 50 A HA 0.106 4.422 4.320 -0.006 0.000 0.219 50 A C 2.166 179.855 177.584 0.176 0.000 1.158 50 A CA 1.582 53.683 52.037 0.108 0.000 0.661 50 A CB -0.622 18.401 19.000 0.037 0.000 0.801 50 A HN 0.341 nan 8.150 nan 0.000 0.452 51 V N -0.472 119.508 119.914 0.109 0.000 2.323 51 V HA -0.167 3.950 4.120 -0.006 0.000 0.244 51 V C 3.047 179.134 176.094 -0.012 0.000 1.041 51 V CA 1.738 64.054 62.300 0.028 0.000 1.025 51 V CB -1.017 30.735 31.823 -0.118 0.000 0.656 51 V HN 0.592 nan 8.190 nan 0.000 0.451 52 A N -0.346 122.475 122.820 0.002 0.000 1.883 52 A HA -0.278 4.038 4.320 -0.006 0.000 0.217 52 A C 2.136 179.803 177.584 0.138 0.000 1.186 52 A CA 2.248 54.314 52.037 0.048 0.000 0.624 52 A CB -0.834 18.222 19.000 0.094 0.000 0.822 52 A HN 0.538 nan 8.150 nan 0.000 0.444 53 F N 1.041 121.056 119.950 0.108 0.000 2.095 53 F HA -0.229 4.294 4.527 -0.007 0.000 0.298 53 F C 1.938 177.699 175.800 -0.065 0.000 1.104 53 F CA 2.318 60.288 58.000 -0.051 0.000 1.232 53 F CB -0.245 38.749 39.000 -0.010 0.000 0.987 53 F HN 0.344 nan 8.300 nan 0.000 0.475 54 D N 0.041 120.528 120.400 0.145 0.000 2.144 54 D HA -0.155 4.481 4.640 -0.006 0.000 0.199 54 D C 2.001 178.282 176.300 -0.031 0.000 0.984 54 D CA 1.162 55.203 54.000 0.068 0.000 0.834 54 D CB -0.065 40.841 40.800 0.176 0.000 0.955 54 D HN 0.114 nan 8.370 nan 0.000 0.465 55 K N -0.190 120.188 120.400 -0.037 0.000 2.103 55 K HA 0.065 4.382 4.320 -0.006 0.000 0.204 55 K C 2.129 178.709 176.600 -0.033 0.000 1.052 55 K CA 0.977 57.243 56.287 -0.036 0.000 0.945 55 K CB -0.684 31.776 32.500 -0.067 0.000 0.722 55 K HN 0.232 nan 8.250 nan 0.000 0.443 56 G N 0.935 109.665 108.800 -0.116 0.000 2.402 56 G HA2 -0.170 3.786 3.960 -0.006 0.000 0.216 56 G HA3 -0.170 3.786 3.960 -0.006 0.000 0.216 56 G C 1.680 176.519 174.900 -0.101 0.000 1.162 56 G CA 0.569 45.594 45.100 -0.125 0.000 0.777 56 G HN 0.101 nan 8.290 nan 0.000 0.539 57 V N 1.456 121.194 119.914 -0.293 0.000 2.427 57 V HA -0.094 4.022 4.120 -0.006 0.000 0.248 57 V C 3.271 179.318 176.094 -0.079 0.000 1.051 57 V CA 1.938 64.079 62.300 -0.264 0.000 1.048 57 V CB -0.614 30.950 31.823 -0.432 0.000 0.666 57 V HN 0.459 nan 8.190 nan 0.000 0.456 58 A N -1.421 121.384 122.820 -0.025 0.000 2.014 58 A HA -0.232 4.084 4.320 -0.006 0.000 0.218 58 A C 1.918 179.548 177.584 0.077 0.000 1.163 58 A CA 1.478 53.533 52.037 0.030 0.000 0.652 58 A CB -0.722 18.304 19.000 0.045 0.000 0.808 58 A HN 0.742 nan 8.150 nan 0.000 0.449 59 W N 0.440 121.695 121.300 -0.075 0.000 2.409 59 W HA -0.039 4.618 4.660 -0.005 0.000 0.299 59 W C 1.639 178.124 176.519 -0.056 0.000 1.203 59 W CA 1.558 58.869 57.345 -0.057 0.000 1.298 59 W CB -0.187 29.237 29.460 -0.060 0.000 1.127 59 W HN 0.223 nan 8.180 nan 0.000 0.528 60 L N 0.290 121.533 121.223 0.034 0.000 2.093 60 L HA -0.221 4.116 4.340 -0.006 0.000 0.208 60 L C 2.573 179.334 176.870 -0.181 0.000 1.085 60 L CA 1.425 56.181 54.840 -0.141 0.000 0.755 60 L CB -0.915 41.144 42.059 -0.001 0.000 0.904 60 L HN 0.049 nan 8.230 nan 0.000 0.435 61 Q N -0.467 119.270 119.800 -0.106 0.000 2.224 61 Q HA -0.199 4.137 4.340 -0.006 0.000 0.203 61 Q C 1.998 177.933 176.000 -0.108 0.000 0.970 61 Q CA 1.282 57.038 55.803 -0.080 0.000 0.865 61 Q CB -0.151 28.568 28.738 -0.032 0.000 0.922 61 Q HN 0.527 nan 8.270 nan 0.000 0.445 62 N N -0.123 118.479 118.700 -0.164 0.000 2.207 62 N HA -0.158 4.578 4.740 -0.006 0.000 0.182 62 N C 1.574 176.918 175.510 -0.277 0.000 1.020 62 N CA 0.721 53.659 53.050 -0.187 0.000 0.858 62 N CB 0.291 38.673 38.487 -0.176 0.000 0.991 62 N HN 0.188 nan 8.380 nan 0.000 0.427 63 Q N 1.049 120.566 119.800 -0.472 0.000 2.084 63 Q HA -0.049 4.287 4.340 -0.006 0.000 0.202 63 Q C 2.089 177.933 176.000 -0.261 0.000 0.978 63 Q CA 0.964 56.488 55.803 -0.466 0.000 0.844 63 Q CB -0.447 27.854 28.738 -0.727 0.000 0.898 63 Q HN 0.430 nan 8.270 nan 0.000 0.426 64 R N -0.064 120.309 120.500 -0.211 0.000 2.096 64 R HA 0.012 4.348 4.340 -0.006 0.000 0.235 64 R C 1.999 178.252 176.300 -0.078 0.000 1.127 64 R CA 1.036 57.063 56.100 -0.123 0.000 0.968 64 R CB -0.170 30.076 30.300 -0.091 0.000 0.861 64 R HN 0.217 nan 8.270 nan 0.000 0.440 65 M N -0.150 119.411 119.600 -0.066 0.000 2.563 65 M HA 0.054 4.530 4.480 -0.006 0.000 0.231 65 M C 1.312 177.596 176.300 -0.026 0.000 1.136 65 M CA 0.252 55.543 55.300 -0.016 0.000 1.026 65 M CB 0.657 33.264 32.600 0.013 0.000 1.597 65 M HN 0.180 nan 8.290 nan 0.000 0.495 66 G N -0.782 107.977 108.800 -0.069 0.000 2.545 66 G HA2 0.052 4.009 3.960 -0.006 0.000 0.212 66 G HA3 0.052 4.009 3.960 -0.006 0.000 0.212 66 G C 1.354 176.234 174.900 -0.033 0.000 1.144 66 G CA 0.612 45.675 45.100 -0.061 0.000 0.813 66 G HN 0.511 nan 8.290 nan 0.000 0.531 67 A N 0.894 123.686 122.820 -0.046 0.000 1.929 67 A HA 0.225 4.542 4.320 -0.006 0.000 0.216 67 A C 2.149 179.735 177.584 0.003 0.000 1.176 67 A CA 0.549 52.580 52.037 -0.009 0.000 0.628 67 A CB -0.344 18.634 19.000 -0.036 0.000 0.816 67 A HN 0.303 nan 8.150 nan 0.000 0.444 68 L N -0.195 121.007 121.223 -0.035 0.000 2.642 68 L HA -0.076 4.261 4.340 -0.006 0.000 0.236 68 L C 1.771 178.633 176.870 -0.014 0.000 1.169 68 L CA 0.171 54.968 54.840 -0.072 0.000 0.851 68 L CB -0.356 41.655 42.059 -0.080 0.000 0.968 68 L HN 0.240 nan 8.230 nan 0.000 0.453 69 V N -1.492 118.436 119.914 0.023 0.000 2.788 69 V HA -0.148 3.968 4.120 -0.006 0.000 0.241 69 V C 2.246 178.370 176.094 0.051 0.000 1.083 69 V CA 0.886 63.211 62.300 0.042 0.000 1.103 69 V CB -0.142 31.709 31.823 0.047 0.000 0.800 69 V HN 0.434 nan 8.190 nan 0.000 0.476 70 H N 1.552 120.606 119.070 -0.027 0.000 2.456 70 H HA -0.111 4.442 4.556 -0.006 0.000 0.296 70 H C 1.633 176.944 175.328 -0.029 0.000 1.079 70 H CA 1.941 57.974 56.048 -0.026 0.000 1.322 70 H CB 0.101 29.844 29.762 -0.032 0.000 1.388 70 H HN 0.539 nan 8.280 nan 0.000 0.538 71 T N -3.455 111.032 114.554 -0.113 0.000 3.355 71 T HA 0.562 4.908 4.350 -0.006 0.000 0.276 71 T C 1.326 175.958 174.700 -0.113 0.000 1.003 71 T CA -0.058 61.946 62.100 -0.162 0.000 0.943 71 T CB 0.215 69.009 68.868 -0.122 0.000 1.158 71 T HN 0.341 nan 8.240 nan 0.000 0.513 72 A N 1.804 124.584 122.820 -0.067 0.000 2.119 72 A HA 0.084 4.400 4.320 -0.006 0.000 0.216 72 A C 1.985 179.581 177.584 0.020 0.000 1.152 72 A CA 1.047 53.078 52.037 -0.011 0.000 0.708 72 A CB -0.277 18.743 19.000 0.033 0.000 0.805 72 A HN 0.695 nan 8.150 nan 0.000 0.460 73 D N -0.269 120.125 120.400 -0.010 0.000 2.162 73 D HA -0.087 4.549 4.640 -0.006 0.000 0.205 73 D C 0.777 177.095 176.300 0.029 0.000 0.964 73 D CA 0.659 54.666 54.000 0.011 0.000 0.847 73 D CB -0.858 39.933 40.800 -0.015 0.000 0.988 73 D HN 0.428 nan 8.370 nan 0.000 0.480 74 N N -0.404 118.294 118.700 -0.004 0.000 2.521 74 N HA 0.043 4.779 4.740 -0.006 0.000 0.236 74 N C 0.060 175.587 175.510 0.028 0.000 1.067 74 N CA -0.422 52.635 53.050 0.012 0.000 0.939 74 N CB 0.154 38.623 38.487 -0.029 0.000 1.201 74 N HN 0.016 nan 8.380 nan 0.000 0.511 75 Y N 5.573 125.857 120.300 -0.028 0.000 2.128 75 Y HA -0.085 4.461 4.550 -0.006 0.000 0.284 75 Y C -1.056 174.821 175.900 -0.038 0.000 1.154 75 Y CA 1.739 59.826 58.100 -0.021 0.000 1.149 75 Y CB -0.509 37.964 38.460 0.022 0.000 0.976 75 Y HN 0.593 nan 8.280 nan 0.000 0.505 76 P HA -0.203 nan 4.420 nan 0.000 0.215 76 P C 1.669 178.922 177.300 -0.078 0.000 1.153 76 P CA 1.454 64.566 63.100 0.020 0.000 0.853 76 P CB -0.147 31.583 31.700 0.050 0.000 0.788 77 L N -1.228 119.953 121.223 -0.071 0.000 2.201 77 L HA -0.051 4.285 4.340 -0.006 0.000 0.212 77 L C 2.109 178.891 176.870 -0.147 0.000 1.105 77 L CA 1.373 56.160 54.840 -0.089 0.000 0.775 77 L CB -1.313 40.706 42.059 -0.067 0.000 0.913 77 L HN -0.118 nan 8.230 nan 0.000 0.440 78 L N -1.299 119.789 121.223 -0.225 0.000 1.988 78 L HA -0.211 4.125 4.340 -0.006 0.000 0.207 78 L C 2.360 178.977 176.870 -0.421 0.000 1.071 78 L CA 1.474 56.096 54.840 -0.364 0.000 0.744 78 L CB -0.245 41.513 42.059 -0.503 0.000 0.893 78 L HN 0.246 nan 8.230 nan 0.000 0.433 79 L N -0.774 120.176 121.223 -0.455 0.000 2.187 79 L HA -0.215 4.121 4.340 -0.006 0.000 0.213 79 L C 2.416 179.207 176.870 -0.131 0.000 1.100 79 L CA 1.499 56.151 54.840 -0.313 0.000 0.765 79 L CB -1.075 40.826 42.059 -0.263 0.000 0.904 79 L HN 0.393 nan 8.230 nan 0.000 0.437 80 T N 0.023 114.504 114.554 -0.121 0.000 2.701 80 T HA -0.137 4.209 4.350 -0.006 0.000 0.263 80 T C 1.926 176.626 174.700 0.001 0.000 1.040 80 T CA 1.649 63.717 62.100 -0.054 0.000 1.147 80 T CB -0.397 68.434 68.868 -0.063 0.000 0.865 80 T HN 0.361 nan 8.240 nan 0.000 0.426 81 V N 0.652 120.535 119.914 -0.050 0.000 2.809 81 V HA 0.156 4.272 4.120 -0.006 0.000 0.256 81 V C 2.568 178.641 176.094 -0.035 0.000 1.080 81 V CA 1.162 63.442 62.300 -0.033 0.000 1.102 81 V CB -1.484 30.308 31.823 -0.051 0.000 0.705 81 V HN 0.423 nan 8.190 nan 0.000 0.475 82 A N -0.094 122.682 122.820 -0.073 0.000 1.930 82 A HA -0.024 4.292 4.320 -0.006 0.000 0.217 82 A C 2.018 179.623 177.584 0.036 0.000 1.175 82 A CA 1.783 53.788 52.037 -0.054 0.000 0.627 82 A CB -0.685 18.240 19.000 -0.126 0.000 0.815 82 A HN 0.624 nan 8.150 nan 0.000 0.443 83 F N 0.179 120.095 119.950 -0.058 0.000 2.179 83 F HA 0.088 4.611 4.527 -0.007 0.000 0.292 83 F C 1.844 177.635 175.800 -0.015 0.000 1.089 83 F CA 1.173 59.159 58.000 -0.024 0.000 1.295 83 F CB -0.114 38.871 39.000 -0.024 0.000 1.041 83 F HN 0.084 nan 8.300 nan 0.000 0.487 84 L N -0.963 120.421 121.223 0.268 0.000 2.217 84 L HA -0.225 4.111 4.340 -0.006 0.000 0.211 84 L C 2.390 179.289 176.870 0.049 0.000 1.107 84 L CA 0.694 55.639 54.840 0.176 0.000 0.783 84 L CB -0.809 41.326 42.059 0.126 0.000 0.919 84 L HN 0.310 nan 8.230 nan 0.000 0.442 85 C N -1.227 118.078 119.300 0.008 0.000 2.476 85 C HA -0.083 4.374 4.460 -0.006 0.000 0.278 85 C C 3.080 178.048 174.990 -0.038 0.000 1.274 85 C CA 0.811 59.814 59.018 -0.024 0.000 1.713 85 C CB -0.341 27.374 27.740 -0.042 0.000 2.039 85 C HN 0.453 nan 8.230 nan 0.000 0.484 86 S N 0.809 116.468 115.700 -0.068 0.000 2.387 86 S HA -0.031 4.435 4.470 -0.006 0.000 0.226 86 S C 2.121 176.663 174.600 -0.097 0.000 1.026 86 S CA 1.123 59.272 58.200 -0.084 0.000 0.972 86 S CB -0.361 62.767 63.200 -0.120 0.000 0.814 86 S HN 0.676 nan 8.310 nan 0.000 0.477 87 A N 1.286 124.005 122.820 -0.169 0.000 1.845 87 A HA -0.062 4.254 4.320 -0.006 0.000 0.215 87 A C 2.309 179.899 177.584 0.010 0.000 1.195 87 A CA 1.621 53.580 52.037 -0.130 0.000 0.616 87 A CB -1.073 17.860 19.000 -0.112 0.000 0.832 87 A HN 0.325 nan 8.150 nan 0.000 0.443 88 V N -0.010 119.922 119.914 0.030 0.000 2.392 88 V HA -0.248 3.868 4.120 -0.006 0.000 0.249 88 V C 2.518 178.676 176.094 0.106 0.000 1.059 88 V CA 1.971 64.308 62.300 0.062 0.000 1.051 88 V CB -0.665 31.177 31.823 0.032 0.000 0.658 88 V HN 0.540 nan 8.190 nan 0.000 0.455 89 L N -0.537 120.735 121.223 0.082 0.000 2.179 89 L HA -0.017 4.319 4.340 -0.006 0.000 0.208 89 L C 2.613 179.613 176.870 0.216 0.000 1.096 89 L CA 1.102 56.020 54.840 0.129 0.000 0.779 89 L CB -0.592 41.501 42.059 0.057 0.000 0.922 89 L HN 0.341 nan 8.230 nan 0.000 0.443 90 A N -0.049 122.881 122.820 0.184 0.000 1.872 90 A HA -0.191 4.125 4.320 -0.006 0.000 0.214 90 A C 2.309 180.141 177.584 0.413 0.000 1.187 90 A CA 1.312 53.524 52.037 0.291 0.000 0.614 90 A CB -0.388 18.769 19.000 0.261 0.000 0.826 90 A HN 0.256 nan 8.150 nan 0.000 0.442 91 M N -1.824 117.942 119.600 0.276 0.000 2.073 91 M HA -0.170 4.306 4.480 -0.006 0.000 0.258 91 M C 2.207 178.702 176.300 0.325 0.000 1.070 91 M CA 2.145 57.595 55.300 0.250 0.000 1.103 91 M CB -0.621 32.064 32.600 0.142 0.000 1.321 91 M HN 0.541 nan 8.290 nan 0.000 0.405 92 F N 0.903 120.958 119.950 0.174 0.000 2.161 92 F HA -0.143 4.380 4.527 -0.007 0.000 0.300 92 F C 2.101 178.040 175.800 0.232 0.000 1.089 92 F CA 1.753 59.875 58.000 0.203 0.000 1.282 92 F CB -0.475 38.606 39.000 0.135 0.000 1.010 92 F HN 0.073 nan 8.300 nan 0.000 0.485 93 G N -1.122 107.823 108.800 0.243 0.000 2.404 93 G HA2 -0.271 3.685 3.960 -0.006 0.000 0.214 93 G HA3 -0.271 3.685 3.960 -0.006 0.000 0.214 93 G C 1.343 176.224 174.900 -0.032 0.000 1.189 93 G CA 0.795 45.936 45.100 0.068 0.000 0.789 93 G HN 0.433 nan 8.290 nan 0.000 0.533 94 Y N -0.229 120.076 120.300 0.010 0.000 2.207 94 Y HA -0.067 4.479 4.550 -0.007 0.000 0.287 94 Y C 2.351 178.189 175.900 -0.103 0.000 1.156 94 Y CA 1.415 59.475 58.100 -0.067 0.000 1.182 94 Y CB -0.437 38.027 38.460 0.008 0.000 0.979 94 Y HN 0.258 nan 8.280 nan 0.000 0.521 95 F N -0.245 119.702 119.950 -0.005 0.000 2.014 95 F HA -0.249 4.274 4.527 -0.007 0.000 0.295 95 F C 2.115 177.839 175.800 -0.126 0.000 1.145 95 F CA 1.192 59.144 58.000 -0.080 0.000 1.178 95 F CB -0.493 38.474 39.000 -0.055 0.000 0.972 95 F HN -0.148 nan 8.300 nan 0.000 0.476 96 L N 0.391 121.414 121.223 -0.334 0.000 2.151 96 L HA -0.251 4.085 4.340 -0.006 0.000 0.215 96 L C 2.354 179.087 176.870 -0.229 0.000 1.084 96 L CA 1.331 55.984 54.840 -0.312 0.000 0.764 96 L CB -1.397 40.470 42.059 -0.321 0.000 0.891 96 L HN 0.210 nan 8.230 nan 0.000 0.435 97 V N -0.633 119.127 119.914 -0.256 0.000 2.229 97 V HA -0.214 3.902 4.120 -0.006 0.000 0.243 97 V C 2.674 178.565 176.094 -0.337 0.000 1.042 97 V CA 1.342 63.482 62.300 -0.267 0.000 1.000 97 V CB -0.463 31.177 31.823 -0.305 0.000 0.637 97 V HN 0.373 nan 8.190 nan 0.000 0.446 98 R N 0.285 120.539 120.500 -0.410 0.000 2.105 98 R HA -0.163 4.173 4.340 -0.006 0.000 0.239 98 R C 2.230 178.279 176.300 -0.418 0.000 1.135 98 R CA 1.554 57.396 56.100 -0.430 0.000 0.967 98 R CB -0.524 29.539 30.300 -0.394 0.000 0.861 98 R HN 0.408 nan 8.270 nan 0.000 0.442 99 K N -0.527 119.504 120.400 -0.615 0.000 2.137 99 K HA -0.037 4.280 4.320 -0.006 0.000 0.202 99 K C 1.216 177.325 176.600 -0.818 0.000 1.052 99 K CA 1.248 57.034 56.287 -0.834 0.000 0.961 99 K CB 0.101 31.743 32.500 -1.430 0.000 0.741 99 K HN 0.164 nan 8.250 nan 0.000 0.452 100 Y N -1.627 118.468 120.300 -0.342 0.000 2.467 100 Y HA 0.492 5.038 4.550 -0.007 0.000 0.259 100 Y C -0.115 175.665 175.900 -0.200 0.000 1.084 100 Y CA -0.156 57.803 58.100 -0.236 0.000 1.275 100 Y CB 1.250 39.576 38.460 -0.222 0.000 1.208 100 Y HN 0.024 nan 8.280 nan 0.000 0.511 101 A N 0.110 122.871 122.820 -0.100 0.000 2.839 101 A HA 0.430 4.747 4.320 -0.006 0.000 0.303 101 A C -2.540 174.944 177.584 -0.167 0.000 1.181 101 A CA -0.921 51.040 52.037 -0.128 0.000 0.808 101 A CB 0.394 19.323 19.000 -0.117 0.000 1.391 101 A HN -0.056 nan 8.150 nan 0.000 0.433 102 P HA -0.170 nan 4.420 nan 0.000 0.220 102 P C 1.236 178.448 177.300 -0.146 0.000 1.148 102 P CA 1.600 64.591 63.100 -0.183 0.000 0.803 102 P CB 0.249 31.865 31.700 -0.140 0.000 0.782 103 E N 0.228 120.355 120.200 -0.122 0.000 2.150 103 E HA -0.063 4.283 4.350 -0.006 0.000 0.193 103 E C 1.516 178.054 176.600 -0.102 0.000 0.985 103 E CA 0.875 57.215 56.400 -0.099 0.000 0.814 103 E CB -0.896 28.745 29.700 -0.098 0.000 0.752 103 E HN 0.090 nan 8.360 nan 0.000 0.466 104 A N 1.780 124.527 122.820 -0.122 0.000 2.281 104 A HA 0.250 4.566 4.320 -0.006 0.000 0.231 104 A C 0.843 178.346 177.584 -0.135 0.000 1.317 104 A CA 0.352 52.321 52.037 -0.113 0.000 0.959 104 A CB -0.622 18.314 19.000 -0.107 0.000 0.900 104 A HN 0.263 nan 8.150 nan 0.000 0.497 105 G N -2.402 106.310 108.800 -0.147 0.000 2.434 105 G HA2 0.596 4.552 3.960 -0.006 0.000 0.330 105 G HA3 0.596 4.552 3.960 -0.006 0.000 0.330 105 G C 0.629 175.431 174.900 -0.162 0.000 1.155 105 G CA 0.099 45.092 45.100 -0.178 0.000 0.917 105 G HN 1.380 nan 8.290 nan 0.000 0.493 106 G N 0.108 108.769 108.800 -0.231 0.000 2.547 106 G HA2 -0.230 3.726 3.960 -0.006 0.000 0.271 106 G HA3 -0.230 3.726 3.960 -0.006 0.000 0.271 106 G C 1.481 176.312 174.900 -0.114 0.000 1.209 106 G CA 1.018 45.882 45.100 -0.393 0.000 0.959 106 G HN 1.555 nan 8.290 nan 0.000 0.563 107 S N -0.518 115.244 115.700 0.102 0.000 2.326 107 S HA 0.304 4.771 4.470 -0.006 0.000 0.211 107 S C 2.305 176.978 174.600 0.121 0.000 1.031 107 S CA 3.118 61.504 58.200 0.311 0.000 0.985 107 S CB -0.687 62.813 63.200 0.501 0.000 0.961 107 S HN 2.788 nan 8.310 nan 0.000 0.436 108 G N -0.228 108.636 108.800 0.107 0.000 2.255 108 G HA2 -0.164 3.792 3.960 -0.006 0.000 0.196 108 G HA3 -0.164 3.792 3.960 -0.006 0.000 0.196 108 G C 0.864 175.813 174.900 0.082 0.000 0.998 108 G CA 0.271 45.403 45.100 0.052 0.000 0.656 108 G HN 0.492 nan 8.290 nan 0.000 0.490 109 I N 1.633 122.290 120.570 0.146 0.000 2.226 109 I HA -0.077 4.090 4.170 -0.006 0.000 0.245 109 I C 0.067 176.271 176.117 0.145 0.000 1.100 109 I CA 1.810 63.222 61.300 0.188 0.000 1.374 109 I CB -0.643 37.550 38.000 0.320 0.000 1.057 109 I HN 0.176 nan 8.210 nan 0.000 0.413 110 P HA -0.139 nan 4.420 nan 0.000 0.219 110 P C 1.358 178.696 177.300 0.064 0.000 1.150 110 P CA 1.159 64.322 63.100 0.105 0.000 0.814 110 P CB 0.110 31.880 31.700 0.116 0.000 0.787 111 E N -0.221 120.010 120.200 0.051 0.000 2.072 111 E HA -0.117 4.229 4.350 -0.006 0.000 0.191 111 E C 1.829 178.442 176.600 0.021 0.000 0.985 111 E CA 1.019 57.434 56.400 0.024 0.000 0.801 111 E CB -0.727 28.975 29.700 0.004 0.000 0.750 111 E HN 0.022 nan 8.360 nan 0.000 0.452 112 I N 0.881 121.466 120.570 0.026 0.000 2.546 112 I HA -0.102 4.064 4.170 -0.006 0.000 0.255 112 I C 1.906 178.026 176.117 0.006 0.000 1.163 112 I CA 1.059 62.369 61.300 0.017 0.000 1.457 112 I CB -0.997 37.014 38.000 0.018 0.000 1.092 112 I HN 0.223 nan 8.210 nan 0.000 0.434 113 E N 1.055 121.260 120.200 0.008 0.000 2.106 113 E HA -0.129 4.218 4.350 -0.006 0.000 0.192 113 E C 2.318 178.923 176.600 0.008 0.000 0.984 113 E CA 1.121 57.514 56.400 -0.011 0.000 0.806 113 E CB -0.180 29.521 29.700 0.000 0.000 0.750 113 E HN 0.542 nan 8.360 nan 0.000 0.458 114 G N 0.826 109.641 108.800 0.025 0.000 2.421 114 G HA2 -0.178 3.778 3.960 -0.006 0.000 0.217 114 G HA3 -0.178 3.778 3.960 -0.006 0.000 0.217 114 G C 1.624 176.547 174.900 0.038 0.000 1.143 114 G CA 0.673 45.793 45.100 0.033 0.000 0.784 114 G HN 0.317 nan 8.290 nan 0.000 0.541 115 A N 0.520 123.361 122.820 0.035 0.000 1.969 115 A HA 0.171 4.487 4.320 -0.006 0.000 0.218 115 A C 2.308 179.942 177.584 0.083 0.000 1.169 115 A CA 0.916 52.983 52.037 0.051 0.000 0.635 115 A CB -0.300 18.724 19.000 0.040 0.000 0.810 115 A HN 0.341 nan 8.150 nan 0.000 0.445 116 L N -0.587 120.670 121.223 0.056 0.000 2.376 116 L HA -0.042 4.294 4.340 -0.006 0.000 0.219 116 L C 1.806 178.682 176.870 0.011 0.000 1.133 116 L CA 0.707 55.574 54.840 0.046 0.000 0.816 116 L CB -0.115 41.909 42.059 -0.059 0.000 0.933 116 L HN 0.319 nan 8.230 nan 0.000 0.449 117 E N -0.777 119.445 120.200 0.037 0.000 2.474 117 E HA -0.044 4.302 4.350 -0.006 0.000 0.195 117 E C -0.299 176.355 176.600 0.090 0.000 1.039 117 E CA 0.084 56.513 56.400 0.049 0.000 0.881 117 E CB 0.258 29.988 29.700 0.050 0.000 0.970 117 E HN 0.271 nan 8.360 nan 0.000 0.486 118 D N 1.043 121.512 120.400 0.114 0.000 2.772 118 D HA -0.167 4.469 4.640 -0.006 0.000 0.233 118 D C 0.638 176.978 176.300 0.066 0.000 1.143 118 D CA 0.609 54.669 54.000 0.099 0.000 0.700 118 D CB -0.623 40.245 40.800 0.113 0.000 1.076 118 D HN 0.282 nan 8.370 nan 0.000 0.430 119 Q N -1.010 118.823 119.800 0.055 0.000 2.245 119 Q HA 0.129 4.465 4.340 -0.006 0.000 0.236 119 Q C 0.632 176.652 176.000 0.033 0.000 0.842 119 Q CA 0.352 56.179 55.803 0.041 0.000 0.945 119 Q CB 1.206 29.966 28.738 0.036 0.000 1.122 119 Q HN 0.225 nan 8.270 nan 0.000 0.506 120 R N 1.338 121.859 120.500 0.035 0.000 2.750 120 R HA 0.537 4.873 4.340 -0.006 0.000 0.281 120 R C -2.498 173.818 176.300 0.026 0.000 0.972 120 R CA -1.969 54.145 56.100 0.023 0.000 0.912 120 R CB 1.050 31.359 30.300 0.015 0.000 1.187 120 R HN -0.061 nan 8.270 nan 0.000 0.464 121 P HA 0.231 nan 4.420 nan 0.000 0.282 121 P C -0.211 177.075 177.300 -0.023 0.000 1.249 121 P CA -0.487 62.624 63.100 0.018 0.000 0.806 121 P CB 0.956 32.669 31.700 0.022 0.000 0.984 122 V N 3.043 122.955 119.914 -0.002 0.000 2.370 122 V HA 0.203 4.320 4.120 -0.006 0.000 0.279 122 V C 1.051 177.047 176.094 -0.164 0.000 1.280 122 V CA -0.472 61.814 62.300 -0.024 0.000 1.392 122 V CB -1.129 30.735 31.823 0.067 0.000 1.464 122 V HN 0.427 nan 8.190 nan 0.000 0.525 123 R N 2.869 123.087 120.500 -0.469 0.000 2.824 123 R HA -0.014 4.322 4.340 -0.006 0.000 0.240 123 R C 1.354 176.929 176.300 -1.209 0.000 1.548 123 R CA -0.059 55.232 56.100 -1.349 0.000 1.119 123 R CB -0.037 29.588 30.300 -1.124 0.000 1.189 123 R HN 0.898 nan 8.270 nan 0.000 0.596 124 W N 2.293 123.111 121.300 -0.804 0.000 2.381 124 W HA -0.194 4.462 4.660 -0.007 0.000 0.301 124 W C 0.946 177.330 176.519 -0.225 0.000 1.205 124 W CA 0.461 57.614 57.345 -0.321 0.000 1.285 124 W CB -1.120 28.305 29.460 -0.058 0.000 1.133 124 W HN 0.572 nan 8.180 nan 0.000 0.521 125 W N 1.891 122.728 121.300 -0.772 0.000 2.389 125 W HA -0.022 4.635 4.660 -0.006 0.000 0.267 125 W C 2.022 178.395 176.519 -0.243 0.000 1.219 125 W CA 1.514 58.473 57.345 -0.644 0.000 1.189 125 W CB -1.206 27.706 29.460 -0.914 0.000 1.129 125 W HN -0.185 nan 8.180 nan 0.000 0.581 126 R N 0.250 120.406 120.500 -0.573 0.000 2.102 126 R HA 0.053 4.389 4.340 -0.006 0.000 0.208 126 R C 2.214 178.404 176.300 -0.183 0.000 1.131 126 R CA 1.051 56.961 56.100 -0.318 0.000 1.054 126 R CB -0.638 29.411 30.300 -0.419 0.000 0.954 126 R HN 0.146 nan 8.270 nan 0.000 0.465 127 V N 2.225 122.008 119.914 -0.218 0.000 2.307 127 V HA -0.211 3.906 4.120 -0.006 0.000 0.245 127 V C 2.439 178.523 176.094 -0.017 0.000 1.045 127 V CA 1.565 63.799 62.300 -0.110 0.000 1.024 127 V CB -0.545 31.206 31.823 -0.120 0.000 0.651 127 V HN 0.244 nan 8.190 nan 0.000 0.449 128 L N 0.607 121.843 121.223 0.023 0.000 1.978 128 L HA -0.166 4.171 4.340 -0.006 0.000 0.218 128 L C 0.368 177.299 176.870 0.102 0.000 1.075 128 L CA 2.257 57.137 54.840 0.067 0.000 0.767 128 L CB -2.050 40.083 42.059 0.123 0.000 0.890 128 L HN 0.388 nan 8.230 nan 0.000 0.434 129 P HA -0.066 nan 4.420 nan 0.000 0.222 129 P C 1.813 179.313 177.300 0.333 0.000 1.153 129 P CA 1.070 64.336 63.100 0.277 0.000 0.798 129 P CB 0.172 31.982 31.700 0.183 0.000 0.796 130 V N 0.918 120.915 119.914 0.139 0.000 2.256 130 V HA -0.145 3.971 4.120 -0.006 0.000 0.240 130 V C 2.743 178.902 176.094 0.107 0.000 1.036 130 V CA 1.958 64.308 62.300 0.084 0.000 1.008 130 V CB -1.119 30.694 31.823 -0.016 0.000 0.648 130 V HN 0.028 nan 8.190 nan 0.000 0.453 131 K N 0.018 120.453 120.400 0.059 0.000 2.113 131 K HA -0.219 4.097 4.320 -0.006 0.000 0.208 131 K C 1.891 178.552 176.600 0.100 0.000 1.047 131 K CA 1.868 58.174 56.287 0.031 0.000 0.928 131 K CB -0.609 31.877 32.500 -0.024 0.000 0.716 131 K HN 0.401 nan 8.250 nan 0.000 0.446 132 F N -0.442 119.503 119.950 -0.009 0.000 2.031 132 F HA -0.156 4.367 4.527 -0.006 0.000 0.295 132 F C 1.597 177.434 175.800 0.063 0.000 1.133 132 F CA 1.711 59.706 58.000 -0.009 0.000 1.188 132 F CB -0.356 38.522 39.000 -0.204 0.000 0.974 132 F HN -0.006 nan 8.300 nan 0.000 0.473 133 F N 0.735 120.796 119.950 0.184 0.000 2.325 133 F HA 0.073 4.596 4.527 -0.006 0.000 0.299 133 F C 2.551 178.427 175.800 0.126 0.000 1.090 133 F CA 1.104 59.169 58.000 0.109 0.000 1.392 133 F CB -1.339 37.831 39.000 0.283 0.000 1.053 133 F HN 0.110 nan 8.300 nan 0.000 0.521 134 G N -0.176 108.757 108.800 0.222 0.000 2.404 134 G HA2 -0.111 3.845 3.960 -0.006 0.000 0.214 134 G HA3 -0.111 3.845 3.960 -0.006 0.000 0.214 134 G C 2.078 177.037 174.900 0.097 0.000 1.189 134 G CA 0.742 45.895 45.100 0.088 0.000 0.789 134 G HN 0.460 nan 8.290 nan 0.000 0.533 135 G N 0.901 109.778 108.800 0.129 0.000 2.446 135 G HA2 -0.188 3.768 3.960 -0.006 0.000 0.217 135 G HA3 -0.188 3.768 3.960 -0.006 0.000 0.217 135 G C 1.802 176.802 174.900 0.167 0.000 1.168 135 G CA 0.945 46.175 45.100 0.218 0.000 0.771 135 G HN 0.358 nan 8.290 nan 0.000 0.551 136 L N 1.144 122.389 121.223 0.038 0.000 2.034 136 L HA -0.118 4.218 4.340 -0.006 0.000 0.217 136 L C 2.987 179.815 176.870 -0.070 0.000 1.077 136 L CA 2.383 57.056 54.840 -0.277 0.000 0.769 136 L CB -0.619 41.251 42.059 -0.315 0.000 0.890 136 L HN 0.267 nan 8.230 nan 0.000 0.435 137 G N -2.267 106.595 108.800 0.103 0.000 2.414 137 G HA2 -0.274 3.683 3.960 -0.006 0.000 0.215 137 G HA3 -0.274 3.683 3.960 -0.006 0.000 0.215 137 G C 1.525 176.484 174.900 0.098 0.000 1.188 137 G CA 1.246 46.443 45.100 0.162 0.000 0.783 137 G HN 0.490 nan 8.290 nan 0.000 0.537 138 T N -0.206 114.398 114.554 0.082 0.000 2.777 138 T HA 0.041 4.387 4.350 -0.006 0.000 0.266 138 T C 2.272 177.000 174.700 0.046 0.000 1.040 138 T CA 0.780 62.917 62.100 0.061 0.000 1.141 138 T CB -0.193 68.675 68.868 0.000 0.000 0.868 138 T HN -0.001 nan 8.240 nan 0.000 0.444 139 L N 1.560 122.803 121.223 0.034 0.000 2.072 139 L HA 0.188 4.524 4.340 -0.006 0.000 0.205 139 L C 3.035 179.887 176.870 -0.030 0.000 1.079 139 L CA 1.995 56.841 54.840 0.010 0.000 0.752 139 L CB -1.827 40.239 42.059 0.013 0.000 0.906 139 L HN 0.517 nan 8.230 nan 0.000 0.436 140 G N -0.618 108.147 108.800 -0.058 0.000 2.448 140 G HA2 -0.192 3.764 3.960 -0.006 0.000 0.219 140 G HA3 -0.192 3.764 3.960 -0.006 0.000 0.219 140 G C 1.447 176.330 174.900 -0.029 0.000 1.127 140 G CA 0.699 45.766 45.100 -0.055 0.000 0.766 140 G HN 0.504 nan 8.290 nan 0.000 0.552 141 G N -0.388 108.409 108.800 -0.005 0.000 2.920 141 G HA2 0.362 4.318 3.960 -0.006 0.000 0.208 141 G HA3 0.362 4.318 3.960 -0.006 0.000 0.208 141 G C 1.235 176.135 174.900 -0.001 0.000 1.159 141 G CA 0.446 45.543 45.100 -0.005 0.000 0.784 141 G HN 1.350 nan 8.290 nan 0.000 0.535 142 G N -0.125 108.678 108.800 0.005 0.000 2.176 142 G HA2 -0.309 3.647 3.960 -0.006 0.000 0.252 142 G HA3 -0.309 3.647 3.960 -0.006 0.000 0.252 142 G C 0.472 175.388 174.900 0.026 0.000 1.024 142 G CA 0.355 45.465 45.100 0.016 0.000 0.755 142 G HN 0.441 nan 8.290 nan 0.000 0.507 143 M N -0.377 119.244 119.600 0.035 0.000 2.232 143 M HA 0.226 4.702 4.480 -0.006 0.000 0.321 143 M C 1.304 177.636 176.300 0.053 0.000 1.101 143 M CA 0.097 55.429 55.300 0.053 0.000 1.181 143 M CB 0.819 33.467 32.600 0.079 0.000 1.432 143 M HN -0.051 nan 8.290 nan 0.000 0.457 144 V N 4.620 124.573 119.914 0.064 0.000 1.984 144 V HA 0.140 4.256 4.120 -0.006 0.000 0.272 144 V C -0.066 176.072 176.094 0.073 0.000 1.706 144 V CA 0.343 62.675 62.300 0.054 0.000 1.644 144 V CB -1.810 30.045 31.823 0.054 0.000 1.509 144 V HN 0.530 nan 8.190 nan 0.000 0.511 145 L N 0.722 121.982 121.223 0.062 0.000 2.350 145 L HA 0.868 5.205 4.340 -0.006 0.000 0.260 145 L C 0.734 177.622 176.870 0.030 0.000 1.015 145 L CA -0.505 54.387 54.840 0.086 0.000 0.821 145 L CB 2.003 44.136 42.059 0.122 0.000 1.370 145 L HN 0.401 nan 8.230 nan 0.000 0.416 146 G N -0.216 108.605 108.800 0.035 0.000 2.557 146 G HA2 0.475 4.431 3.960 -0.006 0.000 0.302 146 G HA3 0.475 4.431 3.960 -0.006 0.000 0.302 146 G C 0.239 175.137 174.900 -0.004 0.000 1.311 146 G CA -0.428 44.653 45.100 -0.031 0.000 1.030 146 G HN 0.653 nan 8.290 nan 0.000 0.509 147 R N -0.885 119.568 120.500 -0.078 0.000 2.189 147 R HA 0.088 4.424 4.340 -0.006 0.000 0.203 147 R C 2.307 178.471 176.300 -0.227 0.000 1.012 147 R CA 0.670 56.719 56.100 -0.086 0.000 1.015 147 R CB 0.103 30.377 30.300 -0.045 0.000 0.938 147 R HN 0.570 nan 8.270 nan 0.000 0.472 148 E N 0.470 120.521 120.200 -0.248 0.000 2.048 148 E HA -0.212 4.134 4.350 -0.006 0.000 0.202 148 E C 1.966 178.465 176.600 -0.168 0.000 1.021 148 E CA 1.674 57.917 56.400 -0.262 0.000 0.825 148 E CB -1.032 28.520 29.700 -0.246 0.000 0.756 148 E HN 0.381 nan 8.360 nan 0.000 0.454 149 G N 1.758 110.525 108.800 -0.054 0.000 2.764 149 G HA2 -0.288 3.668 3.960 -0.006 0.000 0.219 149 G HA3 -0.288 3.668 3.960 -0.006 0.000 0.219 149 G C -0.815 174.027 174.900 -0.096 0.000 1.259 149 G CA 1.641 46.741 45.100 0.000 0.000 0.793 149 G HN 0.308 nan 8.290 nan 0.000 0.633 150 P HA -0.125 nan 4.420 nan 0.000 0.213 150 P C 2.437 179.523 177.300 -0.357 0.000 1.170 150 P CA 2.915 65.809 63.100 -0.343 0.000 0.902 150 P CB -0.526 30.754 31.700 -0.700 0.000 0.789 151 T N -3.197 111.117 114.554 -0.400 0.000 2.821 151 T HA -0.082 4.264 4.350 -0.006 0.000 0.267 151 T C 1.863 176.457 174.700 -0.177 0.000 1.046 151 T CA 1.190 63.110 62.100 -0.299 0.000 1.139 151 T CB -1.486 67.213 68.868 -0.281 0.000 0.871 151 T HN -0.146 nan 8.240 nan 0.000 0.454 152 V N 1.888 121.713 119.914 -0.149 0.000 2.270 152 V HA -0.194 3.922 4.120 -0.006 0.000 0.245 152 V C 2.959 179.028 176.094 -0.041 0.000 1.043 152 V CA 2.190 64.449 62.300 -0.068 0.000 1.014 152 V CB -0.929 30.880 31.823 -0.023 0.000 0.645 152 V HN 0.544 nan 8.190 nan 0.000 0.447 153 Q N -0.113 119.659 119.800 -0.048 0.000 2.002 153 Q HA -0.223 4.113 4.340 -0.006 0.000 0.204 153 Q C 2.227 178.197 176.000 -0.049 0.000 0.988 153 Q CA 2.406 58.187 55.803 -0.037 0.000 0.843 153 Q CB -0.297 28.418 28.738 -0.039 0.000 0.908 153 Q HN 0.618 nan 8.270 nan 0.000 0.420 154 I N 0.514 121.038 120.570 -0.078 0.000 2.248 154 I HA -0.286 3.880 4.170 -0.006 0.000 0.248 154 I C 2.286 178.368 176.117 -0.059 0.000 1.107 154 I CA 1.219 62.479 61.300 -0.066 0.000 1.373 154 I CB -0.674 37.270 38.000 -0.092 0.000 1.055 154 I HN 0.463 nan 8.210 nan 0.000 0.418 155 G N 0.361 109.120 108.800 -0.068 0.000 2.446 155 G HA2 -0.208 3.749 3.960 -0.006 0.000 0.217 155 G HA3 -0.208 3.749 3.960 -0.006 0.000 0.217 155 G C 1.719 176.594 174.900 -0.043 0.000 1.168 155 G CA 0.841 45.907 45.100 -0.057 0.000 0.771 155 G HN 0.504 nan 8.290 nan 0.000 0.551 156 G N 0.831 109.614 108.800 -0.029 0.000 2.422 156 G HA2 -0.219 3.737 3.960 -0.006 0.000 0.218 156 G HA3 -0.219 3.737 3.960 -0.006 0.000 0.218 156 G C 1.714 176.606 174.900 -0.013 0.000 1.146 156 G CA 1.201 46.291 45.100 -0.016 0.000 0.769 156 G HN 0.479 nan 8.290 nan 0.000 0.547 157 N N 0.309 119.004 118.700 -0.008 0.000 2.270 157 N HA 0.014 4.750 4.740 -0.006 0.000 0.181 157 N C 1.997 177.479 175.510 -0.048 0.000 1.016 157 N CA 0.310 53.374 53.050 0.022 0.000 0.870 157 N CB -0.031 38.495 38.487 0.066 0.000 0.979 157 N HN 0.158 nan 8.380 nan 0.000 0.431 158 I N 0.410 120.938 120.570 -0.069 0.000 2.315 158 I HA -0.084 4.082 4.170 -0.006 0.000 0.248 158 I C 2.219 178.255 176.117 -0.136 0.000 1.117 158 I CA 1.102 62.331 61.300 -0.119 0.000 1.404 158 I CB -1.482 36.464 38.000 -0.091 0.000 1.071 158 I HN 0.166 nan 8.210 nan 0.000 0.419 159 G N 0.451 109.196 108.800 -0.092 0.000 2.408 159 G HA2 -0.279 3.677 3.960 -0.006 0.000 0.217 159 G HA3 -0.279 3.677 3.960 -0.006 0.000 0.217 159 G C 1.867 176.717 174.900 -0.084 0.000 1.150 159 G CA 0.650 45.704 45.100 -0.076 0.000 0.776 159 G HN 0.231 nan 8.290 nan 0.000 0.542 160 R N 0.081 120.530 120.500 -0.086 0.000 2.075 160 R HA 0.138 4.475 4.340 -0.006 0.000 0.232 160 R C 2.446 178.586 176.300 -0.266 0.000 1.126 160 R CA 1.546 57.604 56.100 -0.071 0.000 0.963 160 R CB -0.614 29.714 30.300 0.047 0.000 0.858 160 R HN 0.380 nan 8.270 nan 0.000 0.435 161 M N 0.182 119.424 119.600 -0.597 0.000 2.065 161 M HA -0.154 4.322 4.480 -0.006 0.000 0.259 161 M C 1.731 177.698 176.300 -0.555 0.000 1.069 161 M CA 2.423 57.014 55.300 -1.183 0.000 1.110 161 M CB -0.092 31.784 32.600 -1.206 0.000 1.328 161 M HN 0.150 nan 8.290 nan 0.000 0.405 162 V N -1.027 118.736 119.914 -0.252 0.000 3.380 162 V HA -0.094 4.022 4.120 -0.006 0.000 0.268 162 V C 1.956 178.134 176.094 0.139 0.000 1.168 162 V CA 0.979 63.305 62.300 0.045 0.000 1.156 162 V CB -1.062 30.817 31.823 0.095 0.000 0.785 162 V HN 0.591 nan 8.190 nan 0.000 0.487 163 L N 0.621 121.849 121.223 0.008 0.000 2.162 163 L HA 0.133 4.469 4.340 -0.006 0.000 0.205 163 L C 1.992 178.902 176.870 0.067 0.000 1.086 163 L CA 1.913 56.781 54.840 0.048 0.000 0.778 163 L CB -0.394 41.675 42.059 0.018 0.000 0.928 163 L HN 0.210 nan 8.230 nan 0.000 0.446 164 D N -0.319 120.095 120.400 0.023 0.000 2.149 164 D HA -0.050 4.586 4.640 -0.006 0.000 0.206 164 D C 2.325 178.641 176.300 0.027 0.000 0.967 164 D CA 1.490 55.537 54.000 0.079 0.000 0.848 164 D CB -0.073 40.865 40.800 0.230 0.000 0.998 164 D HN 0.338 nan 8.370 nan 0.000 0.474 165 I N -0.006 120.514 120.570 -0.083 0.000 2.208 165 I HA -0.262 3.904 4.170 -0.006 0.000 0.245 165 I C 1.448 177.382 176.117 -0.305 0.000 1.097 165 I CA 1.106 62.269 61.300 -0.228 0.000 1.363 165 I CB -0.162 37.595 38.000 -0.405 0.000 1.051 165 I HN -0.081 nan 8.210 nan 0.000 0.413 166 F N 0.400 120.337 119.950 -0.022 0.000 2.765 166 F HA 0.191 4.714 4.527 -0.006 0.000 0.302 166 F C 0.825 176.629 175.800 0.007 0.000 1.111 166 F CA -0.088 57.912 58.000 -0.001 0.000 1.359 166 F CB -0.001 39.003 39.000 0.007 0.000 1.097 166 F HN -0.099 nan 8.300 nan 0.000 0.577 167 R N 0.719 121.293 120.500 0.124 0.000 3.516 167 R HA -0.194 4.142 4.340 -0.006 0.000 0.271 167 R C -0.643 175.709 176.300 0.086 0.000 1.098 167 R CA 0.221 56.372 56.100 0.085 0.000 0.732 167 R CB -2.688 27.646 30.300 0.056 0.000 1.152 167 R HN 0.334 nan 8.270 nan 0.000 0.455 168 L N 0.682 121.963 121.223 0.098 0.000 2.410 168 L HA 0.194 4.530 4.340 -0.006 0.000 0.273 168 L C 1.124 178.019 176.870 0.041 0.000 1.152 168 L CA 0.584 55.465 54.840 0.068 0.000 0.855 168 L CB 0.526 42.622 42.059 0.062 0.000 1.129 168 L HN -0.002 nan 8.230 nan 0.000 0.463 169 K N 2.308 122.726 120.400 0.029 0.000 2.164 169 K HA 0.756 5.072 4.320 -0.006 0.000 0.258 169 K C -0.310 176.294 176.600 0.006 0.000 0.951 169 K CA -0.119 56.178 56.287 0.017 0.000 0.844 169 K CB 1.713 34.224 32.500 0.019 0.000 1.099 169 K HN 0.747 nan 8.250 nan 0.000 0.435 170 G N 2.765 111.561 108.800 -0.007 0.000 2.576 170 G HA2 -0.142 3.814 3.960 -0.006 0.000 0.686 170 G HA3 -0.142 3.814 3.960 -0.006 0.000 0.686 170 G C -0.206 174.666 174.900 -0.046 0.000 1.242 170 G CA -0.554 44.538 45.100 -0.014 0.000 0.819 170 G HN 0.691 nan 8.290 nan 0.000 0.655 171 D N -0.238 120.132 120.400 -0.049 0.000 2.158 171 D HA -0.090 4.547 4.640 -0.006 0.000 0.197 171 D C 2.030 178.288 176.300 -0.069 0.000 0.995 171 D CA 1.747 55.685 54.000 -0.104 0.000 0.846 171 D CB 0.101 40.900 40.800 -0.002 0.000 0.941 171 D HN 0.671 nan 8.370 nan 0.000 0.456 172 E N -0.030 120.174 120.200 0.005 0.000 2.007 172 E HA -0.189 4.158 4.350 -0.006 0.000 0.194 172 E C 2.038 178.647 176.600 0.014 0.000 0.999 172 E CA 1.176 57.595 56.400 0.032 0.000 0.811 172 E CB -0.090 29.631 29.700 0.034 0.000 0.762 172 E HN 0.184 nan 8.360 nan 0.000 0.450 173 A N 1.421 124.240 122.820 -0.003 0.000 1.892 173 A HA -0.265 4.051 4.320 -0.006 0.000 0.218 173 A C 2.224 179.798 177.584 -0.017 0.000 1.188 173 A CA 1.967 54.002 52.037 -0.004 0.000 0.631 173 A CB -0.707 18.293 19.000 0.000 0.000 0.822 173 A HN 0.264 nan 8.150 nan 0.000 0.447 174 R N -1.491 118.972 120.500 -0.062 0.000 2.092 174 R HA -0.155 4.181 4.340 -0.006 0.000 0.231 174 R C 2.028 178.296 176.300 -0.054 0.000 1.119 174 R CA 1.837 57.885 56.100 -0.086 0.000 0.970 174 R CB -0.361 29.843 30.300 -0.161 0.000 0.864 174 R HN 0.804 nan 8.270 nan 0.000 0.440 175 H N -1.451 117.611 119.070 -0.013 0.000 2.372 175 H HA 0.011 4.563 4.556 -0.006 0.000 0.301 175 H C 1.961 177.265 175.328 -0.040 0.000 1.065 175 H CA 1.531 57.560 56.048 -0.032 0.000 1.364 175 H CB 0.232 29.964 29.762 -0.050 0.000 1.406 175 H HN 0.163 nan 8.280 nan 0.000 0.521 176 T N 1.074 115.684 114.554 0.093 0.000 2.643 176 T HA -0.122 4.224 4.350 -0.006 0.000 0.264 176 T C 2.073 176.782 174.700 0.015 0.000 1.045 176 T CA 1.022 63.143 62.100 0.035 0.000 1.155 176 T CB -0.326 68.557 68.868 0.024 0.000 0.863 176 T HN 0.191 nan 8.240 nan 0.000 0.420 177 L N 0.588 121.815 121.223 0.007 0.000 2.265 177 L HA -0.032 4.304 4.340 -0.006 0.000 0.215 177 L C 2.375 179.238 176.870 -0.011 0.000 1.117 177 L CA 0.569 55.403 54.840 -0.011 0.000 0.782 177 L CB -0.490 41.557 42.059 -0.020 0.000 0.914 177 L HN 0.229 nan 8.230 nan 0.000 0.441 178 L N -0.076 121.152 121.223 0.009 0.000 2.131 178 L HA 0.004 4.340 4.340 -0.006 0.000 0.206 178 L C 2.567 179.436 176.870 -0.002 0.000 1.087 178 L CA 1.726 56.573 54.840 0.012 0.000 0.767 178 L CB -0.473 41.612 42.059 0.044 0.000 0.917 178 L HN 0.082 nan 8.230 nan 0.000 0.441 179 A N -1.066 121.750 122.820 -0.006 0.000 1.897 179 A HA -0.166 4.150 4.320 -0.006 0.000 0.215 179 A C 2.380 179.945 177.584 -0.033 0.000 1.181 179 A CA 1.944 53.960 52.037 -0.034 0.000 0.620 179 A CB -1.320 17.651 19.000 -0.049 0.000 0.821 179 A HN 0.567 nan 8.150 nan 0.000 0.443 180 T N -2.191 112.348 114.554 -0.026 0.000 2.833 180 T HA 0.001 4.348 4.350 -0.006 0.000 0.269 180 T C 1.861 176.540 174.700 -0.034 0.000 1.054 180 T CA 1.876 63.958 62.100 -0.030 0.000 1.135 180 T CB -0.793 68.059 68.868 -0.026 0.000 0.869 180 T HN 0.389 nan 8.240 nan 0.000 0.466 181 G N 1.112 109.892 108.800 -0.033 0.000 2.421 181 G HA2 0.067 4.023 3.960 -0.006 0.000 0.216 181 G HA3 0.067 4.023 3.960 -0.006 0.000 0.216 181 G C 1.978 176.861 174.900 -0.028 0.000 1.171 181 G CA 0.891 45.969 45.100 -0.037 0.000 0.775 181 G HN 0.763 nan 8.290 nan 0.000 0.543 182 A N 1.145 123.957 122.820 -0.013 0.000 1.902 182 A HA 0.257 4.573 4.320 -0.006 0.000 0.217 182 A C 2.816 180.425 177.584 0.041 0.000 1.181 182 A CA 2.333 54.382 52.037 0.019 0.000 0.623 182 A CB -0.811 18.204 19.000 0.024 0.000 0.818 182 A HN 0.766 nan 8.150 nan 0.000 0.443 183 A N -0.042 122.788 122.820 0.017 0.000 1.858 183 A HA 0.157 4.473 4.320 -0.006 0.000 0.216 183 A C 2.551 180.116 177.584 -0.031 0.000 1.190 183 A CA 2.239 54.281 52.037 0.008 0.000 0.617 183 A CB -1.244 17.733 19.000 -0.038 0.000 0.827 183 A HN 1.169 nan 8.150 nan 0.000 0.443 184 A N -0.522 122.271 122.820 -0.045 0.000 1.986 184 A HA 0.025 4.341 4.320 -0.006 0.000 0.220 184 A C 2.377 179.925 177.584 -0.061 0.000 1.171 184 A CA 2.176 54.182 52.037 -0.052 0.000 0.640 184 A CB -1.425 17.548 19.000 -0.045 0.000 0.811 184 A HN 0.780 nan 8.150 nan 0.000 0.451 185 G N -0.366 108.398 108.800 -0.060 0.000 2.433 185 G HA2 -0.145 3.812 3.960 -0.006 0.000 0.216 185 G HA3 -0.145 3.812 3.960 -0.006 0.000 0.216 185 G C 1.518 176.340 174.900 -0.129 0.000 1.186 185 G CA 1.134 46.181 45.100 -0.090 0.000 0.779 185 G HN 0.503 nan 8.290 nan 0.000 0.543 186 L N 1.102 122.258 121.223 -0.111 0.000 2.093 186 L HA 0.200 4.536 4.340 -0.006 0.000 0.208 186 L C 3.077 179.902 176.870 -0.075 0.000 1.085 186 L CA 1.949 56.704 54.840 -0.142 0.000 0.755 186 L CB -0.371 41.566 42.059 -0.204 0.000 0.904 186 L HN 0.231 nan 8.230 nan 0.000 0.435 187 A N -0.746 122.024 122.820 -0.082 0.000 2.019 187 A HA -0.051 4.265 4.320 -0.006 0.000 0.219 187 A C 2.322 179.800 177.584 -0.175 0.000 1.164 187 A CA 1.527 53.507 52.037 -0.094 0.000 0.644 187 A CB -0.838 18.107 19.000 -0.092 0.000 0.805 187 A HN 0.530 nan 8.150 nan 0.000 0.449 188 A N -0.858 121.849 122.820 -0.188 0.000 2.081 188 A HA 0.476 4.793 4.320 -0.006 0.000 0.214 188 A C 2.212 179.569 177.584 -0.378 0.000 1.158 188 A CA 1.165 53.041 52.037 -0.268 0.000 0.724 188 A CB -0.495 18.460 19.000 -0.076 0.000 0.826 188 A HN 0.885 nan 8.150 nan 0.000 0.463 189 A N -1.855 120.761 122.820 -0.340 0.000 2.119 189 A HA 0.335 4.652 4.320 -0.006 0.000 0.216 189 A C 1.193 178.335 177.584 -0.736 0.000 1.152 189 A CA 0.844 52.577 52.037 -0.506 0.000 0.708 189 A CB -0.405 18.218 19.000 -0.630 0.000 0.805 189 A HN 0.489 nan 8.150 nan 0.000 0.460 190 F N -2.210 117.609 119.950 -0.218 0.000 2.856 190 F HA 0.236 4.759 4.527 -0.007 0.000 0.338 190 F C 0.702 176.322 175.800 -0.302 0.000 1.100 190 F CA -0.225 57.664 58.000 -0.185 0.000 1.150 190 F CB 0.324 39.260 39.000 -0.106 0.000 1.101 190 F HN 0.183 nan 8.300 nan 0.000 0.548 191 N N 2.147 120.602 118.700 -0.407 0.000 2.716 191 N HA -0.237 4.499 4.740 -0.006 0.000 0.250 191 N C -0.567 174.867 175.510 -0.127 0.000 1.033 191 N CA 0.759 53.566 53.050 -0.405 0.000 0.727 191 N CB -0.786 37.521 38.487 -0.300 0.000 0.950 191 N HN 0.358 nan 8.380 nan 0.000 0.541 192 A N 0.213 122.985 122.820 -0.080 0.000 2.842 192 A HA 0.502 4.818 4.320 -0.006 0.000 0.339 192 A C -1.107 176.438 177.584 -0.065 0.000 1.177 192 A CA -0.876 51.134 52.037 -0.046 0.000 0.797 192 A CB 1.071 20.055 19.000 -0.027 0.000 1.094 192 A HN 0.195 nan 8.150 nan 0.000 0.474 193 P HA -0.239 nan 4.420 nan 0.000 0.213 193 P C 1.598 178.809 177.300 -0.147 0.000 1.170 193 P CA 1.205 64.244 63.100 -0.102 0.000 0.902 193 P CB 0.053 31.710 31.700 -0.072 0.000 0.789 194 L N -0.925 120.229 121.223 -0.115 0.000 2.079 194 L HA -0.166 4.170 4.340 -0.006 0.000 0.210 194 L C 2.768 179.580 176.870 -0.097 0.000 1.081 194 L CA 1.677 56.445 54.840 -0.121 0.000 0.752 194 L CB -1.353 40.677 42.059 -0.049 0.000 0.896 194 L HN -0.037 nan 8.230 nan 0.000 0.433 195 A N 0.559 123.335 122.820 -0.074 0.000 1.930 195 A HA -0.081 4.235 4.320 -0.006 0.000 0.217 195 A C 2.444 180.016 177.584 -0.020 0.000 1.175 195 A CA 1.577 53.581 52.037 -0.054 0.000 0.627 195 A CB -1.119 17.825 19.000 -0.093 0.000 0.815 195 A HN 0.431 nan 8.150 nan 0.000 0.443 196 G N 0.252 109.024 108.800 -0.047 0.000 2.418 196 G HA2 -0.188 3.768 3.960 -0.006 0.000 0.217 196 G HA3 -0.188 3.768 3.960 -0.006 0.000 0.217 196 G C 1.488 176.389 174.900 0.001 0.000 1.158 196 G CA 1.236 46.332 45.100 -0.007 0.000 0.771 196 G HN 0.502 nan 8.290 nan 0.000 0.545 197 I N 0.265 120.765 120.570 -0.116 0.000 2.286 197 I HA -0.044 4.123 4.170 -0.006 0.000 0.245 197 I C 2.439 178.523 176.117 -0.055 0.000 1.104 197 I CA 0.370 61.577 61.300 -0.155 0.000 1.397 197 I CB -0.175 37.604 38.000 -0.369 0.000 1.072 197 I HN 0.025 nan 8.210 nan 0.000 0.417 198 L N -0.113 121.098 121.223 -0.021 0.000 2.275 198 L HA -0.182 4.154 4.340 -0.006 0.000 0.215 198 L C 2.440 179.362 176.870 0.087 0.000 1.119 198 L CA 1.758 56.611 54.840 0.022 0.000 0.790 198 L CB -0.998 41.074 42.059 0.021 0.000 0.919 198 L HN 0.275 nan 8.230 nan 0.000 0.443 199 F N 0.476 120.391 119.950 -0.058 0.000 2.206 199 F HA -0.173 4.350 4.527 -0.006 0.000 0.298 199 F C 2.255 178.029 175.800 -0.044 0.000 1.090 199 F CA 1.015 58.993 58.000 -0.037 0.000 1.323 199 F CB -0.138 38.827 39.000 -0.058 0.000 1.028 199 F HN -0.055 nan 8.300 nan 0.000 0.492 200 I N 1.104 121.581 120.570 -0.155 0.000 2.163 200 I HA -0.193 3.973 4.170 -0.006 0.000 0.240 200 I C 1.980 177.978 176.117 -0.198 0.000 1.081 200 I CA 1.407 62.557 61.300 -0.250 0.000 1.353 200 I CB -0.749 37.168 38.000 -0.138 0.000 1.054 200 I HN 0.248 nan 8.210 nan 0.000 0.407 201 I N -2.314 118.189 120.570 -0.113 0.000 3.780 201 I HA 0.168 4.335 4.170 -0.006 0.000 0.312 201 I C 1.153 177.220 176.117 -0.083 0.000 1.377 201 I CA 0.715 61.961 61.300 -0.089 0.000 1.224 201 I CB -0.338 37.636 38.000 -0.043 0.000 1.110 201 I HN 0.302 nan 8.210 nan 0.000 0.418 202 E N 0.470 120.604 120.200 -0.110 0.000 2.624 202 E HA -0.057 4.289 4.350 -0.006 0.000 0.192 202 E C 1.137 177.662 176.600 -0.124 0.000 0.961 202 E CA 0.317 56.664 56.400 -0.089 0.000 1.632 202 E CB 0.508 30.191 29.700 -0.029 0.000 2.082 202 E HN 0.497 nan 8.360 nan 0.000 1.040 203 E N -0.517 119.559 120.200 -0.205 0.000 2.564 203 E HA 0.163 4.509 4.350 -0.006 0.000 0.203 203 E C 1.715 178.096 176.600 -0.365 0.000 0.867 203 E CA 0.362 56.615 56.400 -0.244 0.000 1.250 203 E CB 0.205 29.817 29.700 -0.148 0.000 1.215 203 E HN 0.008 nan 8.360 nan 0.000 0.566 204 M N 1.591 120.853 119.600 -0.564 0.000 2.156 204 M HA 0.060 4.536 4.480 -0.006 0.000 0.264 204 M C 0.740 176.875 176.300 -0.274 0.000 1.067 204 M CA 0.904 55.925 55.300 -0.464 0.000 1.131 204 M CB -1.065 31.216 32.600 -0.532 0.000 1.368 204 M HN 0.065 nan 8.290 nan 0.000 0.416 205 R N 1.547 121.893 120.500 -0.258 0.000 2.698 205 R HA 0.105 4.442 4.340 -0.006 0.000 0.266 205 R C -2.516 173.659 176.300 -0.210 0.000 1.026 205 R CA -1.122 54.844 56.100 -0.223 0.000 1.102 205 R CB -1.314 28.860 30.300 -0.209 0.000 0.978 205 R HN 0.002 nan 8.270 nan 0.000 0.436 206 P HA -0.060 nan 4.420 nan 0.000 0.260 206 P C -0.515 176.661 177.300 -0.207 0.000 1.185 206 P CA 0.269 63.279 63.100 -0.150 0.000 0.763 206 P CB 0.759 32.371 31.700 -0.147 0.000 0.776 207 Q N 2.061 121.651 119.800 -0.350 0.000 2.360 207 Q HA 0.157 4.493 4.340 -0.006 0.000 0.202 207 Q C 0.200 175.673 176.000 -0.879 0.000 0.915 207 Q CA 1.118 56.496 55.803 -0.708 0.000 0.943 207 Q CB -0.115 28.032 28.738 -0.985 0.000 1.064 207 Q HN 0.463 nan 8.270 nan 0.000 0.511 208 F N -1.337 118.600 119.950 -0.022 0.000 2.834 208 F HA 0.305 4.828 4.527 -0.006 0.000 0.332 208 F C 0.457 176.263 175.800 0.009 0.000 1.056 208 F CA -0.624 57.373 58.000 -0.004 0.000 1.178 208 F CB 0.522 39.520 39.000 -0.003 0.000 1.037 208 F HN -0.144 nan 8.300 nan 0.000 0.580 209 R N -1.033 119.549 120.500 0.137 0.000 2.837 209 R HA 0.429 4.765 4.340 -0.006 0.000 0.271 209 R C -1.253 175.096 176.300 0.081 0.000 0.993 209 R CA -0.890 55.279 56.100 0.115 0.000 0.931 209 R CB 0.915 31.282 30.300 0.111 0.000 1.206 209 R HN -0.025 nan 8.270 nan 0.000 0.474 210 Y N 1.285 121.585 120.300 0.000 0.000 2.578 210 Y HA 0.199 4.745 4.550 -0.006 0.000 0.339 210 Y C -0.839 175.045 175.900 -0.027 0.000 1.231 210 Y CA 1.017 59.108 58.100 -0.014 0.000 1.461 210 Y CB 1.014 39.475 38.460 0.001 0.000 1.323 210 Y HN 0.720 nan 8.280 nan 0.000 0.590 211 T N 6.640 120.694 114.554 -0.833 0.000 2.909 211 T HA 0.318 4.664 4.350 -0.006 0.000 0.299 211 T C -0.306 173.918 174.700 -0.793 0.000 1.073 211 T CA -0.822 60.898 62.100 -0.632 0.000 0.999 211 T CB 1.338 69.922 68.868 -0.473 0.000 1.098 211 T HN 0.483 nan 8.240 nan 0.000 0.477 212 L N 1.752 122.777 121.223 -0.330 0.000 2.862 212 L HA 0.336 4.672 4.340 -0.006 0.000 0.240 212 L C 0.007 176.831 176.870 -0.076 0.000 1.283 212 L CA 0.235 54.986 54.840 -0.149 0.000 1.117 212 L CB -1.123 40.959 42.059 0.039 0.000 1.444 212 L HN 0.541 nan 8.230 nan 0.000 0.456 213 I N -1.000 119.483 120.570 -0.144 0.000 2.452 213 I HA 0.058 4.224 4.170 -0.006 0.000 0.287 213 I C 0.962 177.057 176.117 -0.036 0.000 1.079 213 I CA 0.108 61.366 61.300 -0.071 0.000 1.387 213 I CB 0.767 38.704 38.000 -0.105 0.000 1.404 213 I HN 0.085 nan 8.210 nan 0.000 0.522 214 S N 6.346 122.047 115.700 0.001 0.000 2.405 214 S HA 0.318 4.784 4.470 -0.006 0.000 0.291 214 S C 1.189 175.813 174.600 0.040 0.000 1.137 214 S CA -0.544 57.669 58.200 0.023 0.000 1.061 214 S CB 0.117 63.334 63.200 0.029 0.000 1.001 214 S HN 0.557 nan 8.310 nan 0.000 0.507 215 I N 4.884 125.485 120.570 0.053 0.000 2.286 215 I HA -0.157 4.009 4.170 -0.006 0.000 0.248 215 I C 2.524 178.753 176.117 0.186 0.000 1.115 215 I CA 1.109 62.473 61.300 0.106 0.000 1.392 215 I CB -0.160 37.905 38.000 0.109 0.000 1.065 215 I HN 0.645 nan 8.210 nan 0.000 0.418 216 K N 1.310 121.775 120.400 0.108 0.000 2.103 216 K HA -0.212 4.104 4.320 -0.006 0.000 0.207 216 K C 2.148 178.820 176.600 0.120 0.000 1.048 216 K CA 1.587 57.923 56.287 0.081 0.000 0.930 216 K CB -0.085 32.421 32.500 0.010 0.000 0.716 216 K HN 0.326 nan 8.250 nan 0.000 0.444 217 A N 0.509 123.380 122.820 0.085 0.000 1.929 217 A HA -0.048 4.269 4.320 -0.006 0.000 0.216 217 A C 2.191 179.816 177.584 0.068 0.000 1.176 217 A CA 1.184 53.259 52.037 0.063 0.000 0.628 217 A CB -0.465 18.556 19.000 0.035 0.000 0.816 217 A HN 0.152 nan 8.150 nan 0.000 0.444 218 V N -0.983 118.975 119.914 0.073 0.000 2.282 218 V HA -0.307 3.809 4.120 -0.006 0.000 0.249 218 V C 2.254 178.370 176.094 0.036 0.000 1.057 218 V CA 2.329 64.649 62.300 0.033 0.000 1.032 218 V CB -1.041 30.788 31.823 0.009 0.000 0.645 218 V HN 0.558 nan 8.190 nan 0.000 0.447 219 F N 0.026 119.967 119.950 -0.015 0.000 2.027 219 F HA -0.260 4.264 4.527 -0.006 0.000 0.297 219 F C 2.246 178.037 175.800 -0.016 0.000 1.129 219 F CA 2.392 60.385 58.000 -0.012 0.000 1.195 219 F CB -0.470 38.524 39.000 -0.010 0.000 0.960 219 F HN 0.045 nan 8.300 nan 0.000 0.485 220 I N -0.367 120.321 120.570 0.196 0.000 2.145 220 I HA -0.345 3.821 4.170 -0.006 0.000 0.244 220 I C 2.737 178.872 176.117 0.030 0.000 1.075 220 I CA 1.576 62.930 61.300 0.091 0.000 1.332 220 I CB -1.455 36.572 38.000 0.045 0.000 1.033 220 I HN 0.281 nan 8.210 nan 0.000 0.410 221 G N 0.708 109.512 108.800 0.006 0.000 2.459 221 G HA2 -0.217 3.740 3.960 -0.006 0.000 0.217 221 G HA3 -0.217 3.740 3.960 -0.006 0.000 0.217 221 G C 1.713 176.594 174.900 -0.031 0.000 1.183 221 G CA 1.135 46.218 45.100 -0.027 0.000 0.776 221 G HN 0.263 nan 8.290 nan 0.000 0.552 222 V N 1.180 121.064 119.914 -0.050 0.000 2.332 222 V HA -0.191 3.925 4.120 -0.006 0.000 0.248 222 V C 2.811 178.880 176.094 -0.041 0.000 1.055 222 V CA 1.694 63.945 62.300 -0.081 0.000 1.038 222 V CB -0.410 31.300 31.823 -0.188 0.000 0.651 222 V HN 0.413 nan 8.190 nan 0.000 0.450 223 I N -0.916 119.654 120.570 0.001 0.000 2.099 223 I HA -0.284 3.882 4.170 -0.006 0.000 0.239 223 I C 2.616 178.749 176.117 0.026 0.000 1.066 223 I CA 1.551 62.872 61.300 0.035 0.000 1.324 223 I CB -0.451 37.597 38.000 0.079 0.000 1.037 223 I HN 0.239 nan 8.210 nan 0.000 0.401 224 M N 0.671 120.280 119.600 0.014 0.000 2.106 224 M HA -0.201 4.276 4.480 -0.006 0.000 0.259 224 M C 2.690 179.006 176.300 0.027 0.000 1.068 224 M CA 2.322 57.628 55.300 0.010 0.000 1.100 224 M CB -1.722 30.867 32.600 -0.019 0.000 1.351 224 M HN 0.459 nan 8.290 nan 0.000 0.404 225 S N -0.840 114.870 115.700 0.018 0.000 2.383 225 S HA -0.107 4.359 4.470 -0.006 0.000 0.227 225 S C 1.940 176.586 174.600 0.077 0.000 1.026 225 S CA 1.760 59.982 58.200 0.036 0.000 0.981 225 S CB -0.839 62.361 63.200 0.001 0.000 0.818 225 S HN 0.465 nan 8.310 nan 0.000 0.472 226 T N 2.811 117.395 114.554 0.050 0.000 2.746 226 T HA 0.097 4.444 4.350 -0.006 0.000 0.267 226 T C 1.734 176.514 174.700 0.133 0.000 1.039 226 T CA 1.577 63.723 62.100 0.077 0.000 1.142 226 T CB -0.492 68.394 68.868 0.030 0.000 0.866 226 T HN 0.421 nan 8.240 nan 0.000 0.444 227 I N 0.764 121.388 120.570 0.090 0.000 2.179 227 I HA -0.188 3.979 4.170 -0.006 0.000 0.242 227 I C 2.520 178.697 176.117 0.100 0.000 1.088 227 I CA 1.009 62.357 61.300 0.080 0.000 1.357 227 I CB -0.362 37.667 38.000 0.049 0.000 1.051 227 I HN 0.195 nan 8.210 nan 0.000 0.409 228 M N -0.302 119.371 119.600 0.122 0.000 2.108 228 M HA -0.259 4.217 4.480 -0.006 0.000 0.261 228 M C 2.463 178.918 176.300 0.258 0.000 1.066 228 M CA 1.913 57.320 55.300 0.179 0.000 1.107 228 M CB -1.452 31.244 32.600 0.159 0.000 1.356 228 M HN 0.282 nan 8.290 nan 0.000 0.406 229 Y N 1.165 121.530 120.300 0.109 0.000 2.242 229 Y HA -0.149 4.397 4.550 -0.007 0.000 0.291 229 Y C 2.290 178.238 175.900 0.080 0.000 1.137 229 Y CA 1.624 59.785 58.100 0.102 0.000 1.181 229 Y CB -0.018 38.470 38.460 0.046 0.000 0.989 229 Y HN 0.096 nan 8.280 nan 0.000 0.527 230 R N 0.016 120.597 120.500 0.135 0.000 2.236 230 R HA -0.051 4.285 4.340 -0.006 0.000 0.208 230 R C 1.959 178.221 176.300 -0.063 0.000 1.036 230 R CA 0.808 56.925 56.100 0.029 0.000 1.001 230 R CB -0.290 30.075 30.300 0.108 0.000 0.896 230 R HN 0.431 nan 8.270 nan 0.000 0.464 231 I N -0.178 120.334 120.570 -0.096 0.000 2.315 231 I HA -0.194 3.972 4.170 -0.006 0.000 0.248 231 I C 1.297 177.099 176.117 -0.525 0.000 1.117 231 I CA 1.558 62.679 61.300 -0.298 0.000 1.404 231 I CB -0.493 37.219 38.000 -0.481 0.000 1.071 231 I HN 0.009 nan 8.210 nan 0.000 0.419 232 F N -0.076 119.721 119.950 -0.254 0.000 2.682 232 F HA 0.253 4.776 4.527 -0.007 0.000 0.308 232 F C 0.981 176.406 175.800 -0.624 0.000 1.093 232 F CA -0.037 57.738 58.000 -0.375 0.000 1.244 232 F CB 0.115 38.981 39.000 -0.224 0.000 1.052 232 F HN 0.010 nan 8.300 nan 0.000 0.573 233 N N 0.030 118.366 118.700 -0.608 0.000 2.536 233 N HA 0.046 4.782 4.740 -0.006 0.000 0.286 233 N C -0.774 174.503 175.510 -0.388 0.000 1.577 233 N CA -0.128 52.562 53.050 -0.599 0.000 0.883 233 N CB 0.123 38.039 38.487 -0.952 0.000 1.390 233 N HN 0.286 nan 8.380 nan 0.000 0.491 234 H N 0.085 119.093 119.070 -0.103 0.000 2.815 234 H HA 0.211 4.763 4.556 -0.007 0.000 0.350 234 H C 0.495 175.806 175.328 -0.028 0.000 1.080 234 H CA 0.105 56.120 56.048 -0.055 0.000 1.433 234 H CB 0.373 30.097 29.762 -0.063 0.000 1.432 234 H HN 0.108 nan 8.280 nan 0.000 0.592 235 E N -0.583 119.700 120.200 0.137 0.000 3.170 235 E HA -0.155 4.191 4.350 -0.006 0.000 0.284 235 E C -1.105 175.535 176.600 0.066 0.000 0.967 235 E CA 0.873 57.328 56.400 0.092 0.000 0.919 235 E CB -1.075 28.680 29.700 0.091 0.000 1.469 235 E HN 0.394 nan 8.360 nan 0.000 0.444 236 V N 0.419 120.364 119.914 0.050 0.000 2.509 236 V HA 0.564 4.680 4.120 -0.006 0.000 0.289 236 V C 0.186 176.307 176.094 0.045 0.000 1.026 236 V CA -0.116 62.207 62.300 0.039 0.000 0.872 236 V CB 1.597 33.437 31.823 0.029 0.000 1.017 236 V HN 0.300 nan 8.190 nan 0.000 0.436 237 A N 4.163 127.006 122.820 0.039 0.000 2.386 237 A HA 0.629 4.946 4.320 -0.006 0.000 0.248 237 A C 1.043 178.627 177.584 -0.001 0.000 1.082 237 A CA -0.160 51.895 52.037 0.031 0.000 0.789 237 A CB 0.446 19.455 19.000 0.014 0.000 1.025 237 A HN 0.875 nan 8.150 nan 0.000 0.490 238 L N 0.515 121.708 121.223 -0.051 0.000 2.109 238 L HA 0.061 4.397 4.340 -0.006 0.000 0.207 238 L C 0.029 176.774 176.870 -0.209 0.000 1.086 238 L CA 1.178 55.909 54.840 -0.181 0.000 0.760 238 L CB -0.176 41.644 42.059 -0.399 0.000 0.910 238 L HN 0.592 nan 8.230 nan 0.000 0.437 239 I N -0.677 119.803 120.570 -0.150 0.000 2.497 239 I HA 0.178 4.344 4.170 -0.006 0.000 0.284 239 I C -1.101 174.999 176.117 -0.029 0.000 1.060 239 I CA -0.368 60.882 61.300 -0.084 0.000 1.071 239 I CB 1.838 39.781 38.000 -0.094 0.000 1.216 239 I HN -0.178 nan 8.210 nan 0.000 0.442 240 D N 6.151 126.549 120.400 -0.003 0.000 2.460 240 D HA 0.325 4.961 4.640 -0.006 0.000 0.232 240 D C 0.334 176.644 176.300 0.017 0.000 1.079 240 D CA -0.166 53.839 54.000 0.008 0.000 0.864 240 D CB 1.965 42.772 40.800 0.013 0.000 1.048 240 D HN 0.240 nan 8.370 nan 0.000 0.523 241 V N 2.261 122.185 119.914 0.017 0.000 3.621 241 V HA 0.325 4.441 4.120 -0.006 0.000 0.263 241 V C 1.239 177.346 176.094 0.021 0.000 1.272 241 V CA 0.456 62.770 62.300 0.024 0.000 1.080 241 V CB -0.436 31.404 31.823 0.029 0.000 0.816 241 V HN 0.836 nan 8.190 nan 0.000 0.451 242 G N 1.539 110.350 108.800 0.017 0.000 2.819 242 G HA2 -0.251 3.705 3.960 -0.006 0.000 0.682 242 G HA3 -0.251 3.705 3.960 -0.006 0.000 0.682 242 G C -0.393 174.517 174.900 0.017 0.000 1.481 242 G CA -0.138 44.972 45.100 0.017 0.000 0.904 242 G HN 0.462 nan 8.290 nan 0.000 0.563 243 K N 1.016 121.426 120.400 0.017 0.000 2.395 243 K HA 0.311 4.627 4.320 -0.006 0.000 0.283 243 K C 1.237 177.847 176.600 0.017 0.000 1.068 243 K CA -0.129 56.168 56.287 0.016 0.000 1.039 243 K CB -0.051 32.459 32.500 0.016 0.000 0.924 243 K HN 0.447 nan 8.250 nan 0.000 0.468 244 L N 2.650 123.881 121.223 0.015 0.000 2.482 244 L HA 0.172 4.508 4.340 -0.006 0.000 0.242 244 L C 0.801 177.680 176.870 0.016 0.000 1.210 244 L CA 0.070 54.921 54.840 0.019 0.000 0.819 244 L CB 0.700 42.768 42.059 0.015 0.000 1.203 244 L HN 0.939 nan 8.230 nan 0.000 0.495 245 S N -0.486 115.230 115.700 0.027 0.000 2.606 245 S HA 0.128 4.595 4.470 -0.006 0.000 0.257 245 S C -0.292 174.310 174.600 0.004 0.000 1.327 245 S CA -0.831 57.386 58.200 0.027 0.000 0.984 245 S CB 0.760 63.992 63.200 0.054 0.000 0.941 245 S HN 0.453 nan 8.310 nan 0.000 0.576 246 D N 0.368 120.769 120.400 0.003 0.000 2.411 246 D HA 0.610 5.246 4.640 -0.006 0.000 0.251 246 D C -0.365 175.921 176.300 -0.023 0.000 1.201 246 D CA -0.115 53.872 54.000 -0.022 0.000 0.996 246 D CB 0.706 41.497 40.800 -0.015 0.000 1.101 246 D HN 0.824 nan 8.370 nan 0.000 0.504 247 A N 1.023 123.810 122.820 -0.056 0.000 2.323 247 A HA 0.571 4.887 4.320 -0.006 0.000 0.305 247 A C -2.431 175.137 177.584 -0.027 0.000 1.275 247 A CA -1.193 50.816 52.037 -0.046 0.000 0.804 247 A CB 0.365 19.278 19.000 -0.145 0.000 1.152 247 A HN 0.272 nan 8.150 nan 0.000 0.487 248 P HA 0.284 nan 4.420 nan 0.000 0.274 248 P C 0.967 178.267 177.300 -0.001 0.000 1.231 248 P CA -0.535 62.569 63.100 0.006 0.000 0.790 248 P CB 0.690 32.409 31.700 0.032 0.000 0.951 249 L N 1.127 122.353 121.223 0.004 0.000 2.079 249 L HA -0.214 4.122 4.340 -0.006 0.000 0.210 249 L C 1.935 178.822 176.870 0.028 0.000 1.081 249 L CA 1.634 56.482 54.840 0.013 0.000 0.752 249 L CB -0.765 41.302 42.059 0.014 0.000 0.896 249 L HN 0.531 nan 8.230 nan 0.000 0.433 250 N N -1.682 117.024 118.700 0.010 0.000 2.521 250 N HA -0.103 4.634 4.740 -0.006 0.000 0.188 250 N C 1.223 176.667 175.510 -0.109 0.000 1.146 250 N CA 1.071 54.123 53.050 0.003 0.000 0.893 250 N CB -0.322 38.193 38.487 0.047 0.000 0.975 250 N HN 0.149 nan 8.380 nan 0.000 0.451 251 T N 0.647 115.107 114.554 -0.156 0.000 3.037 251 T HA 0.277 4.623 4.350 -0.006 0.000 0.252 251 T C 1.835 176.458 174.700 -0.128 0.000 1.073 251 T CA -0.258 61.653 62.100 -0.315 0.000 1.091 251 T CB 0.181 68.938 68.868 -0.186 0.000 0.935 251 T HN 0.071 nan 8.240 nan 0.000 0.488 252 L N 1.516 122.802 121.223 0.105 0.000 2.021 252 L HA -0.171 4.166 4.340 -0.006 0.000 0.215 252 L C 2.850 179.831 176.870 0.184 0.000 1.074 252 L CA 1.802 56.774 54.840 0.220 0.000 0.760 252 L CB -0.740 41.401 42.059 0.138 0.000 0.889 252 L HN 0.570 nan 8.230 nan 0.000 0.433 253 W N 0.567 121.873 121.300 0.009 0.000 2.321 253 W HA -0.229 4.428 4.660 -0.006 0.000 0.285 253 W C 1.733 178.271 176.519 0.032 0.000 1.213 253 W CA 0.876 58.228 57.345 0.012 0.000 1.205 253 W CB -1.324 28.124 29.460 -0.020 0.000 1.134 253 W HN 0.206 nan 8.180 nan 0.000 0.549 254 L N -0.260 120.454 121.223 -0.849 0.000 2.201 254 L HA -0.197 4.140 4.340 -0.006 0.000 0.212 254 L C 2.557 179.281 176.870 -0.243 0.000 1.105 254 L CA 1.405 55.816 54.840 -0.716 0.000 0.775 254 L CB -0.887 40.730 42.059 -0.738 0.000 0.913 254 L HN -0.132 nan 8.230 nan 0.000 0.440 255 Y N -1.209 119.067 120.300 -0.040 0.000 2.337 255 Y HA -0.177 4.370 4.550 -0.006 0.000 0.293 255 Y C 2.241 178.094 175.900 -0.079 0.000 1.123 255 Y CA 0.434 58.502 58.100 -0.052 0.000 1.201 255 Y CB -0.106 38.286 38.460 -0.113 0.000 1.011 255 Y HN 0.061 nan 8.280 nan 0.000 0.545 256 L N 0.376 121.658 121.223 0.098 0.000 2.046 256 L HA -0.175 4.161 4.340 -0.006 0.000 0.208 256 L C 1.967 178.856 176.870 0.031 0.000 1.077 256 L CA 1.673 56.558 54.840 0.076 0.000 0.747 256 L CB -0.631 41.502 42.059 0.124 0.000 0.896 256 L HN 0.207 nan 8.230 nan 0.000 0.432 257 I N -1.062 119.506 120.570 -0.003 0.000 2.286 257 I HA -0.277 3.890 4.170 -0.006 0.000 0.248 257 I C 2.362 178.342 176.117 -0.228 0.000 1.115 257 I CA 1.112 62.388 61.300 -0.041 0.000 1.392 257 I CB -0.405 37.613 38.000 0.030 0.000 1.065 257 I HN 0.335 nan 8.210 nan 0.000 0.418 258 L N 1.240 122.192 121.223 -0.451 0.000 2.083 258 L HA -0.076 4.260 4.340 -0.006 0.000 0.209 258 L C 2.334 179.155 176.870 -0.083 0.000 1.083 258 L CA 2.108 56.609 54.840 -0.565 0.000 0.752 258 L CB -1.141 40.597 42.059 -0.533 0.000 0.899 258 L HN 0.176 nan 8.230 nan 0.000 0.433 259 G N -0.096 108.697 108.800 -0.013 0.000 2.480 259 G HA2 -0.292 3.664 3.960 -0.006 0.000 0.216 259 G HA3 -0.292 3.664 3.960 -0.006 0.000 0.216 259 G C 1.631 176.578 174.900 0.078 0.000 1.200 259 G CA 1.266 46.400 45.100 0.057 0.000 0.782 259 G HN 0.468 nan 8.290 nan 0.000 0.554 260 I N 0.730 121.325 120.570 0.042 0.000 2.194 260 I HA -0.232 3.935 4.170 -0.006 0.000 0.246 260 I C 2.695 178.837 176.117 0.042 0.000 1.093 260 I CA 0.982 62.315 61.300 0.055 0.000 1.355 260 I CB -0.233 37.802 38.000 0.058 0.000 1.046 260 I HN 0.183 nan 8.210 nan 0.000 0.413 261 I N -0.305 120.252 120.570 -0.021 0.000 2.179 261 I HA -0.306 3.861 4.170 -0.006 0.000 0.242 261 I C 2.330 178.407 176.117 -0.067 0.000 1.088 261 I CA 1.701 62.948 61.300 -0.089 0.000 1.357 261 I CB -0.408 37.454 38.000 -0.230 0.000 1.051 261 I HN 0.059 nan 8.210 nan 0.000 0.409 262 F N 0.905 120.829 119.950 -0.043 0.000 2.216 262 F HA -0.125 4.398 4.527 -0.007 0.000 0.300 262 F C 2.489 178.326 175.800 0.062 0.000 1.085 262 F CA 1.379 59.396 58.000 0.028 0.000 1.326 262 F CB -0.702 38.284 39.000 -0.023 0.000 1.027 262 F HN 0.040 nan 8.300 nan 0.000 0.497 263 G N 0.605 109.522 108.800 0.194 0.000 2.408 263 G HA2 -0.239 3.717 3.960 -0.006 0.000 0.217 263 G HA3 -0.239 3.717 3.960 -0.006 0.000 0.217 263 G C 1.613 176.567 174.900 0.090 0.000 1.150 263 G CA 1.094 46.261 45.100 0.111 0.000 0.776 263 G HN 0.545 nan 8.290 nan 0.000 0.542 264 I N -3.463 117.165 120.570 0.097 0.000 2.761 264 I HA 0.302 4.468 4.170 -0.006 0.000 0.261 264 I C 2.266 178.429 176.117 0.078 0.000 1.198 264 I CA 0.626 61.972 61.300 0.076 0.000 1.482 264 I CB -0.111 37.932 38.000 0.072 0.000 1.100 264 I HN 0.020 nan 8.210 nan 0.000 0.445 265 F N 2.326 122.247 119.950 -0.049 0.000 2.416 265 F HA 0.337 4.861 4.527 -0.005 0.000 0.296 265 F C 2.245 178.015 175.800 -0.050 0.000 1.099 265 F CA 0.763 58.714 58.000 -0.081 0.000 1.427 265 F CB -0.404 38.532 39.000 -0.107 0.000 1.079 265 F HN 0.074 nan 8.300 nan 0.000 0.536 266 G N 1.285 110.097 108.800 0.019 0.000 2.459 266 G HA2 -0.237 3.719 3.960 -0.006 0.000 0.217 266 G HA3 -0.237 3.719 3.960 -0.006 0.000 0.217 266 G C -0.729 174.095 174.900 -0.125 0.000 1.183 266 G CA 1.015 46.096 45.100 -0.031 0.000 0.776 266 G HN 0.289 nan 8.290 nan 0.000 0.552 267 P HA 0.041 nan 4.420 nan 0.000 0.219 267 P C 1.863 179.001 177.300 -0.269 0.000 1.150 267 P CA 0.593 63.606 63.100 -0.144 0.000 0.814 267 P CB -0.027 31.621 31.700 -0.088 0.000 0.787 268 I N -2.150 118.171 120.570 -0.415 0.000 2.315 268 I HA -0.212 3.954 4.170 -0.006 0.000 0.248 268 I C 2.153 177.604 176.117 -1.110 0.000 1.117 268 I CA 1.265 62.134 61.300 -0.719 0.000 1.404 268 I CB -0.560 36.997 38.000 -0.739 0.000 1.071 268 I HN -0.131 nan 8.210 nan 0.000 0.419 269 F N 1.850 121.135 119.950 -1.109 0.000 2.234 269 F HA -0.129 4.394 4.527 -0.006 0.000 0.299 269 F C 2.080 177.660 175.800 -0.366 0.000 1.087 269 F CA 1.549 59.054 58.000 -0.826 0.000 1.340 269 F CB -0.488 38.075 39.000 -0.728 0.000 1.031 269 F HN 0.064 nan 8.300 nan 0.000 0.500 270 N N -0.065 118.465 118.700 -0.283 0.000 2.216 270 N HA -0.160 4.576 4.740 -0.006 0.000 0.183 270 N C 1.670 177.078 175.510 -0.170 0.000 1.017 270 N CA 0.912 53.850 53.050 -0.187 0.000 0.861 270 N CB -0.051 38.382 38.487 -0.089 0.000 0.986 270 N HN 0.275 nan 8.380 nan 0.000 0.428 271 K N 0.037 120.318 120.400 -0.199 0.000 2.097 271 K HA -0.130 4.186 4.320 -0.006 0.000 0.206 271 K C 1.564 178.199 176.600 0.059 0.000 1.049 271 K CA 1.012 57.250 56.287 -0.080 0.000 0.933 271 K CB -0.019 32.429 32.500 -0.086 0.000 0.717 271 K HN 0.290 nan 8.250 nan 0.000 0.442 272 W N -0.037 121.138 121.300 -0.207 0.000 2.409 272 W HA -0.052 4.603 4.660 -0.007 0.000 0.299 272 W C 2.100 178.471 176.519 -0.246 0.000 1.203 272 W CA 0.032 57.243 57.345 -0.223 0.000 1.298 272 W CB -1.140 28.159 29.460 -0.269 0.000 1.127 272 W HN -0.102 nan 8.180 nan 0.000 0.528 273 V N 0.633 120.468 119.914 -0.131 0.000 2.548 273 V HA -0.181 3.935 4.120 -0.006 0.000 0.249 273 V C 1.918 178.027 176.094 0.025 0.000 1.055 273 V CA 1.488 63.734 62.300 -0.090 0.000 1.065 273 V CB -0.267 31.452 31.823 -0.175 0.000 0.681 273 V HN 0.041 nan 8.190 nan 0.000 0.462 274 L N 0.196 121.425 121.223 0.010 0.000 2.049 274 L HA 0.120 4.456 4.340 -0.006 0.000 0.203 274 L C 2.750 179.634 176.870 0.022 0.000 1.074 274 L CA 1.525 56.380 54.840 0.025 0.000 0.749 274 L CB -1.336 40.732 42.059 0.014 0.000 0.907 274 L HN 0.426 nan 8.230 nan 0.000 0.439 275 G N -0.068 108.752 108.800 0.032 0.000 2.440 275 G HA2 -0.353 3.603 3.960 -0.006 0.000 0.218 275 G HA3 -0.353 3.603 3.960 -0.006 0.000 0.218 275 G C 1.564 176.469 174.900 0.009 0.000 1.154 275 G CA 1.028 46.145 45.100 0.028 0.000 0.767 275 G HN 0.180 nan 8.290 nan 0.000 0.552 276 M N 0.285 119.892 119.600 0.013 0.000 2.374 276 M HA 0.067 4.543 4.480 -0.006 0.000 0.264 276 M C 2.498 178.805 176.300 0.011 0.000 1.067 276 M CA 1.194 56.493 55.300 -0.001 0.000 1.103 276 M CB -0.214 32.388 32.600 0.003 0.000 1.402 276 M HN 0.312 nan 8.290 nan 0.000 0.444 277 Q N -0.229 119.586 119.800 0.026 0.000 2.050 277 Q HA -0.187 4.149 4.340 -0.006 0.000 0.202 277 Q C 1.496 177.503 176.000 0.011 0.000 0.980 277 Q CA 1.692 57.515 55.803 0.035 0.000 0.840 277 Q CB -0.113 28.643 28.738 0.030 0.000 0.898 277 Q HN 0.532 nan 8.270 nan 0.000 0.424 278 D N 0.577 120.970 120.400 -0.012 0.000 2.097 278 D HA -0.140 4.497 4.640 -0.006 0.000 0.197 278 D C 1.882 178.163 176.300 -0.032 0.000 0.984 278 D CA 0.677 54.663 54.000 -0.023 0.000 0.826 278 D CB -0.204 40.580 40.800 -0.027 0.000 0.973 278 D HN 0.164 nan 8.370 nan 0.000 0.460 279 L N 0.333 121.528 121.223 -0.045 0.000 2.083 279 L HA -0.107 4.229 4.340 -0.006 0.000 0.209 279 L C 2.145 178.940 176.870 -0.126 0.000 1.083 279 L CA 0.946 55.742 54.840 -0.073 0.000 0.752 279 L CB -0.013 42.010 42.059 -0.061 0.000 0.899 279 L HN -0.018 nan 8.230 nan 0.000 0.433 280 L N -1.618 119.526 121.223 -0.131 0.000 2.418 280 L HA -0.132 4.204 4.340 -0.006 0.000 0.218 280 L C 2.205 178.736 176.870 -0.565 0.000 1.125 280 L CA 0.334 55.035 54.840 -0.233 0.000 0.835 280 L CB -0.431 41.567 42.059 -0.102 0.000 0.953 280 L HN 0.315 nan 8.230 nan 0.000 0.454 281 H N 0.322 119.080 119.070 -0.520 0.000 2.495 281 H HA -0.049 4.503 4.556 -0.007 0.000 0.287 281 H C 2.298 177.234 175.328 -0.652 0.000 1.033 281 H CA 1.302 56.939 56.048 -0.685 0.000 1.307 281 H CB 0.258 29.867 29.762 -0.254 0.000 1.401 281 H HN 0.109 nan 8.280 nan 0.000 0.555 282 R N -0.793 119.477 120.500 -0.382 0.000 2.090 282 R HA -0.047 4.289 4.340 -0.006 0.000 0.228 282 R C 2.225 178.308 176.300 -0.362 0.000 1.110 282 R CA 1.205 57.130 56.100 -0.292 0.000 0.973 282 R CB -0.035 30.168 30.300 -0.162 0.000 0.869 282 R HN 0.163 nan 8.270 nan 0.000 0.440 283 V N 1.085 120.738 119.914 -0.434 0.000 2.490 283 V HA -0.242 3.875 4.120 -0.006 0.000 0.250 283 V C 1.779 177.693 176.094 -0.301 0.000 1.061 283 V CA 2.251 64.359 62.300 -0.321 0.000 1.064 283 V CB -0.738 30.929 31.823 -0.260 0.000 0.670 283 V HN 0.555 nan 8.190 nan 0.000 0.461 284 H N -1.475 117.398 119.070 -0.328 0.000 2.855 284 H HA 0.469 5.021 4.556 -0.007 0.000 0.259 284 H C 1.651 176.808 175.328 -0.285 0.000 0.972 284 H CA 0.228 56.092 56.048 -0.307 0.000 1.213 284 H CB -0.272 29.243 29.762 -0.411 0.000 1.451 284 H HN 0.291 nan 8.280 nan 0.000 0.484 285 G N 0.613 109.179 108.800 -0.389 0.000 2.225 285 G HA2 -0.136 3.820 3.960 -0.006 0.000 0.267 285 G HA3 -0.136 3.820 3.960 -0.006 0.000 0.267 285 G C 1.269 176.068 174.900 -0.169 0.000 1.024 285 G CA 0.776 45.711 45.100 -0.275 0.000 0.784 285 G HN 1.509 nan 8.290 nan 0.000 0.507 286 G N -1.344 107.382 108.800 -0.123 0.000 2.160 286 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.251 286 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.251 286 G C 0.131 175.174 174.900 0.238 0.000 1.008 286 G CA 0.885 46.083 45.100 0.164 0.000 0.724 286 G HN 1.767 nan 8.290 nan 0.000 0.514 287 N N -0.109 118.706 118.700 0.193 0.000 2.455 287 N HA 0.486 5.223 4.740 -0.006 0.000 0.280 287 N C 1.497 177.130 175.510 0.205 0.000 1.055 287 N CA -0.157 52.986 53.050 0.155 0.000 0.961 287 N CB 0.821 39.365 38.487 0.094 0.000 1.121 287 N HN 0.191 nan 8.380 nan 0.000 0.476 288 I N 2.399 123.056 120.570 0.145 0.000 2.208 288 I HA -0.295 3.871 4.170 -0.006 0.000 0.245 288 I C 1.173 177.383 176.117 0.156 0.000 1.097 288 I CA 1.488 62.866 61.300 0.130 0.000 1.363 288 I CB 0.015 38.063 38.000 0.080 0.000 1.051 288 I HN 0.604 nan 8.210 nan 0.000 0.413 289 T N 0.503 115.128 114.554 0.118 0.000 2.770 289 T HA -0.130 4.216 4.350 -0.006 0.000 0.263 289 T C 1.825 176.579 174.700 0.091 0.000 1.039 289 T CA 1.319 63.473 62.100 0.090 0.000 1.142 289 T CB -0.114 68.787 68.868 0.055 0.000 0.868 289 T HN 0.320 nan 8.240 nan 0.000 0.435 290 K N 0.017 120.475 120.400 0.098 0.000 2.148 290 K HA -0.064 4.252 4.320 -0.006 0.000 0.204 290 K C 2.069 178.736 176.600 0.112 0.000 1.050 290 K CA 0.784 57.122 56.287 0.085 0.000 0.942 290 K CB -0.042 32.501 32.500 0.072 0.000 0.724 290 K HN 0.318 nan 8.250 nan 0.000 0.446 291 W N 1.216 122.473 121.300 -0.073 0.000 2.378 291 W HA -0.142 4.514 4.660 -0.007 0.000 0.313 291 W C 1.767 178.165 176.519 -0.201 0.000 1.197 291 W CA 0.991 58.197 57.345 -0.232 0.000 1.304 291 W CB -0.599 28.637 29.460 -0.374 0.000 1.148 291 W HN -0.221 nan 8.180 nan 0.000 0.494 292 V N 1.205 121.234 119.914 0.191 0.000 2.392 292 V HA -0.317 3.799 4.120 -0.006 0.000 0.249 292 V C 2.400 178.486 176.094 -0.013 0.000 1.059 292 V CA 1.755 64.109 62.300 0.090 0.000 1.051 292 V CB -1.018 30.890 31.823 0.142 0.000 0.658 292 V HN 0.110 nan 8.190 nan 0.000 0.455 293 L N -1.302 119.928 121.223 0.011 0.000 2.072 293 L HA -0.142 4.195 4.340 -0.006 0.000 0.205 293 L C 2.465 179.313 176.870 -0.037 0.000 1.079 293 L CA 1.674 56.513 54.840 -0.002 0.000 0.752 293 L CB -0.453 41.618 42.059 0.019 0.000 0.906 293 L HN 0.313 nan 8.230 nan 0.000 0.436 294 M N -0.136 119.433 119.600 -0.053 0.000 2.213 294 M HA -0.130 4.346 4.480 -0.006 0.000 0.263 294 M C 2.067 178.239 176.300 -0.215 0.000 1.062 294 M CA 1.943 57.195 55.300 -0.080 0.000 1.105 294 M CB -0.367 32.204 32.600 -0.048 0.000 1.385 294 M HN 0.301 nan 8.290 nan 0.000 0.417 295 G N -0.694 107.821 108.800 -0.475 0.000 2.421 295 G HA2 -0.167 3.789 3.960 -0.006 0.000 0.216 295 G HA3 -0.167 3.789 3.960 -0.006 0.000 0.216 295 G C 1.384 175.990 174.900 -0.490 0.000 1.171 295 G CA 0.828 45.179 45.100 -1.249 0.000 0.775 295 G HN 0.593 nan 8.290 nan 0.000 0.543 296 G N 0.974 109.645 108.800 -0.214 0.000 2.422 296 G HA2 0.080 4.036 3.960 -0.006 0.000 0.218 296 G HA3 0.080 4.036 3.960 -0.006 0.000 0.218 296 G C 2.019 176.853 174.900 -0.110 0.000 1.146 296 G CA 1.490 46.547 45.100 -0.073 0.000 0.769 296 G HN 0.638 nan 8.290 nan 0.000 0.547 297 A N 0.918 123.713 122.820 -0.042 0.000 1.877 297 A HA 0.028 4.344 4.320 -0.006 0.000 0.216 297 A C 2.387 179.950 177.584 -0.035 0.000 1.186 297 A CA 1.374 53.449 52.037 0.063 0.000 0.620 297 A CB -0.365 18.696 19.000 0.102 0.000 0.822 297 A HN 0.368 nan 8.150 nan 0.000 0.443 298 I N -0.243 120.302 120.570 -0.043 0.000 2.179 298 I HA -0.171 3.995 4.170 -0.006 0.000 0.242 298 I C 2.725 178.816 176.117 -0.044 0.000 1.088 298 I CA 1.115 62.413 61.300 -0.003 0.000 1.357 298 I CB -0.724 37.314 38.000 0.063 0.000 1.051 298 I HN 0.373 nan 8.210 nan 0.000 0.409 299 G N 0.676 109.446 108.800 -0.051 0.000 2.459 299 G HA2 -0.215 3.741 3.960 -0.006 0.000 0.217 299 G HA3 -0.215 3.741 3.960 -0.006 0.000 0.217 299 G C 1.771 176.514 174.900 -0.261 0.000 1.183 299 G CA 0.897 45.959 45.100 -0.063 0.000 0.776 299 G HN 0.495 nan 8.290 nan 0.000 0.552 300 G N 0.783 109.217 108.800 -0.610 0.000 2.440 300 G HA2 -0.187 3.769 3.960 -0.006 0.000 0.218 300 G HA3 -0.187 3.769 3.960 -0.006 0.000 0.218 300 G C 1.767 176.142 174.900 -0.877 0.000 1.154 300 G CA 1.111 45.422 45.100 -1.316 0.000 0.767 300 G HN 0.457 nan 8.290 nan 0.000 0.552 301 L N 0.409 121.361 121.223 -0.452 0.000 2.131 301 L HA -0.013 4.323 4.340 -0.006 0.000 0.210 301 L C 2.657 179.532 176.870 0.009 0.000 1.092 301 L CA 1.449 56.291 54.840 0.002 0.000 0.759 301 L CB -0.667 41.444 42.059 0.086 0.000 0.903 301 L HN 0.250 nan 8.230 nan 0.000 0.435 302 C N -0.339 118.935 119.300 -0.043 0.000 2.466 302 C HA 0.048 4.504 4.460 -0.006 0.000 0.278 302 C C 2.759 177.758 174.990 0.015 0.000 1.288 302 C CA 0.577 59.598 59.018 0.004 0.000 1.722 302 C CB -1.719 26.026 27.740 0.008 0.000 2.017 302 C HN 0.739 nan 8.230 nan 0.000 0.488 303 G N 0.120 108.902 108.800 -0.030 0.000 2.422 303 G HA2 -0.173 3.783 3.960 -0.006 0.000 0.218 303 G HA3 -0.173 3.783 3.960 -0.006 0.000 0.218 303 G C 1.553 176.489 174.900 0.060 0.000 1.140 303 G CA 0.759 45.859 45.100 -0.000 0.000 0.775 303 G HN 0.483 nan 8.290 nan 0.000 0.545 304 L N 0.164 121.436 121.223 0.082 0.000 1.994 304 L HA 0.099 4.436 4.340 -0.006 0.000 0.208 304 L C 2.716 179.696 176.870 0.183 0.000 1.071 304 L CA 1.360 56.291 54.840 0.152 0.000 0.745 304 L CB -0.265 41.930 42.059 0.226 0.000 0.892 304 L HN 0.168 nan 8.230 nan 0.000 0.431 305 L N -0.547 120.765 121.223 0.148 0.000 2.201 305 L HA -0.085 4.251 4.340 -0.006 0.000 0.212 305 L C 1.966 178.922 176.870 0.143 0.000 1.105 305 L CA 0.842 55.769 54.840 0.146 0.000 0.775 305 L CB -0.957 41.166 42.059 0.107 0.000 0.913 305 L HN 0.474 nan 8.230 nan 0.000 0.440 306 G N -1.775 107.105 108.800 0.133 0.000 3.262 306 G HA2 -0.127 3.830 3.960 -0.006 0.000 0.222 306 G HA3 -0.127 3.830 3.960 -0.006 0.000 0.222 306 G C 0.621 175.647 174.900 0.210 0.000 1.269 306 G CA 0.106 45.284 45.100 0.131 0.000 1.032 306 G HN 0.381 nan 8.290 nan 0.000 0.502 307 F N -1.040 118.939 119.950 0.048 0.000 2.300 307 F HA 0.060 4.585 4.527 -0.003 0.000 0.307 307 F C 1.975 177.816 175.800 0.068 0.000 0.847 307 F CA 0.692 58.717 58.000 0.043 0.000 1.076 307 F CB 0.064 39.069 39.000 0.009 0.000 1.075 307 F HN 0.011 nan 8.300 nan 0.000 0.702 308 V N -0.079 119.955 119.914 0.201 0.000 2.719 308 V HA 0.503 4.619 4.120 -0.006 0.000 0.252 308 V C 0.667 176.808 176.094 0.078 0.000 1.065 308 V CA 1.162 63.539 62.300 0.129 0.000 1.086 308 V CB -0.645 31.330 31.823 0.254 0.000 0.700 308 V HN 0.628 nan 8.190 nan 0.000 0.467 309 A N -0.053 122.835 122.820 0.114 0.000 3.124 309 A HA 0.670 4.986 4.320 -0.006 0.000 0.295 309 A C -1.993 175.668 177.584 0.129 0.000 1.199 309 A CA -0.437 51.688 52.037 0.148 0.000 0.845 309 A CB 0.512 19.679 19.000 0.278 0.000 1.381 309 A HN 0.281 nan 8.150 nan 0.000 0.537 310 P HA -0.104 nan 4.420 nan 0.000 0.222 310 P C 1.716 179.073 177.300 0.095 0.000 1.147 310 P CA 1.622 64.776 63.100 0.091 0.000 0.790 310 P CB 0.310 32.056 31.700 0.077 0.000 0.780 311 A N -0.107 122.778 122.820 0.109 0.000 1.972 311 A HA -0.191 4.125 4.320 -0.006 0.000 0.219 311 A C 2.211 179.802 177.584 0.011 0.000 1.169 311 A CA 2.378 54.461 52.037 0.076 0.000 0.635 311 A CB -1.858 17.164 19.000 0.037 0.000 0.810 311 A HN 0.356 nan 8.150 nan 0.000 0.446 312 T N -3.945 110.612 114.554 0.004 0.000 3.023 312 T HA 0.146 4.493 4.350 -0.006 0.000 0.266 312 T C 1.171 175.863 174.700 -0.013 0.000 1.093 312 T CA 1.132 63.196 62.100 -0.059 0.000 1.129 312 T CB -0.160 68.656 68.868 -0.086 0.000 0.899 312 T HN 0.275 nan 8.240 nan 0.000 0.491 313 S N -0.856 114.861 115.700 0.028 0.000 2.753 313 S HA 0.667 5.134 4.470 -0.006 0.000 0.302 313 S C 0.574 175.197 174.600 0.039 0.000 1.104 313 S CA 0.231 58.453 58.200 0.037 0.000 0.968 313 S CB 0.713 63.945 63.200 0.053 0.000 1.278 313 S HN 1.353 nan 8.310 nan 0.000 0.549 314 G N -0.216 108.607 108.800 0.039 0.000 2.888 314 G HA2 -0.057 3.899 3.960 -0.006 0.000 0.441 314 G HA3 -0.057 3.899 3.960 -0.006 0.000 0.441 314 G C 0.815 175.722 174.900 0.011 0.000 1.461 314 G CA 0.012 45.133 45.100 0.034 0.000 0.897 314 G HN 1.371 nan 8.290 nan 0.000 0.547 315 G N -0.840 107.952 108.800 -0.014 0.000 2.545 315 G HA2 0.353 4.309 3.960 -0.006 0.000 0.217 315 G HA3 0.353 4.309 3.960 -0.006 0.000 0.217 315 G C 1.817 176.646 174.900 -0.118 0.000 1.218 315 G CA 2.699 47.741 45.100 -0.097 0.000 0.787 315 G HN 2.691 nan 8.290 nan 0.000 0.571 316 G N -1.787 106.972 108.800 -0.069 0.000 2.559 316 G HA2 -0.133 3.823 3.960 -0.006 0.000 0.202 316 G HA3 -0.133 3.823 3.960 -0.006 0.000 0.202 316 G C 1.000 175.987 174.900 0.146 0.000 0.992 316 G CA 0.285 45.392 45.100 0.010 0.000 0.764 316 G HN 0.354 nan 8.290 nan 0.000 0.525 317 F N 1.089 121.104 119.950 0.107 0.000 2.502 317 F HA 0.016 4.538 4.527 -0.007 0.000 0.298 317 F C 2.290 178.153 175.800 0.105 0.000 1.111 317 F CA 0.758 58.825 58.000 0.112 0.000 1.445 317 F CB 0.215 39.281 39.000 0.110 0.000 1.081 317 F HN 0.109 nan 8.300 nan 0.000 0.558 318 N N 0.495 119.367 118.700 0.286 0.000 2.368 318 N HA -0.051 4.686 4.740 -0.006 0.000 0.176 318 N C 1.720 177.349 175.510 0.199 0.000 1.021 318 N CA 0.834 54.008 53.050 0.206 0.000 0.888 318 N CB -0.338 38.250 38.487 0.167 0.000 0.995 318 N HN 0.277 nan 8.380 nan 0.000 0.437 319 L N -1.533 119.828 121.223 0.231 0.000 2.418 319 L HA 0.317 4.653 4.340 -0.006 0.000 0.218 319 L C 1.624 178.664 176.870 0.283 0.000 1.125 319 L CA 0.881 55.902 54.840 0.301 0.000 0.835 319 L CB -0.525 41.729 42.059 0.325 0.000 0.953 319 L HN -0.056 nan 8.230 nan 0.000 0.454 320 I N 0.710 121.420 120.570 0.234 0.000 2.127 320 I HA -0.148 4.018 4.170 -0.006 0.000 0.241 320 I C -0.109 176.102 176.117 0.156 0.000 1.075 320 I CA 1.415 62.837 61.300 0.203 0.000 1.334 320 I CB -1.503 36.624 38.000 0.212 0.000 1.040 320 I HN 0.285 nan 8.210 nan 0.000 0.405 321 P HA -0.132 nan 4.420 nan 0.000 0.217 321 P C 1.779 179.111 177.300 0.052 0.000 1.150 321 P CA 1.510 64.656 63.100 0.076 0.000 0.832 321 P CB -0.005 31.732 31.700 0.060 0.000 0.787 322 I N -0.392 120.206 120.570 0.048 0.000 2.133 322 I HA -0.234 3.933 4.170 -0.006 0.000 0.238 322 I C 2.403 178.492 176.117 -0.047 0.000 1.074 322 I CA 1.621 62.873 61.300 -0.080 0.000 1.342 322 I CB -1.072 36.797 38.000 -0.220 0.000 1.053 322 I HN -0.105 nan 8.210 nan 0.000 0.404 323 A N 0.539 123.465 122.820 0.177 0.000 1.940 323 A HA -0.203 4.113 4.320 -0.006 0.000 0.219 323 A C 2.367 180.062 177.584 0.184 0.000 1.176 323 A CA 2.487 54.715 52.037 0.317 0.000 0.631 323 A CB -1.170 18.079 19.000 0.415 0.000 0.814 323 A HN 0.459 nan 8.150 nan 0.000 0.446 324 T N 0.431 115.069 114.554 0.141 0.000 2.746 324 T HA -0.008 4.338 4.350 -0.006 0.000 0.267 324 T C 2.087 176.839 174.700 0.086 0.000 1.039 324 T CA 1.413 63.583 62.100 0.116 0.000 1.142 324 T CB -0.440 68.485 68.868 0.096 0.000 0.866 324 T HN 0.598 nan 8.240 nan 0.000 0.444 325 A N 0.749 123.599 122.820 0.051 0.000 2.216 325 A HA 0.400 4.716 4.320 -0.006 0.000 0.214 325 A C 1.900 179.497 177.584 0.022 0.000 1.160 325 A CA 0.973 53.025 52.037 0.025 0.000 0.725 325 A CB -1.140 17.856 19.000 -0.007 0.000 0.784 325 A HN 0.910 nan 8.150 nan 0.000 0.472 326 G N -0.562 108.263 108.800 0.040 0.000 2.256 326 G HA2 -0.288 3.669 3.960 -0.006 0.000 0.272 326 G HA3 -0.288 3.669 3.960 -0.006 0.000 0.272 326 G C 0.254 175.156 174.900 0.004 0.000 1.076 326 G CA 0.486 45.616 45.100 0.049 0.000 0.882 326 G HN 0.689 nan 8.290 nan 0.000 0.497 327 N N -1.269 117.382 118.700 -0.080 0.000 2.299 327 N HA 0.255 4.991 4.740 -0.006 0.000 0.187 327 N C 0.103 175.492 175.510 -0.202 0.000 1.099 327 N CA -0.253 52.694 53.050 -0.170 0.000 0.867 327 N CB 0.264 38.589 38.487 -0.270 0.000 0.974 327 N HN 0.344 nan 8.380 nan 0.000 0.477 328 F N 1.369 121.347 119.950 0.046 0.000 2.379 328 F HA 0.256 4.775 4.527 -0.012 0.000 0.332 328 F C 1.127 176.949 175.800 0.036 0.000 1.096 328 F CA -1.538 56.491 58.000 0.049 0.000 1.105 328 F CB 0.938 39.979 39.000 0.069 0.000 1.189 328 F HN -0.155 nan 8.300 nan 0.000 0.515 329 S N 2.213 118.068 115.700 0.259 0.000 2.617 329 S HA 0.227 4.693 4.470 -0.006 0.000 0.269 329 S C 1.025 175.692 174.600 0.111 0.000 1.292 329 S CA -0.777 57.503 58.200 0.134 0.000 1.010 329 S CB 0.987 64.243 63.200 0.093 0.000 0.944 329 S HN 0.762 nan 8.310 nan 0.000 0.536 330 M N 2.624 122.259 119.600 0.057 0.000 2.202 330 M HA 0.044 4.520 4.480 -0.006 0.000 0.262 330 M C 1.828 178.146 176.300 0.031 0.000 1.063 330 M CA 2.156 57.472 55.300 0.028 0.000 1.097 330 M CB -1.332 31.264 32.600 -0.006 0.000 1.382 330 M HN 0.942 nan 8.290 nan 0.000 0.413 331 G N -0.191 108.631 108.800 0.037 0.000 2.433 331 G HA2 -0.263 3.693 3.960 -0.006 0.000 0.216 331 G HA3 -0.263 3.693 3.960 -0.006 0.000 0.216 331 G C 1.445 176.387 174.900 0.071 0.000 1.186 331 G CA 1.183 46.307 45.100 0.040 0.000 0.779 331 G HN 0.496 nan 8.290 nan 0.000 0.543 332 M N 0.337 119.983 119.600 0.077 0.000 2.117 332 M HA 0.132 4.608 4.480 -0.006 0.000 0.262 332 M C 2.388 178.709 176.300 0.035 0.000 1.065 332 M CA 1.110 56.460 55.300 0.085 0.000 1.114 332 M CB -0.442 32.229 32.600 0.118 0.000 1.361 332 M HN 0.189 nan 8.290 nan 0.000 0.408 333 L N -1.451 119.779 121.223 0.011 0.000 1.989 333 L HA -0.258 4.078 4.340 -0.006 0.000 0.211 333 L C 2.304 179.191 176.870 0.028 0.000 1.071 333 L CA 1.294 56.120 54.840 -0.024 0.000 0.749 333 L CB -0.994 41.079 42.059 0.023 0.000 0.890 333 L HN 0.142 nan 8.230 nan 0.000 0.431 334 V N -0.309 119.634 119.914 0.049 0.000 2.324 334 V HA -0.358 3.758 4.120 -0.006 0.000 0.250 334 V C 2.209 178.394 176.094 0.152 0.000 1.060 334 V CA 2.245 64.591 62.300 0.076 0.000 1.042 334 V CB -0.595 31.260 31.823 0.053 0.000 0.650 334 V HN 0.387 nan 8.190 nan 0.000 0.450 335 F N 0.399 120.357 119.950 0.013 0.000 2.075 335 F HA -0.214 4.312 4.527 -0.000 0.000 0.297 335 F C 2.142 177.947 175.800 0.008 0.000 1.113 335 F CA 1.978 59.985 58.000 0.011 0.000 1.218 335 F CB -0.189 38.803 39.000 -0.013 0.000 0.984 335 F HN 0.067 nan 8.300 nan 0.000 0.472 336 I N -0.521 119.979 120.570 -0.116 0.000 2.151 336 I HA -0.331 3.835 4.170 -0.006 0.000 0.243 336 I C 2.280 178.309 176.117 -0.146 0.000 1.080 336 I CA 1.682 62.845 61.300 -0.228 0.000 1.339 336 I CB -0.714 37.158 38.000 -0.213 0.000 1.039 336 I HN 0.214 nan 8.210 nan 0.000 0.409 337 F N 1.183 121.036 119.950 -0.161 0.000 2.026 337 F HA -0.261 4.262 4.527 -0.007 0.000 0.296 337 F C 2.465 178.219 175.800 -0.077 0.000 1.133 337 F CA 1.970 59.909 58.000 -0.102 0.000 1.188 337 F CB -0.565 38.380 39.000 -0.091 0.000 0.968 337 F HN -0.237 nan 8.300 nan 0.000 0.476 338 V N 0.460 120.406 119.914 0.054 0.000 2.287 338 V HA -0.362 3.755 4.120 -0.006 0.000 0.248 338 V C 2.669 178.672 176.094 -0.153 0.000 1.053 338 V CA 2.075 64.362 62.300 -0.021 0.000 1.027 338 V CB -1.591 30.261 31.823 0.049 0.000 0.646 338 V HN 0.518 nan 8.190 nan 0.000 0.447 339 A N -0.622 122.022 122.820 -0.292 0.000 1.969 339 A HA -0.179 4.137 4.320 -0.006 0.000 0.218 339 A C 2.367 179.827 177.584 -0.207 0.000 1.169 339 A CA 1.481 53.326 52.037 -0.320 0.000 0.635 339 A CB -0.425 18.194 19.000 -0.634 0.000 0.810 339 A HN 0.514 nan 8.150 nan 0.000 0.445 340 R N -0.789 119.586 120.500 -0.209 0.000 2.093 340 R HA -0.017 4.320 4.340 -0.006 0.000 0.224 340 R C 2.045 178.290 176.300 -0.092 0.000 1.101 340 R CA 1.193 57.209 56.100 -0.139 0.000 0.979 340 R CB -0.537 29.677 30.300 -0.143 0.000 0.877 340 R HN 0.391 nan 8.270 nan 0.000 0.441 341 V N 1.865 121.693 119.914 -0.143 0.000 2.255 341 V HA -0.283 3.833 4.120 -0.006 0.000 0.247 341 V C 2.336 178.474 176.094 0.073 0.000 1.051 341 V CA 1.886 64.203 62.300 0.029 0.000 1.018 341 V CB -0.398 31.452 31.823 0.045 0.000 0.641 341 V HN 0.257 nan 8.190 nan 0.000 0.445 342 I N 0.737 121.299 120.570 -0.014 0.000 2.208 342 I HA -0.259 3.907 4.170 -0.006 0.000 0.245 342 I C 2.617 178.742 176.117 0.012 0.000 1.097 342 I CA 2.158 63.444 61.300 -0.023 0.000 1.363 342 I CB -0.688 37.281 38.000 -0.053 0.000 1.051 342 I HN 0.524 nan 8.210 nan 0.000 0.413 343 T N -3.132 111.428 114.554 0.009 0.000 2.985 343 T HA -0.067 4.279 4.350 -0.006 0.000 0.266 343 T C 1.753 176.500 174.700 0.078 0.000 1.076 343 T CA 1.374 63.495 62.100 0.035 0.000 1.135 343 T CB -0.586 68.290 68.868 0.014 0.000 0.890 343 T HN 0.212 nan 8.240 nan 0.000 0.480 344 T N 2.479 117.092 114.554 0.097 0.000 2.812 344 T HA 0.182 4.529 4.350 -0.006 0.000 0.264 344 T C 1.898 176.717 174.700 0.198 0.000 1.042 344 T CA 0.864 63.059 62.100 0.159 0.000 1.140 344 T CB -0.433 68.558 68.868 0.204 0.000 0.870 344 T HN 0.275 nan 8.240 nan 0.000 0.445 345 L N 0.203 121.520 121.223 0.156 0.000 2.046 345 L HA -0.027 4.309 4.340 -0.006 0.000 0.208 345 L C 2.372 179.314 176.870 0.120 0.000 1.077 345 L CA 0.868 55.773 54.840 0.109 0.000 0.747 345 L CB -0.514 41.566 42.059 0.035 0.000 0.896 345 L HN 0.195 nan 8.230 nan 0.000 0.432 346 L N -1.314 119.970 121.223 0.100 0.000 2.201 346 L HA -0.197 4.139 4.340 -0.006 0.000 0.212 346 L C 2.353 179.319 176.870 0.159 0.000 1.105 346 L CA 1.233 56.134 54.840 0.102 0.000 0.775 346 L CB -0.303 41.799 42.059 0.072 0.000 0.913 346 L HN 0.332 nan 8.230 nan 0.000 0.440 347 C N -2.472 116.939 119.300 0.185 0.000 2.541 347 C HA 0.005 4.461 4.460 -0.006 0.000 0.284 347 C C 2.508 177.643 174.990 0.241 0.000 1.341 347 C CA -0.266 58.883 59.018 0.217 0.000 1.732 347 C CB -0.560 27.292 27.740 0.186 0.000 2.126 347 C HN 0.536 nan 8.230 nan 0.000 0.505 348 F N 2.213 122.229 119.950 0.111 0.000 2.098 348 F HA -0.075 4.448 4.527 -0.006 0.000 0.294 348 F C 2.508 178.377 175.800 0.116 0.000 1.107 348 F CA 1.985 60.046 58.000 0.102 0.000 1.234 348 F CB -0.495 38.563 39.000 0.096 0.000 1.002 348 F HN 0.052 nan 8.300 nan 0.000 0.472 349 S N -0.153 115.659 115.700 0.186 0.000 2.442 349 S HA -0.195 4.271 4.470 -0.006 0.000 0.236 349 S C 2.141 176.807 174.600 0.110 0.000 1.007 349 S CA 1.196 59.453 58.200 0.095 0.000 0.965 349 S CB -0.838 62.431 63.200 0.114 0.000 0.773 349 S HN 0.594 nan 8.310 nan 0.000 0.504 350 S N 0.926 116.734 115.700 0.180 0.000 2.453 350 S HA 0.207 4.673 4.470 -0.006 0.000 0.231 350 S C 1.590 176.499 174.600 0.516 0.000 1.005 350 S CA 0.827 59.227 58.200 0.334 0.000 0.949 350 S CB -0.509 62.932 63.200 0.402 0.000 0.774 350 S HN 0.900 nan 8.310 nan 0.000 0.510 351 G N 0.695 109.632 108.800 0.227 0.000 2.130 351 G HA2 0.027 3.983 3.960 -0.006 0.000 0.216 351 G HA3 0.027 3.983 3.960 -0.006 0.000 0.216 351 G C 0.154 174.994 174.900 -0.101 0.000 0.999 351 G CA -0.088 45.080 45.100 0.113 0.000 0.686 351 G HN 1.224 nan 8.290 nan 0.000 0.515 352 A N 0.750 123.456 122.820 -0.190 0.000 2.445 352 A HA 0.657 4.973 4.320 -0.006 0.000 0.242 352 A C -1.323 176.090 177.584 -0.284 0.000 1.075 352 A CA -0.679 51.047 52.037 -0.519 0.000 0.777 352 A CB 0.265 19.017 19.000 -0.413 0.000 1.013 352 A HN 0.264 nan 8.150 nan 0.000 0.493 353 P HA 0.384 nan 4.420 nan 0.000 0.270 353 P C 0.109 177.388 177.300 -0.035 0.000 1.242 353 P CA 0.833 63.853 63.100 -0.132 0.000 0.768 353 P CB 0.471 32.104 31.700 -0.111 0.000 0.820 354 G N 1.963 110.775 108.800 0.019 0.000 2.322 354 G HA2 0.408 4.365 3.960 -0.006 0.000 0.289 354 G HA3 0.408 4.365 3.960 -0.006 0.000 0.289 354 G C -0.594 174.443 174.900 0.229 0.000 1.687 354 G CA -0.447 44.712 45.100 0.098 0.000 0.944 354 G HN 0.539 nan 8.290 nan 0.000 0.718 355 G N -0.569 108.346 108.800 0.191 0.000 2.476 355 G HA2 0.528 4.484 3.960 -0.006 0.000 0.269 355 G HA3 0.528 4.484 3.960 -0.006 0.000 0.269 355 G C 0.862 175.873 174.900 0.185 0.000 1.195 355 G CA -0.272 44.979 45.100 0.251 0.000 0.843 355 G HN 1.154 nan 8.290 nan 0.000 0.545 356 I N 1.125 121.674 120.570 -0.035 0.000 3.883 356 I HA 0.214 4.380 4.170 -0.006 0.000 0.326 356 I C 1.524 177.583 176.117 -0.097 0.000 1.283 356 I CA -0.352 60.767 61.300 -0.301 0.000 1.161 356 I CB -0.055 37.268 38.000 -1.129 0.000 1.012 356 I HN 0.581 nan 8.210 nan 0.000 0.421 357 F N 1.282 121.178 119.950 -0.091 0.000 2.075 357 F HA -0.207 4.316 4.527 -0.006 0.000 0.297 357 F C 2.522 178.334 175.800 0.020 0.000 1.113 357 F CA 2.114 60.098 58.000 -0.028 0.000 1.218 357 F CB -0.241 38.785 39.000 0.043 0.000 0.984 357 F HN 0.145 nan 8.300 nan 0.000 0.472 358 A N 0.193 123.187 122.820 0.290 0.000 1.877 358 A HA -0.106 4.210 4.320 -0.006 0.000 0.216 358 A C -0.337 177.228 177.584 -0.032 0.000 1.186 358 A CA 1.680 53.788 52.037 0.117 0.000 0.620 358 A CB -2.121 16.760 19.000 -0.198 0.000 0.822 358 A HN 0.275 nan 8.150 nan 0.000 0.443 359 P HA -0.132 nan 4.420 nan 0.000 0.219 359 P C 1.525 178.786 177.300 -0.066 0.000 1.146 359 P CA 1.145 64.216 63.100 -0.049 0.000 0.808 359 P CB -0.150 31.538 31.700 -0.019 0.000 0.779 360 M N -1.923 117.616 119.600 -0.101 0.000 2.319 360 M HA -0.064 4.412 4.480 -0.006 0.000 0.265 360 M C 1.779 178.013 176.300 -0.111 0.000 1.068 360 M CA 1.335 56.533 55.300 -0.170 0.000 1.118 360 M CB -0.486 31.956 32.600 -0.262 0.000 1.395 360 M HN -0.018 nan 8.290 nan 0.000 0.435 361 L N -0.706 120.485 121.223 -0.053 0.000 2.072 361 L HA -0.082 4.255 4.340 -0.006 0.000 0.205 361 L C 2.755 179.662 176.870 0.062 0.000 1.079 361 L CA 0.990 55.831 54.840 0.003 0.000 0.752 361 L CB -0.741 41.369 42.059 0.085 0.000 0.906 361 L HN 0.239 nan 8.230 nan 0.000 0.436 362 A N 0.019 122.882 122.820 0.071 0.000 1.902 362 A HA -0.175 4.142 4.320 -0.006 0.000 0.217 362 A C 2.265 179.907 177.584 0.096 0.000 1.181 362 A CA 1.444 53.538 52.037 0.095 0.000 0.623 362 A CB -0.686 18.353 19.000 0.065 0.000 0.818 362 A HN 0.340 nan 8.150 nan 0.000 0.443 363 L N -0.854 120.401 121.223 0.054 0.000 2.056 363 L HA -0.112 4.224 4.340 -0.006 0.000 0.207 363 L C 2.796 179.825 176.870 0.266 0.000 1.078 363 L CA 1.119 56.016 54.840 0.094 0.000 0.749 363 L CB -0.597 41.419 42.059 -0.071 0.000 0.901 363 L HN 0.496 nan 8.230 nan 0.000 0.433 364 G N -1.301 107.639 108.800 0.232 0.000 2.422 364 G HA2 -0.201 3.755 3.960 -0.006 0.000 0.218 364 G HA3 -0.201 3.755 3.960 -0.006 0.000 0.218 364 G C 1.523 176.597 174.900 0.289 0.000 1.140 364 G CA 1.136 46.450 45.100 0.356 0.000 0.775 364 G HN 0.303 nan 8.290 nan 0.000 0.545 365 T N 1.037 115.704 114.554 0.188 0.000 2.674 365 T HA -0.120 4.226 4.350 -0.006 0.000 0.265 365 T C 2.534 177.352 174.700 0.197 0.000 1.039 365 T CA 1.259 63.466 62.100 0.177 0.000 1.150 365 T CB -0.379 68.587 68.868 0.163 0.000 0.864 365 T HN 0.055 nan 8.240 nan 0.000 0.427 366 V N 1.808 121.841 119.914 0.199 0.000 2.220 366 V HA -0.145 3.971 4.120 -0.006 0.000 0.246 366 V C 2.461 178.609 176.094 0.090 0.000 1.049 366 V CA 1.683 64.084 62.300 0.169 0.000 1.003 366 V CB -0.836 31.114 31.823 0.212 0.000 0.634 366 V HN 0.324 nan 8.190 nan 0.000 0.444 367 L N 1.345 122.597 121.223 0.048 0.000 2.079 367 L HA -0.070 4.267 4.340 -0.006 0.000 0.210 367 L C 2.246 179.097 176.870 -0.032 0.000 1.081 367 L CA 2.454 57.149 54.840 -0.242 0.000 0.752 367 L CB -1.364 40.396 42.059 -0.498 0.000 0.896 367 L HN 0.289 nan 8.230 nan 0.000 0.433 368 G N -2.034 106.881 108.800 0.192 0.000 2.402 368 G HA2 -0.212 3.744 3.960 -0.006 0.000 0.216 368 G HA3 -0.212 3.744 3.960 -0.006 0.000 0.216 368 G C 1.404 176.465 174.900 0.269 0.000 1.162 368 G CA 1.050 46.325 45.100 0.292 0.000 0.777 368 G HN 0.442 nan 8.290 nan 0.000 0.539 369 T N 1.853 116.525 114.554 0.197 0.000 2.708 369 T HA 0.003 4.349 4.350 -0.006 0.000 0.266 369 T C 2.842 177.594 174.700 0.087 0.000 1.037 369 T CA 1.535 63.734 62.100 0.165 0.000 1.146 369 T CB -0.465 68.501 68.868 0.164 0.000 0.865 369 T HN 0.359 nan 8.240 nan 0.000 0.435 370 A N 1.230 124.073 122.820 0.038 0.000 1.892 370 A HA -0.112 4.204 4.320 -0.006 0.000 0.218 370 A C 2.046 179.595 177.584 -0.058 0.000 1.188 370 A CA 1.736 53.751 52.037 -0.036 0.000 0.631 370 A CB -1.094 17.837 19.000 -0.114 0.000 0.822 370 A HN 0.490 nan 8.150 nan 0.000 0.447 371 F N 0.998 120.849 119.950 -0.166 0.000 2.102 371 F HA -0.021 4.503 4.527 -0.005 0.000 0.298 371 F C 2.367 177.960 175.800 -0.345 0.000 1.105 371 F CA 1.681 59.547 58.000 -0.223 0.000 1.239 371 F CB -0.780 38.113 39.000 -0.178 0.000 0.991 371 F HN 0.213 nan 8.300 nan 0.000 0.474 372 G N 0.616 109.287 108.800 -0.214 0.000 2.476 372 G HA2 -0.316 3.640 3.960 -0.006 0.000 0.218 372 G HA3 -0.316 3.640 3.960 -0.006 0.000 0.218 372 G C 1.690 176.360 174.900 -0.384 0.000 1.164 372 G CA 1.247 46.057 45.100 -0.483 0.000 0.768 372 G HN 0.413 nan 8.290 nan 0.000 0.560 373 M N -0.129 119.351 119.600 -0.200 0.000 2.080 373 M HA -0.093 4.383 4.480 -0.006 0.000 0.260 373 M C 2.718 178.873 176.300 -0.241 0.000 1.068 373 M CA 1.139 56.345 55.300 -0.157 0.000 1.109 373 M CB -0.424 32.125 32.600 -0.085 0.000 1.342 373 M HN 0.128 nan 8.290 nan 0.000 0.405 374 V N 0.307 120.027 119.914 -0.323 0.000 2.490 374 V HA -0.238 3.878 4.120 -0.006 0.000 0.250 374 V C 2.583 178.406 176.094 -0.452 0.000 1.061 374 V CA 1.886 63.969 62.300 -0.362 0.000 1.064 374 V CB -1.206 30.393 31.823 -0.372 0.000 0.670 374 V HN 0.516 nan 8.190 nan 0.000 0.461 375 A N -0.264 122.175 122.820 -0.636 0.000 1.898 375 A HA -0.119 4.197 4.320 -0.006 0.000 0.216 375 A C 2.387 179.869 177.584 -0.170 0.000 1.181 375 A CA 1.849 53.582 52.037 -0.508 0.000 0.620 375 A CB -0.554 17.789 19.000 -1.094 0.000 0.819 375 A HN 0.326 nan 8.150 nan 0.000 0.442 376 V N 1.145 120.933 119.914 -0.211 0.000 2.261 376 V HA -0.319 3.797 4.120 -0.006 0.000 0.246 376 V C 2.632 178.657 176.094 -0.116 0.000 1.047 376 V CA 2.464 64.716 62.300 -0.079 0.000 1.015 376 V CB -1.043 30.749 31.823 -0.053 0.000 0.642 376 V HN 0.930 nan 8.190 nan 0.000 0.446 377 E N 0.302 120.399 120.200 -0.172 0.000 2.110 377 E HA -0.218 4.128 4.350 -0.006 0.000 0.193 377 E C 2.116 178.544 176.600 -0.287 0.000 0.988 377 E CA 1.637 57.922 56.400 -0.191 0.000 0.804 377 E CB -0.454 29.141 29.700 -0.174 0.000 0.745 377 E HN 0.537 nan 8.360 nan 0.000 0.458 378 L N -0.568 120.391 121.223 -0.440 0.000 2.240 378 L HA 0.058 4.395 4.340 -0.006 0.000 0.211 378 L C 0.354 176.593 176.870 -1.052 0.000 1.106 378 L CA 0.536 54.886 54.840 -0.817 0.000 0.793 378 L CB 0.199 41.569 42.059 -1.148 0.000 0.927 378 L HN 0.129 nan 8.230 nan 0.000 0.446 379 F N -0.933 118.922 119.950 -0.158 0.000 2.660 379 F HA 0.297 4.821 4.527 -0.005 0.000 0.352 379 F C -1.681 173.995 175.800 -0.206 0.000 1.257 379 F CA -1.553 56.310 58.000 -0.227 0.000 1.200 379 F CB 0.479 39.376 39.000 -0.172 0.000 1.473 379 F HN -0.181 nan 8.300 nan 0.000 0.561 380 P HA -0.196 nan 4.420 nan 0.000 0.223 380 P C 1.235 178.365 177.300 -0.282 0.000 1.151 380 P CA 1.192 64.187 63.100 -0.174 0.000 0.787 380 P CB 0.264 31.864 31.700 -0.166 0.000 0.788 381 Q N -0.859 118.823 119.800 -0.196 0.000 2.472 381 Q HA -0.109 4.227 4.340 -0.006 0.000 0.208 381 Q C 1.375 177.485 176.000 0.182 0.000 0.958 381 Q CA 1.015 56.764 55.803 -0.089 0.000 0.932 381 Q CB -0.939 27.755 28.738 -0.073 0.000 1.007 381 Q HN 0.407 nan 8.270 nan 0.000 0.508 382 Y N 0.006 120.410 120.300 0.173 0.000 2.503 382 Y HA 0.049 4.595 4.550 -0.007 0.000 0.278 382 Y C -0.135 175.962 175.900 0.328 0.000 1.111 382 Y CA -0.173 58.078 58.100 0.251 0.000 1.270 382 Y CB 0.233 38.807 38.460 0.190 0.000 1.063 382 Y HN 0.283 nan 8.280 nan 0.000 0.548 383 H N -0.310 118.909 119.070 0.248 0.000 2.819 383 H HA -0.141 4.411 4.556 -0.006 0.000 0.315 383 H C -0.581 174.854 175.328 0.179 0.000 1.242 383 H CA -0.036 56.113 56.048 0.168 0.000 1.157 383 H CB -2.238 27.602 29.762 0.130 0.000 1.451 383 H HN 0.224 nan 8.280 nan 0.000 0.430 384 L N 0.233 121.620 121.223 0.274 0.000 2.452 384 L HA 0.226 4.562 4.340 -0.006 0.000 0.267 384 L C 1.017 178.029 176.870 0.237 0.000 1.188 384 L CA 0.263 55.285 54.840 0.304 0.000 0.821 384 L CB 0.775 43.059 42.059 0.375 0.000 1.102 384 L HN 0.415 nan 8.230 nan 0.000 0.470 385 E N 0.912 121.270 120.200 0.263 0.000 2.145 385 E HA 0.318 4.664 4.350 -0.006 0.000 0.262 385 E C 0.385 177.164 176.600 0.299 0.000 0.883 385 E CA -0.457 56.068 56.400 0.208 0.000 0.748 385 E CB 1.717 31.507 29.700 0.150 0.000 1.140 385 E HN 0.705 nan 8.360 nan 0.000 0.417 386 A N 3.571 126.533 122.820 0.238 0.000 2.148 386 A HA -0.171 4.145 4.320 -0.006 0.000 0.222 386 A C 1.770 179.536 177.584 0.303 0.000 1.161 386 A CA 1.817 54.011 52.037 0.261 0.000 0.662 386 A CB -0.489 18.580 19.000 0.114 0.000 0.799 386 A HN 0.741 nan 8.150 nan 0.000 0.466 387 G N -0.689 108.245 108.800 0.224 0.000 2.464 387 G HA2 -0.094 3.862 3.960 -0.006 0.000 0.217 387 G HA3 -0.094 3.862 3.960 -0.006 0.000 0.217 387 G C 1.665 176.659 174.900 0.156 0.000 1.138 387 G CA 1.666 46.869 45.100 0.171 0.000 0.793 387 G HN 0.688 nan 8.290 nan 0.000 0.539 388 T N -1.158 113.485 114.554 0.148 0.000 2.821 388 T HA -0.023 4.323 4.350 -0.006 0.000 0.267 388 T C 2.055 176.785 174.700 0.050 0.000 1.046 388 T CA 0.806 62.922 62.100 0.027 0.000 1.139 388 T CB -0.457 68.373 68.868 -0.064 0.000 0.871 388 T HN 0.146 nan 8.240 nan 0.000 0.454 389 F N 2.091 122.192 119.950 0.251 0.000 2.259 389 F HA 0.332 4.855 4.527 -0.006 0.000 0.298 389 F C 2.918 178.839 175.800 0.202 0.000 1.088 389 F CA 0.478 58.648 58.000 0.285 0.000 1.358 389 F CB -0.705 38.443 39.000 0.247 0.000 1.040 389 F HN 0.254 nan 8.300 nan 0.000 0.505 390 A N 0.288 123.301 122.820 0.322 0.000 1.933 390 A HA -0.121 4.195 4.320 -0.006 0.000 0.218 390 A C 2.224 179.892 177.584 0.140 0.000 1.175 390 A CA 1.487 53.657 52.037 0.221 0.000 0.628 390 A CB -0.912 18.202 19.000 0.189 0.000 0.814 390 A HN 0.396 nan 8.150 nan 0.000 0.444 391 I N -0.632 119.994 120.570 0.092 0.000 2.277 391 I HA -0.176 3.991 4.170 -0.006 0.000 0.243 391 I C 2.943 179.038 176.117 -0.036 0.000 1.094 391 I CA 0.848 62.157 61.300 0.015 0.000 1.393 391 I CB -0.273 37.718 38.000 -0.016 0.000 1.078 391 I HN 0.336 nan 8.210 nan 0.000 0.417 392 A N 0.645 123.444 122.820 -0.034 0.000 1.940 392 A HA -0.155 4.162 4.320 -0.006 0.000 0.219 392 A C 2.262 179.785 177.584 -0.101 0.000 1.176 392 A CA 2.003 53.986 52.037 -0.091 0.000 0.631 392 A CB -1.218 17.755 19.000 -0.046 0.000 0.814 392 A HN 0.485 nan 8.150 nan 0.000 0.446 393 G N -1.540 107.248 108.800 -0.019 0.000 2.939 393 G HA2 0.128 4.085 3.960 -0.006 0.000 0.210 393 G HA3 0.128 4.085 3.960 -0.006 0.000 0.210 393 G C 1.336 176.090 174.900 -0.243 0.000 1.160 393 G CA 0.634 45.641 45.100 -0.155 0.000 0.770 393 G HN 0.487 nan 8.290 nan 0.000 0.543 394 M N 0.935 120.469 119.600 -0.110 0.000 2.059 394 M HA 0.051 4.527 4.480 -0.006 0.000 0.259 394 M C 2.191 178.389 176.300 -0.170 0.000 1.072 394 M CA 2.018 57.273 55.300 -0.075 0.000 1.117 394 M CB -0.101 32.484 32.600 -0.025 0.000 1.320 394 M HN 0.133 nan 8.290 nan 0.000 0.408 395 G N -1.231 107.439 108.800 -0.216 0.000 3.233 395 G HA2 0.350 4.306 3.960 -0.006 0.000 0.227 395 G HA3 0.350 4.306 3.960 -0.006 0.000 0.227 395 G C 1.102 175.800 174.900 -0.338 0.000 1.175 395 G CA 0.472 45.424 45.100 -0.247 0.000 0.781 395 G HN 0.611 nan 8.290 nan 0.000 0.542 396 A N 0.243 122.745 122.820 -0.530 0.000 1.970 396 A HA 0.208 4.524 4.320 -0.006 0.000 0.216 396 A C 2.090 179.293 177.584 -0.634 0.000 1.170 396 A CA 0.490 52.090 52.037 -0.728 0.000 0.645 396 A CB -0.183 18.045 19.000 -1.287 0.000 0.816 396 A HN 0.360 nan 8.150 nan 0.000 0.447 397 L N -0.204 120.703 121.223 -0.527 0.000 2.156 397 L HA -0.017 4.319 4.340 -0.006 0.000 0.208 397 L C 2.150 178.911 176.870 -0.181 0.000 1.095 397 L CA 1.258 56.025 54.840 -0.122 0.000 0.770 397 L CB -0.571 41.514 42.059 0.043 0.000 0.914 397 L HN 0.419 nan 8.230 nan 0.000 0.439 398 L N -0.290 120.767 121.223 -0.276 0.000 2.191 398 L HA -0.130 4.206 4.340 -0.006 0.000 0.212 398 L C 2.404 179.141 176.870 -0.223 0.000 1.103 398 L CA 0.945 55.588 54.840 -0.328 0.000 0.769 398 L CB -0.572 41.231 42.059 -0.428 0.000 0.908 398 L HN 0.248 nan 8.230 nan 0.000 0.438 399 A N -0.945 121.756 122.820 -0.197 0.000 2.251 399 A HA 0.390 4.706 4.320 -0.006 0.000 0.209 399 A C 1.993 179.517 177.584 -0.100 0.000 1.187 399 A CA 0.964 52.915 52.037 -0.144 0.000 0.823 399 A CB -0.112 18.791 19.000 -0.161 0.000 0.846 399 A HN 0.344 nan 8.150 nan 0.000 0.486 400 A N -1.825 120.949 122.820 -0.077 0.000 2.141 400 A HA 0.364 4.680 4.320 -0.006 0.000 0.201 400 A C 1.973 179.545 177.584 -0.020 0.000 1.344 400 A CA 1.115 53.139 52.037 -0.023 0.000 0.971 400 A CB -0.030 19.006 19.000 0.059 0.000 1.035 400 A HN 0.281 nan 8.150 nan 0.000 0.480 401 S N -0.035 115.647 115.700 -0.031 0.000 2.384 401 S HA 0.166 4.632 4.470 -0.006 0.000 0.217 401 S C 1.680 176.264 174.600 -0.028 0.000 1.041 401 S CA 0.918 59.112 58.200 -0.011 0.000 0.948 401 S CB -0.353 62.869 63.200 0.038 0.000 0.872 401 S HN 0.418 nan 8.310 nan 0.000 0.512 402 I N 1.148 121.674 120.570 -0.074 0.000 2.546 402 I HA -0.013 4.153 4.170 -0.006 0.000 0.255 402 I C 0.354 176.461 176.117 -0.017 0.000 1.163 402 I CA 0.570 61.840 61.300 -0.051 0.000 1.457 402 I CB -0.059 37.859 38.000 -0.136 0.000 1.092 402 I HN 0.162 nan 8.210 nan 0.000 0.434 403 R N -0.027 120.446 120.500 -0.044 0.000 3.532 403 R HA -0.142 4.194 4.340 -0.006 0.000 0.284 403 R C -0.141 176.144 176.300 -0.024 0.000 1.140 403 R CA 0.771 56.848 56.100 -0.038 0.000 0.768 403 R CB -2.631 27.652 30.300 -0.028 0.000 1.252 403 R HN 0.402 nan 8.270 nan 0.000 0.454 404 A N 0.322 123.131 122.820 -0.018 0.000 3.105 404 A HA 0.504 4.820 4.320 -0.006 0.000 0.336 404 A C -1.079 176.496 177.584 -0.016 0.000 1.042 404 A CA -1.049 51.000 52.037 0.020 0.000 0.851 404 A CB 0.850 19.930 19.000 0.133 0.000 1.068 404 A HN -0.047 nan 8.150 nan 0.000 0.477 405 P HA -0.160 nan 4.420 nan 0.000 0.215 405 P C 1.474 178.743 177.300 -0.052 0.000 1.157 405 P CA 0.673 63.731 63.100 -0.070 0.000 0.863 405 P CB 0.240 31.895 31.700 -0.075 0.000 0.787 406 L N -0.304 120.902 121.223 -0.030 0.000 2.265 406 L HA -0.058 4.279 4.340 -0.006 0.000 0.215 406 L C 2.053 178.923 176.870 0.001 0.000 1.117 406 L CA 1.945 56.774 54.840 -0.018 0.000 0.782 406 L CB -1.573 40.479 42.059 -0.011 0.000 0.914 406 L HN -0.063 nan 8.230 nan 0.000 0.441 407 T N -1.341 113.231 114.554 0.029 0.000 2.770 407 T HA -0.005 4.342 4.350 -0.006 0.000 0.258 407 T C 1.706 176.405 174.700 -0.001 0.000 1.039 407 T CA 0.982 63.120 62.100 0.065 0.000 1.143 407 T CB -0.687 68.305 68.868 0.207 0.000 0.866 407 T HN 0.487 nan 8.240 nan 0.000 0.428 408 G N 1.574 110.352 108.800 -0.036 0.000 2.459 408 G HA2 -0.156 3.800 3.960 -0.006 0.000 0.217 408 G HA3 -0.156 3.800 3.960 -0.006 0.000 0.217 408 G C 1.539 176.371 174.900 -0.112 0.000 1.183 408 G CA 0.652 45.690 45.100 -0.104 0.000 0.776 408 G HN 0.475 nan 8.290 nan 0.000 0.552 409 I N 0.453 120.964 120.570 -0.098 0.000 2.208 409 I HA -0.168 3.998 4.170 -0.006 0.000 0.245 409 I C 2.630 178.703 176.117 -0.073 0.000 1.097 409 I CA 0.983 62.225 61.300 -0.097 0.000 1.363 409 I CB -0.158 37.789 38.000 -0.089 0.000 1.051 409 I HN 0.148 nan 8.210 nan 0.000 0.413 410 I N -0.295 120.243 120.570 -0.052 0.000 2.500 410 I HA -0.235 3.931 4.170 -0.006 0.000 0.252 410 I C 2.376 178.454 176.117 -0.063 0.000 1.142 410 I CA 0.690 61.968 61.300 -0.037 0.000 1.451 410 I CB -0.136 37.853 38.000 -0.019 0.000 1.093 410 I HN 0.205 nan 8.210 nan 0.000 0.430 411 L N 0.372 121.536 121.223 -0.097 0.000 2.042 411 L HA -0.188 4.148 4.340 -0.006 0.000 0.210 411 L C 2.386 179.165 176.870 -0.152 0.000 1.076 411 L CA 1.864 56.605 54.840 -0.164 0.000 0.749 411 L CB -0.407 41.509 42.059 -0.239 0.000 0.893 411 L HN -0.025 nan 8.230 nan 0.000 0.432 412 V N -0.663 119.176 119.914 -0.124 0.000 2.270 412 V HA -0.270 3.847 4.120 -0.006 0.000 0.245 412 V C 2.466 178.521 176.094 -0.064 0.000 1.043 412 V CA 1.730 63.973 62.300 -0.096 0.000 1.014 412 V CB -0.662 31.102 31.823 -0.099 0.000 0.645 412 V HN 0.492 nan 8.190 nan 0.000 0.447 413 L N 0.034 121.227 121.223 -0.051 0.000 2.263 413 L HA -0.204 4.132 4.340 -0.006 0.000 0.216 413 L C 2.239 179.107 176.870 -0.003 0.000 1.111 413 L CA 1.931 56.764 54.840 -0.011 0.000 0.773 413 L CB -0.528 41.544 42.059 0.023 0.000 0.906 413 L HN 0.408 nan 8.230 nan 0.000 0.439 414 E N -1.805 118.379 120.200 -0.026 0.000 2.250 414 E HA -0.061 4.285 4.350 -0.006 0.000 0.192 414 E C 2.055 178.640 176.600 -0.025 0.000 0.986 414 E CA 0.756 57.142 56.400 -0.024 0.000 0.849 414 E CB 0.073 29.750 29.700 -0.037 0.000 0.797 414 E HN 0.553 nan 8.360 nan 0.000 0.482 415 M N -0.042 119.535 119.600 -0.039 0.000 2.429 415 M HA -0.040 4.436 4.480 -0.006 0.000 0.265 415 M C 2.525 178.808 176.300 -0.028 0.000 1.120 415 M CA 1.335 56.611 55.300 -0.041 0.000 1.173 415 M CB 0.074 32.638 32.600 -0.061 0.000 1.343 415 M HN 0.080 nan 8.290 nan 0.000 0.464 416 T N -3.334 111.206 114.554 -0.023 0.000 3.054 416 T HA -0.055 4.291 4.350 -0.006 0.000 0.259 416 T C 0.771 175.470 174.700 -0.001 0.000 1.092 416 T CA 0.590 62.683 62.100 -0.011 0.000 1.121 416 T CB -0.149 68.711 68.868 -0.013 0.000 0.912 416 T HN 0.373 nan 8.240 nan 0.000 0.489 417 D N 1.822 122.225 120.400 0.004 0.000 2.689 417 D HA -0.157 4.479 4.640 -0.006 0.000 0.237 417 D C -0.804 175.514 176.300 0.030 0.000 1.148 417 D CA 0.341 54.353 54.000 0.021 0.000 0.656 417 D CB -1.920 38.890 40.800 0.016 0.000 1.050 417 D HN 0.603 nan 8.370 nan 0.000 0.426 418 N N 0.809 119.523 118.700 0.023 0.000 2.818 418 N HA 0.013 4.749 4.740 -0.006 0.000 0.301 418 N C 0.735 176.247 175.510 0.003 0.000 1.821 418 N CA -0.406 52.649 53.050 0.009 0.000 0.930 418 N CB 0.202 38.674 38.487 -0.025 0.000 1.263 418 N HN 0.280 nan 8.380 nan 0.000 0.487 419 Y N 2.542 122.811 120.300 -0.051 0.000 2.193 419 Y HA -0.306 4.240 4.550 -0.006 0.000 0.285 419 Y C 2.150 178.008 175.900 -0.069 0.000 1.166 419 Y CA 2.039 60.105 58.100 -0.057 0.000 1.181 419 Y CB 0.265 38.699 38.460 -0.043 0.000 0.976 419 Y HN 0.327 nan 8.280 nan 0.000 0.520 420 Q N 0.215 119.947 119.800 -0.112 0.000 2.515 420 Q HA -0.120 4.217 4.340 -0.006 0.000 0.215 420 Q C 0.982 176.822 176.000 -0.267 0.000 0.983 420 Q CA 1.680 57.377 55.803 -0.177 0.000 0.905 420 Q CB -0.899 27.806 28.738 -0.055 0.000 0.961 420 Q HN 0.589 nan 8.270 nan 0.000 0.503 421 L N -0.160 120.887 121.223 -0.293 0.000 2.848 421 L HA 0.241 4.577 4.340 -0.006 0.000 0.240 421 L C 1.054 177.683 176.870 -0.402 0.000 1.232 421 L CA -0.342 54.298 54.840 -0.333 0.000 1.031 421 L CB 0.019 41.918 42.059 -0.268 0.000 1.338 421 L HN 0.177 nan 8.230 nan 0.000 0.509 422 I N 0.003 120.266 120.570 -0.511 0.000 2.202 422 I HA -0.261 3.905 4.170 -0.006 0.000 0.242 422 I C 2.039 177.943 176.117 -0.355 0.000 1.091 422 I CA 1.703 62.704 61.300 -0.499 0.000 1.368 422 I CB 0.139 37.640 38.000 -0.832 0.000 1.058 422 I HN 0.176 nan 8.210 nan 0.000 0.410 423 L N 0.967 121.987 121.223 -0.339 0.000 1.994 423 L HA -0.098 4.238 4.340 -0.006 0.000 0.208 423 L C -0.372 176.301 176.870 -0.328 0.000 1.071 423 L CA 2.399 57.079 54.840 -0.265 0.000 0.745 423 L CB -2.206 39.729 42.059 -0.207 0.000 0.892 423 L HN 0.161 nan 8.230 nan 0.000 0.431 424 P HA -0.193 nan 4.420 nan 0.000 0.216 424 P C 2.039 179.011 177.300 -0.547 0.000 1.150 424 P CA 1.637 64.208 63.100 -0.881 0.000 0.843 424 P CB -0.061 30.628 31.700 -1.686 0.000 0.787 425 M N -1.937 117.413 119.600 -0.416 0.000 2.099 425 M HA -0.113 4.363 4.480 -0.006 0.000 0.262 425 M C 2.148 178.325 176.300 -0.205 0.000 1.067 425 M CA 1.727 56.862 55.300 -0.276 0.000 1.124 425 M CB -0.754 31.703 32.600 -0.239 0.000 1.353 425 M HN -0.099 nan 8.290 nan 0.000 0.410 426 I N 0.465 120.921 120.570 -0.190 0.000 2.099 426 I HA -0.327 3.839 4.170 -0.006 0.000 0.239 426 I C 2.273 178.324 176.117 -0.111 0.000 1.066 426 I CA 1.539 62.758 61.300 -0.134 0.000 1.324 426 I CB -0.385 37.546 38.000 -0.115 0.000 1.037 426 I HN 0.229 nan 8.210 nan 0.000 0.401 427 I N 0.291 120.793 120.570 -0.113 0.000 2.194 427 I HA -0.326 3.840 4.170 -0.006 0.000 0.246 427 I C 2.520 178.616 176.117 -0.036 0.000 1.093 427 I CA 1.726 62.993 61.300 -0.056 0.000 1.355 427 I CB -0.641 37.342 38.000 -0.030 0.000 1.046 427 I HN 0.290 nan 8.210 nan 0.000 0.413 428 T N 0.262 114.781 114.554 -0.059 0.000 2.701 428 T HA -0.094 4.252 4.350 -0.006 0.000 0.263 428 T C 1.978 176.620 174.700 -0.096 0.000 1.040 428 T CA 1.432 63.503 62.100 -0.048 0.000 1.147 428 T CB -0.850 67.984 68.868 -0.058 0.000 0.865 428 T HN 0.568 nan 8.240 nan 0.000 0.426 429 G N 1.409 110.128 108.800 -0.135 0.000 2.476 429 G HA2 -0.200 3.756 3.960 -0.006 0.000 0.218 429 G HA3 -0.200 3.756 3.960 -0.006 0.000 0.218 429 G C 1.557 176.396 174.900 -0.102 0.000 1.164 429 G CA 0.953 45.967 45.100 -0.144 0.000 0.768 429 G HN 0.437 nan 8.290 nan 0.000 0.560 430 L N 1.022 122.198 121.223 -0.078 0.000 2.093 430 L HA 0.179 4.515 4.340 -0.006 0.000 0.208 430 L C 2.880 179.722 176.870 -0.047 0.000 1.085 430 L CA 1.980 56.783 54.840 -0.061 0.000 0.755 430 L CB -0.587 41.444 42.059 -0.045 0.000 0.904 430 L HN 0.199 nan 8.230 nan 0.000 0.435 431 G N -1.027 107.758 108.800 -0.025 0.000 2.422 431 G HA2 -0.278 3.678 3.960 -0.006 0.000 0.218 431 G HA3 -0.278 3.678 3.960 -0.006 0.000 0.218 431 G C 1.613 176.516 174.900 0.005 0.000 1.146 431 G CA 0.726 45.830 45.100 0.006 0.000 0.769 431 G HN 0.583 nan 8.290 nan 0.000 0.547 432 A N 0.593 123.407 122.820 -0.009 0.000 1.877 432 A HA -0.042 4.274 4.320 -0.006 0.000 0.216 432 A C 2.570 180.136 177.584 -0.029 0.000 1.186 432 A CA 2.593 54.637 52.037 0.011 0.000 0.620 432 A CB -1.007 17.969 19.000 -0.040 0.000 0.822 432 A HN 0.324 nan 8.150 nan 0.000 0.443 433 T N 0.244 114.754 114.554 -0.073 0.000 2.821 433 T HA -0.000 4.346 4.350 -0.006 0.000 0.267 433 T C 1.835 176.425 174.700 -0.183 0.000 1.046 433 T CA 1.212 63.248 62.100 -0.107 0.000 1.139 433 T CB -0.313 68.492 68.868 -0.105 0.000 0.871 433 T HN 0.312 nan 8.240 nan 0.000 0.454 434 L N 0.355 121.455 121.223 -0.205 0.000 2.005 434 L HA -0.007 4.329 4.340 -0.006 0.000 0.207 434 L C 2.479 179.071 176.870 -0.462 0.000 1.072 434 L CA 0.901 55.489 54.840 -0.419 0.000 0.744 434 L CB -0.434 41.493 42.059 -0.220 0.000 0.895 434 L HN 0.224 nan 8.230 nan 0.000 0.433 435 L N -0.451 120.709 121.223 -0.105 0.000 2.217 435 L HA -0.096 4.240 4.340 -0.006 0.000 0.211 435 L C 2.762 179.633 176.870 0.001 0.000 1.107 435 L CA 1.499 56.365 54.840 0.043 0.000 0.783 435 L CB -1.375 40.744 42.059 0.100 0.000 0.919 435 L HN 0.214 nan 8.230 nan 0.000 0.442 436 A N -0.751 122.037 122.820 -0.054 0.000 1.933 436 A HA -0.256 4.061 4.320 -0.006 0.000 0.218 436 A C 2.285 179.827 177.584 -0.069 0.000 1.175 436 A CA 1.643 53.652 52.037 -0.046 0.000 0.628 436 A CB -0.375 18.596 19.000 -0.049 0.000 0.814 436 A HN 0.480 nan 8.150 nan 0.000 0.444 437 Q N -1.480 118.221 119.800 -0.165 0.000 2.020 437 Q HA -0.120 4.216 4.340 -0.006 0.000 0.198 437 Q C 1.666 177.650 176.000 -0.027 0.000 0.974 437 Q CA 1.428 57.132 55.803 -0.166 0.000 0.829 437 Q CB -0.203 28.327 28.738 -0.347 0.000 0.894 437 Q HN 0.575 nan 8.270 nan 0.000 0.433 438 F N 0.743 120.701 119.950 0.014 0.000 2.333 438 F HA -0.095 4.428 4.527 -0.007 0.000 0.300 438 F C 2.114 177.921 175.800 0.012 0.000 1.083 438 F CA 1.439 59.447 58.000 0.014 0.000 1.395 438 F CB -0.729 38.282 39.000 0.017 0.000 1.056 438 F HN 0.181 nan 8.300 nan 0.000 0.529 439 T N -2.897 111.758 114.554 0.168 0.000 3.251 439 T HA 0.454 4.801 4.350 -0.006 0.000 0.259 439 T C 1.273 176.006 174.700 0.055 0.000 0.998 439 T CA 0.127 62.285 62.100 0.095 0.000 0.905 439 T CB -0.449 68.459 68.868 0.066 0.000 1.067 439 T HN 0.430 nan 8.240 nan 0.000 0.569 440 G N 0.461 109.300 108.800 0.064 0.000 2.338 440 G HA2 0.000 3.957 3.960 -0.006 0.000 0.296 440 G HA3 0.000 3.957 3.960 -0.006 0.000 0.296 440 G C 0.300 175.207 174.900 0.013 0.000 1.040 440 G CA -0.299 44.825 45.100 0.040 0.000 1.004 440 G HN 1.061 nan 8.290 nan 0.000 0.509 441 G N -0.580 108.220 108.800 0.001 0.000 2.410 441 G HA2 0.665 4.622 3.960 -0.006 0.000 0.330 441 G HA3 0.665 4.622 3.960 -0.006 0.000 0.330 441 G C -0.209 174.685 174.900 -0.010 0.000 1.142 441 G CA -0.848 44.242 45.100 -0.017 0.000 0.902 441 G HN 0.402 nan 8.290 nan 0.000 0.491 442 K N 1.928 122.323 120.400 -0.007 0.000 2.324 442 K HA 0.326 4.642 4.320 -0.006 0.000 0.253 442 K C -2.732 173.875 176.600 0.012 0.000 0.932 442 K CA -1.764 54.528 56.287 0.009 0.000 0.799 442 K CB 2.679 35.189 32.500 0.017 0.000 1.154 442 K HN 0.180 nan 8.250 nan 0.000 0.425 443 P HA -0.126 nan 4.420 nan 0.000 0.255 443 P C 0.981 178.308 177.300 0.044 0.000 1.173 443 P CA 0.075 63.191 63.100 0.027 0.000 0.780 443 P CB 0.281 32.001 31.700 0.034 0.000 0.758 444 L N 4.113 125.360 121.223 0.041 0.000 2.081 444 L HA -0.257 4.079 4.340 -0.006 0.000 0.212 444 L C 1.688 178.619 176.870 0.101 0.000 1.080 444 L CA 2.704 57.580 54.840 0.060 0.000 0.754 444 L CB -1.035 41.053 42.059 0.047 0.000 0.893 444 L HN 0.339 nan 8.230 nan 0.000 0.433 445 A N -1.355 121.533 122.820 0.113 0.000 1.930 445 A HA -0.102 4.214 4.320 -0.006 0.000 0.215 445 A C 2.374 180.025 177.584 0.112 0.000 1.176 445 A CA 1.404 53.527 52.037 0.144 0.000 0.632 445 A CB -0.442 18.666 19.000 0.181 0.000 0.819 445 A HN 0.512 nan 8.150 nan 0.000 0.445 446 S N 0.096 115.850 115.700 0.091 0.000 2.355 446 S HA -0.008 4.458 4.470 -0.006 0.000 0.222 446 S C 2.314 176.961 174.600 0.079 0.000 1.031 446 S CA 1.081 59.334 58.200 0.088 0.000 0.993 446 S CB -0.436 62.823 63.200 0.098 0.000 0.859 446 S HN 0.768 nan 8.310 nan 0.000 0.453 447 A N 1.182 124.044 122.820 0.071 0.000 1.978 447 A HA -0.054 4.262 4.320 -0.006 0.000 0.220 447 A C 2.024 179.643 177.584 0.059 0.000 1.170 447 A CA 1.168 53.239 52.037 0.056 0.000 0.636 447 A CB -0.651 18.376 19.000 0.046 0.000 0.810 447 A HN 0.505 nan 8.150 nan 0.000 0.448 448 I N -1.226 119.392 120.570 0.080 0.000 2.333 448 I HA -0.153 4.014 4.170 -0.006 0.000 0.246 448 I C 2.348 178.502 176.117 0.062 0.000 1.106 448 I CA 0.743 62.092 61.300 0.081 0.000 1.411 448 I CB -0.171 37.905 38.000 0.126 0.000 1.082 448 I HN 0.374 nan 8.210 nan 0.000 0.420 449 L N 1.430 122.693 121.223 0.067 0.000 2.017 449 L HA -0.122 4.215 4.340 -0.006 0.000 0.208 449 L C 2.429 179.323 176.870 0.040 0.000 1.073 449 L CA 2.145 57.017 54.840 0.053 0.000 0.745 449 L CB -0.745 41.350 42.059 0.061 0.000 0.894 449 L HN 0.179 nan 8.230 nan 0.000 0.432 450 A N -1.153 121.692 122.820 0.041 0.000 2.216 450 A HA -0.079 4.237 4.320 -0.006 0.000 0.214 450 A C 2.269 179.863 177.584 0.017 0.000 1.160 450 A CA 0.916 52.969 52.037 0.026 0.000 0.725 450 A CB -0.473 18.543 19.000 0.027 0.000 0.784 450 A HN 0.464 nan 8.150 nan 0.000 0.472 451 R N -1.416 119.096 120.500 0.019 0.000 2.146 451 R HA 0.019 4.355 4.340 -0.006 0.000 0.206 451 R C 1.831 178.133 176.300 0.004 0.000 1.049 451 R CA 1.489 57.594 56.100 0.008 0.000 1.029 451 R CB -0.562 29.743 30.300 0.009 0.000 0.949 451 R HN 0.508 nan 8.270 nan 0.000 0.471 452 T N 1.957 116.518 114.554 0.011 0.000 2.857 452 T HA -0.071 4.275 4.350 -0.006 0.000 0.266 452 T C 1.796 176.501 174.700 0.009 0.000 1.048 452 T CA 0.656 62.761 62.100 0.009 0.000 1.139 452 T CB -0.109 68.767 68.868 0.013 0.000 0.874 452 T HN -0.023 nan 8.240 nan 0.000 0.455 453 L N 1.219 122.450 121.223 0.013 0.000 2.093 453 L HA 0.209 4.546 4.340 -0.006 0.000 0.208 453 L C 2.624 179.497 176.870 0.006 0.000 1.085 453 L CA 1.272 56.119 54.840 0.011 0.000 0.755 453 L CB -0.880 41.188 42.059 0.015 0.000 0.904 453 L HN 0.246 nan 8.230 nan 0.000 0.435 454 A N -1.246 121.576 122.820 0.004 0.000 1.929 454 A HA -0.179 4.138 4.320 -0.006 0.000 0.216 454 A C 2.311 179.894 177.584 -0.001 0.000 1.176 454 A CA 1.365 53.402 52.037 -0.000 0.000 0.628 454 A CB -0.379 18.620 19.000 -0.002 0.000 0.816 454 A HN 0.371 nan 8.150 nan 0.000 0.444 455 K N -0.721 119.679 120.400 -0.001 0.000 2.283 455 K HA -0.124 4.192 4.320 -0.006 0.000 0.202 455 K C 2.140 178.743 176.600 0.005 0.000 1.048 455 K CA 1.211 57.498 56.287 -0.001 0.000 0.948 455 K CB -0.055 32.441 32.500 -0.007 0.000 0.742 455 K HN 0.634 nan 8.250 nan 0.000 0.458 456 Q N 0.460 120.263 119.800 0.006 0.000 2.297 456 Q HA -0.119 4.218 4.340 -0.006 0.000 0.204 456 Q C 1.214 177.219 176.000 0.008 0.000 0.962 456 Q CA 1.095 56.904 55.803 0.009 0.000 0.879 456 Q CB 0.376 29.119 28.738 0.009 0.000 0.947 456 Q HN 0.324 nan 8.270 nan 0.000 0.462 457 E N -0.795 119.409 120.200 0.006 0.000 2.132 457 E HA 0.030 4.376 4.350 -0.006 0.000 0.193 457 E C 1.793 178.395 176.600 0.005 0.000 0.951 457 E CA 0.515 56.918 56.400 0.005 0.000 0.843 457 E CB 0.059 29.760 29.700 0.002 0.000 0.807 457 E HN 0.324 nan 8.360 nan 0.000 0.467 458 A N 2.158 124.980 122.820 0.004 0.000 2.076 458 A HA -0.198 4.118 4.320 -0.006 0.000 0.220 458 A C 1.466 179.054 177.584 0.007 0.000 1.160 458 A CA 1.320 53.359 52.037 0.004 0.000 0.653 458 A CB -0.597 18.403 19.000 0.001 0.000 0.801 458 A HN 0.349 nan 8.150 nan 0.000 0.455 459 E N -0.037 120.169 120.200 0.009 0.000 2.364 459 E HA 0.337 4.684 4.350 -0.006 0.000 0.270 459 E C -0.158 176.449 176.600 0.011 0.000 1.398 459 E CA -0.332 56.076 56.400 0.013 0.000 1.721 459 E CB -0.101 29.610 29.700 0.018 0.000 1.525 459 E HN 0.661 nan 8.360 nan 0.000 0.446 460 Q N 0.000 119.805 119.800 0.009 0.000 2.315 460 Q HA 0.000 4.336 4.340 -0.006 0.000 0.214 460 Q CA 0.000 55.808 55.803 0.008 0.000 1.022 460 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481