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 2ht3_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 QFTGGKPLLS 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 0.000 176.289 176.300 -0.018 0.000 0.893 17 R CA 0.000 56.091 56.100 -0.016 0.000 0.921 17 R CB 0.000 30.291 30.300 -0.014 0.000 0.687 18 R N 1.345 121.836 120.500 -0.016 0.000 2.133 18 R HA -0.152 4.184 4.340 -0.007 0.000 0.247 18 R C 1.932 178.223 176.300 -0.015 0.000 1.151 18 R CA 2.260 58.350 56.100 -0.015 0.000 0.971 18 R CB -0.280 30.013 30.300 -0.012 0.000 0.866 18 R HN 0.292 nan 8.270 nan 0.000 0.447 19 R N 0.899 121.391 120.500 -0.013 0.000 2.133 19 R HA -0.216 4.120 4.340 -0.007 0.000 0.247 19 R C 2.414 178.706 176.300 -0.015 0.000 1.151 19 R CA 2.306 58.399 56.100 -0.012 0.000 0.971 19 R CB -0.394 29.900 30.300 -0.011 0.000 0.866 19 R HN 0.508 nan 8.270 nan 0.000 0.447 20 Q N -0.379 119.410 119.800 -0.018 0.000 2.020 20 Q HA -0.187 4.148 4.340 -0.007 0.000 0.202 20 Q C 1.991 177.976 176.000 -0.024 0.000 0.982 20 Q CA 1.754 57.544 55.803 -0.022 0.000 0.838 20 Q CB -0.219 28.502 28.738 -0.028 0.000 0.899 20 Q HN 0.373 nan 8.270 nan 0.000 0.423 21 L N 1.248 122.456 121.223 -0.026 0.000 1.997 21 L HA -0.263 4.073 4.340 -0.007 0.000 0.216 21 L C 2.116 178.975 176.870 -0.019 0.000 1.074 21 L CA 1.731 56.556 54.840 -0.025 0.000 0.763 21 L CB -0.778 41.267 42.059 -0.024 0.000 0.890 21 L HN 0.334 nan 8.230 nan 0.000 0.434 22 I N -0.244 120.317 120.570 -0.015 0.000 2.185 22 I HA -0.306 3.860 4.170 -0.007 0.000 0.246 22 I C 2.688 178.798 176.117 -0.011 0.000 1.088 22 I CA 1.904 63.197 61.300 -0.011 0.000 1.347 22 I CB -1.794 36.201 38.000 -0.010 0.000 1.041 22 I HN 0.431 nan 8.210 nan 0.000 0.415 23 R N 1.388 121.881 120.500 -0.012 0.000 2.075 23 R HA -0.139 4.196 4.340 -0.007 0.000 0.232 23 R C 2.202 178.496 176.300 -0.011 0.000 1.126 23 R CA 1.452 57.545 56.100 -0.011 0.000 0.963 23 R CB -0.481 29.812 30.300 -0.012 0.000 0.858 23 R HN 0.430 nan 8.270 nan 0.000 0.435 24 Q N -0.072 119.719 119.800 -0.015 0.000 2.079 24 Q HA -0.055 4.280 4.340 -0.007 0.000 0.200 24 Q C 2.131 178.126 176.000 -0.008 0.000 0.974 24 Q CA 1.762 57.557 55.803 -0.014 0.000 0.840 24 Q CB -0.095 28.628 28.738 -0.025 0.000 0.898 24 Q HN 0.340 nan 8.270 nan 0.000 0.430 25 L N 0.066 121.283 121.223 -0.009 0.000 2.141 25 L HA -0.174 4.162 4.340 -0.007 0.000 0.209 25 L C 1.957 178.824 176.870 -0.005 0.000 1.094 25 L CA 0.739 55.575 54.840 -0.006 0.000 0.763 25 L CB -0.240 41.814 42.059 -0.008 0.000 0.908 25 L HN 0.222 nan 8.230 nan 0.000 0.437 26 L N -0.734 120.485 121.223 -0.005 0.000 2.465 26 L HA -0.090 4.246 4.340 -0.007 0.000 0.224 26 L C 2.037 178.906 176.870 -0.002 0.000 1.145 26 L CA 0.515 55.352 54.840 -0.004 0.000 0.834 26 L CB -0.183 41.873 42.059 -0.004 0.000 0.944 26 L HN 0.178 nan 8.230 nan 0.000 0.451 27 E N -0.796 119.403 120.200 -0.001 0.000 2.447 27 E HA 0.100 4.445 4.350 -0.007 0.000 0.204 27 E C 0.707 177.310 176.600 0.005 0.000 0.977 27 E CA -0.042 56.359 56.400 0.002 0.000 0.950 27 E CB 0.143 29.845 29.700 0.002 0.000 0.975 27 E HN 0.248 nan 8.360 nan 0.000 0.496 28 R N 1.987 122.490 120.500 0.005 0.000 2.697 28 R HA -0.092 4.244 4.340 -0.007 0.000 0.265 28 R C -0.395 175.908 176.300 0.004 0.000 1.009 28 R CA 0.534 56.640 56.100 0.009 0.000 1.099 28 R CB 0.109 30.412 30.300 0.006 0.000 0.965 28 R HN -0.117 nan 8.270 nan 0.000 0.428 29 D N 1.863 122.266 120.400 0.005 0.000 3.003 29 D HA -0.183 4.453 4.640 -0.007 0.000 0.223 29 D C -1.207 175.094 176.300 0.001 0.000 1.204 29 D CA 1.400 55.398 54.000 -0.002 0.000 0.828 29 D CB -0.323 40.467 40.800 -0.017 0.000 0.918 29 D HN 0.539 nan 8.370 nan 0.000 0.401 30 K N 0.996 121.400 120.400 0.008 0.000 3.350 30 K HA 0.172 4.488 4.320 -0.007 0.000 0.167 30 K C -0.635 175.974 176.600 0.015 0.000 1.058 30 K CA -0.406 55.888 56.287 0.010 0.000 0.783 30 K CB 0.688 33.194 32.500 0.009 0.000 0.872 30 K HN 0.204 nan 8.250 nan 0.000 0.561 31 T N 2.736 117.299 114.554 0.015 0.000 2.866 31 T HA 0.040 4.386 4.350 -0.007 0.000 0.293 31 T C -2.111 172.603 174.700 0.024 0.000 1.005 31 T CA -0.948 61.163 62.100 0.019 0.000 1.162 31 T CB -0.056 68.823 68.868 0.018 0.000 0.968 31 T HN 0.177 nan 8.240 nan 0.000 0.530 32 P HA 0.060 nan 4.420 nan 0.000 0.262 32 P C 1.135 178.457 177.300 0.037 0.000 1.199 32 P CA -0.274 62.842 63.100 0.026 0.000 0.763 32 P CB 0.545 32.259 31.700 0.024 0.000 0.790 33 L N 3.846 125.091 121.223 0.038 0.000 2.085 33 L HA -0.346 3.990 4.340 -0.007 0.000 0.218 33 L C 2.214 179.135 176.870 0.085 0.000 1.080 33 L CA 2.364 57.237 54.840 0.056 0.000 0.776 33 L CB -0.563 41.519 42.059 0.039 0.000 0.891 33 L HN 0.437 nan 8.230 nan 0.000 0.437 34 A N -0.642 122.217 122.820 0.066 0.000 1.972 34 A HA -0.186 4.130 4.320 -0.007 0.000 0.219 34 A C 1.934 179.576 177.584 0.096 0.000 1.169 34 A CA 1.885 53.974 52.037 0.087 0.000 0.635 34 A CB -0.628 18.408 19.000 0.060 0.000 0.810 34 A HN 0.483 nan 8.150 nan 0.000 0.446 35 I N -0.263 120.345 120.570 0.064 0.000 2.500 35 I HA -0.130 4.036 4.170 -0.007 0.000 0.252 35 I C 2.281 178.422 176.117 0.040 0.000 1.142 35 I CA 0.651 61.976 61.300 0.042 0.000 1.451 35 I CB -0.294 37.722 38.000 0.026 0.000 1.093 35 I HN 0.260 nan 8.210 nan 0.000 0.430 36 L N -0.987 120.273 121.223 0.062 0.000 1.976 36 L HA -0.228 4.108 4.340 -0.007 0.000 0.209 36 L C 2.516 179.422 176.870 0.059 0.000 1.071 36 L CA 1.636 56.511 54.840 0.058 0.000 0.746 36 L CB -0.806 41.298 42.059 0.075 0.000 0.890 36 L HN 0.174 nan 8.230 nan 0.000 0.432 37 F N 0.179 120.117 119.950 -0.020 0.000 2.192 37 F HA -0.269 4.254 4.527 -0.007 0.000 0.301 37 F C 2.496 178.255 175.800 -0.067 0.000 1.079 37 F CA 1.387 59.369 58.000 -0.030 0.000 1.303 37 F CB 0.019 39.011 39.000 -0.013 0.000 1.024 37 F HN 0.048 nan 8.300 nan 0.000 0.494 38 M N -0.624 118.983 119.600 0.012 0.000 2.349 38 M HA 0.045 4.521 4.480 -0.007 0.000 0.266 38 M C 2.462 178.657 176.300 -0.174 0.000 1.076 38 M CA 1.141 56.365 55.300 -0.126 0.000 1.126 38 M CB -1.826 30.712 32.600 -0.103 0.000 1.392 38 M HN 0.223 nan 8.290 nan 0.000 0.440 39 A N 0.444 123.191 122.820 -0.122 0.000 1.902 39 A HA 0.006 4.322 4.320 -0.007 0.000 0.217 39 A C 2.409 179.893 177.584 -0.167 0.000 1.181 39 A CA 1.978 53.946 52.037 -0.116 0.000 0.623 39 A CB -0.899 18.065 19.000 -0.060 0.000 0.818 39 A HN 0.442 nan 8.150 nan 0.000 0.443 40 A N -0.744 121.941 122.820 -0.225 0.000 2.024 40 A HA 0.003 4.319 4.320 -0.007 0.000 0.220 40 A C 2.218 179.615 177.584 -0.311 0.000 1.164 40 A CA 1.846 53.712 52.037 -0.285 0.000 0.643 40 A CB -0.722 18.042 19.000 -0.393 0.000 0.806 40 A HN 0.359 nan 8.150 nan 0.000 0.451 41 V N -0.846 118.860 119.914 -0.346 0.000 2.302 41 V HA -0.177 3.939 4.120 -0.007 0.000 0.243 41 V C 2.563 178.518 176.094 -0.231 0.000 1.036 41 V CA 1.764 63.885 62.300 -0.298 0.000 1.020 41 V CB -0.569 31.051 31.823 -0.338 0.000 0.657 41 V HN 0.352 nan 8.190 nan 0.000 0.453 42 V N 0.923 120.704 119.914 -0.222 0.000 2.324 42 V HA -0.262 3.854 4.120 -0.007 0.000 0.250 42 V C 2.563 178.566 176.094 -0.152 0.000 1.060 42 V CA 2.289 64.479 62.300 -0.183 0.000 1.042 42 V CB -1.534 30.190 31.823 -0.164 0.000 0.650 42 V HN 0.636 nan 8.190 nan 0.000 0.450 43 G N 0.359 109.070 108.800 -0.148 0.000 2.628 43 G HA2 -0.335 3.621 3.960 -0.007 0.000 0.217 43 G HA3 -0.335 3.621 3.960 -0.007 0.000 0.217 43 G C 1.685 176.508 174.900 -0.129 0.000 1.240 43 G CA 2.006 47.028 45.100 -0.130 0.000 0.792 43 G HN 0.505 nan 8.290 nan 0.000 0.593 44 T N 1.776 116.245 114.554 -0.143 0.000 2.665 44 T HA -0.134 4.212 4.350 -0.007 0.000 0.268 44 T C 2.429 177.056 174.700 -0.121 0.000 1.035 44 T CA 1.454 63.475 62.100 -0.132 0.000 1.151 44 T CB -0.391 68.397 68.868 -0.133 0.000 0.862 44 T HN 0.211 nan 8.240 nan 0.000 0.438 45 L N 0.948 122.096 121.223 -0.125 0.000 2.017 45 L HA -0.082 4.254 4.340 -0.007 0.000 0.208 45 L C 2.818 179.629 176.870 -0.099 0.000 1.073 45 L CA 1.119 55.892 54.840 -0.112 0.000 0.745 45 L CB -1.188 40.794 42.059 -0.128 0.000 0.894 45 L HN 0.175 nan 8.230 nan 0.000 0.432 46 V N 0.532 120.383 119.914 -0.104 0.000 2.407 46 V HA -0.154 3.961 4.120 -0.007 0.000 0.248 46 V C 2.680 178.733 176.094 -0.069 0.000 1.055 46 V CA 1.724 63.972 62.300 -0.087 0.000 1.049 46 V CB -1.560 30.207 31.823 -0.093 0.000 0.662 46 V HN 0.542 nan 8.190 nan 0.000 0.455 47 G N 0.738 109.490 108.800 -0.081 0.000 2.639 47 G HA2 -0.258 3.698 3.960 -0.007 0.000 0.216 47 G HA3 -0.258 3.698 3.960 -0.007 0.000 0.216 47 G C 1.528 176.384 174.900 -0.074 0.000 1.267 47 G CA 1.346 46.401 45.100 -0.075 0.000 0.801 47 G HN 0.440 nan 8.290 nan 0.000 0.592 48 L N 0.915 122.068 121.223 -0.118 0.000 2.064 48 L HA -0.254 4.082 4.340 -0.007 0.000 0.216 48 L C 3.437 180.313 176.870 0.009 0.000 1.077 48 L CA 1.480 56.254 54.840 -0.110 0.000 0.766 48 L CB -0.604 41.401 42.059 -0.091 0.000 0.890 48 L HN 0.357 nan 8.230 nan 0.000 0.435 49 A N -0.301 122.531 122.820 0.019 0.000 1.933 49 A HA -0.144 4.172 4.320 -0.007 0.000 0.218 49 A C 2.530 180.250 177.584 0.226 0.000 1.175 49 A CA 1.780 53.877 52.037 0.099 0.000 0.628 49 A CB -0.622 18.392 19.000 0.024 0.000 0.814 49 A HN 0.442 nan 8.150 nan 0.000 0.444 50 A N -0.407 122.494 122.820 0.135 0.000 1.855 50 A HA 0.009 4.325 4.320 -0.007 0.000 0.215 50 A C 2.205 179.941 177.584 0.254 0.000 1.191 50 A CA 1.742 53.883 52.037 0.172 0.000 0.613 50 A CB -1.137 17.913 19.000 0.083 0.000 0.829 50 A HN 0.438 nan 8.150 nan 0.000 0.442 51 V N 0.273 120.305 119.914 0.196 0.000 2.278 51 V HA -0.357 3.759 4.120 -0.007 0.000 0.251 51 V C 3.033 179.277 176.094 0.249 0.000 1.062 51 V CA 2.293 64.716 62.300 0.204 0.000 1.038 51 V CB -1.600 30.288 31.823 0.107 0.000 0.646 51 V HN 0.659 nan 8.190 nan 0.000 0.447 52 A N -0.099 122.889 122.820 0.280 0.000 1.842 52 A HA -0.309 4.007 4.320 -0.007 0.000 0.217 52 A C 2.120 179.912 177.584 0.346 0.000 1.206 52 A CA 2.355 54.599 52.037 0.345 0.000 0.630 52 A CB -1.012 18.231 19.000 0.405 0.000 0.839 52 A HN 0.535 nan 8.150 nan 0.000 0.447 53 F N 1.037 121.114 119.950 0.212 0.000 2.184 53 F HA -0.252 4.271 4.527 -0.007 0.000 0.301 53 F C 1.829 177.571 175.800 -0.096 0.000 1.076 53 F CA 2.235 60.112 58.000 -0.204 0.000 1.295 53 F CB -0.206 38.664 39.000 -0.216 0.000 1.026 53 F HN 0.399 nan 8.300 nan 0.000 0.494 54 D N 0.061 120.500 120.400 0.064 0.000 2.107 54 D HA -0.136 4.500 4.640 -0.007 0.000 0.204 54 D C 2.102 178.395 176.300 -0.013 0.000 0.978 54 D CA 1.334 55.348 54.000 0.024 0.000 0.852 54 D CB -0.113 40.792 40.800 0.175 0.000 1.008 54 D HN 0.065 nan 8.370 nan 0.000 0.458 55 K N 0.506 120.942 120.400 0.059 0.000 2.113 55 K HA -0.096 4.220 4.320 -0.007 0.000 0.208 55 K C 2.122 178.751 176.600 0.048 0.000 1.047 55 K CA 1.108 57.431 56.287 0.061 0.000 0.928 55 K CB -0.895 31.654 32.500 0.081 0.000 0.716 55 K HN 0.287 nan 8.250 nan 0.000 0.446 56 G N 1.548 110.348 108.800 0.000 0.000 2.587 56 G HA2 -0.261 3.695 3.960 -0.007 0.000 0.217 56 G HA3 -0.261 3.695 3.960 -0.007 0.000 0.217 56 G C 1.714 176.595 174.900 -0.033 0.000 1.240 56 G CA 1.295 46.381 45.100 -0.023 0.000 0.794 56 G HN 0.132 nan 8.290 nan 0.000 0.580 57 V N 1.878 121.647 119.914 -0.240 0.000 2.380 57 V HA -0.203 3.913 4.120 -0.007 0.000 0.251 57 V C 3.318 179.380 176.094 -0.054 0.000 1.063 57 V CA 2.171 64.344 62.300 -0.211 0.000 1.055 57 V CB -1.103 30.491 31.823 -0.381 0.000 0.657 57 V HN 0.567 nan 8.190 nan 0.000 0.455 58 A N -0.570 122.242 122.820 -0.013 0.000 1.842 58 A HA -0.326 3.990 4.320 -0.007 0.000 0.217 58 A C 1.937 179.569 177.584 0.081 0.000 1.206 58 A CA 2.247 54.306 52.037 0.037 0.000 0.630 58 A CB -1.288 17.744 19.000 0.054 0.000 0.839 58 A HN 0.695 nan 8.150 nan 0.000 0.447 59 W N 0.284 121.556 121.300 -0.047 0.000 2.274 59 W HA -0.292 4.365 4.660 -0.006 0.000 0.314 59 W C 1.812 178.305 176.519 -0.043 0.000 1.254 59 W CA 2.498 59.821 57.345 -0.038 0.000 1.265 59 W CB -0.469 28.973 29.460 -0.031 0.000 1.141 59 W HN 0.304 nan 8.180 nan 0.000 0.505 60 L N -0.106 121.191 121.223 0.124 0.000 2.056 60 L HA -0.235 4.101 4.340 -0.007 0.000 0.207 60 L C 2.664 179.445 176.870 -0.149 0.000 1.078 60 L CA 1.935 56.749 54.840 -0.043 0.000 0.749 60 L CB -0.979 41.135 42.059 0.091 0.000 0.901 60 L HN 0.032 nan 8.230 nan 0.000 0.433 61 Q N -0.645 119.101 119.800 -0.090 0.000 2.079 61 Q HA -0.210 4.126 4.340 -0.007 0.000 0.200 61 Q C 2.083 178.006 176.000 -0.127 0.000 0.974 61 Q CA 1.600 57.352 55.803 -0.086 0.000 0.840 61 Q CB -0.339 28.375 28.738 -0.039 0.000 0.898 61 Q HN 0.505 nan 8.270 nan 0.000 0.430 62 N N 0.140 118.750 118.700 -0.149 0.000 2.061 62 N HA -0.258 4.478 4.740 -0.007 0.000 0.193 62 N C 1.576 176.912 175.510 -0.290 0.000 1.030 62 N CA 1.359 54.297 53.050 -0.187 0.000 0.856 62 N CB 0.107 38.490 38.487 -0.172 0.000 1.023 62 N HN 0.205 nan 8.380 nan 0.000 0.424 63 Q N 0.869 120.377 119.800 -0.486 0.000 2.061 63 Q HA -0.060 4.276 4.340 -0.007 0.000 0.204 63 Q C 2.167 177.979 176.000 -0.313 0.000 0.984 63 Q CA 1.159 56.649 55.803 -0.522 0.000 0.846 63 Q CB -0.604 27.656 28.738 -0.798 0.000 0.902 63 Q HN 0.494 nan 8.270 nan 0.000 0.421 64 R N -0.441 119.908 120.500 -0.253 0.000 2.193 64 R HA -0.101 4.234 4.340 -0.007 0.000 0.229 64 R C 2.068 178.273 176.300 -0.158 0.000 1.110 64 R CA 0.990 56.984 56.100 -0.176 0.000 0.988 64 R CB -0.157 30.062 30.300 -0.134 0.000 0.871 64 R HN 0.184 nan 8.270 nan 0.000 0.458 65 M N -0.364 119.147 119.600 -0.149 0.000 2.074 65 M HA 0.032 4.508 4.480 -0.007 0.000 0.258 65 M C 2.148 178.381 176.300 -0.111 0.000 1.083 65 M CA 1.946 57.178 55.300 -0.113 0.000 1.128 65 M CB -0.911 31.638 32.600 -0.084 0.000 1.301 65 M HN 0.107 nan 8.290 nan 0.000 0.417 66 G N -0.698 108.030 108.800 -0.120 0.000 2.562 66 G HA2 -0.205 3.751 3.960 -0.007 0.000 0.223 66 G HA3 -0.205 3.751 3.960 -0.007 0.000 0.223 66 G C 1.392 176.243 174.900 -0.082 0.000 1.102 66 G CA 1.227 46.269 45.100 -0.096 0.000 0.742 66 G HN 0.690 nan 8.290 nan 0.000 0.587 67 A N -0.274 122.475 122.820 -0.118 0.000 2.081 67 A HA 0.406 4.722 4.320 -0.007 0.000 0.214 67 A C 2.227 179.760 177.584 -0.085 0.000 1.158 67 A CA 0.376 52.352 52.037 -0.102 0.000 0.724 67 A CB -0.050 18.868 19.000 -0.136 0.000 0.826 67 A HN 0.348 nan 8.150 nan 0.000 0.463 68 L N -1.037 120.108 121.223 -0.130 0.000 2.375 68 L HA -0.003 4.333 4.340 -0.007 0.000 0.215 68 L C 2.274 179.081 176.870 -0.104 0.000 1.108 68 L CA 0.297 55.027 54.840 -0.184 0.000 0.830 68 L CB -0.167 41.681 42.059 -0.353 0.000 0.959 68 L HN 0.236 nan 8.230 nan 0.000 0.457 69 V N -0.286 119.599 119.914 -0.050 0.000 2.307 69 V HA -0.318 3.797 4.120 -0.007 0.000 0.245 69 V C 2.403 178.507 176.094 0.016 0.000 1.045 69 V CA 1.884 64.179 62.300 -0.009 0.000 1.024 69 V CB -0.363 31.459 31.823 -0.000 0.000 0.651 69 V HN 0.479 nan 8.190 nan 0.000 0.449 70 H N 0.639 119.674 119.070 -0.059 0.000 2.387 70 H HA -0.131 4.421 4.556 -0.007 0.000 0.299 70 H C 2.017 177.320 175.328 -0.042 0.000 1.099 70 H CA 1.930 57.950 56.048 -0.046 0.000 1.315 70 H CB -0.032 29.699 29.762 -0.052 0.000 1.380 70 H HN 0.579 nan 8.280 nan 0.000 0.513 71 T N -2.536 112.037 114.554 0.031 0.000 3.312 71 T HA 0.388 4.734 4.350 -0.007 0.000 0.251 71 T C 1.853 176.537 174.700 -0.028 0.000 1.012 71 T CA 0.198 62.289 62.100 -0.014 0.000 0.925 71 T CB -0.224 68.634 68.868 -0.017 0.000 1.049 71 T HN 0.419 nan 8.240 nan 0.000 0.583 72 A N 2.593 125.396 122.820 -0.029 0.000 2.009 72 A HA -0.213 4.103 4.320 -0.007 0.000 0.222 72 A C 1.959 179.563 177.584 0.034 0.000 1.175 72 A CA 1.970 54.009 52.037 0.002 0.000 0.651 72 A CB -0.650 18.345 19.000 -0.008 0.000 0.815 72 A HN 0.874 nan 8.150 nan 0.000 0.459 73 D N -0.128 120.283 120.400 0.018 0.000 1.821 73 D HA -0.146 4.490 4.640 -0.007 0.000 0.307 73 D C 0.669 177.017 176.300 0.079 0.000 1.054 73 D CA 0.223 54.246 54.000 0.038 0.000 0.832 73 D CB -1.410 39.397 40.800 0.011 0.000 1.150 73 D HN 0.379 nan 8.370 nan 0.000 0.407 74 N N 0.089 118.827 118.700 0.064 0.000 1.801 74 N HA -0.242 4.494 4.740 -0.007 0.000 0.315 74 N C 0.280 175.858 175.510 0.114 0.000 1.326 74 N CA 0.094 53.193 53.050 0.081 0.000 0.840 74 N CB -0.028 38.483 38.487 0.040 0.000 1.126 74 N HN 0.303 nan 8.380 nan 0.000 0.499 75 Y N 6.198 126.523 120.300 0.041 0.000 2.109 75 Y HA 0.024 4.570 4.550 -0.006 0.000 0.281 75 Y C -0.966 174.973 175.900 0.064 0.000 1.113 75 Y CA 1.363 59.503 58.100 0.067 0.000 1.098 75 Y CB -0.862 37.638 38.460 0.066 0.000 0.996 75 Y HN 0.582 nan 8.280 nan 0.000 0.485 76 P HA -0.233 nan 4.420 nan 0.000 0.217 76 P C 1.709 178.979 177.300 -0.050 0.000 1.148 76 P CA 1.783 64.894 63.100 0.019 0.000 0.834 76 P CB -0.251 31.498 31.700 0.083 0.000 0.783 77 L N -1.284 119.922 121.223 -0.028 0.000 2.017 77 L HA -0.156 4.180 4.340 -0.007 0.000 0.208 77 L C 2.213 179.036 176.870 -0.078 0.000 1.073 77 L CA 1.755 56.572 54.840 -0.038 0.000 0.745 77 L CB -1.367 40.683 42.059 -0.015 0.000 0.894 77 L HN -0.117 nan 8.230 nan 0.000 0.432 78 L N -0.910 120.239 121.223 -0.123 0.000 1.978 78 L HA -0.309 4.027 4.340 -0.007 0.000 0.218 78 L C 2.630 179.380 176.870 -0.199 0.000 1.075 78 L CA 2.029 56.752 54.840 -0.195 0.000 0.767 78 L CB -0.594 41.322 42.059 -0.238 0.000 0.890 78 L HN 0.370 nan 8.230 nan 0.000 0.434 79 L N -1.188 119.906 121.223 -0.215 0.000 2.013 79 L HA -0.293 4.043 4.340 -0.007 0.000 0.212 79 L C 2.564 179.433 176.870 -0.001 0.000 1.073 79 L CA 1.961 56.748 54.840 -0.087 0.000 0.753 79 L CB -1.301 40.692 42.059 -0.110 0.000 0.890 79 L HN 0.364 nan 8.230 nan 0.000 0.432 80 T N -0.008 114.526 114.554 -0.034 0.000 2.570 80 T HA -0.258 4.088 4.350 -0.007 0.000 0.266 80 T C 1.906 176.640 174.700 0.057 0.000 1.071 80 T CA 2.124 64.223 62.100 -0.003 0.000 1.172 80 T CB -0.498 68.347 68.868 -0.039 0.000 0.864 80 T HN 0.319 nan 8.240 nan 0.000 0.421 81 V N 1.618 121.530 119.914 -0.004 0.000 2.380 81 V HA -0.167 3.949 4.120 -0.007 0.000 0.251 81 V C 2.517 178.601 176.094 -0.017 0.000 1.063 81 V CA 2.239 64.530 62.300 -0.014 0.000 1.055 81 V CB -1.254 30.535 31.823 -0.057 0.000 0.657 81 V HN 0.532 nan 8.190 nan 0.000 0.455 82 A N -0.378 122.413 122.820 -0.049 0.000 1.883 82 A HA -0.191 4.125 4.320 -0.007 0.000 0.217 82 A C 2.151 179.768 177.584 0.054 0.000 1.186 82 A CA 2.180 54.192 52.037 -0.041 0.000 0.624 82 A CB -0.994 17.966 19.000 -0.067 0.000 0.822 82 A HN 0.809 nan 8.150 nan 0.000 0.444 83 F N 0.418 120.353 119.950 -0.025 0.000 2.113 83 F HA -0.096 4.426 4.527 -0.008 0.000 0.297 83 F C 1.935 177.734 175.800 -0.002 0.000 1.103 83 F CA 1.668 59.668 58.000 -0.000 0.000 1.248 83 F CB -0.339 38.662 39.000 0.003 0.000 0.999 83 F HN 0.137 nan 8.300 nan 0.000 0.475 84 L N -0.729 120.712 121.223 0.364 0.000 2.005 84 L HA -0.277 4.059 4.340 -0.007 0.000 0.207 84 L C 2.705 179.606 176.870 0.051 0.000 1.072 84 L CA 1.509 56.507 54.840 0.264 0.000 0.744 84 L CB -1.102 41.081 42.059 0.206 0.000 0.895 84 L HN 0.262 nan 8.230 nan 0.000 0.433 85 C N -0.720 118.587 119.300 0.013 0.000 2.391 85 C HA -0.211 4.245 4.460 -0.007 0.000 0.276 85 C C 3.162 178.130 174.990 -0.037 0.000 1.217 85 C CA 1.390 60.394 59.018 -0.024 0.000 1.766 85 C CB -0.834 26.877 27.740 -0.049 0.000 2.046 85 C HN 0.516 nan 8.230 nan 0.000 0.475 86 S N 0.303 115.958 115.700 -0.075 0.000 2.371 86 S HA -0.022 4.444 4.470 -0.007 0.000 0.224 86 S C 2.207 176.744 174.600 -0.105 0.000 1.029 86 S CA 1.114 59.262 58.200 -0.086 0.000 0.978 86 S CB -0.450 62.686 63.200 -0.107 0.000 0.833 86 S HN 0.706 nan 8.310 nan 0.000 0.466 87 A N 1.166 123.852 122.820 -0.223 0.000 1.908 87 A HA -0.089 4.226 4.320 -0.007 0.000 0.218 87 A C 2.316 179.895 177.584 -0.008 0.000 1.181 87 A CA 1.658 53.583 52.037 -0.186 0.000 0.627 87 A CB -0.953 17.885 19.000 -0.269 0.000 0.818 87 A HN 0.346 nan 8.150 nan 0.000 0.445 88 V N -0.125 119.799 119.914 0.017 0.000 2.358 88 V HA -0.211 3.905 4.120 -0.007 0.000 0.246 88 V C 2.535 178.697 176.094 0.113 0.000 1.047 88 V CA 1.844 64.182 62.300 0.063 0.000 1.035 88 V CB -0.580 31.264 31.823 0.035 0.000 0.658 88 V HN 0.567 nan 8.190 nan 0.000 0.452 89 L N -0.391 120.887 121.223 0.091 0.000 2.109 89 L HA -0.088 4.248 4.340 -0.007 0.000 0.207 89 L C 2.696 179.702 176.870 0.226 0.000 1.086 89 L CA 1.173 56.105 54.840 0.153 0.000 0.760 89 L CB -0.785 41.328 42.059 0.088 0.000 0.910 89 L HN 0.367 nan 8.230 nan 0.000 0.437 90 A N 0.628 123.553 122.820 0.176 0.000 1.842 90 A HA -0.298 4.018 4.320 -0.007 0.000 0.217 90 A C 2.296 180.109 177.584 0.382 0.000 1.206 90 A CA 2.150 54.341 52.037 0.256 0.000 0.630 90 A CB -0.692 18.438 19.000 0.217 0.000 0.839 90 A HN 0.300 nan 8.150 nan 0.000 0.447 91 M N -1.861 117.926 119.600 0.312 0.000 2.113 91 M HA -0.220 4.256 4.480 -0.007 0.000 0.255 91 M C 2.215 178.735 176.300 0.366 0.000 1.073 91 M CA 2.479 57.965 55.300 0.310 0.000 1.091 91 M CB -0.769 31.950 32.600 0.199 0.000 1.309 91 M HN 0.559 nan 8.290 nan 0.000 0.407 92 F N 0.849 120.926 119.950 0.211 0.000 2.147 92 F HA -0.214 4.309 4.527 -0.007 0.000 0.301 92 F C 2.045 177.993 175.800 0.247 0.000 1.084 92 F CA 1.781 59.930 58.000 0.250 0.000 1.268 92 F CB -0.350 38.750 39.000 0.167 0.000 1.009 92 F HN 0.099 nan 8.300 nan 0.000 0.486 93 G N -1.486 107.323 108.800 0.014 0.000 2.411 93 G HA2 -0.204 3.752 3.960 -0.007 0.000 0.213 93 G HA3 -0.204 3.752 3.960 -0.007 0.000 0.213 93 G C 1.239 176.003 174.900 -0.226 0.000 1.166 93 G CA 0.573 45.559 45.100 -0.189 0.000 0.802 93 G HN 0.430 nan 8.290 nan 0.000 0.533 94 Y N 0.208 120.465 120.300 -0.071 0.000 2.081 94 Y HA -0.182 4.364 4.550 -0.007 0.000 0.280 94 Y C 2.409 178.203 175.900 -0.178 0.000 1.163 94 Y CA 1.930 59.951 58.100 -0.131 0.000 1.135 94 Y CB -0.638 37.794 38.460 -0.048 0.000 0.970 94 Y HN 0.252 nan 8.280 nan 0.000 0.498 95 F N 0.032 119.976 119.950 -0.010 0.000 2.000 95 F HA -0.316 4.206 4.527 -0.007 0.000 0.296 95 F C 2.252 177.937 175.800 -0.191 0.000 1.159 95 F CA 1.552 59.492 58.000 -0.100 0.000 1.183 95 F CB -0.835 38.146 39.000 -0.032 0.000 0.959 95 F HN -0.058 nan 8.300 nan 0.000 0.490 96 L N 0.284 120.992 121.223 -0.859 0.000 2.256 96 L HA -0.293 4.043 4.340 -0.007 0.000 0.218 96 L C 2.219 178.783 176.870 -0.509 0.000 1.089 96 L CA 1.702 56.068 54.840 -0.791 0.000 0.777 96 L CB -0.815 40.902 42.059 -0.569 0.000 0.890 96 L HN 0.311 nan 8.230 nan 0.000 0.439 97 V N -1.000 118.644 119.914 -0.449 0.000 2.436 97 V HA -0.090 4.026 4.120 -0.007 0.000 0.240 97 V C 2.454 178.307 176.094 -0.402 0.000 1.040 97 V CA 0.783 62.862 62.300 -0.370 0.000 1.052 97 V CB -0.244 31.363 31.823 -0.360 0.000 0.707 97 V HN 0.381 nan 8.190 nan 0.000 0.469 98 R N 0.413 120.644 120.500 -0.448 0.000 2.152 98 R HA -0.138 4.198 4.340 -0.007 0.000 0.232 98 R C 1.920 178.006 176.300 -0.357 0.000 1.117 98 R CA 1.101 56.947 56.100 -0.423 0.000 0.981 98 R CB -0.347 29.705 30.300 -0.415 0.000 0.870 98 R HN 0.393 nan 8.270 nan 0.000 0.451 99 K N 0.520 120.607 120.400 -0.522 0.000 2.049 99 K HA -0.037 4.279 4.320 -0.007 0.000 0.214 99 K C 1.475 177.714 176.600 -0.600 0.000 1.026 99 K CA 1.107 56.973 56.287 -0.702 0.000 0.954 99 K CB -0.339 31.366 32.500 -1.324 0.000 0.838 99 K HN 0.033 nan 8.250 nan 0.000 0.450 100 Y N -0.217 119.916 120.300 -0.279 0.000 2.502 100 Y HA 0.393 4.939 4.550 -0.007 0.000 0.295 100 Y C -0.293 175.497 175.900 -0.183 0.000 1.193 100 Y CA -0.061 57.925 58.100 -0.190 0.000 1.295 100 Y CB 0.478 38.830 38.460 -0.179 0.000 1.059 100 Y HN 0.188 nan 8.280 nan 0.000 0.514 101 A N -0.178 122.574 122.820 -0.113 0.000 1.715 101 A HA 0.289 4.605 4.320 -0.007 0.000 0.273 101 A C -2.691 174.787 177.584 -0.176 0.000 1.136 101 A CA -0.916 51.038 52.037 -0.139 0.000 0.907 101 A CB 0.078 18.986 19.000 -0.153 0.000 1.152 101 A HN -0.044 nan 8.150 nan 0.000 0.375 102 P HA 0.012 nan 4.420 nan 0.000 0.245 102 P C 0.911 178.123 177.300 -0.147 0.000 1.212 102 P CA 0.967 63.956 63.100 -0.186 0.000 0.774 102 P CB 0.179 31.790 31.700 -0.148 0.000 0.999 103 E N -0.077 120.044 120.200 -0.132 0.000 2.250 103 E HA 0.075 4.421 4.350 -0.007 0.000 0.192 103 E C 1.796 178.324 176.600 -0.120 0.000 0.986 103 E CA 0.500 56.834 56.400 -0.109 0.000 0.849 103 E CB -0.746 28.890 29.700 -0.107 0.000 0.797 103 E HN 0.065 nan 8.360 nan 0.000 0.482 104 A N 2.026 124.758 122.820 -0.146 0.000 2.209 104 A HA 0.161 4.477 4.320 -0.007 0.000 0.212 104 A C 1.474 178.958 177.584 -0.167 0.000 1.158 104 A CA 0.512 52.460 52.037 -0.149 0.000 0.742 104 A CB -0.716 18.190 19.000 -0.156 0.000 0.790 104 A HN 0.261 nan 8.150 nan 0.000 0.472 105 G N -1.389 107.298 108.800 -0.189 0.000 2.614 105 G HA2 0.523 4.479 3.960 -0.007 0.000 0.239 105 G HA3 0.523 4.479 3.960 -0.007 0.000 0.239 105 G C 0.813 175.610 174.900 -0.172 0.000 1.240 105 G CA 0.213 45.190 45.100 -0.206 0.000 0.842 105 G HN 1.541 nan 8.290 nan 0.000 0.584 106 G N -0.101 108.565 108.800 -0.223 0.000 2.645 106 G HA2 -0.117 3.839 3.960 -0.007 0.000 0.239 106 G HA3 -0.117 3.839 3.960 -0.007 0.000 0.239 106 G C 1.430 176.270 174.900 -0.101 0.000 1.331 106 G CA 0.767 45.663 45.100 -0.340 0.000 0.890 106 G HN 1.757 nan 8.290 nan 0.000 0.572 107 S N -0.437 115.340 115.700 0.129 0.000 2.353 107 S HA 0.193 4.659 4.470 -0.007 0.000 0.222 107 S C 2.577 177.227 174.600 0.082 0.000 1.035 107 S CA 3.014 61.396 58.200 0.303 0.000 1.025 107 S CB -0.819 62.638 63.200 0.428 0.000 0.902 107 S HN 2.890 nan 8.310 nan 0.000 0.440 108 G N -0.362 108.468 108.800 0.050 0.000 2.157 108 G HA2 -0.206 3.750 3.960 -0.007 0.000 0.239 108 G HA3 -0.206 3.750 3.960 -0.007 0.000 0.239 108 G C 0.584 175.494 174.900 0.016 0.000 0.982 108 G CA 0.475 45.573 45.100 -0.003 0.000 0.650 108 G HN 0.516 nan 8.290 nan 0.000 0.527 109 I N 1.816 122.425 120.570 0.066 0.000 2.193 109 I HA 0.052 4.218 4.170 -0.007 0.000 0.240 109 I C 0.514 176.678 176.117 0.077 0.000 1.084 109 I CA 1.748 63.098 61.300 0.085 0.000 1.365 109 I CB -0.764 37.317 38.000 0.135 0.000 1.064 109 I HN 0.163 nan 8.210 nan 0.000 0.410 110 P HA -0.171 nan 4.420 nan 0.000 0.218 110 P C 1.501 178.819 177.300 0.031 0.000 1.149 110 P CA 1.301 64.440 63.100 0.064 0.000 0.817 110 P CB 0.107 31.855 31.700 0.080 0.000 0.785 111 E N -0.108 120.104 120.200 0.020 0.000 2.097 111 E HA -0.164 4.182 4.350 -0.007 0.000 0.196 111 E C 1.961 178.556 176.600 -0.007 0.000 1.000 111 E CA 1.089 57.488 56.400 -0.001 0.000 0.804 111 E CB -0.850 28.838 29.700 -0.020 0.000 0.740 111 E HN 0.076 nan 8.360 nan 0.000 0.454 112 I N 0.820 121.386 120.570 -0.007 0.000 2.439 112 I HA -0.149 4.017 4.170 -0.007 0.000 0.251 112 I C 1.972 178.070 176.117 -0.032 0.000 1.139 112 I CA 1.101 62.391 61.300 -0.017 0.000 1.438 112 I CB -0.999 36.991 38.000 -0.016 0.000 1.085 112 I HN 0.247 nan 8.210 nan 0.000 0.427 113 E N 0.954 121.137 120.200 -0.028 0.000 2.023 113 E HA -0.200 4.146 4.350 -0.007 0.000 0.196 113 E C 2.286 178.865 176.600 -0.035 0.000 1.003 113 E CA 1.435 57.805 56.400 -0.049 0.000 0.809 113 E CB -0.455 29.226 29.700 -0.031 0.000 0.755 113 E HN 0.531 nan 8.360 nan 0.000 0.449 114 G N 1.374 110.170 108.800 -0.007 0.000 2.529 114 G HA2 -0.352 3.604 3.960 -0.007 0.000 0.219 114 G HA3 -0.352 3.604 3.960 -0.007 0.000 0.219 114 G C 1.730 176.631 174.900 0.003 0.000 1.177 114 G CA 1.415 46.518 45.100 0.006 0.000 0.773 114 G HN 0.384 nan 8.290 nan 0.000 0.573 115 A N 0.377 123.197 122.820 -0.000 0.000 1.948 115 A HA 0.000 4.316 4.320 -0.007 0.000 0.220 115 A C 2.455 180.042 177.584 0.005 0.000 1.177 115 A CA 1.641 53.686 52.037 0.014 0.000 0.636 115 A CB -0.390 18.618 19.000 0.013 0.000 0.815 115 A HN 0.401 nan 8.150 nan 0.000 0.449 116 L N -0.699 120.487 121.223 -0.062 0.000 2.156 116 L HA -0.087 4.249 4.340 -0.007 0.000 0.208 116 L C 2.126 178.881 176.870 -0.192 0.000 1.095 116 L CA 0.853 55.579 54.840 -0.190 0.000 0.770 116 L CB -0.397 41.513 42.059 -0.247 0.000 0.914 116 L HN 0.287 nan 8.230 nan 0.000 0.439 117 E N 0.313 120.470 120.200 -0.071 0.000 2.478 117 E HA -0.092 4.254 4.350 -0.007 0.000 0.198 117 E C -0.496 176.136 176.600 0.053 0.000 1.046 117 E CA 0.345 56.743 56.400 -0.004 0.000 0.870 117 E CB -0.445 29.270 29.700 0.026 0.000 0.818 117 E HN 0.485 nan 8.360 nan 0.000 0.527 118 D N 0.916 121.357 120.400 0.070 0.000 3.508 118 D HA -0.162 4.473 4.640 -0.007 0.000 0.232 118 D C 0.403 176.739 176.300 0.061 0.000 1.131 118 D CA 0.364 54.416 54.000 0.087 0.000 1.040 118 D CB -0.440 40.430 40.800 0.117 0.000 0.879 118 D HN 0.031 nan 8.370 nan 0.000 0.407 119 Q N -0.277 119.551 119.800 0.047 0.000 1.907 119 Q HA 0.114 4.449 4.340 -0.007 0.000 0.195 119 Q C -0.063 175.955 176.000 0.030 0.000 0.742 119 Q CA 0.209 56.034 55.803 0.037 0.000 0.877 119 Q CB 0.886 29.644 28.738 0.033 0.000 1.216 119 Q HN 0.261 nan 8.270 nan 0.000 0.417 120 R N 0.811 121.329 120.500 0.031 0.000 2.771 120 R HA 0.612 4.948 4.340 -0.007 0.000 0.274 120 R C -2.618 173.698 176.300 0.027 0.000 0.987 120 R CA -1.970 54.142 56.100 0.020 0.000 0.908 120 R CB 0.902 31.206 30.300 0.008 0.000 1.213 120 R HN -0.112 nan 8.270 nan 0.000 0.468 121 P HA 0.239 nan 4.420 nan 0.000 0.296 121 P C -0.165 177.124 177.300 -0.018 0.000 1.306 121 P CA -0.572 62.544 63.100 0.026 0.000 0.818 121 P CB 0.988 32.705 31.700 0.027 0.000 0.969 122 V N 3.673 123.601 119.914 0.023 0.000 1.984 122 V HA 0.135 4.251 4.120 -0.007 0.000 0.272 122 V C 1.067 177.073 176.094 -0.146 0.000 1.706 122 V CA -0.312 61.991 62.300 0.005 0.000 1.644 122 V CB -1.634 30.253 31.823 0.107 0.000 1.509 122 V HN 0.393 nan 8.190 nan 0.000 0.511 123 R N 3.075 123.304 120.500 -0.452 0.000 2.853 123 R HA 0.039 4.375 4.340 -0.007 0.000 0.238 123 R C 1.123 176.620 176.300 -1.339 0.000 1.538 123 R CA -0.102 55.194 56.100 -1.339 0.000 1.166 123 R CB 0.007 29.697 30.300 -1.017 0.000 1.201 123 R HN 0.921 nan 8.270 nan 0.000 0.606 124 W N 2.204 122.908 121.300 -0.993 0.000 2.523 124 W HA -0.103 4.553 4.660 -0.007 0.000 0.278 124 W C 0.896 177.247 176.519 -0.279 0.000 1.236 124 W CA -0.075 57.022 57.345 -0.413 0.000 1.306 124 W CB -0.910 28.477 29.460 -0.123 0.000 1.101 124 W HN 0.524 nan 8.180 nan 0.000 0.577 125 W N 2.701 123.370 121.300 -1.051 0.000 2.331 125 W HA -0.087 4.569 4.660 -0.006 0.000 0.291 125 W C 1.995 178.332 176.519 -0.303 0.000 1.214 125 W CA 1.914 58.789 57.345 -0.782 0.000 1.228 125 W CB -1.288 27.589 29.460 -0.971 0.000 1.135 125 W HN -0.235 nan 8.180 nan 0.000 0.537 126 R N 0.290 120.335 120.500 -0.759 0.000 2.128 126 R HA 0.096 4.432 4.340 -0.007 0.000 0.211 126 R C 2.169 178.307 176.300 -0.270 0.000 1.067 126 R CA 1.083 56.944 56.100 -0.398 0.000 1.010 126 R CB -0.764 29.276 30.300 -0.433 0.000 0.922 126 R HN 0.217 nan 8.270 nan 0.000 0.457 127 V N 1.604 121.333 119.914 -0.309 0.000 2.426 127 V HA -0.099 4.017 4.120 -0.007 0.000 0.242 127 V C 2.294 178.319 176.094 -0.115 0.000 1.036 127 V CA 1.025 63.209 62.300 -0.193 0.000 1.044 127 V CB -0.250 31.455 31.823 -0.196 0.000 0.688 127 V HN 0.151 nan 8.190 nan 0.000 0.462 128 L N 0.855 122.043 121.223 -0.059 0.000 1.976 128 L HA -0.204 4.132 4.340 -0.007 0.000 0.223 128 L C 0.129 176.936 176.870 -0.106 0.000 1.081 128 L CA 2.682 57.498 54.840 -0.041 0.000 0.784 128 L CB -1.737 40.348 42.059 0.043 0.000 0.896 128 L HN 0.367 nan 8.230 nan 0.000 0.438 129 P HA -0.077 nan 4.420 nan 0.000 0.218 129 P C 1.911 179.147 177.300 -0.107 0.000 1.152 129 P CA 1.151 64.127 63.100 -0.205 0.000 0.826 129 P CB 0.083 31.735 31.700 -0.081 0.000 0.790 130 V N 0.690 120.567 119.914 -0.061 0.000 2.343 130 V HA -0.215 3.901 4.120 -0.007 0.000 0.247 130 V C 2.794 178.857 176.094 -0.052 0.000 1.051 130 V CA 2.150 64.424 62.300 -0.044 0.000 1.036 130 V CB -1.041 30.733 31.823 -0.082 0.000 0.654 130 V HN 0.095 nan 8.190 nan 0.000 0.451 131 K N -0.179 120.177 120.400 -0.073 0.000 2.031 131 K HA -0.121 4.195 4.320 -0.007 0.000 0.205 131 K C 1.930 178.511 176.600 -0.032 0.000 1.049 131 K CA 1.534 57.770 56.287 -0.086 0.000 0.939 131 K CB -0.633 31.792 32.500 -0.126 0.000 0.717 131 K HN 0.309 nan 8.250 nan 0.000 0.438 132 F N -0.016 119.822 119.950 -0.187 0.000 2.065 132 F HA -0.237 4.287 4.527 -0.006 0.000 0.298 132 F C 1.550 177.400 175.800 0.083 0.000 1.112 132 F CA 1.802 59.725 58.000 -0.129 0.000 1.212 132 F CB -0.213 38.558 39.000 -0.381 0.000 0.975 132 F HN 0.029 nan 8.300 nan 0.000 0.476 133 F N 0.164 120.316 119.950 0.337 0.000 2.335 133 F HA 0.164 4.686 4.527 -0.007 0.000 0.296 133 F C 2.618 178.473 175.800 0.090 0.000 1.091 133 F CA 0.745 58.897 58.000 0.253 0.000 1.399 133 F CB -1.644 37.530 39.000 0.290 0.000 1.067 133 F HN 0.014 nan 8.300 nan 0.000 0.520 134 G N -0.050 108.829 108.800 0.132 0.000 2.422 134 G HA2 -0.132 3.824 3.960 -0.007 0.000 0.218 134 G HA3 -0.132 3.824 3.960 -0.007 0.000 0.218 134 G C 2.022 176.937 174.900 0.024 0.000 1.146 134 G CA 0.937 46.016 45.100 -0.036 0.000 0.769 134 G HN 0.498 nan 8.290 nan 0.000 0.547 135 G N 0.705 109.573 108.800 0.113 0.000 2.404 135 G HA2 -0.050 3.906 3.960 -0.007 0.000 0.213 135 G HA3 -0.050 3.906 3.960 -0.007 0.000 0.213 135 G C 1.676 176.668 174.900 0.152 0.000 1.189 135 G CA 0.667 45.888 45.100 0.203 0.000 0.796 135 G HN 0.293 nan 8.290 nan 0.000 0.532 136 L N 1.702 122.986 121.223 0.103 0.000 2.151 136 L HA -0.097 4.239 4.340 -0.007 0.000 0.215 136 L C 2.800 179.706 176.870 0.060 0.000 1.084 136 L CA 2.134 56.922 54.840 -0.087 0.000 0.764 136 L CB -0.704 41.361 42.059 0.010 0.000 0.891 136 L HN 0.250 nan 8.230 nan 0.000 0.435 137 G N -2.429 106.477 108.800 0.177 0.000 2.424 137 G HA2 -0.225 3.731 3.960 -0.007 0.000 0.214 137 G HA3 -0.225 3.731 3.960 -0.007 0.000 0.214 137 G C 1.493 176.466 174.900 0.122 0.000 1.202 137 G CA 1.117 46.352 45.100 0.225 0.000 0.793 137 G HN 0.468 nan 8.290 nan 0.000 0.534 138 T N 0.297 114.898 114.554 0.077 0.000 2.737 138 T HA 0.006 4.352 4.350 -0.007 0.000 0.265 138 T C 2.303 177.029 174.700 0.042 0.000 1.038 138 T CA 0.875 63.005 62.100 0.050 0.000 1.144 138 T CB -0.256 68.611 68.868 -0.001 0.000 0.866 138 T HN -0.022 nan 8.240 nan 0.000 0.434 139 L N 1.838 123.077 121.223 0.027 0.000 1.988 139 L HA 0.120 4.455 4.340 -0.007 0.000 0.207 139 L C 3.175 180.028 176.870 -0.028 0.000 1.071 139 L CA 2.293 57.129 54.840 -0.008 0.000 0.744 139 L CB -2.004 40.017 42.059 -0.063 0.000 0.893 139 L HN 0.497 nan 8.230 nan 0.000 0.433 140 G N -0.469 108.306 108.800 -0.043 0.000 2.475 140 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.220 140 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.220 140 G C 1.550 176.443 174.900 -0.012 0.000 1.125 140 G CA 0.908 45.991 45.100 -0.028 0.000 0.755 140 G HN 0.528 nan 8.290 nan 0.000 0.565 141 G N -0.103 108.702 108.800 0.009 0.000 2.471 141 G HA2 0.311 4.267 3.960 -0.007 0.000 0.219 141 G HA3 0.311 4.267 3.960 -0.007 0.000 0.219 141 G C 1.271 176.171 174.900 0.001 0.000 1.125 141 G CA 0.636 45.740 45.100 0.006 0.000 0.775 141 G HN 1.526 nan 8.290 nan 0.000 0.548 142 G N -0.279 108.525 108.800 0.006 0.000 2.212 142 G HA2 -0.260 3.696 3.960 -0.007 0.000 0.255 142 G HA3 -0.260 3.696 3.960 -0.007 0.000 0.255 142 G C 0.347 175.263 174.900 0.026 0.000 1.062 142 G CA 0.290 45.398 45.100 0.014 0.000 0.815 142 G HN 0.423 nan 8.290 nan 0.000 0.497 143 M N -0.649 118.971 119.600 0.034 0.000 2.163 143 M HA 0.307 4.783 4.480 -0.007 0.000 0.305 143 M C 1.315 177.647 176.300 0.054 0.000 1.166 143 M CA -0.237 55.095 55.300 0.053 0.000 1.132 143 M CB 0.847 33.491 32.600 0.074 0.000 1.413 143 M HN -0.005 nan 8.290 nan 0.000 0.478 144 V N 3.321 123.278 119.914 0.071 0.000 2.052 144 V HA 0.235 4.351 4.120 -0.007 0.000 0.281 144 V C -0.209 175.941 176.094 0.093 0.000 1.668 144 V CA 0.175 62.517 62.300 0.070 0.000 1.621 144 V CB -1.851 30.015 31.823 0.072 0.000 1.488 144 V HN 0.507 nan 8.190 nan 0.000 0.513 145 L N 0.985 122.254 121.223 0.076 0.000 2.466 145 L HA 0.825 5.161 4.340 -0.007 0.000 0.258 145 L C 0.408 177.308 176.870 0.050 0.000 0.973 145 L CA -0.610 54.291 54.840 0.101 0.000 0.826 145 L CB 2.178 44.325 42.059 0.146 0.000 1.372 145 L HN 0.389 nan 8.230 nan 0.000 0.409 146 G N 0.154 108.984 108.800 0.050 0.000 2.412 146 G HA2 0.484 4.439 3.960 -0.007 0.000 0.318 146 G HA3 0.484 4.439 3.960 -0.007 0.000 0.318 146 G C 0.366 175.259 174.900 -0.012 0.000 1.146 146 G CA -0.502 44.593 45.100 -0.009 0.000 0.882 146 G HN 0.719 nan 8.290 nan 0.000 0.501 147 R N 0.185 120.651 120.500 -0.058 0.000 2.127 147 R HA -0.106 4.230 4.340 -0.007 0.000 0.238 147 R C 2.267 178.457 176.300 -0.183 0.000 1.134 147 R CA 1.779 57.879 56.100 0.000 0.000 0.975 147 R CB -0.069 30.228 30.300 -0.005 0.000 0.865 147 R HN 0.674 nan 8.270 nan 0.000 0.447 148 E N 0.137 120.170 120.200 -0.279 0.000 2.035 148 E HA -0.216 4.130 4.350 -0.007 0.000 0.204 148 E C 2.062 178.502 176.600 -0.268 0.000 1.025 148 E CA 1.609 57.803 56.400 -0.342 0.000 0.835 148 E CB -1.063 28.446 29.700 -0.318 0.000 0.764 148 E HN 0.426 nan 8.360 nan 0.000 0.457 149 G N 1.766 110.460 108.800 -0.176 0.000 2.764 149 G HA2 -0.290 3.666 3.960 -0.007 0.000 0.219 149 G HA3 -0.290 3.666 3.960 -0.007 0.000 0.219 149 G C -0.816 173.980 174.900 -0.172 0.000 1.259 149 G CA 1.651 46.688 45.100 -0.106 0.000 0.793 149 G HN 0.286 nan 8.290 nan 0.000 0.633 150 P HA -0.180 nan 4.420 nan 0.000 0.216 150 P C 2.383 179.408 177.300 -0.459 0.000 1.167 150 P CA 3.002 65.847 63.100 -0.424 0.000 0.914 150 P CB -0.557 30.710 31.700 -0.720 0.000 0.793 151 T N -3.530 110.741 114.554 -0.472 0.000 2.915 151 T HA -0.068 4.278 4.350 -0.007 0.000 0.269 151 T C 1.818 176.379 174.700 -0.233 0.000 1.071 151 T CA 0.980 62.865 62.100 -0.358 0.000 1.132 151 T CB -1.338 67.355 68.868 -0.292 0.000 0.878 151 T HN -0.120 nan 8.240 nan 0.000 0.479 152 V N 1.852 121.639 119.914 -0.212 0.000 2.255 152 V HA -0.158 3.958 4.120 -0.007 0.000 0.243 152 V C 2.935 178.965 176.094 -0.107 0.000 1.038 152 V CA 2.064 64.281 62.300 -0.139 0.000 1.008 152 V CB -0.816 30.932 31.823 -0.125 0.000 0.645 152 V HN 0.520 nan 8.190 nan 0.000 0.449 153 Q N -0.245 119.487 119.800 -0.114 0.000 2.077 153 Q HA -0.241 4.094 4.340 -0.007 0.000 0.206 153 Q C 2.184 178.123 176.000 -0.102 0.000 0.989 153 Q CA 2.351 58.097 55.803 -0.095 0.000 0.853 153 Q CB -0.233 28.444 28.738 -0.101 0.000 0.907 153 Q HN 0.474 nan 8.270 nan 0.000 0.418 154 I N 0.645 121.134 120.570 -0.135 0.000 2.163 154 I HA -0.218 3.948 4.170 -0.007 0.000 0.243 154 I C 2.355 178.414 176.117 -0.097 0.000 1.085 154 I CA 1.729 62.960 61.300 -0.115 0.000 1.347 154 I CB -1.757 36.163 38.000 -0.134 0.000 1.044 154 I HN 0.516 nan 8.210 nan 0.000 0.408 155 G N 0.527 109.263 108.800 -0.106 0.000 2.446 155 G HA2 -0.229 3.727 3.960 -0.007 0.000 0.217 155 G HA3 -0.229 3.727 3.960 -0.007 0.000 0.217 155 G C 1.747 176.597 174.900 -0.083 0.000 1.168 155 G CA 0.982 46.026 45.100 -0.094 0.000 0.771 155 G HN 0.484 nan 8.290 nan 0.000 0.551 156 G N 1.117 109.876 108.800 -0.068 0.000 2.446 156 G HA2 -0.282 3.674 3.960 -0.007 0.000 0.217 156 G HA3 -0.282 3.674 3.960 -0.007 0.000 0.217 156 G C 1.724 176.591 174.900 -0.054 0.000 1.168 156 G CA 1.294 46.362 45.100 -0.053 0.000 0.771 156 G HN 0.471 nan 8.290 nan 0.000 0.551 157 N N 0.454 119.128 118.700 -0.044 0.000 2.309 157 N HA -0.022 4.714 4.740 -0.007 0.000 0.182 157 N C 1.978 177.422 175.510 -0.111 0.000 1.018 157 N CA 0.348 53.392 53.050 -0.010 0.000 0.876 157 N CB -0.094 38.425 38.487 0.053 0.000 0.972 157 N HN 0.191 nan 8.380 nan 0.000 0.434 158 I N 0.375 120.868 120.570 -0.127 0.000 2.361 158 I HA -0.089 4.077 4.170 -0.007 0.000 0.251 158 I C 2.165 178.150 176.117 -0.221 0.000 1.133 158 I CA 0.924 62.113 61.300 -0.185 0.000 1.413 158 I CB -1.537 36.376 38.000 -0.146 0.000 1.073 158 I HN 0.129 nan 8.210 nan 0.000 0.424 159 G N 0.619 109.320 108.800 -0.166 0.000 2.505 159 G HA2 -0.281 3.675 3.960 -0.007 0.000 0.214 159 G HA3 -0.281 3.675 3.960 -0.007 0.000 0.214 159 G C 1.768 176.563 174.900 -0.175 0.000 1.237 159 G CA 0.814 45.822 45.100 -0.152 0.000 0.802 159 G HN 0.166 nan 8.290 nan 0.000 0.549 160 R N 0.321 120.744 120.500 -0.129 0.000 2.162 160 R HA -0.199 4.136 4.340 -0.007 0.000 0.245 160 R C 2.545 178.678 176.300 -0.278 0.000 1.129 160 R CA 2.427 58.470 56.100 -0.095 0.000 0.940 160 R CB -1.012 29.315 30.300 0.045 0.000 0.875 160 R HN 0.433 nan 8.270 nan 0.000 0.437 161 M N -0.148 119.029 119.600 -0.706 0.000 2.110 161 M HA -0.191 4.285 4.480 -0.007 0.000 0.257 161 M C 2.071 178.022 176.300 -0.583 0.000 1.071 161 M CA 2.757 57.302 55.300 -1.259 0.000 1.096 161 M CB -0.446 31.126 32.600 -1.713 0.000 1.300 161 M HN 0.201 nan 8.290 nan 0.000 0.411 162 V N 0.364 120.036 119.914 -0.403 0.000 2.759 162 V HA -0.176 3.940 4.120 -0.007 0.000 0.256 162 V C 2.030 178.010 176.094 -0.190 0.000 1.080 162 V CA 1.629 63.751 62.300 -0.296 0.000 1.101 162 V CB -0.818 30.775 31.823 -0.384 0.000 0.698 162 V HN 0.633 nan 8.190 nan 0.000 0.477 163 L N 1.037 122.174 121.223 -0.143 0.000 2.005 163 L HA -0.016 4.320 4.340 -0.007 0.000 0.207 163 L C 2.219 179.119 176.870 0.051 0.000 1.072 163 L CA 2.621 57.439 54.840 -0.036 0.000 0.744 163 L CB -0.837 41.206 42.059 -0.027 0.000 0.895 163 L HN 0.289 nan 8.230 nan 0.000 0.433 164 D N 0.147 120.575 120.400 0.046 0.000 2.078 164 D HA -0.173 4.463 4.640 -0.007 0.000 0.193 164 D C 2.220 178.607 176.300 0.145 0.000 0.990 164 D CA 1.434 55.509 54.000 0.125 0.000 0.827 164 D CB -0.293 40.648 40.800 0.234 0.000 0.975 164 D HN 0.253 nan 8.370 nan 0.000 0.451 165 I N -0.103 120.556 120.570 0.147 0.000 2.800 165 I HA -0.196 3.969 4.170 -0.007 0.000 0.266 165 I C 1.054 177.367 176.117 0.327 0.000 1.249 165 I CA 1.072 62.502 61.300 0.216 0.000 1.458 165 I CB -0.744 37.377 38.000 0.202 0.000 1.093 165 I HN 0.006 nan 8.210 nan 0.000 0.466 166 F N -0.132 119.810 119.950 -0.013 0.000 2.688 166 F HA 0.260 4.783 4.527 -0.007 0.000 0.310 166 F C 0.757 176.559 175.800 0.004 0.000 1.098 166 F CA -0.643 57.356 58.000 -0.002 0.000 1.228 166 F CB 0.356 39.356 39.000 0.001 0.000 1.042 166 F HN -0.187 nan 8.300 nan 0.000 0.557 167 R N 1.596 122.183 120.500 0.145 0.000 3.358 167 R HA -0.192 4.144 4.340 -0.007 0.000 0.248 167 R C -0.600 175.748 176.300 0.081 0.000 0.981 167 R CA 0.331 56.483 56.100 0.087 0.000 0.662 167 R CB -2.501 27.826 30.300 0.045 0.000 1.037 167 R HN 0.397 nan 8.270 nan 0.000 0.460 168 L N 0.548 121.830 121.223 0.099 0.000 2.410 168 L HA 0.149 4.485 4.340 -0.007 0.000 0.273 168 L C 1.235 178.130 176.870 0.042 0.000 1.152 168 L CA 0.658 55.541 54.840 0.071 0.000 0.855 168 L CB 0.584 42.685 42.059 0.070 0.000 1.129 168 L HN -0.031 nan 8.230 nan 0.000 0.463 169 K N 1.879 122.296 120.400 0.029 0.000 2.221 169 K HA 0.749 5.065 4.320 -0.007 0.000 0.243 169 K C -0.262 176.338 176.600 0.000 0.000 0.968 169 K CA -0.251 56.045 56.287 0.015 0.000 0.846 169 K CB 1.951 34.461 32.500 0.015 0.000 1.141 169 K HN 0.737 nan 8.250 nan 0.000 0.434 170 G N 2.248 111.039 108.800 -0.014 0.000 2.788 170 G HA2 -0.159 3.797 3.960 -0.007 0.000 0.686 170 G HA3 -0.159 3.797 3.960 -0.007 0.000 0.686 170 G C -0.042 174.815 174.900 -0.073 0.000 1.147 170 G CA -0.396 44.685 45.100 -0.032 0.000 0.755 170 G HN 0.766 nan 8.290 nan 0.000 0.634 171 D N -0.190 120.143 120.400 -0.112 0.000 2.191 171 D HA -0.139 4.497 4.640 -0.007 0.000 0.195 171 D C 2.004 178.136 176.300 -0.280 0.000 1.003 171 D CA 1.920 55.769 54.000 -0.252 0.000 0.867 171 D CB 0.190 40.869 40.800 -0.202 0.000 0.926 171 D HN 0.651 nan 8.370 nan 0.000 0.450 172 E N -0.165 119.968 120.200 -0.111 0.000 2.006 172 E HA -0.167 4.179 4.350 -0.007 0.000 0.192 172 E C 2.132 178.720 176.600 -0.020 0.000 0.993 172 E CA 0.946 57.322 56.400 -0.040 0.000 0.808 172 E CB -0.116 29.582 29.700 -0.002 0.000 0.764 172 E HN 0.226 nan 8.360 nan 0.000 0.449 173 A N 1.815 124.624 122.820 -0.019 0.000 1.917 173 A HA -0.248 4.068 4.320 -0.007 0.000 0.219 173 A C 2.231 179.812 177.584 -0.005 0.000 1.182 173 A CA 1.864 53.898 52.037 -0.006 0.000 0.633 173 A CB -0.711 18.290 19.000 0.001 0.000 0.819 173 A HN 0.261 nan 8.150 nan 0.000 0.448 174 R N -1.346 119.134 120.500 -0.033 0.000 2.148 174 R HA -0.145 4.191 4.340 -0.007 0.000 0.227 174 R C 1.875 178.231 176.300 0.093 0.000 1.103 174 R CA 1.721 57.818 56.100 -0.006 0.000 0.983 174 R CB -0.349 29.925 30.300 -0.043 0.000 0.874 174 R HN 0.831 nan 8.270 nan 0.000 0.451 175 H N -1.478 117.585 119.070 -0.011 0.000 2.329 175 H HA 0.025 4.577 4.556 -0.007 0.000 0.306 175 H C 1.928 177.233 175.328 -0.037 0.000 1.062 175 H CA 1.229 57.261 56.048 -0.027 0.000 1.364 175 H CB 0.152 29.892 29.762 -0.036 0.000 1.409 175 H HN 0.133 nan 8.280 nan 0.000 0.519 176 T N 1.510 116.123 114.554 0.099 0.000 2.570 176 T HA -0.194 4.152 4.350 -0.007 0.000 0.266 176 T C 2.175 176.879 174.700 0.007 0.000 1.071 176 T CA 1.359 63.478 62.100 0.032 0.000 1.172 176 T CB -0.450 68.428 68.868 0.017 0.000 0.864 176 T HN 0.155 nan 8.240 nan 0.000 0.421 177 L N 0.295 121.517 121.223 -0.002 0.000 2.012 177 L HA -0.095 4.240 4.340 -0.007 0.000 0.210 177 L C 2.536 179.387 176.870 -0.031 0.000 1.073 177 L CA 1.061 55.881 54.840 -0.033 0.000 0.748 177 L CB -0.609 41.418 42.059 -0.054 0.000 0.891 177 L HN 0.258 nan 8.230 nan 0.000 0.431 178 L N -0.116 121.105 121.223 -0.003 0.000 2.191 178 L HA -0.151 4.185 4.340 -0.007 0.000 0.212 178 L C 2.425 179.281 176.870 -0.023 0.000 1.103 178 L CA 1.824 56.661 54.840 -0.005 0.000 0.769 178 L CB -0.410 41.669 42.059 0.034 0.000 0.908 178 L HN 0.149 nan 8.230 nan 0.000 0.438 179 A N -1.248 121.559 122.820 -0.023 0.000 1.878 179 A HA -0.102 4.214 4.320 -0.007 0.000 0.213 179 A C 2.342 179.909 177.584 -0.027 0.000 1.192 179 A CA 1.374 53.388 52.037 -0.038 0.000 0.619 179 A CB -1.228 17.740 19.000 -0.053 0.000 0.837 179 A HN 0.534 nan 8.150 nan 0.000 0.446 180 T N -2.136 112.403 114.554 -0.024 0.000 2.977 180 T HA 0.044 4.390 4.350 -0.007 0.000 0.271 180 T C 1.701 176.375 174.700 -0.042 0.000 1.105 180 T CA 1.730 63.815 62.100 -0.025 0.000 1.116 180 T CB -0.533 68.319 68.868 -0.028 0.000 0.878 180 T HN 0.359 nan 8.240 nan 0.000 0.509 181 G N 1.124 109.893 108.800 -0.051 0.000 2.424 181 G HA2 0.153 4.109 3.960 -0.007 0.000 0.214 181 G HA3 0.153 4.109 3.960 -0.007 0.000 0.214 181 G C 1.958 176.827 174.900 -0.052 0.000 1.202 181 G CA 0.662 45.723 45.100 -0.065 0.000 0.793 181 G HN 0.696 nan 8.290 nan 0.000 0.534 182 A N 1.212 124.012 122.820 -0.034 0.000 1.908 182 A HA 0.206 4.522 4.320 -0.007 0.000 0.218 182 A C 2.807 180.400 177.584 0.014 0.000 1.181 182 A CA 2.434 54.465 52.037 -0.011 0.000 0.627 182 A CB -0.871 18.137 19.000 0.012 0.000 0.818 182 A HN 0.797 nan 8.150 nan 0.000 0.445 183 A N -0.003 122.832 122.820 0.024 0.000 1.851 183 A HA 0.107 4.422 4.320 -0.007 0.000 0.216 183 A C 2.564 180.146 177.584 -0.003 0.000 1.195 183 A CA 2.467 54.531 52.037 0.045 0.000 0.622 183 A CB -1.311 17.716 19.000 0.044 0.000 0.831 183 A HN 1.230 nan 8.150 nan 0.000 0.444 184 A N -0.723 122.077 122.820 -0.034 0.000 1.986 184 A HA 0.026 4.341 4.320 -0.007 0.000 0.220 184 A C 2.340 179.875 177.584 -0.081 0.000 1.171 184 A CA 2.120 54.118 52.037 -0.064 0.000 0.640 184 A CB -1.346 17.609 19.000 -0.076 0.000 0.811 184 A HN 0.853 nan 8.150 nan 0.000 0.451 185 G N -0.849 107.901 108.800 -0.083 0.000 2.448 185 G HA2 0.004 3.960 3.960 -0.007 0.000 0.218 185 G HA3 0.004 3.960 3.960 -0.007 0.000 0.218 185 G C 1.453 176.262 174.900 -0.151 0.000 1.135 185 G CA 1.018 46.049 45.100 -0.116 0.000 0.784 185 G HN 0.530 nan 8.290 nan 0.000 0.543 186 L N 0.414 121.569 121.223 -0.113 0.000 2.249 186 L HA 0.440 4.776 4.340 -0.007 0.000 0.207 186 L C 2.941 179.768 176.870 -0.072 0.000 1.090 186 L CA 1.591 56.357 54.840 -0.124 0.000 0.802 186 L CB -0.188 41.809 42.059 -0.103 0.000 0.947 186 L HN 0.154 nan 8.230 nan 0.000 0.453 187 A N 0.008 122.789 122.820 -0.065 0.000 1.873 187 A HA -0.081 4.235 4.320 -0.007 0.000 0.215 187 A C 2.435 179.901 177.584 -0.198 0.000 1.186 187 A CA 1.544 53.533 52.037 -0.079 0.000 0.616 187 A CB -1.163 17.791 19.000 -0.076 0.000 0.823 187 A HN 0.520 nan 8.150 nan 0.000 0.442 188 A N -0.256 122.436 122.820 -0.214 0.000 2.024 188 A HA 0.170 4.486 4.320 -0.007 0.000 0.220 188 A C 2.306 179.637 177.584 -0.421 0.000 1.164 188 A CA 1.878 53.730 52.037 -0.307 0.000 0.643 188 A CB -0.782 18.148 19.000 -0.116 0.000 0.806 188 A HN 1.096 nan 8.150 nan 0.000 0.451 189 A N -2.422 120.177 122.820 -0.369 0.000 2.206 189 A HA 0.340 4.656 4.320 -0.007 0.000 0.211 189 A C 1.085 178.205 177.584 -0.773 0.000 1.158 189 A CA 0.830 52.542 52.037 -0.542 0.000 0.761 189 A CB -0.420 18.180 19.000 -0.667 0.000 0.801 189 A HN 0.541 nan 8.150 nan 0.000 0.473 190 F N -2.185 117.673 119.950 -0.153 0.000 2.936 190 F HA 0.235 4.757 4.527 -0.007 0.000 0.334 190 F C 0.597 176.270 175.800 -0.212 0.000 1.170 190 F CA -0.346 57.602 58.000 -0.088 0.000 1.104 190 F CB 0.274 39.266 39.000 -0.013 0.000 1.216 190 F HN 0.160 nan 8.300 nan 0.000 0.518 191 N N 2.433 120.926 118.700 -0.346 0.000 2.705 191 N HA -0.235 4.501 4.740 -0.007 0.000 0.255 191 N C -0.471 174.977 175.510 -0.104 0.000 1.008 191 N CA 0.805 53.641 53.050 -0.357 0.000 0.742 191 N CB -0.760 37.632 38.487 -0.159 0.000 0.906 191 N HN 0.428 nan 8.380 nan 0.000 0.541 192 A N 0.502 123.282 122.820 -0.067 0.000 3.297 192 A HA 0.449 4.765 4.320 -0.007 0.000 0.304 192 A C -1.037 176.540 177.584 -0.012 0.000 0.963 192 A CA -0.517 51.517 52.037 -0.004 0.000 0.935 192 A CB 0.903 19.940 19.000 0.061 0.000 1.093 192 A HN 0.264 nan 8.150 nan 0.000 0.480 193 P HA -0.260 nan 4.420 nan 0.000 0.214 193 P C 1.663 178.955 177.300 -0.013 0.000 1.169 193 P CA 1.249 64.312 63.100 -0.062 0.000 0.908 193 P CB 0.005 31.636 31.700 -0.116 0.000 0.791 194 L N -0.432 120.796 121.223 0.009 0.000 1.990 194 L HA -0.212 4.124 4.340 -0.007 0.000 0.213 194 L C 2.847 179.759 176.870 0.071 0.000 1.072 194 L CA 2.011 56.886 54.840 0.058 0.000 0.755 194 L CB -1.735 40.354 42.059 0.049 0.000 0.889 194 L HN -0.044 nan 8.230 nan 0.000 0.432 195 A N 0.449 123.301 122.820 0.054 0.000 2.032 195 A HA -0.156 4.160 4.320 -0.007 0.000 0.221 195 A C 2.343 180.003 177.584 0.127 0.000 1.165 195 A CA 1.885 53.966 52.037 0.074 0.000 0.645 195 A CB -1.208 17.816 19.000 0.041 0.000 0.807 195 A HN 0.509 nan 8.150 nan 0.000 0.453 196 G N 0.317 109.179 108.800 0.104 0.000 2.505 196 G HA2 -0.087 3.869 3.960 -0.007 0.000 0.214 196 G HA3 -0.087 3.869 3.960 -0.007 0.000 0.214 196 G C 1.405 176.399 174.900 0.157 0.000 1.237 196 G CA 0.958 46.132 45.100 0.123 0.000 0.802 196 G HN 0.305 nan 8.290 nan 0.000 0.549 197 I N 1.153 121.801 120.570 0.131 0.000 2.103 197 I HA -0.192 3.973 4.170 -0.007 0.000 0.241 197 I C 2.820 179.005 176.117 0.113 0.000 1.036 197 I CA 1.123 62.510 61.300 0.144 0.000 1.300 197 I CB -1.353 36.777 38.000 0.217 0.000 1.010 197 I HN 0.074 nan 8.210 nan 0.000 0.406 198 L N -0.471 120.825 121.223 0.122 0.000 2.129 198 L HA -0.255 4.081 4.340 -0.007 0.000 0.212 198 L C 2.569 179.527 176.870 0.147 0.000 1.087 198 L CA 1.847 56.752 54.840 0.107 0.000 0.757 198 L CB -1.182 40.941 42.059 0.108 0.000 0.896 198 L HN 0.204 nan 8.230 nan 0.000 0.434 199 F N 0.529 120.495 119.950 0.028 0.000 2.134 199 F HA -0.225 4.298 4.527 -0.006 0.000 0.299 199 F C 2.285 178.086 175.800 0.001 0.000 1.097 199 F CA 1.135 59.154 58.000 0.032 0.000 1.264 199 F CB -0.213 38.815 39.000 0.047 0.000 1.001 199 F HN -0.052 nan 8.300 nan 0.000 0.479 200 I N 0.242 120.740 120.570 -0.121 0.000 2.113 200 I HA -0.245 3.921 4.170 -0.007 0.000 0.238 200 I C 2.433 178.417 176.117 -0.222 0.000 1.070 200 I CA 1.597 62.766 61.300 -0.219 0.000 1.332 200 I CB -0.861 37.081 38.000 -0.096 0.000 1.044 200 I HN 0.273 nan 8.210 nan 0.000 0.402 201 I N -0.407 120.085 120.570 -0.131 0.000 2.252 201 I HA -0.224 3.942 4.170 -0.007 0.000 0.245 201 I C 2.265 178.299 176.117 -0.139 0.000 1.102 201 I CA 1.784 63.009 61.300 -0.125 0.000 1.385 201 I CB -0.750 37.201 38.000 -0.080 0.000 1.064 201 I HN 0.331 nan 8.210 nan 0.000 0.414 202 E N -0.224 119.905 120.200 -0.117 0.000 2.072 202 E HA -0.250 4.096 4.350 -0.007 0.000 0.190 202 E C 1.820 178.307 176.600 -0.187 0.000 0.982 202 E CA 1.512 57.846 56.400 -0.110 0.000 0.803 202 E CB 0.164 29.846 29.700 -0.029 0.000 0.755 202 E HN 0.655 nan 8.360 nan 0.000 0.453 203 E N -1.411 118.590 120.200 -0.330 0.000 2.441 203 E HA 0.068 4.414 4.350 -0.007 0.000 0.207 203 E C 1.658 177.959 176.600 -0.498 0.000 0.803 203 E CA 0.166 56.312 56.400 -0.423 0.000 1.240 203 E CB 0.061 29.450 29.700 -0.518 0.000 1.233 203 E HN 0.049 nan 8.360 nan 0.000 0.590 204 M N 1.213 120.448 119.600 -0.608 0.000 2.134 204 M HA 0.132 4.608 4.480 -0.007 0.000 0.262 204 M C 0.593 176.715 176.300 -0.297 0.000 1.076 204 M CA 0.887 55.920 55.300 -0.445 0.000 1.143 204 M CB -1.066 31.290 32.600 -0.407 0.000 1.346 204 M HN 0.013 nan 8.290 nan 0.000 0.421 205 R N 1.161 121.492 120.500 -0.282 0.000 2.740 205 R HA 0.032 4.368 4.340 -0.007 0.000 0.263 205 R C -2.475 173.668 176.300 -0.263 0.000 0.997 205 R CA -0.850 55.096 56.100 -0.257 0.000 1.108 205 R CB -1.766 28.389 30.300 -0.241 0.000 0.969 205 R HN 0.051 nan 8.270 nan 0.000 0.431 206 P HA -0.067 nan 4.420 nan 0.000 0.260 206 P C -0.430 176.672 177.300 -0.330 0.000 1.185 206 P CA 0.334 63.305 63.100 -0.215 0.000 0.763 206 P CB 0.668 32.287 31.700 -0.135 0.000 0.776 207 Q N 2.130 121.545 119.800 -0.642 0.000 2.451 207 Q HA 0.094 4.430 4.340 -0.007 0.000 0.206 207 Q C 0.427 175.836 176.000 -0.985 0.000 0.947 207 Q CA 1.336 56.554 55.803 -0.974 0.000 0.937 207 Q CB -0.165 27.846 28.738 -1.212 0.000 1.025 207 Q HN 0.507 nan 8.270 nan 0.000 0.511 208 F N -1.610 118.324 119.950 -0.027 0.000 2.747 208 F HA 0.293 4.816 4.527 -0.007 0.000 0.305 208 F C 0.543 176.349 175.800 0.011 0.000 1.065 208 F CA -0.648 57.347 58.000 -0.008 0.000 1.230 208 F CB 0.301 39.297 39.000 -0.007 0.000 1.027 208 F HN -0.170 nan 8.300 nan 0.000 0.607 209 R N -0.726 119.867 120.500 0.155 0.000 2.873 209 R HA 0.441 4.777 4.340 -0.007 0.000 0.264 209 R C -1.160 175.204 176.300 0.105 0.000 1.026 209 R CA -0.915 55.266 56.100 0.134 0.000 1.002 209 R CB 0.680 31.063 30.300 0.138 0.000 1.174 209 R HN 0.034 nan 8.270 nan 0.000 0.488 210 Y N 1.267 121.578 120.300 0.019 0.000 2.497 210 Y HA 0.170 4.716 4.550 -0.007 0.000 0.334 210 Y C -0.547 175.364 175.900 0.018 0.000 1.199 210 Y CA 0.871 58.975 58.100 0.007 0.000 1.425 210 Y CB 0.923 39.390 38.460 0.011 0.000 1.291 210 Y HN 0.806 nan 8.280 nan 0.000 0.562 211 T N 4.253 118.506 114.554 -0.503 0.000 2.906 211 T HA 0.485 4.831 4.350 -0.007 0.000 0.295 211 T C -1.139 173.260 174.700 -0.503 0.000 1.075 211 T CA -1.093 60.824 62.100 -0.304 0.000 1.005 211 T CB 1.511 70.256 68.868 -0.206 0.000 1.136 211 T HN 0.381 nan 8.240 nan 0.000 0.498 212 L N 1.584 122.756 121.223 -0.084 0.000 2.657 212 L HA 0.499 4.835 4.340 -0.007 0.000 0.239 212 L C -0.498 176.370 176.870 -0.003 0.000 1.215 212 L CA -0.428 54.405 54.840 -0.012 0.000 1.161 212 L CB -1.082 41.040 42.059 0.105 0.000 1.436 212 L HN 0.579 nan 8.230 nan 0.000 0.414 213 I N -0.054 120.467 120.570 -0.082 0.000 2.330 213 I HA 0.263 4.429 4.170 -0.007 0.000 0.289 213 I C 0.705 176.795 176.117 -0.045 0.000 1.001 213 I CA -0.483 60.789 61.300 -0.046 0.000 1.193 213 I CB 1.767 39.717 38.000 -0.083 0.000 1.345 213 I HN 0.344 nan 8.210 nan 0.000 0.461 214 S N 6.119 121.810 115.700 -0.016 0.000 2.466 214 S HA 0.237 4.703 4.470 -0.007 0.000 0.286 214 S C 1.145 175.731 174.600 -0.022 0.000 1.221 214 S CA -0.274 57.918 58.200 -0.014 0.000 1.091 214 S CB 0.168 63.369 63.200 0.002 0.000 0.956 214 S HN 0.561 nan 8.310 nan 0.000 0.501 215 I N 4.913 125.458 120.570 -0.043 0.000 2.315 215 I HA -0.075 4.091 4.170 -0.007 0.000 0.248 215 I C 2.562 178.648 176.117 -0.051 0.000 1.117 215 I CA 0.858 62.124 61.300 -0.057 0.000 1.404 215 I CB -0.139 37.803 38.000 -0.095 0.000 1.071 215 I HN 0.648 nan 8.210 nan 0.000 0.419 216 K N 1.144 121.510 120.400 -0.056 0.000 2.442 216 K HA -0.124 4.192 4.320 -0.007 0.000 0.198 216 K C 1.901 178.541 176.600 0.067 0.000 1.042 216 K CA 1.115 57.385 56.287 -0.029 0.000 0.958 216 K CB 0.116 32.596 32.500 -0.033 0.000 0.766 216 K HN 0.326 nan 8.250 nan 0.000 0.474 217 A N 0.287 123.135 122.820 0.047 0.000 1.861 217 A HA -0.035 4.281 4.320 -0.007 0.000 0.212 217 A C 2.125 179.749 177.584 0.066 0.000 1.199 217 A CA 0.654 52.719 52.037 0.047 0.000 0.613 217 A CB -0.498 18.513 19.000 0.018 0.000 0.846 217 A HN 0.083 nan 8.150 nan 0.000 0.446 218 V N -0.757 119.197 119.914 0.067 0.000 2.370 218 V HA -0.301 3.815 4.120 -0.007 0.000 0.252 218 V C 2.293 178.478 176.094 0.152 0.000 1.068 218 V CA 2.362 64.709 62.300 0.078 0.000 1.061 218 V CB -0.924 30.937 31.823 0.064 0.000 0.656 218 V HN 0.551 nan 8.190 nan 0.000 0.455 219 F N -0.166 119.765 119.950 -0.032 0.000 2.102 219 F HA -0.128 4.395 4.527 -0.007 0.000 0.298 219 F C 2.112 177.889 175.800 -0.038 0.000 1.105 219 F CA 1.410 59.392 58.000 -0.030 0.000 1.239 219 F CB -0.352 38.634 39.000 -0.024 0.000 0.991 219 F HN 0.062 nan 8.300 nan 0.000 0.474 220 I N -0.695 119.944 120.570 0.115 0.000 2.179 220 I HA -0.263 3.903 4.170 -0.007 0.000 0.242 220 I C 2.734 178.807 176.117 -0.073 0.000 1.088 220 I CA 1.517 62.814 61.300 -0.004 0.000 1.357 220 I CB -1.233 36.768 38.000 0.002 0.000 1.051 220 I HN 0.198 nan 8.210 nan 0.000 0.409 221 G N 0.268 109.034 108.800 -0.058 0.000 2.446 221 G HA2 -0.212 3.744 3.960 -0.007 0.000 0.217 221 G HA3 -0.212 3.744 3.960 -0.007 0.000 0.217 221 G C 1.686 176.528 174.900 -0.096 0.000 1.168 221 G CA 0.917 45.967 45.100 -0.084 0.000 0.771 221 G HN 0.260 nan 8.290 nan 0.000 0.551 222 V N 0.670 120.529 119.914 -0.092 0.000 2.759 222 V HA -0.038 4.078 4.120 -0.007 0.000 0.256 222 V C 2.649 178.637 176.094 -0.177 0.000 1.080 222 V CA 0.994 63.223 62.300 -0.119 0.000 1.101 222 V CB -0.173 31.595 31.823 -0.090 0.000 0.698 222 V HN 0.389 nan 8.190 nan 0.000 0.477 223 I N -1.087 119.353 120.570 -0.217 0.000 2.162 223 I HA -0.205 3.961 4.170 -0.007 0.000 0.238 223 I C 2.512 178.548 176.117 -0.134 0.000 1.076 223 I CA 1.215 62.394 61.300 -0.203 0.000 1.353 223 I CB -0.231 37.634 38.000 -0.225 0.000 1.063 223 I HN 0.220 nan 8.210 nan 0.000 0.408 224 M N 0.397 119.922 119.600 -0.126 0.000 2.106 224 M HA -0.216 4.259 4.480 -0.007 0.000 0.259 224 M C 2.651 178.888 176.300 -0.105 0.000 1.068 224 M CA 2.196 57.427 55.300 -0.114 0.000 1.100 224 M CB -1.685 30.837 32.600 -0.130 0.000 1.351 224 M HN 0.383 nan 8.290 nan 0.000 0.404 225 S N -1.296 114.342 115.700 -0.102 0.000 2.402 225 S HA -0.102 4.364 4.470 -0.007 0.000 0.229 225 S C 1.974 176.540 174.600 -0.056 0.000 1.021 225 S CA 1.746 59.894 58.200 -0.087 0.000 0.974 225 S CB -0.492 62.655 63.200 -0.088 0.000 0.800 225 S HN 0.456 nan 8.310 nan 0.000 0.484 226 T N 2.468 116.985 114.554 -0.062 0.000 2.851 226 T HA 0.182 4.528 4.350 -0.007 0.000 0.262 226 T C 1.673 176.387 174.700 0.024 0.000 1.043 226 T CA 1.056 63.146 62.100 -0.018 0.000 1.140 226 T CB -0.252 68.581 68.868 -0.058 0.000 0.872 226 T HN 0.333 nan 8.240 nan 0.000 0.446 227 I N 1.563 122.117 120.570 -0.027 0.000 2.335 227 I HA -0.132 4.034 4.170 -0.007 0.000 0.251 227 I C 2.235 178.325 176.117 -0.046 0.000 1.129 227 I CA 1.258 62.544 61.300 -0.024 0.000 1.402 227 I CB -1.032 36.941 38.000 -0.046 0.000 1.069 227 I HN 0.305 nan 8.210 nan 0.000 0.424 228 M N -0.147 119.394 119.600 -0.098 0.000 2.077 228 M HA -0.228 4.248 4.480 -0.007 0.000 0.261 228 M C 2.536 178.685 176.300 -0.251 0.000 1.070 228 M CA 1.708 56.861 55.300 -0.245 0.000 1.125 228 M CB -1.721 30.727 32.600 -0.254 0.000 1.339 228 M HN 0.231 nan 8.290 nan 0.000 0.409 229 Y N 0.949 121.140 120.300 -0.182 0.000 2.403 229 Y HA -0.151 4.394 4.550 -0.007 0.000 0.291 229 Y C 2.437 178.341 175.900 0.007 0.000 1.143 229 Y CA 1.312 59.360 58.100 -0.086 0.000 1.257 229 Y CB 0.034 38.468 38.460 -0.043 0.000 0.984 229 Y HN 0.058 nan 8.280 nan 0.000 0.550 230 R N 0.353 120.944 120.500 0.151 0.000 2.055 230 R HA -0.136 4.200 4.340 -0.007 0.000 0.228 230 R C 2.181 178.612 176.300 0.220 0.000 1.143 230 R CA 1.278 57.470 56.100 0.154 0.000 0.945 230 R CB -0.921 29.457 30.300 0.131 0.000 0.841 230 R HN 0.372 nan 8.270 nan 0.000 0.429 231 I N 0.664 121.340 120.570 0.176 0.000 2.227 231 I HA -0.316 3.849 4.170 -0.007 0.000 0.250 231 I C 1.767 178.263 176.117 0.632 0.000 1.087 231 I CA 1.767 63.267 61.300 0.334 0.000 1.352 231 I CB -0.537 37.573 38.000 0.183 0.000 1.043 231 I HN 0.044 nan 8.210 nan 0.000 0.425 232 F N -0.740 119.198 119.950 -0.020 0.000 2.680 232 F HA 0.180 4.703 4.527 -0.007 0.000 0.290 232 F C 1.823 177.416 175.800 -0.346 0.000 1.114 232 F CA 0.092 57.999 58.000 -0.156 0.000 1.333 232 F CB -0.552 38.368 39.000 -0.133 0.000 1.091 232 F HN 0.128 nan 8.300 nan 0.000 0.606 233 N N -0.431 118.124 118.700 -0.242 0.000 2.238 233 N HA 0.025 4.761 4.740 -0.007 0.000 0.235 233 N C -0.211 175.135 175.510 -0.273 0.000 1.209 233 N CA -0.056 52.757 53.050 -0.395 0.000 0.879 233 N CB 0.480 38.472 38.487 -0.824 0.000 1.136 233 N HN 0.322 nan 8.380 nan 0.000 0.517 234 H N 0.182 119.213 119.070 -0.065 0.000 2.730 234 H HA 0.182 4.734 4.556 -0.007 0.000 0.376 234 H C 0.287 175.617 175.328 0.005 0.000 1.299 234 H CA 0.138 56.182 56.048 -0.006 0.000 1.447 234 H CB 0.271 30.042 29.762 0.015 0.000 1.493 234 H HN -0.024 nan 8.280 nan 0.000 0.619 235 E N -1.948 118.369 120.200 0.196 0.000 3.170 235 E HA -0.160 4.185 4.350 -0.007 0.000 0.284 235 E C -1.218 175.419 176.600 0.061 0.000 0.967 235 E CA 0.881 57.357 56.400 0.126 0.000 0.919 235 E CB -1.157 28.645 29.700 0.170 0.000 1.469 235 E HN 0.400 nan 8.360 nan 0.000 0.444 236 V N -0.635 119.309 119.914 0.050 0.000 2.891 236 V HA 0.659 4.775 4.120 -0.007 0.000 0.304 236 V C 0.015 176.150 176.094 0.069 0.000 1.171 236 V CA -0.422 61.906 62.300 0.047 0.000 0.943 236 V CB 1.948 33.789 31.823 0.031 0.000 1.037 236 V HN 0.218 nan 8.190 nan 0.000 0.427 237 A N 3.172 126.030 122.820 0.064 0.000 2.287 237 A HA 0.765 5.081 4.320 -0.007 0.000 0.273 237 A C 0.765 178.387 177.584 0.062 0.000 1.091 237 A CA -0.257 51.820 52.037 0.067 0.000 0.817 237 A CB 0.480 19.501 19.000 0.034 0.000 1.069 237 A HN 0.893 nan 8.150 nan 0.000 0.492 238 L N -0.265 120.983 121.223 0.042 0.000 2.209 238 L HA 0.139 4.475 4.340 -0.007 0.000 0.207 238 L C -0.341 176.455 176.870 -0.124 0.000 1.094 238 L CA 0.913 55.748 54.840 -0.009 0.000 0.790 238 L CB -0.166 41.853 42.059 -0.067 0.000 0.932 238 L HN 0.515 nan 8.230 nan 0.000 0.447 239 I N -1.043 119.442 120.570 -0.141 0.000 2.533 239 I HA 0.309 4.475 4.170 -0.007 0.000 0.290 239 I C -0.979 175.110 176.117 -0.045 0.000 1.056 239 I CA -0.283 60.947 61.300 -0.116 0.000 1.057 239 I CB 2.012 39.892 38.000 -0.200 0.000 1.240 239 I HN -0.207 nan 8.210 nan 0.000 0.423 240 D N 5.241 125.634 120.400 -0.012 0.000 2.402 240 D HA 0.362 4.998 4.640 -0.007 0.000 0.252 240 D C -0.219 176.086 176.300 0.009 0.000 1.294 240 D CA -0.084 53.917 54.000 0.002 0.000 0.948 240 D CB 1.925 42.733 40.800 0.014 0.000 1.202 240 D HN 0.232 nan 8.370 nan 0.000 0.561 241 V N 2.223 122.140 119.914 0.004 0.000 3.578 241 V HA 0.357 4.473 4.120 -0.007 0.000 0.290 241 V C 1.373 177.474 176.094 0.012 0.000 1.376 241 V CA 0.434 62.742 62.300 0.012 0.000 1.083 241 V CB -0.190 31.640 31.823 0.012 0.000 0.911 241 V HN 0.803 nan 8.190 nan 0.000 0.433 242 G N 1.658 110.464 108.800 0.010 0.000 2.749 242 G HA2 -0.291 3.665 3.960 -0.007 0.000 0.242 242 G HA3 -0.291 3.665 3.960 -0.007 0.000 0.242 242 G C -0.243 174.662 174.900 0.008 0.000 1.364 242 G CA 0.040 45.146 45.100 0.010 0.000 0.888 242 G HN 0.426 nan 8.290 nan 0.000 0.566 243 K N 0.687 121.092 120.400 0.008 0.000 2.250 243 K HA 0.490 4.806 4.320 -0.007 0.000 0.285 243 K C 1.068 177.671 176.600 0.006 0.000 1.097 243 K CA -0.473 55.817 56.287 0.005 0.000 0.913 243 K CB -0.170 32.334 32.500 0.007 0.000 1.179 243 K HN 0.447 nan 8.250 nan 0.000 0.462 244 L N 2.074 123.297 121.223 0.001 0.000 2.470 244 L HA 0.178 4.514 4.340 -0.007 0.000 0.243 244 L C 0.943 177.812 176.870 -0.001 0.000 1.227 244 L CA 0.161 55.003 54.840 0.005 0.000 0.824 244 L CB 0.500 42.557 42.059 -0.003 0.000 1.175 244 L HN 0.858 nan 8.230 nan 0.000 0.503 245 S N -0.659 115.045 115.700 0.007 0.000 2.640 245 S HA 0.222 4.688 4.470 -0.007 0.000 0.262 245 S C -0.381 174.204 174.600 -0.025 0.000 1.232 245 S CA -0.841 57.361 58.200 0.004 0.000 0.988 245 S CB 0.917 64.136 63.200 0.032 0.000 1.034 245 S HN 0.472 nan 8.310 nan 0.000 0.569 246 D N 0.045 120.430 120.400 -0.025 0.000 2.440 246 D HA 0.643 5.279 4.640 -0.007 0.000 0.258 246 D C -0.647 175.618 176.300 -0.058 0.000 1.092 246 D CA -0.408 53.558 54.000 -0.056 0.000 1.016 246 D CB 1.358 42.130 40.800 -0.046 0.000 1.141 246 D HN 0.772 nan 8.370 nan 0.000 0.552 247 A N 1.220 123.985 122.820 -0.093 0.000 2.277 247 A HA 0.571 4.887 4.320 -0.007 0.000 0.318 247 A C -2.399 175.146 177.584 -0.065 0.000 1.339 247 A CA -1.218 50.772 52.037 -0.077 0.000 0.875 247 A CB 0.272 19.186 19.000 -0.143 0.000 1.158 247 A HN 0.243 nan 8.150 nan 0.000 0.514 248 P HA 0.199 nan 4.420 nan 0.000 0.269 248 P C 0.999 178.267 177.300 -0.055 0.000 1.209 248 P CA -0.398 62.673 63.100 -0.049 0.000 0.776 248 P CB 0.600 32.273 31.700 -0.046 0.000 0.876 249 L N 1.367 122.569 121.223 -0.035 0.000 2.051 249 L HA -0.243 4.092 4.340 -0.007 0.000 0.214 249 L C 1.857 178.725 176.870 -0.003 0.000 1.076 249 L CA 1.732 56.562 54.840 -0.016 0.000 0.758 249 L CB -0.951 41.106 42.059 -0.004 0.000 0.890 249 L HN 0.534 nan 8.230 nan 0.000 0.433 250 N N -1.350 117.330 118.700 -0.033 0.000 2.551 250 N HA -0.088 4.648 4.740 -0.007 0.000 0.199 250 N C 1.000 176.417 175.510 -0.156 0.000 1.277 250 N CA 0.915 53.954 53.050 -0.018 0.000 0.870 250 N CB -0.169 38.320 38.487 0.003 0.000 1.028 250 N HN 0.232 nan 8.380 nan 0.000 0.452 251 T N 0.239 114.679 114.554 -0.189 0.000 3.000 251 T HA 0.270 4.615 4.350 -0.007 0.000 0.248 251 T C 1.857 176.492 174.700 -0.107 0.000 1.034 251 T CA -0.264 61.651 62.100 -0.308 0.000 1.060 251 T CB 0.279 69.040 68.868 -0.178 0.000 0.983 251 T HN 0.060 nan 8.240 nan 0.000 0.482 252 L N 1.704 122.980 121.223 0.088 0.000 2.043 252 L HA -0.127 4.209 4.340 -0.007 0.000 0.212 252 L C 2.832 179.825 176.870 0.204 0.000 1.075 252 L CA 1.616 56.583 54.840 0.212 0.000 0.752 252 L CB -0.690 41.448 42.059 0.132 0.000 0.891 252 L HN 0.558 nan 8.230 nan 0.000 0.432 253 W N 0.661 121.999 121.300 0.062 0.000 2.313 253 W HA -0.256 4.400 4.660 -0.006 0.000 0.293 253 W C 1.726 178.291 176.519 0.077 0.000 1.216 253 W CA 0.965 58.347 57.345 0.061 0.000 1.223 253 W CB -1.305 28.178 29.460 0.038 0.000 1.138 253 W HN 0.191 nan 8.180 nan 0.000 0.535 254 L N -0.120 120.691 121.223 -0.688 0.000 2.141 254 L HA -0.221 4.115 4.340 -0.007 0.000 0.209 254 L C 2.570 179.273 176.870 -0.278 0.000 1.094 254 L CA 1.527 55.961 54.840 -0.676 0.000 0.763 254 L CB -0.902 40.712 42.059 -0.742 0.000 0.908 254 L HN -0.114 nan 8.230 nan 0.000 0.437 255 Y N -1.465 118.819 120.300 -0.026 0.000 2.457 255 Y HA -0.130 4.416 4.550 -0.007 0.000 0.292 255 Y C 2.132 177.990 175.900 -0.071 0.000 1.125 255 Y CA 0.209 58.270 58.100 -0.064 0.000 1.254 255 Y CB -0.156 38.238 38.460 -0.110 0.000 1.012 255 Y HN 0.054 nan 8.280 nan 0.000 0.555 256 L N -0.121 121.177 121.223 0.124 0.000 2.027 256 L HA -0.156 4.180 4.340 -0.007 0.000 0.206 256 L C 1.894 178.806 176.870 0.069 0.000 1.074 256 L CA 1.584 56.488 54.840 0.107 0.000 0.745 256 L CB -0.562 41.590 42.059 0.154 0.000 0.898 256 L HN 0.086 nan 8.230 nan 0.000 0.433 257 I N -0.856 119.754 120.570 0.067 0.000 2.208 257 I HA -0.281 3.885 4.170 -0.007 0.000 0.245 257 I C 2.298 178.331 176.117 -0.139 0.000 1.097 257 I CA 1.135 62.464 61.300 0.047 0.000 1.363 257 I CB -0.956 37.137 38.000 0.155 0.000 1.051 257 I HN 0.258 nan 8.210 nan 0.000 0.413 258 L N 1.024 121.989 121.223 -0.430 0.000 2.013 258 L HA -0.158 4.178 4.340 -0.007 0.000 0.212 258 L C 2.411 179.238 176.870 -0.072 0.000 1.073 258 L CA 2.349 56.837 54.840 -0.587 0.000 0.753 258 L CB -1.513 40.181 42.059 -0.607 0.000 0.890 258 L HN 0.298 nan 8.230 nan 0.000 0.432 259 G N -0.653 108.145 108.800 -0.002 0.000 2.422 259 G HA2 -0.251 3.705 3.960 -0.007 0.000 0.218 259 G HA3 -0.251 3.705 3.960 -0.007 0.000 0.218 259 G C 1.664 176.629 174.900 0.108 0.000 1.146 259 G CA 1.098 46.240 45.100 0.071 0.000 0.769 259 G HN 0.487 nan 8.290 nan 0.000 0.547 260 I N 0.286 120.903 120.570 0.078 0.000 2.179 260 I HA -0.153 4.013 4.170 -0.007 0.000 0.242 260 I C 2.521 178.686 176.117 0.081 0.000 1.088 260 I CA 0.555 61.908 61.300 0.088 0.000 1.357 260 I CB -0.185 37.866 38.000 0.085 0.000 1.051 260 I HN 0.073 nan 8.210 nan 0.000 0.409 261 I N 0.433 121.022 120.570 0.031 0.000 2.099 261 I HA -0.307 3.859 4.170 -0.007 0.000 0.239 261 I C 2.311 178.425 176.117 -0.005 0.000 1.066 261 I CA 1.845 63.126 61.300 -0.033 0.000 1.324 261 I CB -0.977 36.932 38.000 -0.151 0.000 1.037 261 I HN 0.036 nan 8.210 nan 0.000 0.401 262 F N 0.731 120.676 119.950 -0.010 0.000 2.091 262 F HA -0.206 4.317 4.527 -0.007 0.000 0.299 262 F C 2.560 178.426 175.800 0.109 0.000 1.103 262 F CA 1.858 59.896 58.000 0.064 0.000 1.228 262 F CB -1.067 37.937 39.000 0.006 0.000 0.984 262 F HN 0.137 nan 8.300 nan 0.000 0.477 263 G N 0.211 109.156 108.800 0.243 0.000 2.432 263 G HA2 -0.213 3.743 3.960 -0.007 0.000 0.219 263 G HA3 -0.213 3.743 3.960 -0.007 0.000 0.219 263 G C 1.672 176.641 174.900 0.115 0.000 1.135 263 G CA 0.938 46.129 45.100 0.151 0.000 0.767 263 G HN 0.495 nan 8.290 nan 0.000 0.550 264 I N -1.748 118.893 120.570 0.119 0.000 2.406 264 I HA 0.105 4.271 4.170 -0.007 0.000 0.249 264 I C 2.332 178.501 176.117 0.087 0.000 1.122 264 I CA 1.209 62.564 61.300 0.091 0.000 1.431 264 I CB -0.591 37.460 38.000 0.085 0.000 1.087 264 I HN 0.134 nan 8.210 nan 0.000 0.424 265 F N 2.830 122.762 119.950 -0.030 0.000 2.416 265 F HA 0.289 4.813 4.527 -0.005 0.000 0.296 265 F C 2.265 178.056 175.800 -0.016 0.000 1.099 265 F CA 0.939 58.903 58.000 -0.060 0.000 1.427 265 F CB -0.524 38.423 39.000 -0.087 0.000 1.079 265 F HN 0.079 nan 8.300 nan 0.000 0.536 266 G N 1.349 110.121 108.800 -0.045 0.000 2.476 266 G HA2 -0.256 3.700 3.960 -0.007 0.000 0.218 266 G HA3 -0.256 3.700 3.960 -0.007 0.000 0.218 266 G C -0.791 174.021 174.900 -0.147 0.000 1.164 266 G CA 1.103 46.162 45.100 -0.069 0.000 0.768 266 G HN 0.339 nan 8.290 nan 0.000 0.560 267 P HA 0.042 nan 4.420 nan 0.000 0.217 267 P C 2.018 179.139 177.300 -0.298 0.000 1.154 267 P CA 0.261 63.264 63.100 -0.162 0.000 0.841 267 P CB 0.029 31.670 31.700 -0.098 0.000 0.788 268 I N -1.045 119.280 120.570 -0.409 0.000 2.185 268 I HA -0.262 3.903 4.170 -0.007 0.000 0.246 268 I C 2.164 177.680 176.117 -1.002 0.000 1.088 268 I CA 1.778 62.654 61.300 -0.706 0.000 1.347 268 I CB -1.347 36.244 38.000 -0.682 0.000 1.041 268 I HN -0.057 nan 8.210 nan 0.000 0.415 269 F N 2.020 121.373 119.950 -0.995 0.000 2.163 269 F HA -0.128 4.395 4.527 -0.006 0.000 0.297 269 F C 2.314 177.952 175.800 -0.269 0.000 1.094 269 F CA 1.491 59.079 58.000 -0.686 0.000 1.290 269 F CB -0.599 37.947 39.000 -0.757 0.000 1.017 269 F HN 0.176 nan 8.300 nan 0.000 0.483 270 N N 0.237 118.747 118.700 -0.317 0.000 2.084 270 N HA -0.239 4.497 4.740 -0.007 0.000 0.190 270 N C 1.915 177.315 175.510 -0.185 0.000 1.030 270 N CA 1.254 54.159 53.050 -0.242 0.000 0.849 270 N CB -0.292 38.121 38.487 -0.123 0.000 1.012 270 N HN 0.262 nan 8.380 nan 0.000 0.423 271 K N 0.317 120.597 120.400 -0.200 0.000 2.113 271 K HA -0.161 4.155 4.320 -0.007 0.000 0.208 271 K C 1.703 178.321 176.600 0.030 0.000 1.047 271 K CA 1.238 57.456 56.287 -0.115 0.000 0.928 271 K CB 0.011 32.408 32.500 -0.172 0.000 0.716 271 K HN 0.247 nan 8.250 nan 0.000 0.446 272 W N -0.180 121.035 121.300 -0.142 0.000 2.407 272 W HA -0.091 4.565 4.660 -0.008 0.000 0.305 272 W C 2.132 178.542 176.519 -0.182 0.000 1.196 272 W CA 0.349 57.611 57.345 -0.139 0.000 1.311 272 W CB -1.209 28.186 29.460 -0.109 0.000 1.135 272 W HN -0.039 nan 8.180 nan 0.000 0.514 273 V N 0.886 120.744 119.914 -0.094 0.000 2.490 273 V HA -0.239 3.877 4.120 -0.007 0.000 0.250 273 V C 1.966 178.074 176.094 0.025 0.000 1.061 273 V CA 1.679 63.925 62.300 -0.089 0.000 1.064 273 V CB -0.376 31.323 31.823 -0.206 0.000 0.670 273 V HN 0.068 nan 8.190 nan 0.000 0.461 274 L N 0.212 121.443 121.223 0.014 0.000 2.068 274 L HA 0.103 4.438 4.340 -0.007 0.000 0.204 274 L C 2.760 179.652 176.870 0.036 0.000 1.076 274 L CA 1.516 56.374 54.840 0.029 0.000 0.753 274 L CB -1.295 40.773 42.059 0.014 0.000 0.910 274 L HN 0.437 nan 8.230 nan 0.000 0.439 275 G N -0.374 108.459 108.800 0.055 0.000 2.450 275 G HA2 -0.319 3.637 3.960 -0.007 0.000 0.220 275 G HA3 -0.319 3.637 3.960 -0.007 0.000 0.220 275 G C 1.527 176.451 174.900 0.039 0.000 1.130 275 G CA 0.765 45.900 45.100 0.059 0.000 0.760 275 G HN 0.129 nan 8.290 nan 0.000 0.557 276 M N 0.074 119.700 119.600 0.044 0.000 2.254 276 M HA 0.127 4.603 4.480 -0.007 0.000 0.265 276 M C 2.531 178.849 176.300 0.030 0.000 1.066 276 M CA 0.985 56.301 55.300 0.027 0.000 1.123 276 M CB -0.408 32.213 32.600 0.035 0.000 1.388 276 M HN 0.278 nan 8.290 nan 0.000 0.425 277 Q N -0.054 119.769 119.800 0.038 0.000 2.124 277 Q HA -0.196 4.140 4.340 -0.007 0.000 0.202 277 Q C 1.391 177.403 176.000 0.021 0.000 0.977 277 Q CA 1.670 57.495 55.803 0.038 0.000 0.850 277 Q CB -0.093 28.664 28.738 0.032 0.000 0.901 277 Q HN 0.569 nan 8.270 nan 0.000 0.429 278 D N 0.596 120.997 120.400 0.003 0.000 2.085 278 D HA -0.158 4.478 4.640 -0.007 0.000 0.199 278 D C 1.881 178.170 176.300 -0.017 0.000 0.981 278 D CA 0.668 54.660 54.000 -0.014 0.000 0.834 278 D CB -0.526 40.264 40.800 -0.016 0.000 0.992 278 D HN 0.166 nan 8.370 nan 0.000 0.457 279 L N 0.369 121.583 121.223 -0.015 0.000 2.263 279 L HA -0.134 4.202 4.340 -0.007 0.000 0.216 279 L C 2.339 179.182 176.870 -0.046 0.000 1.111 279 L CA 0.681 55.504 54.840 -0.028 0.000 0.773 279 L CB -0.041 42.007 42.059 -0.019 0.000 0.906 279 L HN -0.004 nan 8.230 nan 0.000 0.439 280 L N -2.243 118.959 121.223 -0.036 0.000 2.249 280 L HA -0.150 4.186 4.340 -0.007 0.000 0.207 280 L C 2.253 179.029 176.870 -0.155 0.000 1.090 280 L CA 0.544 55.356 54.840 -0.047 0.000 0.802 280 L CB -0.288 41.773 42.059 0.005 0.000 0.947 280 L HN 0.263 nan 8.230 nan 0.000 0.453 281 H N -0.170 118.709 119.070 -0.318 0.000 2.462 281 H HA -0.103 4.449 4.556 -0.007 0.000 0.292 281 H C 2.340 177.250 175.328 -0.697 0.000 1.049 281 H CA 1.210 56.841 56.048 -0.695 0.000 1.334 281 H CB 0.247 29.758 29.762 -0.419 0.000 1.404 281 H HN 0.008 nan 8.280 nan 0.000 0.544 282 R N -0.426 119.905 120.500 -0.281 0.000 2.117 282 R HA -0.119 4.217 4.340 -0.007 0.000 0.243 282 R C 1.773 177.914 176.300 -0.265 0.000 1.143 282 R CA 1.542 57.511 56.100 -0.218 0.000 0.968 282 R CB -0.151 30.081 30.300 -0.114 0.000 0.863 282 R HN 0.222 nan 8.270 nan 0.000 0.444 283 V N 0.214 119.969 119.914 -0.265 0.000 3.305 283 V HA -0.128 3.988 4.120 -0.007 0.000 0.269 283 V C 0.847 176.862 176.094 -0.132 0.000 1.157 283 V CA 1.901 64.112 62.300 -0.148 0.000 1.157 283 V CB -0.692 31.093 31.823 -0.063 0.000 0.772 283 V HN 0.639 nan 8.190 nan 0.000 0.498 284 H N -3.239 115.633 119.070 -0.331 0.000 3.540 284 H HA 0.469 5.021 4.556 -0.007 0.000 0.259 284 H C 1.544 176.695 175.328 -0.296 0.000 1.197 284 H CA 0.277 56.142 56.048 -0.305 0.000 1.136 284 H CB -0.018 29.523 29.762 -0.368 0.000 1.605 284 H HN 0.141 nan 8.280 nan 0.000 0.657 285 G N 0.850 109.285 108.800 -0.608 0.000 2.244 285 G HA2 -0.156 3.800 3.960 -0.007 0.000 0.274 285 G HA3 -0.156 3.800 3.960 -0.007 0.000 0.274 285 G C 1.363 176.101 174.900 -0.269 0.000 1.002 285 G CA 1.102 45.985 45.100 -0.361 0.000 0.740 285 G HN 1.652 nan 8.290 nan 0.000 0.516 286 G N -1.166 107.320 108.800 -0.523 0.000 2.175 286 G HA2 -0.226 3.730 3.960 -0.007 0.000 0.244 286 G HA3 -0.226 3.730 3.960 -0.007 0.000 0.244 286 G C 0.208 175.330 174.900 0.370 0.000 0.982 286 G CA 0.725 45.890 45.100 0.108 0.000 0.641 286 G HN 1.949 nan 8.290 nan 0.000 0.527 287 N N 0.761 119.607 118.700 0.243 0.000 2.416 287 N HA 0.353 5.089 4.740 -0.007 0.000 0.265 287 N C 1.544 177.224 175.510 0.283 0.000 1.195 287 N CA 0.275 53.455 53.050 0.215 0.000 0.943 287 N CB 0.264 38.822 38.487 0.118 0.000 1.115 287 N HN 0.345 nan 8.380 nan 0.000 0.481 288 I N 2.464 123.164 120.570 0.217 0.000 2.576 288 I HA -0.341 3.825 4.170 -0.007 0.000 0.263 288 I C 1.095 177.302 176.117 0.150 0.000 1.183 288 I CA 1.367 62.763 61.300 0.160 0.000 1.432 288 I CB 0.055 38.102 38.000 0.078 0.000 1.100 288 I HN 0.661 nan 8.210 nan 0.000 0.452 289 T N -0.185 114.447 114.554 0.132 0.000 2.988 289 T HA -0.019 4.327 4.350 -0.007 0.000 0.240 289 T C 1.724 176.473 174.700 0.082 0.000 1.014 289 T CA 0.555 62.709 62.100 0.091 0.000 1.155 289 T CB 0.141 69.040 68.868 0.052 0.000 0.872 289 T HN 0.244 nan 8.240 nan 0.000 0.440 290 K N 0.462 120.911 120.400 0.083 0.000 2.089 290 K HA -0.187 4.129 4.320 -0.007 0.000 0.210 290 K C 2.007 178.613 176.600 0.010 0.000 1.048 290 K CA 1.599 57.918 56.287 0.053 0.000 0.926 290 K CB -0.148 32.398 32.500 0.077 0.000 0.714 290 K HN 0.337 nan 8.250 nan 0.000 0.448 291 W N 1.276 122.451 121.300 -0.207 0.000 2.322 291 W HA -0.199 4.457 4.660 -0.007 0.000 0.326 291 W C 1.895 178.195 176.519 -0.366 0.000 1.224 291 W CA 1.221 58.280 57.345 -0.477 0.000 1.257 291 W CB -0.845 28.368 29.460 -0.411 0.000 1.174 291 W HN -0.189 nan 8.180 nan 0.000 0.460 292 V N 1.192 121.175 119.914 0.115 0.000 2.568 292 V HA -0.310 3.806 4.120 -0.007 0.000 0.253 292 V C 2.432 178.481 176.094 -0.074 0.000 1.072 292 V CA 1.357 63.672 62.300 0.025 0.000 1.084 292 V CB -0.980 30.924 31.823 0.135 0.000 0.676 292 V HN 0.162 nan 8.190 nan 0.000 0.469 293 L N -1.177 120.018 121.223 -0.047 0.000 2.007 293 L HA -0.166 4.170 4.340 -0.007 0.000 0.205 293 L C 2.483 179.290 176.870 -0.105 0.000 1.073 293 L CA 2.102 56.913 54.840 -0.049 0.000 0.744 293 L CB -0.592 41.460 42.059 -0.011 0.000 0.898 293 L HN 0.326 nan 8.230 nan 0.000 0.435 294 M N -0.038 119.481 119.600 -0.136 0.000 2.143 294 M HA -0.213 4.263 4.480 -0.007 0.000 0.258 294 M C 1.994 178.131 176.300 -0.270 0.000 1.071 294 M CA 2.202 57.403 55.300 -0.164 0.000 1.088 294 M CB -0.475 32.009 32.600 -0.194 0.000 1.360 294 M HN 0.331 nan 8.290 nan 0.000 0.404 295 G N -0.880 107.590 108.800 -0.551 0.000 2.433 295 G HA2 -0.194 3.761 3.960 -0.007 0.000 0.216 295 G HA3 -0.194 3.761 3.960 -0.007 0.000 0.216 295 G C 1.382 176.066 174.900 -0.360 0.000 1.186 295 G CA 0.905 45.372 45.100 -1.056 0.000 0.779 295 G HN 0.606 nan 8.290 nan 0.000 0.543 296 G N 1.120 109.804 108.800 -0.193 0.000 2.469 296 G HA2 -0.024 3.931 3.960 -0.007 0.000 0.220 296 G HA3 -0.024 3.931 3.960 -0.007 0.000 0.220 296 G C 2.024 176.854 174.900 -0.116 0.000 1.136 296 G CA 1.691 46.748 45.100 -0.073 0.000 0.759 296 G HN 0.709 nan 8.290 nan 0.000 0.562 297 A N 0.866 123.648 122.820 -0.063 0.000 1.877 297 A HA 0.038 4.354 4.320 -0.007 0.000 0.216 297 A C 2.413 179.969 177.584 -0.047 0.000 1.186 297 A CA 1.463 53.509 52.037 0.016 0.000 0.620 297 A CB -0.343 18.688 19.000 0.051 0.000 0.822 297 A HN 0.406 nan 8.150 nan 0.000 0.443 298 I N -0.291 120.247 120.570 -0.053 0.000 2.133 298 I HA -0.138 4.028 4.170 -0.007 0.000 0.238 298 I C 2.698 178.797 176.117 -0.030 0.000 1.074 298 I CA 1.225 62.517 61.300 -0.013 0.000 1.342 298 I CB -1.026 36.991 38.000 0.029 0.000 1.053 298 I HN 0.328 nan 8.210 nan 0.000 0.404 299 G N 0.629 109.420 108.800 -0.015 0.000 2.479 299 G HA2 -0.160 3.795 3.960 -0.007 0.000 0.220 299 G HA3 -0.160 3.795 3.960 -0.007 0.000 0.220 299 G C 1.667 176.450 174.900 -0.195 0.000 1.115 299 G CA 0.887 45.970 45.100 -0.029 0.000 0.757 299 G HN 0.534 nan 8.290 nan 0.000 0.560 300 G N 0.914 109.460 108.800 -0.423 0.000 2.394 300 G HA2 -0.098 3.858 3.960 -0.007 0.000 0.214 300 G HA3 -0.098 3.858 3.960 -0.007 0.000 0.214 300 G C 1.697 176.237 174.900 -0.600 0.000 1.176 300 G CA 0.832 45.315 45.100 -1.030 0.000 0.786 300 G HN 0.437 nan 8.290 nan 0.000 0.533 301 L N 0.382 121.470 121.223 -0.224 0.000 2.187 301 L HA -0.040 4.296 4.340 -0.007 0.000 0.213 301 L C 2.634 179.519 176.870 0.025 0.000 1.100 301 L CA 1.422 56.281 54.840 0.032 0.000 0.765 301 L CB -0.530 41.575 42.059 0.077 0.000 0.904 301 L HN 0.242 nan 8.230 nan 0.000 0.437 302 C N -0.248 119.039 119.300 -0.021 0.000 2.508 302 C HA 0.004 4.460 4.460 -0.007 0.000 0.280 302 C C 2.795 177.799 174.990 0.023 0.000 1.262 302 C CA 0.783 59.808 59.018 0.011 0.000 1.706 302 C CB -1.656 26.088 27.740 0.007 0.000 2.078 302 C HN 0.741 nan 8.230 nan 0.000 0.480 303 G N -0.086 108.701 108.800 -0.022 0.000 2.479 303 G HA2 -0.219 3.737 3.960 -0.007 0.000 0.220 303 G HA3 -0.219 3.737 3.960 -0.007 0.000 0.220 303 G C 1.530 176.475 174.900 0.074 0.000 1.115 303 G CA 1.001 46.102 45.100 0.003 0.000 0.757 303 G HN 0.523 nan 8.290 nan 0.000 0.560 304 L N 0.140 121.425 121.223 0.103 0.000 2.007 304 L HA 0.156 4.492 4.340 -0.007 0.000 0.205 304 L C 2.686 179.675 176.870 0.197 0.000 1.073 304 L CA 1.181 56.132 54.840 0.186 0.000 0.744 304 L CB -0.198 41.995 42.059 0.222 0.000 0.898 304 L HN 0.153 nan 8.230 nan 0.000 0.435 305 L N -0.672 120.638 121.223 0.146 0.000 2.275 305 L HA -0.043 4.293 4.340 -0.007 0.000 0.215 305 L C 2.426 179.377 176.870 0.135 0.000 1.119 305 L CA 0.815 55.734 54.840 0.132 0.000 0.790 305 L CB -1.561 40.559 42.059 0.101 0.000 0.919 305 L HN 0.470 nan 8.230 nan 0.000 0.443 306 G N -0.374 108.512 108.800 0.142 0.000 2.527 306 G HA2 -0.294 3.662 3.960 -0.007 0.000 0.219 306 G HA3 -0.294 3.662 3.960 -0.007 0.000 0.219 306 G C 1.218 176.259 174.900 0.234 0.000 1.117 306 G CA 0.495 45.683 45.100 0.147 0.000 0.759 306 G HN 0.432 nan 8.290 nan 0.000 0.556 307 F N -0.253 119.730 119.950 0.055 0.000 2.880 307 F HA 0.211 4.737 4.527 -0.003 0.000 0.346 307 F C 1.777 177.625 175.800 0.081 0.000 1.054 307 F CA 0.362 58.395 58.000 0.056 0.000 1.151 307 F CB 0.532 39.550 39.000 0.029 0.000 1.066 307 F HN 0.010 nan 8.300 nan 0.000 0.566 308 V N -1.543 118.355 119.914 -0.027 0.000 3.379 308 V HA 0.680 4.796 4.120 -0.007 0.000 0.249 308 V C 0.680 176.781 176.094 0.013 0.000 1.184 308 V CA 0.723 62.978 62.300 -0.074 0.000 1.106 308 V CB 0.041 31.892 31.823 0.047 0.000 0.826 308 V HN 0.244 nan 8.190 nan 0.000 0.465 309 A N 0.647 123.518 122.820 0.085 0.000 3.156 309 A HA 0.724 5.040 4.320 -0.007 0.000 0.311 309 A C -2.166 175.492 177.584 0.123 0.000 1.129 309 A CA -0.720 51.407 52.037 0.149 0.000 0.809 309 A CB 0.613 19.791 19.000 0.296 0.000 1.257 309 A HN 0.282 nan 8.150 nan 0.000 0.491 310 P HA -0.070 nan 4.420 nan 0.000 0.236 310 P C 1.455 178.818 177.300 0.106 0.000 1.172 310 P CA 1.471 64.636 63.100 0.109 0.000 0.759 310 P CB 0.363 32.132 31.700 0.114 0.000 0.843 311 A N -0.509 122.374 122.820 0.104 0.000 1.975 311 A HA -0.085 4.231 4.320 -0.007 0.000 0.215 311 A C 2.106 179.680 177.584 -0.018 0.000 1.170 311 A CA 1.814 53.886 52.037 0.058 0.000 0.656 311 A CB -1.538 17.480 19.000 0.030 0.000 0.821 311 A HN 0.292 nan 8.150 nan 0.000 0.449 312 T N -2.906 111.626 114.554 -0.036 0.000 2.985 312 T HA 0.094 4.439 4.350 -0.007 0.000 0.266 312 T C 1.264 175.945 174.700 -0.031 0.000 1.076 312 T CA 1.063 63.102 62.100 -0.101 0.000 1.135 312 T CB -0.212 68.582 68.868 -0.124 0.000 0.890 312 T HN 0.249 nan 8.240 nan 0.000 0.480 313 S N -0.542 115.169 115.700 0.018 0.000 2.690 313 S HA 0.634 5.100 4.470 -0.007 0.000 0.285 313 S C 0.729 175.352 174.600 0.038 0.000 1.135 313 S CA 0.280 58.500 58.200 0.034 0.000 1.020 313 S CB 0.493 63.726 63.200 0.054 0.000 1.159 313 S HN 1.270 nan 8.310 nan 0.000 0.534 314 G N -0.137 108.686 108.800 0.039 0.000 2.828 314 G HA2 -0.075 3.881 3.960 -0.007 0.000 0.463 314 G HA3 -0.075 3.881 3.960 -0.007 0.000 0.463 314 G C 0.744 175.653 174.900 0.015 0.000 1.394 314 G CA 0.008 45.128 45.100 0.033 0.000 0.862 314 G HN 1.365 nan 8.290 nan 0.000 0.540 315 G N -1.430 107.360 108.800 -0.015 0.000 2.422 315 G HA2 0.416 4.372 3.960 -0.007 0.000 0.218 315 G HA3 0.416 4.372 3.960 -0.007 0.000 0.218 315 G C 1.876 176.718 174.900 -0.096 0.000 1.140 315 G CA 2.177 47.220 45.100 -0.094 0.000 0.775 315 G HN 2.670 nan 8.290 nan 0.000 0.545 316 G N -0.448 108.357 108.800 0.007 0.000 2.612 316 G HA2 -0.237 3.719 3.960 -0.007 0.000 0.200 316 G HA3 -0.237 3.719 3.960 -0.007 0.000 0.200 316 G C 1.264 176.326 174.900 0.270 0.000 1.053 316 G CA 0.246 45.412 45.100 0.110 0.000 0.707 316 G HN 0.346 nan 8.290 nan 0.000 0.497 317 F N 1.730 121.748 119.950 0.114 0.000 2.346 317 F HA -0.130 4.393 4.527 -0.008 0.000 0.301 317 F C 2.395 178.259 175.800 0.107 0.000 1.070 317 F CA 1.452 59.522 58.000 0.116 0.000 1.407 317 F CB -0.113 38.964 39.000 0.129 0.000 1.072 317 F HN 0.305 nan 8.300 nan 0.000 0.543 318 N N 0.522 119.395 118.700 0.288 0.000 2.333 318 N HA -0.065 4.671 4.740 -0.007 0.000 0.178 318 N C 1.632 177.259 175.510 0.196 0.000 1.018 318 N CA 0.542 53.715 53.050 0.206 0.000 0.882 318 N CB 0.003 38.591 38.487 0.168 0.000 0.984 318 N HN 0.239 nan 8.380 nan 0.000 0.434 319 L N -1.510 119.843 121.223 0.217 0.000 2.567 319 L HA 0.366 4.702 4.340 -0.007 0.000 0.225 319 L C 1.388 178.409 176.870 0.251 0.000 1.119 319 L CA 0.669 55.663 54.840 0.258 0.000 0.871 319 L CB -0.134 42.066 42.059 0.235 0.000 1.036 319 L HN 0.026 nan 8.230 nan 0.000 0.459 320 I N 0.836 121.531 120.570 0.207 0.000 2.142 320 I HA -0.118 4.048 4.170 -0.007 0.000 0.240 320 I C -0.224 175.977 176.117 0.140 0.000 1.078 320 I CA 1.450 62.850 61.300 0.168 0.000 1.343 320 I CB -1.131 36.955 38.000 0.143 0.000 1.046 320 I HN 0.291 nan 8.210 nan 0.000 0.405 321 P HA -0.110 nan 4.420 nan 0.000 0.218 321 P C 1.751 179.099 177.300 0.081 0.000 1.149 321 P CA 1.476 64.624 63.100 0.080 0.000 0.817 321 P CB -0.037 31.698 31.700 0.059 0.000 0.785 322 I N -0.625 120.006 120.570 0.102 0.000 2.315 322 I HA -0.195 3.971 4.170 -0.007 0.000 0.248 322 I C 2.295 178.456 176.117 0.072 0.000 1.117 322 I CA 1.427 62.738 61.300 0.017 0.000 1.404 322 I CB -0.749 37.233 38.000 -0.030 0.000 1.071 322 I HN -0.091 nan 8.210 nan 0.000 0.419 323 A N 0.131 123.159 122.820 0.347 0.000 2.016 323 A HA -0.105 4.210 4.320 -0.007 0.000 0.217 323 A C 2.319 180.046 177.584 0.238 0.000 1.162 323 A CA 1.805 54.113 52.037 0.451 0.000 0.662 323 A CB -0.771 18.460 19.000 0.386 0.000 0.812 323 A HN 0.366 nan 8.150 nan 0.000 0.450 324 T N -0.060 114.592 114.554 0.163 0.000 2.942 324 T HA 0.163 4.508 4.350 -0.007 0.000 0.265 324 T C 1.973 176.728 174.700 0.092 0.000 1.062 324 T CA 0.977 63.150 62.100 0.120 0.000 1.139 324 T CB -0.143 68.779 68.868 0.091 0.000 0.883 324 T HN 0.504 nan 8.240 nan 0.000 0.468 325 A N 0.605 123.464 122.820 0.064 0.000 2.206 325 A HA 0.487 4.803 4.320 -0.007 0.000 0.211 325 A C 2.022 179.628 177.584 0.035 0.000 1.158 325 A CA 0.891 52.950 52.037 0.036 0.000 0.761 325 A CB -0.855 18.149 19.000 0.006 0.000 0.801 325 A HN 0.701 nan 8.150 nan 0.000 0.473 326 G N -0.413 108.424 108.800 0.062 0.000 2.159 326 G HA2 -0.299 3.657 3.960 -0.007 0.000 0.256 326 G HA3 -0.299 3.657 3.960 -0.007 0.000 0.256 326 G C 0.319 175.238 174.900 0.032 0.000 0.977 326 G CA 0.398 45.543 45.100 0.075 0.000 0.652 326 G HN 0.653 nan 8.290 nan 0.000 0.531 327 N N -0.241 118.413 118.700 -0.076 0.000 2.535 327 N HA 0.317 5.053 4.740 -0.007 0.000 0.203 327 N C -0.514 174.806 175.510 -0.317 0.000 1.301 327 N CA 0.110 53.043 53.050 -0.196 0.000 0.859 327 N CB -0.031 38.296 38.487 -0.267 0.000 1.055 327 N HN 0.352 nan 8.380 nan 0.000 0.457 328 F N 0.406 120.382 119.950 0.043 0.000 2.507 328 F HA 0.256 4.778 4.527 -0.009 0.000 0.325 328 F C 0.785 176.607 175.800 0.037 0.000 1.116 328 F CA -1.533 56.496 58.000 0.048 0.000 0.930 328 F CB 1.182 40.219 39.000 0.062 0.000 1.146 328 F HN -0.117 nan 8.300 nan 0.000 0.447 329 S N 2.785 118.627 115.700 0.238 0.000 2.569 329 S HA -0.031 4.435 4.470 -0.007 0.000 0.274 329 S C 1.241 175.917 174.600 0.126 0.000 1.353 329 S CA -0.575 57.706 58.200 0.136 0.000 1.023 329 S CB 0.559 63.820 63.200 0.101 0.000 0.876 329 S HN 0.825 nan 8.310 nan 0.000 0.540 330 M N 3.054 122.695 119.600 0.068 0.000 2.213 330 M HA 0.116 4.591 4.480 -0.007 0.000 0.263 330 M C 1.802 178.128 176.300 0.043 0.000 1.062 330 M CA 2.100 57.424 55.300 0.040 0.000 1.105 330 M CB -1.415 31.187 32.600 0.003 0.000 1.385 330 M HN 0.898 nan 8.290 nan 0.000 0.417 331 G N 0.059 108.890 108.800 0.052 0.000 2.484 331 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.215 331 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.215 331 G C 1.431 176.396 174.900 0.108 0.000 1.219 331 G CA 1.136 46.273 45.100 0.062 0.000 0.791 331 G HN 0.481 nan 8.290 nan 0.000 0.550 332 M N 0.642 120.318 119.600 0.127 0.000 2.186 332 M HA -0.184 4.292 4.480 -0.007 0.000 0.249 332 M C 2.367 178.713 176.300 0.077 0.000 1.081 332 M CA 1.474 56.880 55.300 0.176 0.000 1.072 332 M CB -0.751 31.980 32.600 0.217 0.000 1.318 332 M HN 0.253 nan 8.290 nan 0.000 0.405 333 L N -2.151 119.076 121.223 0.008 0.000 2.005 333 L HA -0.208 4.127 4.340 -0.007 0.000 0.207 333 L C 2.272 179.145 176.870 0.004 0.000 1.072 333 L CA 1.213 56.015 54.840 -0.063 0.000 0.744 333 L CB -1.071 40.966 42.059 -0.036 0.000 0.895 333 L HN 0.150 nan 8.230 nan 0.000 0.433 334 V N 0.134 120.074 119.914 0.043 0.000 2.252 334 V HA -0.374 3.742 4.120 -0.007 0.000 0.249 334 V C 2.271 178.456 176.094 0.152 0.000 1.056 334 V CA 2.438 64.791 62.300 0.088 0.000 1.022 334 V CB -0.696 31.171 31.823 0.073 0.000 0.641 334 V HN 0.409 nan 8.190 nan 0.000 0.445 335 F N 0.667 120.629 119.950 0.021 0.000 2.027 335 F HA -0.300 4.225 4.527 -0.004 0.000 0.297 335 F C 2.163 177.967 175.800 0.006 0.000 1.129 335 F CA 2.289 60.296 58.000 0.012 0.000 1.195 335 F CB -0.378 38.621 39.000 -0.002 0.000 0.960 335 F HN 0.090 nan 8.300 nan 0.000 0.485 336 I N 0.360 120.707 120.570 -0.371 0.000 2.185 336 I HA -0.315 3.851 4.170 -0.007 0.000 0.246 336 I C 2.196 178.160 176.117 -0.254 0.000 1.088 336 I CA 1.450 62.471 61.300 -0.466 0.000 1.347 336 I CB -1.473 36.332 38.000 -0.326 0.000 1.041 336 I HN 0.314 nan 8.210 nan 0.000 0.415 337 F N 1.222 121.031 119.950 -0.235 0.000 2.010 337 F HA -0.251 4.271 4.527 -0.008 0.000 0.296 337 F C 2.512 178.234 175.800 -0.130 0.000 1.146 337 F CA 2.277 60.177 58.000 -0.167 0.000 1.181 337 F CB -0.806 38.104 39.000 -0.150 0.000 0.965 337 F HN -0.039 nan 8.300 nan 0.000 0.480 338 V N 0.794 120.646 119.914 -0.105 0.000 2.278 338 V HA -0.342 3.773 4.120 -0.007 0.000 0.251 338 V C 2.694 178.664 176.094 -0.206 0.000 1.062 338 V CA 2.017 64.225 62.300 -0.152 0.000 1.038 338 V CB -2.306 29.521 31.823 0.006 0.000 0.646 338 V HN 0.499 nan 8.190 nan 0.000 0.447 339 A N -0.300 122.370 122.820 -0.249 0.000 1.978 339 A HA -0.227 4.089 4.320 -0.007 0.000 0.220 339 A C 2.459 179.905 177.584 -0.230 0.000 1.170 339 A CA 2.146 54.014 52.037 -0.282 0.000 0.636 339 A CB -0.528 18.114 19.000 -0.597 0.000 0.810 339 A HN 0.552 nan 8.150 nan 0.000 0.448 340 R N -1.079 119.266 120.500 -0.258 0.000 2.140 340 R HA 0.051 4.387 4.340 -0.007 0.000 0.213 340 R C 1.937 178.151 176.300 -0.144 0.000 1.059 340 R CA 0.924 56.916 56.100 -0.181 0.000 1.000 340 R CB -0.150 30.053 30.300 -0.162 0.000 0.910 340 R HN 0.394 nan 8.270 nan 0.000 0.455 341 V N 1.111 120.874 119.914 -0.252 0.000 2.392 341 V HA -0.271 3.844 4.120 -0.007 0.000 0.249 341 V C 2.031 178.142 176.094 0.029 0.000 1.059 341 V CA 1.597 63.852 62.300 -0.075 0.000 1.051 341 V CB -0.388 31.365 31.823 -0.118 0.000 0.658 341 V HN 0.175 nan 8.190 nan 0.000 0.455 342 I N 1.146 121.681 120.570 -0.058 0.000 2.133 342 I HA -0.196 3.969 4.170 -0.007 0.000 0.238 342 I C 2.801 178.921 176.117 0.005 0.000 1.074 342 I CA 2.303 63.578 61.300 -0.041 0.000 1.342 342 I CB -0.854 37.107 38.000 -0.065 0.000 1.053 342 I HN 0.483 nan 8.210 nan 0.000 0.404 343 T N -2.853 111.699 114.554 -0.004 0.000 2.833 343 T HA -0.145 4.201 4.350 -0.007 0.000 0.269 343 T C 1.826 176.572 174.700 0.077 0.000 1.054 343 T CA 1.829 63.947 62.100 0.029 0.000 1.135 343 T CB -1.051 67.823 68.868 0.009 0.000 0.869 343 T HN 0.269 nan 8.240 nan 0.000 0.466 344 T N 2.603 117.216 114.554 0.098 0.000 2.737 344 T HA 0.138 4.484 4.350 -0.007 0.000 0.265 344 T C 1.925 176.759 174.700 0.223 0.000 1.038 344 T CA 1.009 63.211 62.100 0.169 0.000 1.144 344 T CB -0.542 68.448 68.868 0.203 0.000 0.866 344 T HN 0.277 nan 8.240 nan 0.000 0.434 345 L N 0.512 121.863 121.223 0.214 0.000 1.941 345 L HA -0.156 4.180 4.340 -0.007 0.000 0.224 345 L C 2.492 179.456 176.870 0.156 0.000 1.081 345 L CA 1.073 56.016 54.840 0.170 0.000 0.784 345 L CB -0.981 41.138 42.059 0.101 0.000 0.894 345 L HN 0.157 nan 8.230 nan 0.000 0.436 346 L N -0.458 120.829 121.223 0.106 0.000 2.082 346 L HA -0.353 3.983 4.340 -0.007 0.000 0.223 346 L C 2.664 179.620 176.870 0.143 0.000 1.086 346 L CA 1.844 56.742 54.840 0.097 0.000 0.793 346 L CB -1.298 40.801 42.059 0.067 0.000 0.896 346 L HN 0.473 nan 8.230 nan 0.000 0.441 347 C N -2.209 117.193 119.300 0.169 0.000 2.476 347 C HA -0.152 4.304 4.460 -0.007 0.000 0.278 347 C C 2.692 177.821 174.990 0.233 0.000 1.274 347 C CA 0.363 59.501 59.018 0.200 0.000 1.713 347 C CB -0.845 27.004 27.740 0.182 0.000 2.039 347 C HN 0.554 nan 8.230 nan 0.000 0.484 348 F N 1.324 121.338 119.950 0.108 0.000 2.234 348 F HA -0.037 4.485 4.527 -0.007 0.000 0.296 348 F C 2.485 178.348 175.800 0.104 0.000 1.089 348 F CA 1.565 59.624 58.000 0.098 0.000 1.343 348 F CB -0.285 38.771 39.000 0.093 0.000 1.040 348 F HN 0.063 nan 8.300 nan 0.000 0.498 349 S N -0.511 115.282 115.700 0.156 0.000 2.402 349 S HA -0.164 4.302 4.470 -0.007 0.000 0.229 349 S C 2.067 176.719 174.600 0.086 0.000 1.021 349 S CA 1.236 59.483 58.200 0.078 0.000 0.974 349 S CB -0.621 62.639 63.200 0.100 0.000 0.800 349 S HN 0.534 nan 8.310 nan 0.000 0.484 350 S N 1.016 116.802 115.700 0.145 0.000 2.603 350 S HA 0.187 4.652 4.470 -0.007 0.000 0.229 350 S C 1.430 176.278 174.600 0.412 0.000 0.972 350 S CA 0.678 59.035 58.200 0.261 0.000 0.935 350 S CB -0.732 62.639 63.200 0.286 0.000 0.769 350 S HN 0.752 nan 8.310 nan 0.000 0.536 351 G N 0.913 109.801 108.800 0.146 0.000 2.249 351 G HA2 -0.114 3.842 3.960 -0.007 0.000 0.273 351 G HA3 -0.114 3.842 3.960 -0.007 0.000 0.273 351 G C 0.259 175.126 174.900 -0.055 0.000 1.036 351 G CA 0.102 45.218 45.100 0.027 0.000 0.824 351 G HN 1.325 nan 8.290 nan 0.000 0.504 352 A N 0.556 123.310 122.820 -0.111 0.000 2.445 352 A HA 0.638 4.954 4.320 -0.007 0.000 0.242 352 A C -1.031 176.398 177.584 -0.258 0.000 1.075 352 A CA -0.637 51.140 52.037 -0.432 0.000 0.777 352 A CB 0.365 19.100 19.000 -0.441 0.000 1.013 352 A HN 0.319 nan 8.150 nan 0.000 0.493 353 P HA 0.374 nan 4.420 nan 0.000 0.267 353 P C 0.128 177.395 177.300 -0.055 0.000 1.209 353 P CA 0.935 63.940 63.100 -0.158 0.000 0.763 353 P CB 0.552 32.152 31.700 -0.166 0.000 0.816 354 G N 1.793 110.595 108.800 0.003 0.000 2.312 354 G HA2 0.378 4.334 3.960 -0.007 0.000 0.322 354 G HA3 0.378 4.334 3.960 -0.007 0.000 0.322 354 G C -0.322 174.703 174.900 0.208 0.000 1.645 354 G CA -0.420 44.729 45.100 0.082 0.000 0.919 354 G HN 0.595 nan 8.290 nan 0.000 0.699 355 G N -0.662 108.218 108.800 0.134 0.000 2.651 355 G HA2 0.549 4.505 3.960 -0.007 0.000 0.260 355 G HA3 0.549 4.505 3.960 -0.007 0.000 0.260 355 G C 0.807 175.785 174.900 0.130 0.000 1.216 355 G CA 0.023 45.210 45.100 0.144 0.000 0.913 355 G HN 1.307 nan 8.290 nan 0.000 0.535 356 I N -0.935 119.652 120.570 0.028 0.000 4.240 356 I HA 0.253 4.419 4.170 -0.007 0.000 0.331 356 I C 1.148 177.340 176.117 0.125 0.000 1.381 356 I CA -0.351 60.872 61.300 -0.129 0.000 1.136 356 I CB 0.156 37.684 38.000 -0.786 0.000 1.137 356 I HN 0.412 nan 8.210 nan 0.000 0.411 357 F N 1.651 121.586 119.950 -0.025 0.000 2.031 357 F HA -0.154 4.369 4.527 -0.007 0.000 0.295 357 F C 2.704 178.541 175.800 0.063 0.000 1.133 357 F CA 1.819 59.832 58.000 0.023 0.000 1.188 357 F CB -1.212 37.852 39.000 0.106 0.000 0.974 357 F HN 0.125 nan 8.300 nan 0.000 0.473 358 A N 0.512 123.540 122.820 0.347 0.000 1.884 358 A HA -0.215 4.100 4.320 -0.007 0.000 0.219 358 A C -0.177 177.462 177.584 0.090 0.000 1.197 358 A CA 2.376 54.519 52.037 0.177 0.000 0.637 358 A CB -2.239 16.705 19.000 -0.093 0.000 0.827 358 A HN 0.292 nan 8.150 nan 0.000 0.450 359 P HA -0.056 nan 4.420 nan 0.000 0.223 359 P C 1.531 178.867 177.300 0.060 0.000 1.151 359 P CA 1.039 64.175 63.100 0.060 0.000 0.787 359 P CB -0.145 31.596 31.700 0.068 0.000 0.788 360 M N -1.580 118.049 119.600 0.049 0.000 2.254 360 M HA -0.076 4.400 4.480 -0.007 0.000 0.265 360 M C 1.885 178.197 176.300 0.021 0.000 1.066 360 M CA 1.469 56.777 55.300 0.014 0.000 1.123 360 M CB -0.671 31.909 32.600 -0.033 0.000 1.388 360 M HN -0.067 nan 8.290 nan 0.000 0.425 361 L N -0.237 121.004 121.223 0.030 0.000 1.955 361 L HA -0.199 4.137 4.340 -0.007 0.000 0.213 361 L C 2.831 179.766 176.870 0.107 0.000 1.072 361 L CA 1.530 56.402 54.840 0.053 0.000 0.755 361 L CB -1.046 41.092 42.059 0.132 0.000 0.888 361 L HN 0.278 nan 8.230 nan 0.000 0.432 362 A N 0.012 122.920 122.820 0.146 0.000 1.884 362 A HA -0.258 4.057 4.320 -0.007 0.000 0.219 362 A C 2.304 179.964 177.584 0.125 0.000 1.197 362 A CA 1.995 54.116 52.037 0.140 0.000 0.637 362 A CB -1.035 18.039 19.000 0.124 0.000 0.827 362 A HN 0.397 nan 8.150 nan 0.000 0.450 363 L N -1.105 120.186 121.223 0.114 0.000 2.079 363 L HA -0.177 4.159 4.340 -0.007 0.000 0.210 363 L C 2.740 179.771 176.870 0.268 0.000 1.081 363 L CA 1.234 56.174 54.840 0.167 0.000 0.752 363 L CB -0.636 41.462 42.059 0.064 0.000 0.896 363 L HN 0.560 nan 8.230 nan 0.000 0.433 364 G N -1.702 107.248 108.800 0.250 0.000 2.408 364 G HA2 -0.179 3.777 3.960 -0.007 0.000 0.215 364 G HA3 -0.179 3.777 3.960 -0.007 0.000 0.215 364 G C 1.526 176.599 174.900 0.288 0.000 1.156 364 G CA 0.897 46.231 45.100 0.391 0.000 0.793 364 G HN 0.235 nan 8.290 nan 0.000 0.535 365 T N 0.986 115.637 114.554 0.163 0.000 2.720 365 T HA -0.119 4.226 4.350 -0.007 0.000 0.268 365 T C 2.542 177.324 174.700 0.136 0.000 1.037 365 T CA 1.272 63.453 62.100 0.135 0.000 1.144 365 T CB -0.196 68.743 68.868 0.119 0.000 0.864 365 T HN 0.053 nan 8.240 nan 0.000 0.444 366 V N 1.480 121.464 119.914 0.118 0.000 2.244 366 V HA -0.105 4.011 4.120 -0.007 0.000 0.244 366 V C 2.395 178.467 176.094 -0.038 0.000 1.042 366 V CA 1.561 63.894 62.300 0.054 0.000 1.006 366 V CB -0.695 31.170 31.823 0.069 0.000 0.641 366 V HN 0.368 nan 8.190 nan 0.000 0.446 367 L N 1.230 122.364 121.223 -0.148 0.000 2.127 367 L HA -0.048 4.287 4.340 -0.007 0.000 0.211 367 L C 2.200 179.036 176.870 -0.056 0.000 1.089 367 L CA 2.418 57.032 54.840 -0.377 0.000 0.757 367 L CB -1.193 40.401 42.059 -0.775 0.000 0.899 367 L HN 0.266 nan 8.230 nan 0.000 0.434 368 G N -1.655 107.245 108.800 0.167 0.000 2.433 368 G HA2 -0.247 3.708 3.960 -0.007 0.000 0.216 368 G HA3 -0.247 3.708 3.960 -0.007 0.000 0.216 368 G C 1.440 176.489 174.900 0.248 0.000 1.186 368 G CA 1.100 46.362 45.100 0.270 0.000 0.779 368 G HN 0.411 nan 8.290 nan 0.000 0.543 369 T N 1.686 116.343 114.554 0.172 0.000 2.684 369 T HA -0.071 4.275 4.350 -0.007 0.000 0.267 369 T C 2.784 177.536 174.700 0.086 0.000 1.036 369 T CA 1.781 63.971 62.100 0.150 0.000 1.148 369 T CB -0.403 68.551 68.868 0.144 0.000 0.863 369 T HN 0.383 nan 8.240 nan 0.000 0.436 370 A N 0.794 123.632 122.820 0.029 0.000 1.898 370 A HA 0.012 4.328 4.320 -0.007 0.000 0.216 370 A C 2.027 179.582 177.584 -0.049 0.000 1.181 370 A CA 1.356 53.373 52.037 -0.034 0.000 0.620 370 A CB -0.962 17.976 19.000 -0.103 0.000 0.819 370 A HN 0.515 nan 8.150 nan 0.000 0.442 371 F N 1.202 121.060 119.950 -0.153 0.000 2.069 371 F HA -0.069 4.454 4.527 -0.006 0.000 0.298 371 F C 2.333 177.944 175.800 -0.315 0.000 1.113 371 F CA 1.849 59.730 58.000 -0.198 0.000 1.214 371 F CB -0.741 38.171 39.000 -0.147 0.000 0.978 371 F HN 0.215 nan 8.300 nan 0.000 0.474 372 G N 0.727 109.446 108.800 -0.136 0.000 2.503 372 G HA2 -0.315 3.641 3.960 -0.007 0.000 0.221 372 G HA3 -0.315 3.641 3.960 -0.007 0.000 0.221 372 G C 1.649 176.336 174.900 -0.355 0.000 1.131 372 G CA 1.245 46.057 45.100 -0.480 0.000 0.756 372 G HN 0.428 nan 8.290 nan 0.000 0.572 373 M N -0.066 119.424 119.600 -0.184 0.000 2.117 373 M HA -0.077 4.399 4.480 -0.007 0.000 0.262 373 M C 2.734 178.906 176.300 -0.214 0.000 1.065 373 M CA 1.069 56.285 55.300 -0.141 0.000 1.114 373 M CB -0.425 32.133 32.600 -0.069 0.000 1.361 373 M HN 0.153 nan 8.290 nan 0.000 0.408 374 V N 0.397 120.131 119.914 -0.299 0.000 2.343 374 V HA -0.230 3.886 4.120 -0.007 0.000 0.247 374 V C 2.660 178.530 176.094 -0.374 0.000 1.051 374 V CA 1.932 64.039 62.300 -0.323 0.000 1.036 374 V CB -1.358 30.248 31.823 -0.362 0.000 0.654 374 V HN 0.503 nan 8.190 nan 0.000 0.451 375 A N -0.296 122.198 122.820 -0.543 0.000 1.902 375 A HA -0.173 4.143 4.320 -0.007 0.000 0.217 375 A C 2.415 179.903 177.584 -0.160 0.000 1.181 375 A CA 1.967 53.764 52.037 -0.401 0.000 0.623 375 A CB -0.776 17.704 19.000 -0.866 0.000 0.818 375 A HN 0.315 nan 8.150 nan 0.000 0.443 376 V N 0.803 120.592 119.914 -0.207 0.000 2.469 376 V HA -0.264 3.852 4.120 -0.007 0.000 0.251 376 V C 2.406 178.454 176.094 -0.077 0.000 1.064 376 V CA 2.553 64.806 62.300 -0.077 0.000 1.066 376 V CB -0.659 31.132 31.823 -0.052 0.000 0.667 376 V HN 0.948 nan 8.190 nan 0.000 0.461 377 E N -1.213 118.903 120.200 -0.139 0.000 2.447 377 E HA 0.033 4.379 4.350 -0.007 0.000 0.204 377 E C 1.657 178.110 176.600 -0.246 0.000 0.977 377 E CA 0.287 56.595 56.400 -0.154 0.000 0.950 377 E CB -0.493 29.129 29.700 -0.130 0.000 0.975 377 E HN 0.418 nan 8.360 nan 0.000 0.496 378 L N -0.234 120.771 121.223 -0.363 0.000 2.465 378 L HA 0.173 4.509 4.340 -0.007 0.000 0.224 378 L C -0.126 176.114 176.870 -1.050 0.000 1.145 378 L CA 0.842 55.251 54.840 -0.718 0.000 0.834 378 L CB 0.154 41.681 42.059 -0.888 0.000 0.944 378 L HN 0.102 nan 8.230 nan 0.000 0.451 379 F N -1.564 118.262 119.950 -0.206 0.000 2.872 379 F HA 0.282 4.805 4.527 -0.006 0.000 0.363 379 F C -1.704 173.973 175.800 -0.205 0.000 1.357 379 F CA -1.294 56.535 58.000 -0.286 0.000 1.174 379 F CB 0.466 39.209 39.000 -0.428 0.000 1.860 379 F HN -0.176 nan 8.300 nan 0.000 0.615 380 P HA -0.209 nan 4.420 nan 0.000 0.222 380 P C 1.297 178.481 177.300 -0.194 0.000 1.147 380 P CA 1.282 64.309 63.100 -0.122 0.000 0.790 380 P CB 0.288 31.914 31.700 -0.124 0.000 0.780 381 Q N -0.817 118.923 119.800 -0.100 0.000 2.311 381 Q HA -0.128 4.208 4.340 -0.007 0.000 0.203 381 Q C 1.871 177.993 176.000 0.203 0.000 0.954 381 Q CA 1.117 56.906 55.803 -0.023 0.000 0.885 381 Q CB -1.233 27.524 28.738 0.032 0.000 0.963 381 Q HN 0.395 nan 8.270 nan 0.000 0.471 382 Y N 0.698 121.041 120.300 0.073 0.000 2.509 382 Y HA -0.087 4.459 4.550 -0.007 0.000 0.293 382 Y C -0.106 175.914 175.900 0.200 0.000 1.133 382 Y CA 0.176 58.359 58.100 0.139 0.000 1.283 382 Y CB -0.056 38.469 38.460 0.107 0.000 1.001 382 Y HN 0.331 nan 8.280 nan 0.000 0.555 383 H N -0.263 118.954 119.070 0.244 0.000 2.672 383 H HA -0.154 4.398 4.556 -0.007 0.000 0.325 383 H C -0.474 174.951 175.328 0.162 0.000 1.158 383 H CA 0.107 56.250 56.048 0.158 0.000 1.134 383 H CB -1.962 27.870 29.762 0.116 0.000 1.553 383 H HN 0.231 nan 8.280 nan 0.000 0.419 384 L N 0.412 121.778 121.223 0.239 0.000 2.456 384 L HA 0.340 4.676 4.340 -0.007 0.000 0.257 384 L C 0.937 177.935 176.870 0.214 0.000 1.162 384 L CA -0.121 54.877 54.840 0.264 0.000 0.808 384 L CB 1.040 43.267 42.059 0.281 0.000 1.136 384 L HN 0.497 nan 8.230 nan 0.000 0.466 385 E N 0.341 120.695 120.200 0.256 0.000 2.316 385 E HA 0.357 4.703 4.350 -0.007 0.000 0.254 385 E C 0.167 176.931 176.600 0.273 0.000 0.902 385 E CA -0.420 56.099 56.400 0.197 0.000 0.801 385 E CB 1.748 31.535 29.700 0.144 0.000 1.270 385 E HN 0.672 nan 8.360 nan 0.000 0.414 386 A N 3.934 126.882 122.820 0.214 0.000 2.009 386 A HA -0.232 4.084 4.320 -0.007 0.000 0.222 386 A C 1.965 179.741 177.584 0.320 0.000 1.175 386 A CA 2.201 54.383 52.037 0.241 0.000 0.651 386 A CB -1.101 17.968 19.000 0.116 0.000 0.815 386 A HN 0.846 nan 8.150 nan 0.000 0.459 387 G N -0.305 108.625 108.800 0.215 0.000 2.547 387 G HA2 -0.371 3.585 3.960 -0.007 0.000 0.221 387 G HA3 -0.371 3.585 3.960 -0.007 0.000 0.221 387 G C 1.761 176.753 174.900 0.153 0.000 1.140 387 G CA 2.430 47.628 45.100 0.163 0.000 0.760 387 G HN 0.815 nan 8.290 nan 0.000 0.583 388 T N -1.050 113.586 114.554 0.136 0.000 2.788 388 T HA -0.062 4.284 4.350 -0.007 0.000 0.268 388 T C 2.091 176.775 174.700 -0.026 0.000 1.044 388 T CA 1.282 63.366 62.100 -0.027 0.000 1.139 388 T CB -0.466 68.308 68.868 -0.158 0.000 0.867 388 T HN 0.207 nan 8.240 nan 0.000 0.454 389 F N 2.093 122.177 119.950 0.223 0.000 2.407 389 F HA 0.376 4.900 4.527 -0.007 0.000 0.299 389 F C 2.829 178.727 175.800 0.162 0.000 1.097 389 F CA 0.163 58.311 58.000 0.247 0.000 1.422 389 F CB -0.849 38.306 39.000 0.257 0.000 1.067 389 F HN 0.254 nan 8.300 nan 0.000 0.539 390 A N 1.058 124.052 122.820 0.290 0.000 1.845 390 A HA -0.158 4.158 4.320 -0.007 0.000 0.215 390 A C 2.097 179.734 177.584 0.088 0.000 1.195 390 A CA 1.725 53.868 52.037 0.177 0.000 0.616 390 A CB -1.159 17.932 19.000 0.152 0.000 0.832 390 A HN 0.377 nan 8.150 nan 0.000 0.443 391 I N -0.211 120.383 120.570 0.041 0.000 3.083 391 I HA -0.130 4.036 4.170 -0.007 0.000 0.273 391 I C 2.441 178.504 176.117 -0.090 0.000 1.297 391 I CA 0.581 61.861 61.300 -0.033 0.000 1.452 391 I CB -0.271 37.695 38.000 -0.057 0.000 1.078 391 I HN 0.366 nan 8.210 nan 0.000 0.484 392 A N 1.005 123.786 122.820 -0.066 0.000 1.871 392 A HA 0.151 4.467 4.320 -0.007 0.000 0.211 392 A C 2.373 179.857 177.584 -0.166 0.000 1.207 392 A CA 1.021 52.984 52.037 -0.123 0.000 0.620 392 A CB -1.110 17.879 19.000 -0.019 0.000 0.860 392 A HN 0.373 nan 8.150 nan 0.000 0.450 393 G N -0.656 108.084 108.800 -0.099 0.000 2.679 393 G HA2 -0.082 3.873 3.960 -0.007 0.000 0.212 393 G HA3 -0.082 3.873 3.960 -0.007 0.000 0.212 393 G C 1.408 176.137 174.900 -0.285 0.000 1.137 393 G CA 0.913 45.840 45.100 -0.289 0.000 0.787 393 G HN 0.471 nan 8.290 nan 0.000 0.534 394 M N 0.740 120.251 119.600 -0.149 0.000 2.132 394 M HA 0.065 4.541 4.480 -0.007 0.000 0.263 394 M C 2.184 178.377 176.300 -0.178 0.000 1.065 394 M CA 1.754 56.991 55.300 -0.104 0.000 1.122 394 M CB 0.032 32.590 32.600 -0.068 0.000 1.365 394 M HN 0.153 nan 8.290 nan 0.000 0.411 395 G N -1.247 107.408 108.800 -0.241 0.000 3.284 395 G HA2 0.350 4.305 3.960 -0.007 0.000 0.236 395 G HA3 0.350 4.305 3.960 -0.007 0.000 0.236 395 G C 1.080 175.779 174.900 -0.334 0.000 1.158 395 G CA 0.467 45.409 45.100 -0.264 0.000 0.774 395 G HN 0.564 nan 8.290 nan 0.000 0.545 396 A N 0.280 122.786 122.820 -0.522 0.000 1.935 396 A HA 0.270 4.586 4.320 -0.007 0.000 0.214 396 A C 2.176 179.512 177.584 -0.414 0.000 1.178 396 A CA 0.366 51.962 52.037 -0.734 0.000 0.640 396 A CB -0.220 17.789 19.000 -1.652 0.000 0.825 396 A HN 0.322 nan 8.150 nan 0.000 0.447 397 L N -0.171 120.940 121.223 -0.186 0.000 2.083 397 L HA -0.119 4.217 4.340 -0.007 0.000 0.209 397 L C 2.258 179.091 176.870 -0.061 0.000 1.083 397 L CA 0.912 55.800 54.840 0.081 0.000 0.752 397 L CB -0.410 41.737 42.059 0.147 0.000 0.899 397 L HN 0.387 nan 8.230 nan 0.000 0.433 398 L N -0.587 120.523 121.223 -0.188 0.000 2.447 398 L HA -0.215 4.121 4.340 -0.007 0.000 0.225 398 L C 2.268 179.028 176.870 -0.184 0.000 1.148 398 L CA 1.136 55.805 54.840 -0.284 0.000 0.808 398 L CB -0.445 41.373 42.059 -0.403 0.000 0.928 398 L HN 0.304 nan 8.230 nan 0.000 0.448 399 A N -1.451 121.289 122.820 -0.133 0.000 2.070 399 A HA 0.321 4.637 4.320 -0.007 0.000 0.202 399 A C 2.187 179.752 177.584 -0.033 0.000 1.277 399 A CA 0.645 52.631 52.037 -0.085 0.000 0.872 399 A CB -0.044 18.892 19.000 -0.107 0.000 0.933 399 A HN 0.256 nan 8.150 nan 0.000 0.475 400 A N -0.739 122.086 122.820 0.008 0.000 2.132 400 A HA 0.300 4.615 4.320 -0.007 0.000 0.213 400 A C 2.002 179.610 177.584 0.040 0.000 1.154 400 A CA 1.635 53.701 52.037 0.049 0.000 0.753 400 A CB -0.160 18.920 19.000 0.133 0.000 0.826 400 A HN 0.360 nan 8.150 nan 0.000 0.469 401 S N -0.766 114.960 115.700 0.043 0.000 2.738 401 S HA 0.202 4.667 4.470 -0.007 0.000 0.216 401 S C 1.572 176.193 174.600 0.034 0.000 0.968 401 S CA 0.403 58.637 58.200 0.057 0.000 0.879 401 S CB -0.362 62.925 63.200 0.146 0.000 0.837 401 S HN 0.402 nan 8.310 nan 0.000 0.622 402 I N 1.447 122.028 120.570 0.018 0.000 2.567 402 I HA -0.008 4.158 4.170 -0.007 0.000 0.257 402 I C 0.454 176.596 176.117 0.042 0.000 1.184 402 I CA 0.652 61.978 61.300 0.044 0.000 1.451 402 I CB -0.044 37.974 38.000 0.030 0.000 1.089 402 I HN 0.193 nan 8.210 nan 0.000 0.441 403 R N 0.121 120.625 120.500 0.007 0.000 3.532 403 R HA -0.148 4.188 4.340 -0.007 0.000 0.284 403 R C -0.223 176.078 176.300 0.002 0.000 1.140 403 R CA 0.773 56.871 56.100 -0.003 0.000 0.768 403 R CB -2.322 27.977 30.300 -0.001 0.000 1.252 403 R HN 0.397 nan 8.270 nan 0.000 0.454 404 A N -0.019 122.805 122.820 0.007 0.000 3.258 404 A HA 0.469 4.785 4.320 -0.007 0.000 0.318 404 A C -1.172 176.417 177.584 0.008 0.000 0.990 404 A CA -0.909 51.150 52.037 0.036 0.000 0.885 404 A CB 0.897 19.984 19.000 0.145 0.000 1.090 404 A HN -0.032 nan 8.150 nan 0.000 0.479 405 P HA -0.186 nan 4.420 nan 0.000 0.214 405 P C 1.724 179.001 177.300 -0.038 0.000 1.162 405 P CA 0.766 63.835 63.100 -0.052 0.000 0.879 405 P CB 0.204 31.871 31.700 -0.054 0.000 0.786 406 L N -0.141 121.073 121.223 -0.015 0.000 1.997 406 L HA -0.176 4.160 4.340 -0.007 0.000 0.216 406 L C 2.480 179.361 176.870 0.018 0.000 1.074 406 L CA 2.492 57.330 54.840 -0.003 0.000 0.763 406 L CB -1.834 40.227 42.059 0.003 0.000 0.890 406 L HN -0.027 nan 8.230 nan 0.000 0.434 407 T N -0.502 114.092 114.554 0.067 0.000 2.570 407 T HA -0.230 4.116 4.350 -0.007 0.000 0.266 407 T C 1.629 176.345 174.700 0.027 0.000 1.071 407 T CA 1.984 64.156 62.100 0.120 0.000 1.172 407 T CB -1.051 68.014 68.868 0.329 0.000 0.864 407 T HN 0.664 nan 8.240 nan 0.000 0.421 408 G N 0.434 109.212 108.800 -0.036 0.000 2.485 408 G HA2 -0.174 3.782 3.960 -0.007 0.000 0.221 408 G HA3 -0.174 3.782 3.960 -0.007 0.000 0.221 408 G C 1.531 176.355 174.900 -0.128 0.000 1.115 408 G CA 0.786 45.803 45.100 -0.139 0.000 0.751 408 G HN 0.553 nan 8.290 nan 0.000 0.567 409 I N 0.235 120.751 120.570 -0.090 0.000 2.333 409 I HA -0.029 4.137 4.170 -0.007 0.000 0.246 409 I C 2.442 178.524 176.117 -0.058 0.000 1.106 409 I CA 0.197 61.445 61.300 -0.087 0.000 1.411 409 I CB -0.064 37.889 38.000 -0.077 0.000 1.082 409 I HN 0.031 nan 8.210 nan 0.000 0.420 410 I N 0.413 120.966 120.570 -0.028 0.000 2.286 410 I HA -0.255 3.911 4.170 -0.007 0.000 0.248 410 I C 2.445 178.543 176.117 -0.031 0.000 1.115 410 I CA 1.397 62.691 61.300 -0.009 0.000 1.392 410 I CB -0.902 37.108 38.000 0.017 0.000 1.065 410 I HN 0.213 nan 8.210 nan 0.000 0.418 411 L N 0.778 121.966 121.223 -0.059 0.000 1.924 411 L HA -0.224 4.112 4.340 -0.007 0.000 0.222 411 L C 2.618 179.412 176.870 -0.128 0.000 1.081 411 L CA 1.833 56.605 54.840 -0.114 0.000 0.780 411 L CB -1.157 40.785 42.059 -0.194 0.000 0.891 411 L HN 0.004 nan 8.230 nan 0.000 0.434 412 V N -0.324 119.502 119.914 -0.148 0.000 2.311 412 V HA -0.356 3.760 4.120 -0.007 0.000 0.256 412 V C 2.604 178.643 176.094 -0.092 0.000 1.077 412 V CA 2.175 64.396 62.300 -0.133 0.000 1.067 412 V CB -0.731 31.008 31.823 -0.141 0.000 0.659 412 V HN 0.582 nan 8.190 nan 0.000 0.451 413 L N -0.476 120.707 121.223 -0.066 0.000 2.131 413 L HA -0.162 4.174 4.340 -0.007 0.000 0.210 413 L C 2.339 179.199 176.870 -0.016 0.000 1.092 413 L CA 1.944 56.770 54.840 -0.024 0.000 0.759 413 L CB -0.356 41.713 42.059 0.016 0.000 0.903 413 L HN 0.369 nan 8.230 nan 0.000 0.435 414 E N -1.418 118.763 120.200 -0.031 0.000 2.230 414 E HA -0.104 4.242 4.350 -0.007 0.000 0.192 414 E C 2.104 178.686 176.600 -0.031 0.000 0.987 414 E CA 0.866 57.253 56.400 -0.023 0.000 0.841 414 E CB 0.026 29.714 29.700 -0.021 0.000 0.783 414 E HN 0.526 nan 8.360 nan 0.000 0.481 415 M N 0.112 119.677 119.600 -0.059 0.000 2.115 415 M HA -0.078 4.398 4.480 -0.007 0.000 0.261 415 M C 2.566 178.827 176.300 -0.063 0.000 1.079 415 M CA 1.647 56.900 55.300 -0.078 0.000 1.143 415 M CB -0.304 32.211 32.600 -0.142 0.000 1.332 415 M HN 0.093 nan 8.290 nan 0.000 0.421 416 T N -2.609 111.908 114.554 -0.062 0.000 3.148 416 T HA -0.080 4.266 4.350 -0.007 0.000 0.253 416 T C 0.686 175.372 174.700 -0.024 0.000 1.134 416 T CA 0.245 62.318 62.100 -0.045 0.000 1.051 416 T CB -0.494 68.344 68.868 -0.051 0.000 0.959 416 T HN 0.436 nan 8.240 nan 0.000 0.525 417 D N 1.952 122.344 120.400 -0.013 0.000 2.745 417 D HA -0.182 4.453 4.640 -0.007 0.000 0.225 417 D C -0.648 175.661 176.300 0.015 0.000 1.212 417 D CA 0.455 54.460 54.000 0.008 0.000 0.632 417 D CB -1.460 39.344 40.800 0.008 0.000 0.994 417 D HN 0.617 nan 8.370 nan 0.000 0.407 418 N N 0.890 119.593 118.700 0.006 0.000 2.735 418 N HA -0.012 4.724 4.740 -0.007 0.000 0.312 418 N C 0.728 176.228 175.510 -0.016 0.000 1.843 418 N CA -0.403 52.641 53.050 -0.010 0.000 0.945 418 N CB 0.257 38.715 38.487 -0.048 0.000 1.299 418 N HN 0.311 nan 8.380 nan 0.000 0.489 419 Y N 2.239 122.503 120.300 -0.059 0.000 2.384 419 Y HA -0.242 4.304 4.550 -0.007 0.000 0.289 419 Y C 1.927 177.782 175.900 -0.076 0.000 1.152 419 Y CA 1.831 59.893 58.100 -0.064 0.000 1.258 419 Y CB 0.254 38.684 38.460 -0.049 0.000 0.979 419 Y HN 0.340 nan 8.280 nan 0.000 0.549 420 Q N -0.284 119.388 119.800 -0.214 0.000 2.515 420 Q HA 0.050 4.386 4.340 -0.007 0.000 0.214 420 Q C 0.840 176.663 176.000 -0.296 0.000 0.971 420 Q CA 1.142 56.788 55.803 -0.262 0.000 0.952 420 Q CB -0.520 28.151 28.738 -0.113 0.000 0.999 420 Q HN 0.555 nan 8.270 nan 0.000 0.524 421 L N -0.335 120.696 121.223 -0.322 0.000 2.808 421 L HA 0.297 4.633 4.340 -0.007 0.000 0.246 421 L C 1.501 178.135 176.870 -0.394 0.000 1.153 421 L CA -0.180 54.457 54.840 -0.338 0.000 0.956 421 L CB 0.075 41.969 42.059 -0.274 0.000 1.270 421 L HN 0.316 nan 8.230 nan 0.000 0.528 422 I N 0.035 120.323 120.570 -0.471 0.000 2.335 422 I HA -0.328 3.838 4.170 -0.007 0.000 0.251 422 I C 2.171 178.089 176.117 -0.333 0.000 1.129 422 I CA 1.532 62.579 61.300 -0.421 0.000 1.402 422 I CB 0.387 38.012 38.000 -0.625 0.000 1.069 422 I HN 0.315 nan 8.210 nan 0.000 0.424 423 L N 1.260 122.274 121.223 -0.348 0.000 2.007 423 L HA -0.062 4.274 4.340 -0.007 0.000 0.205 423 L C -0.571 176.093 176.870 -0.342 0.000 1.073 423 L CA 1.811 56.484 54.840 -0.278 0.000 0.744 423 L CB -1.437 40.484 42.059 -0.231 0.000 0.898 423 L HN 0.091 nan 8.230 nan 0.000 0.435 424 P HA -0.210 nan 4.420 nan 0.000 0.216 424 P C 1.796 178.746 177.300 -0.583 0.000 1.150 424 P CA 1.746 64.312 63.100 -0.890 0.000 0.843 424 P CB -0.046 30.658 31.700 -1.661 0.000 0.787 425 M N -1.878 117.461 119.600 -0.435 0.000 2.099 425 M HA -0.124 4.352 4.480 -0.007 0.000 0.262 425 M C 2.116 178.285 176.300 -0.217 0.000 1.067 425 M CA 1.792 56.913 55.300 -0.299 0.000 1.124 425 M CB -0.754 31.695 32.600 -0.251 0.000 1.353 425 M HN -0.107 nan 8.290 nan 0.000 0.410 426 I N 0.117 120.572 120.570 -0.191 0.000 2.163 426 I HA -0.311 3.855 4.170 -0.007 0.000 0.243 426 I C 2.119 178.171 176.117 -0.108 0.000 1.085 426 I CA 1.059 62.281 61.300 -0.130 0.000 1.347 426 I CB -0.361 37.576 38.000 -0.105 0.000 1.044 426 I HN 0.198 nan 8.210 nan 0.000 0.408 427 I N 0.652 121.153 120.570 -0.115 0.000 2.099 427 I HA -0.286 3.880 4.170 -0.007 0.000 0.239 427 I C 2.630 178.723 176.117 -0.040 0.000 1.066 427 I CA 1.851 63.117 61.300 -0.056 0.000 1.324 427 I CB -1.603 36.378 38.000 -0.032 0.000 1.037 427 I HN 0.187 nan 8.210 nan 0.000 0.401 428 T N 0.497 115.014 114.554 -0.061 0.000 2.737 428 T HA -0.184 4.162 4.350 -0.007 0.000 0.269 428 T C 1.969 176.611 174.700 -0.098 0.000 1.040 428 T CA 1.588 63.654 62.100 -0.056 0.000 1.142 428 T CB -1.048 67.764 68.868 -0.094 0.000 0.861 428 T HN 0.567 nan 8.240 nan 0.000 0.456 429 G N 0.994 109.721 108.800 -0.122 0.000 2.434 429 G HA2 -0.076 3.880 3.960 -0.007 0.000 0.214 429 G HA3 -0.076 3.880 3.960 -0.007 0.000 0.214 429 G C 1.462 176.319 174.900 -0.073 0.000 1.202 429 G CA 0.386 45.411 45.100 -0.125 0.000 0.788 429 G HN 0.360 nan 8.290 nan 0.000 0.539 430 L N 1.540 122.732 121.223 -0.052 0.000 2.046 430 L HA 0.130 4.466 4.340 -0.007 0.000 0.208 430 L C 3.026 179.896 176.870 0.001 0.000 1.077 430 L CA 1.921 56.745 54.840 -0.025 0.000 0.747 430 L CB -0.969 41.080 42.059 -0.018 0.000 0.896 430 L HN 0.247 nan 8.230 nan 0.000 0.432 431 G N -0.934 107.874 108.800 0.014 0.000 2.599 431 G HA2 -0.410 3.546 3.960 -0.007 0.000 0.219 431 G HA3 -0.410 3.546 3.960 -0.007 0.000 0.219 431 G C 1.640 176.571 174.900 0.051 0.000 1.193 431 G CA 1.357 46.484 45.100 0.045 0.000 0.778 431 G HN 0.595 nan 8.290 nan 0.000 0.589 432 A N 0.170 123.011 122.820 0.036 0.000 1.883 432 A HA -0.067 4.249 4.320 -0.007 0.000 0.217 432 A C 2.619 180.221 177.584 0.029 0.000 1.186 432 A CA 2.994 55.065 52.037 0.058 0.000 0.624 432 A CB -1.205 17.823 19.000 0.046 0.000 0.822 432 A HN 0.442 nan 8.150 nan 0.000 0.444 433 T N 0.400 114.949 114.554 -0.008 0.000 2.684 433 T HA -0.155 4.191 4.350 -0.007 0.000 0.267 433 T C 1.845 176.511 174.700 -0.057 0.000 1.036 433 T CA 1.513 63.593 62.100 -0.034 0.000 1.148 433 T CB -0.573 68.266 68.868 -0.048 0.000 0.863 433 T HN 0.308 nan 8.240 nan 0.000 0.436 434 L N 0.183 121.384 121.223 -0.036 0.000 2.012 434 L HA -0.064 4.272 4.340 -0.007 0.000 0.210 434 L C 2.650 179.529 176.870 0.015 0.000 1.073 434 L CA 1.084 55.898 54.840 -0.043 0.000 0.748 434 L CB -0.536 41.567 42.059 0.073 0.000 0.891 434 L HN 0.227 nan 8.230 nan 0.000 0.431 435 L N -0.778 120.500 121.223 0.091 0.000 2.376 435 L HA -0.083 4.253 4.340 -0.007 0.000 0.219 435 L C 2.518 179.442 176.870 0.089 0.000 1.133 435 L CA 1.452 56.377 54.840 0.141 0.000 0.816 435 L CB -0.968 41.171 42.059 0.133 0.000 0.933 435 L HN 0.256 nan 8.230 nan 0.000 0.449 436 A N -1.333 121.503 122.820 0.028 0.000 1.984 436 A HA -0.155 4.161 4.320 -0.007 0.000 0.214 436 A C 2.161 179.723 177.584 -0.036 0.000 1.173 436 A CA 0.561 52.603 52.037 0.007 0.000 0.673 436 A CB -0.242 18.760 19.000 0.004 0.000 0.830 436 A HN 0.393 nan 8.150 nan 0.000 0.453 437 Q N -1.097 118.631 119.800 -0.121 0.000 2.119 437 Q HA -0.141 4.195 4.340 -0.007 0.000 0.201 437 Q C 1.225 177.107 176.000 -0.197 0.000 0.972 437 Q CA 1.444 57.117 55.803 -0.218 0.000 0.847 437 Q CB -0.148 28.361 28.738 -0.381 0.000 0.903 437 Q HN 0.620 nan 8.270 nan 0.000 0.433 438 F N 0.187 120.147 119.950 0.017 0.000 2.661 438 F HA -0.013 4.509 4.527 -0.007 0.000 0.298 438 F C 1.966 177.774 175.800 0.013 0.000 1.137 438 F CA 1.239 59.249 58.000 0.016 0.000 1.454 438 F CB -0.037 38.974 39.000 0.019 0.000 1.103 438 F HN 0.090 nan 8.300 nan 0.000 0.577 439 T N -3.363 111.280 114.554 0.148 0.000 3.223 439 T HA 0.440 4.786 4.350 -0.007 0.000 0.259 439 T C 1.548 176.273 174.700 0.042 0.000 1.015 439 T CA 0.204 62.357 62.100 0.087 0.000 0.908 439 T CB -0.196 68.711 68.868 0.065 0.000 1.054 439 T HN 0.375 nan 8.240 nan 0.000 0.567 440 G N 0.711 109.535 108.800 0.040 0.000 2.203 440 G HA2 -0.124 3.832 3.960 -0.007 0.000 0.263 440 G HA3 -0.124 3.832 3.960 -0.007 0.000 0.263 440 G C 0.511 175.406 174.900 -0.009 0.000 1.012 440 G CA -0.191 44.918 45.100 0.014 0.000 0.749 440 G HN 1.055 nan 8.290 nan 0.000 0.512 441 G N -0.891 107.897 108.800 -0.019 0.000 2.606 441 G HA2 0.549 4.505 3.960 -0.007 0.000 0.252 441 G HA3 0.549 4.505 3.960 -0.007 0.000 0.252 441 G C 0.070 174.956 174.900 -0.023 0.000 1.206 441 G CA -0.053 45.029 45.100 -0.030 0.000 0.861 441 G HN 0.508 nan 8.290 nan 0.000 0.561 442 K N 0.286 120.676 120.400 -0.016 0.000 2.444 442 K HA 0.374 4.690 4.320 -0.007 0.000 0.252 442 K C -2.794 173.811 176.600 0.008 0.000 0.993 442 K CA -1.759 54.527 56.287 -0.002 0.000 0.847 442 K CB 2.456 34.960 32.500 0.007 0.000 1.340 442 K HN 0.157 nan 8.250 nan 0.000 0.446 443 P HA 0.002 nan 4.420 nan 0.000 0.269 443 P C 0.637 177.967 177.300 0.050 0.000 1.252 443 P CA -0.113 63.009 63.100 0.035 0.000 0.780 443 P CB 0.336 32.060 31.700 0.039 0.000 0.829 444 L N 3.002 124.256 121.223 0.052 0.000 2.261 444 L HA -0.166 4.170 4.340 -0.007 0.000 0.216 444 L C 1.245 178.175 176.870 0.101 0.000 1.114 444 L CA 1.714 56.591 54.840 0.061 0.000 0.777 444 L CB -0.411 41.676 42.059 0.046 0.000 0.910 444 L HN 0.345 nan 8.230 nan 0.000 0.440 445 L N -1.051 120.243 121.223 0.118 0.000 2.068 445 L HA -0.052 4.283 4.340 -0.007 0.000 0.204 445 L C 2.571 179.500 176.870 0.100 0.000 1.076 445 L CA 1.440 56.362 54.840 0.137 0.000 0.753 445 L CB -0.985 41.170 42.059 0.160 0.000 0.910 445 L HN 0.067 nan 8.230 nan 0.000 0.439 446 S N -0.858 114.891 115.700 0.082 0.000 2.496 446 S HA 0.091 4.557 4.470 -0.007 0.000 0.224 446 S C 2.019 176.662 174.600 0.072 0.000 0.996 446 S CA 0.627 58.874 58.200 0.079 0.000 0.927 446 S CB 0.034 63.287 63.200 0.089 0.000 0.774 446 S HN 0.421 nan 8.310 nan 0.000 0.524 447 A N 2.027 124.885 122.820 0.064 0.000 1.872 447 A HA 0.008 4.324 4.320 -0.007 0.000 0.214 447 A C 1.944 179.558 177.584 0.049 0.000 1.187 447 A CA 0.880 52.946 52.037 0.048 0.000 0.614 447 A CB -0.493 18.529 19.000 0.037 0.000 0.826 447 A HN 0.386 nan 8.150 nan 0.000 0.442 448 I N -0.406 120.204 120.570 0.067 0.000 2.099 448 I HA -0.216 3.950 4.170 -0.007 0.000 0.239 448 I C 2.474 178.623 176.117 0.053 0.000 1.066 448 I CA 1.400 62.742 61.300 0.068 0.000 1.324 448 I CB -1.212 36.852 38.000 0.108 0.000 1.037 448 I HN 0.359 nan 8.210 nan 0.000 0.401 449 L N 1.533 122.791 121.223 0.059 0.000 2.051 449 L HA -0.219 4.117 4.340 -0.007 0.000 0.214 449 L C 2.559 179.451 176.870 0.037 0.000 1.076 449 L CA 2.325 57.193 54.840 0.046 0.000 0.758 449 L CB -0.981 41.108 42.059 0.051 0.000 0.890 449 L HN 0.240 nan 8.230 nan 0.000 0.433 450 A N -0.619 122.224 122.820 0.039 0.000 1.902 450 A HA -0.181 4.135 4.320 -0.007 0.000 0.217 450 A C 2.263 179.855 177.584 0.014 0.000 1.181 450 A CA 1.490 53.542 52.037 0.025 0.000 0.623 450 A CB -0.479 18.535 19.000 0.024 0.000 0.818 450 A HN 0.487 nan 8.150 nan 0.000 0.443 451 R N -0.709 119.800 120.500 0.015 0.000 2.120 451 R HA -0.082 4.254 4.340 -0.007 0.000 0.234 451 R C 2.015 178.316 176.300 0.002 0.000 1.123 451 R CA 1.731 57.835 56.100 0.005 0.000 0.975 451 R CB -1.331 28.972 30.300 0.005 0.000 0.866 451 R HN 0.503 nan 8.270 nan 0.000 0.446 452 T N 1.447 116.006 114.554 0.009 0.000 2.851 452 T HA 0.003 4.349 4.350 -0.007 0.000 0.262 452 T C 1.751 176.455 174.700 0.006 0.000 1.043 452 T CA 0.549 62.653 62.100 0.007 0.000 1.140 452 T CB 0.002 68.877 68.868 0.012 0.000 0.872 452 T HN -0.047 nan 8.240 nan 0.000 0.446 453 L N 1.027 122.256 121.223 0.010 0.000 2.156 453 L HA 0.241 4.577 4.340 -0.007 0.000 0.208 453 L C 2.579 179.451 176.870 0.004 0.000 1.095 453 L CA 1.144 55.989 54.840 0.009 0.000 0.770 453 L CB -1.005 41.062 42.059 0.013 0.000 0.914 453 L HN 0.203 nan 8.230 nan 0.000 0.439 454 A N -1.417 121.404 122.820 0.001 0.000 1.930 454 A HA -0.139 4.177 4.320 -0.007 0.000 0.215 454 A C 2.265 179.846 177.584 -0.005 0.000 1.176 454 A CA 0.990 53.024 52.037 -0.004 0.000 0.632 454 A CB -0.286 18.711 19.000 -0.006 0.000 0.819 454 A HN 0.283 nan 8.150 nan 0.000 0.445 455 K N -0.647 119.749 120.400 -0.007 0.000 2.525 455 K HA 0.009 4.325 4.320 -0.007 0.000 0.192 455 K C 1.996 178.593 176.600 -0.004 0.000 1.029 455 K CA 0.495 56.776 56.287 -0.010 0.000 1.029 455 K CB 0.023 32.512 32.500 -0.019 0.000 0.814 455 K HN 0.620 nan 8.250 nan 0.000 0.503 456 Q N 0.377 120.177 119.800 -0.000 0.000 2.134 456 Q HA -0.049 4.287 4.340 -0.007 0.000 0.195 456 Q C 0.937 176.939 176.000 0.004 0.000 0.958 456 Q CA 0.899 56.705 55.803 0.004 0.000 0.840 456 Q CB 0.386 29.128 28.738 0.007 0.000 0.918 456 Q HN 0.228 nan 8.270 nan 0.000 0.467 457 E N -0.551 119.651 120.200 0.003 0.000 2.485 457 E HA 0.008 4.354 4.350 -0.007 0.000 0.194 457 E C 0.370 176.970 176.600 0.000 0.000 1.098 457 E CA 0.041 56.442 56.400 0.002 0.000 0.878 457 E CB 0.316 30.017 29.700 0.000 0.000 0.939 457 E HN 0.265 nan 8.360 nan 0.000 0.503 458 A N 1.506 124.325 122.820 -0.001 0.000 2.379 458 A HA 0.001 4.317 4.320 -0.007 0.000 0.236 458 A C 0.453 178.037 177.584 -0.001 0.000 1.272 458 A CA -0.198 51.838 52.037 -0.003 0.000 0.886 458 A CB 0.050 19.046 19.000 -0.007 0.000 0.962 458 A HN 0.197 nan 8.150 nan 0.000 0.504 459 E N 0.872 121.073 120.200 0.002 0.000 3.167 459 E HA 0.337 4.683 4.350 -0.007 0.000 0.212 459 E C -1.071 175.533 176.600 0.006 0.000 1.143 459 E CA -0.635 55.769 56.400 0.005 0.000 1.002 459 E CB 0.325 30.029 29.700 0.008 0.000 1.315 459 E HN 0.314 nan 8.360 nan 0.000 0.422 460 Q N 0.000 119.803 119.800 0.004 0.000 2.315 460 Q HA 0.000 4.336 4.340 -0.007 0.000 0.214 460 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 460 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481