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 2fee_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 QFTGGKPLYS 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 -0.019 0.000 0.893 17 R CA 0.000 56.090 56.100 -0.017 0.000 0.921 17 R CB 0.000 30.289 30.300 -0.018 0.000 0.687 18 R N 2.179 122.670 120.500 -0.016 0.000 2.073 18 R HA -0.056 4.282 4.340 -0.004 0.000 0.234 18 R C 2.094 178.385 176.300 -0.015 0.000 1.134 18 R CA 2.139 58.230 56.100 -0.015 0.000 0.952 18 R CB -0.124 30.169 30.300 -0.012 0.000 0.850 18 R HN 0.292 nan 8.270 nan 0.000 0.433 19 R N 0.744 121.236 120.500 -0.012 0.000 2.105 19 R HA -0.232 4.106 4.340 -0.004 0.000 0.239 19 R C 2.392 178.684 176.300 -0.013 0.000 1.135 19 R CA 2.205 58.298 56.100 -0.011 0.000 0.967 19 R CB -0.338 29.957 30.300 -0.009 0.000 0.861 19 R HN 0.400 nan 8.270 nan 0.000 0.442 20 Q N 0.115 119.906 119.800 -0.016 0.000 2.061 20 Q HA -0.197 4.140 4.340 -0.004 0.000 0.204 20 Q C 1.999 177.985 176.000 -0.023 0.000 0.984 20 Q CA 1.824 57.615 55.803 -0.019 0.000 0.846 20 Q CB -0.297 28.427 28.738 -0.024 0.000 0.902 20 Q HN 0.403 nan 8.270 nan 0.000 0.421 21 L N 0.642 121.849 121.223 -0.026 0.000 2.042 21 L HA -0.166 4.172 4.340 -0.004 0.000 0.210 21 L C 2.081 178.939 176.870 -0.021 0.000 1.076 21 L CA 1.723 56.546 54.840 -0.028 0.000 0.749 21 L CB -0.670 41.372 42.059 -0.028 0.000 0.893 21 L HN 0.443 nan 8.230 nan 0.000 0.432 22 I N -0.901 119.659 120.570 -0.016 0.000 2.208 22 I HA -0.325 3.843 4.170 -0.004 0.000 0.245 22 I C 2.633 178.743 176.117 -0.011 0.000 1.097 22 I CA 1.427 62.719 61.300 -0.012 0.000 1.363 22 I CB -0.370 37.624 38.000 -0.010 0.000 1.051 22 I HN 0.260 nan 8.210 nan 0.000 0.413 23 R N 1.064 121.558 120.500 -0.011 0.000 2.075 23 R HA -0.156 4.182 4.340 -0.004 0.000 0.232 23 R C 2.162 178.456 176.300 -0.009 0.000 1.126 23 R CA 1.674 57.768 56.100 -0.009 0.000 0.963 23 R CB -0.472 29.823 30.300 -0.008 0.000 0.858 23 R HN 0.407 nan 8.270 nan 0.000 0.435 24 Q N -0.122 119.670 119.800 -0.014 0.000 2.020 24 Q HA -0.123 4.215 4.340 -0.004 0.000 0.202 24 Q C 2.214 178.208 176.000 -0.010 0.000 0.982 24 Q CA 1.870 57.665 55.803 -0.014 0.000 0.838 24 Q CB -0.238 28.483 28.738 -0.027 0.000 0.899 24 Q HN 0.317 nan 8.270 nan 0.000 0.423 25 L N 0.444 121.660 121.223 -0.013 0.000 1.990 25 L HA -0.255 4.083 4.340 -0.004 0.000 0.213 25 L C 2.292 179.158 176.870 -0.007 0.000 1.072 25 L CA 1.214 56.048 54.840 -0.010 0.000 0.755 25 L CB -0.568 41.484 42.059 -0.011 0.000 0.889 25 L HN 0.267 nan 8.230 nan 0.000 0.432 26 L N -0.737 120.482 121.223 -0.007 0.000 2.450 26 L HA -0.125 4.213 4.340 -0.004 0.000 0.224 26 L C 1.559 178.427 176.870 -0.003 0.000 1.149 26 L CA 0.626 55.463 54.840 -0.005 0.000 0.816 26 L CB -0.274 41.782 42.059 -0.005 0.000 0.932 26 L HN 0.255 nan 8.230 nan 0.000 0.449 27 E N -0.216 119.983 120.200 -0.002 0.000 2.624 27 E HA 0.148 4.496 4.350 -0.004 0.000 0.210 27 E C 0.167 176.770 176.600 0.005 0.000 0.997 27 E CA -0.097 56.304 56.400 0.001 0.000 0.999 27 E CB 0.390 30.092 29.700 0.003 0.000 1.040 27 E HN 0.302 nan 8.360 nan 0.000 0.469 28 R N 1.595 122.097 120.500 0.002 0.000 2.582 28 R HA 0.031 4.369 4.340 -0.004 0.000 0.271 28 R C -0.126 176.173 176.300 -0.001 0.000 1.078 28 R CA 0.062 56.165 56.100 0.005 0.000 1.127 28 R CB 0.359 30.659 30.300 0.000 0.000 1.038 28 R HN -0.152 nan 8.270 nan 0.000 0.500 29 D N 1.729 122.129 120.400 -0.001 0.000 2.705 29 D HA -0.164 4.474 4.640 -0.004 0.000 0.240 29 D C -1.476 174.818 176.300 -0.009 0.000 1.137 29 D CA 1.204 55.196 54.000 -0.013 0.000 0.677 29 D CB -0.573 40.212 40.800 -0.025 0.000 1.049 29 D HN 0.491 nan 8.370 nan 0.000 0.427 30 K N 0.702 121.101 120.400 -0.001 0.000 2.559 30 K HA 0.447 4.765 4.320 -0.004 0.000 0.249 30 K C -0.770 175.832 176.600 0.003 0.000 0.958 30 K CA -0.601 55.686 56.287 0.001 0.000 0.901 30 K CB 1.647 34.149 32.500 0.003 0.000 1.124 30 K HN -0.012 nan 8.250 nan 0.000 0.437 31 T N 4.050 118.604 114.554 0.001 0.000 2.772 31 T HA 0.280 4.628 4.350 -0.004 0.000 0.288 31 T C -2.457 172.246 174.700 0.006 0.000 0.994 31 T CA -1.818 60.284 62.100 0.003 0.000 0.951 31 T CB 0.990 69.857 68.868 -0.001 0.000 0.933 31 T HN 0.254 nan 8.240 nan 0.000 0.447 32 P HA -0.024 nan 4.420 nan 0.000 0.257 32 P C 1.113 178.419 177.300 0.010 0.000 1.153 32 P CA 0.010 63.114 63.100 0.005 0.000 0.762 32 P CB 0.402 32.105 31.700 0.005 0.000 0.743 33 L N 3.928 125.155 121.223 0.007 0.000 2.137 33 L HA -0.322 4.016 4.340 -0.004 0.000 0.213 33 L C 2.041 178.932 176.870 0.035 0.000 1.085 33 L CA 2.213 57.063 54.840 0.016 0.000 0.760 33 L CB -0.509 41.546 42.059 -0.007 0.000 0.893 33 L HN 0.449 nan 8.230 nan 0.000 0.434 34 A N 0.337 123.165 122.820 0.013 0.000 1.865 34 A HA -0.252 4.065 4.320 -0.004 0.000 0.217 34 A C 2.141 179.748 177.584 0.038 0.000 1.191 34 A CA 2.176 54.226 52.037 0.022 0.000 0.623 34 A CB -0.838 18.164 19.000 0.003 0.000 0.826 34 A HN 0.514 nan 8.150 nan 0.000 0.444 35 I N -0.192 120.388 120.570 0.017 0.000 2.091 35 I HA -0.318 3.850 4.170 -0.004 0.000 0.239 35 I C 2.534 178.655 176.117 0.007 0.000 1.061 35 I CA 1.674 62.975 61.300 0.002 0.000 1.317 35 I CB -0.778 37.221 38.000 -0.001 0.000 1.031 35 I HN 0.345 nan 8.210 nan 0.000 0.401 36 L N -0.012 121.228 121.223 0.029 0.000 1.978 36 L HA -0.296 4.042 4.340 -0.004 0.000 0.218 36 L C 2.693 179.586 176.870 0.039 0.000 1.075 36 L CA 1.770 56.631 54.840 0.035 0.000 0.767 36 L CB -0.952 41.139 42.059 0.054 0.000 0.890 36 L HN 0.171 nan 8.230 nan 0.000 0.434 37 F N -0.075 119.832 119.950 -0.072 0.000 2.161 37 F HA -0.255 4.270 4.527 -0.003 0.000 0.300 37 F C 2.500 178.215 175.800 -0.142 0.000 1.089 37 F CA 1.429 59.373 58.000 -0.094 0.000 1.282 37 F CB -0.039 38.901 39.000 -0.099 0.000 1.010 37 F HN 0.004 nan 8.300 nan 0.000 0.485 38 M N 0.031 119.573 119.600 -0.097 0.000 2.254 38 M HA -0.019 4.458 4.480 -0.004 0.000 0.265 38 M C 2.509 178.671 176.300 -0.230 0.000 1.066 38 M CA 1.324 56.478 55.300 -0.244 0.000 1.123 38 M CB -1.937 30.551 32.600 -0.188 0.000 1.388 38 M HN 0.278 nan 8.290 nan 0.000 0.425 39 A N 0.282 123.012 122.820 -0.150 0.000 1.902 39 A HA -0.012 4.306 4.320 -0.004 0.000 0.217 39 A C 2.451 179.941 177.584 -0.156 0.000 1.181 39 A CA 2.078 54.044 52.037 -0.118 0.000 0.623 39 A CB -0.950 18.014 19.000 -0.060 0.000 0.818 39 A HN 0.445 nan 8.150 nan 0.000 0.443 40 A N -0.486 122.208 122.820 -0.210 0.000 1.873 40 A HA -0.123 4.195 4.320 -0.004 0.000 0.218 40 A C 2.409 179.826 177.584 -0.279 0.000 1.193 40 A CA 2.209 54.099 52.037 -0.245 0.000 0.629 40 A CB -1.284 17.520 19.000 -0.327 0.000 0.826 40 A HN 1.057 nan 8.150 nan 0.000 0.447 41 V N -0.471 119.206 119.914 -0.394 0.000 2.358 41 V HA -0.178 3.940 4.120 -0.004 0.000 0.246 41 V C 2.309 178.290 176.094 -0.188 0.000 1.047 41 V CA 2.386 64.501 62.300 -0.309 0.000 1.035 41 V CB -0.554 31.044 31.823 -0.376 0.000 0.658 41 V HN 0.313 nan 8.190 nan 0.000 0.452 42 V N 1.339 121.145 119.914 -0.180 0.000 2.220 42 V HA -0.270 3.848 4.120 -0.004 0.000 0.250 42 V C 2.797 178.829 176.094 -0.103 0.000 1.056 42 V CA 2.664 64.887 62.300 -0.128 0.000 1.016 42 V CB -1.676 30.077 31.823 -0.117 0.000 0.639 42 V HN 0.667 nan 8.190 nan 0.000 0.446 43 G N -0.682 108.059 108.800 -0.099 0.000 2.491 43 G HA2 -0.312 3.646 3.960 -0.004 0.000 0.218 43 G HA3 -0.312 3.646 3.960 -0.004 0.000 0.218 43 G C 1.652 176.515 174.900 -0.063 0.000 1.180 43 G CA 1.794 46.849 45.100 -0.075 0.000 0.774 43 G HN 0.520 nan 8.290 nan 0.000 0.562 44 T N 1.428 115.938 114.554 -0.073 0.000 2.699 44 T HA -0.103 4.245 4.350 -0.004 0.000 0.268 44 T C 2.411 177.089 174.700 -0.038 0.000 1.036 44 T CA 1.246 63.317 62.100 -0.049 0.000 1.147 44 T CB -0.260 68.568 68.868 -0.067 0.000 0.862 44 T HN 0.181 nan 8.240 nan 0.000 0.446 45 L N 0.653 121.842 121.223 -0.056 0.000 2.027 45 L HA -0.067 4.270 4.340 -0.004 0.000 0.206 45 L C 2.779 179.621 176.870 -0.048 0.000 1.074 45 L CA 0.883 55.692 54.840 -0.052 0.000 0.745 45 L CB -0.757 41.264 42.059 -0.063 0.000 0.898 45 L HN 0.138 nan 8.230 nan 0.000 0.433 46 V N 0.274 120.155 119.914 -0.056 0.000 2.392 46 V HA -0.237 3.880 4.120 -0.004 0.000 0.249 46 V C 2.604 178.676 176.094 -0.036 0.000 1.059 46 V CA 1.975 64.241 62.300 -0.056 0.000 1.051 46 V CB -1.521 30.259 31.823 -0.070 0.000 0.658 46 V HN 0.586 nan 8.190 nan 0.000 0.455 47 G N 0.082 108.870 108.800 -0.020 0.000 2.480 47 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.216 47 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.216 47 G C 1.565 176.473 174.900 0.013 0.000 1.200 47 G CA 1.086 46.197 45.100 0.019 0.000 0.782 47 G HN 0.446 nan 8.290 nan 0.000 0.554 48 L N 0.796 122.011 121.223 -0.014 0.000 2.043 48 L HA -0.162 4.176 4.340 -0.004 0.000 0.212 48 L C 3.469 180.304 176.870 -0.059 0.000 1.075 48 L CA 1.217 56.012 54.840 -0.075 0.000 0.752 48 L CB -0.590 41.434 42.059 -0.059 0.000 0.891 48 L HN 0.341 nan 8.230 nan 0.000 0.432 49 A N 0.116 122.928 122.820 -0.014 0.000 1.865 49 A HA -0.215 4.103 4.320 -0.004 0.000 0.217 49 A C 2.527 180.179 177.584 0.113 0.000 1.191 49 A CA 2.025 54.093 52.037 0.051 0.000 0.623 49 A CB -0.793 18.218 19.000 0.018 0.000 0.826 49 A HN 0.424 nan 8.150 nan 0.000 0.444 50 A N -0.820 122.027 122.820 0.046 0.000 1.930 50 A HA 0.066 4.384 4.320 -0.004 0.000 0.217 50 A C 2.237 179.896 177.584 0.125 0.000 1.175 50 A CA 1.632 53.710 52.037 0.068 0.000 0.627 50 A CB -0.887 18.115 19.000 0.004 0.000 0.815 50 A HN 0.365 nan 8.150 nan 0.000 0.443 51 V N -0.048 119.897 119.914 0.051 0.000 2.233 51 V HA -0.299 3.819 4.120 -0.004 0.000 0.247 51 V C 3.098 179.157 176.094 -0.059 0.000 1.050 51 V CA 2.159 64.438 62.300 -0.036 0.000 1.010 51 V CB -1.285 30.377 31.823 -0.269 0.000 0.637 51 V HN 0.621 nan 8.190 nan 0.000 0.444 52 A N -0.624 122.164 122.820 -0.054 0.000 1.883 52 A HA -0.280 4.038 4.320 -0.004 0.000 0.217 52 A C 2.137 179.746 177.584 0.041 0.000 1.186 52 A CA 2.271 54.307 52.037 -0.002 0.000 0.624 52 A CB -0.819 18.231 19.000 0.083 0.000 0.822 52 A HN 0.561 nan 8.150 nan 0.000 0.444 53 F N 1.089 120.989 119.950 -0.084 0.000 2.126 53 F HA -0.203 4.322 4.527 -0.004 0.000 0.299 53 F C 1.919 177.598 175.800 -0.202 0.000 1.096 53 F CA 2.188 59.991 58.000 -0.329 0.000 1.255 53 F CB -0.224 38.567 39.000 -0.349 0.000 0.997 53 F HN 0.341 nan 8.300 nan 0.000 0.479 54 D N 0.291 120.688 120.400 -0.004 0.000 2.097 54 D HA -0.173 4.465 4.640 -0.004 0.000 0.195 54 D C 2.035 178.283 176.300 -0.086 0.000 0.989 54 D CA 1.317 55.298 54.000 -0.032 0.000 0.827 54 D CB -0.104 40.770 40.800 0.123 0.000 0.966 54 D HN 0.149 nan 8.370 nan 0.000 0.456 55 K N 0.160 120.523 120.400 -0.062 0.000 2.057 55 K HA -0.050 4.267 4.320 -0.004 0.000 0.207 55 K C 2.216 178.792 176.600 -0.039 0.000 1.049 55 K CA 1.131 57.397 56.287 -0.036 0.000 0.931 55 K CB -0.922 31.548 32.500 -0.050 0.000 0.714 55 K HN 0.269 nan 8.250 nan 0.000 0.440 56 G N 1.391 110.109 108.800 -0.136 0.000 2.459 56 G HA2 -0.233 3.725 3.960 -0.004 0.000 0.217 56 G HA3 -0.233 3.725 3.960 -0.004 0.000 0.217 56 G C 1.737 176.569 174.900 -0.113 0.000 1.183 56 G CA 1.048 46.064 45.100 -0.141 0.000 0.776 56 G HN 0.130 nan 8.290 nan 0.000 0.552 57 V N 1.612 121.334 119.914 -0.320 0.000 2.343 57 V HA -0.145 3.973 4.120 -0.004 0.000 0.247 57 V C 3.322 179.365 176.094 -0.084 0.000 1.051 57 V CA 2.060 64.198 62.300 -0.270 0.000 1.036 57 V CB -0.897 30.678 31.823 -0.413 0.000 0.654 57 V HN 0.513 nan 8.190 nan 0.000 0.451 58 A N -0.803 121.997 122.820 -0.034 0.000 1.858 58 A HA -0.294 4.024 4.320 -0.004 0.000 0.216 58 A C 1.960 179.592 177.584 0.079 0.000 1.190 58 A CA 2.025 54.081 52.037 0.032 0.000 0.617 58 A CB -1.060 17.971 19.000 0.051 0.000 0.827 58 A HN 0.699 nan 8.150 nan 0.000 0.443 59 W N 0.587 121.848 121.300 -0.065 0.000 2.305 59 W HA -0.223 4.435 4.660 -0.003 0.000 0.308 59 W C 1.842 178.336 176.519 -0.042 0.000 1.226 59 W CA 2.192 59.510 57.345 -0.045 0.000 1.253 59 W CB -0.353 29.079 29.460 -0.047 0.000 1.146 59 W HN 0.275 nan 8.180 nan 0.000 0.507 60 L N -0.260 120.982 121.223 0.032 0.000 2.072 60 L HA -0.215 4.123 4.340 -0.004 0.000 0.205 60 L C 2.611 179.384 176.870 -0.161 0.000 1.079 60 L CA 1.507 56.267 54.840 -0.133 0.000 0.752 60 L CB -0.902 41.159 42.059 0.003 0.000 0.906 60 L HN 0.026 nan 8.230 nan 0.000 0.436 61 Q N -0.490 119.257 119.800 -0.089 0.000 2.291 61 Q HA -0.190 4.148 4.340 -0.004 0.000 0.205 61 Q C 1.955 177.903 176.000 -0.087 0.000 0.970 61 Q CA 1.173 56.937 55.803 -0.065 0.000 0.876 61 Q CB -0.085 28.638 28.738 -0.025 0.000 0.935 61 Q HN 0.504 nan 8.270 nan 0.000 0.455 62 N N -0.250 118.369 118.700 -0.135 0.000 2.207 62 N HA -0.159 4.579 4.740 -0.004 0.000 0.182 62 N C 1.473 176.841 175.510 -0.235 0.000 1.020 62 N CA 0.648 53.605 53.050 -0.155 0.000 0.858 62 N CB 0.282 38.684 38.487 -0.141 0.000 0.991 62 N HN 0.146 nan 8.380 nan 0.000 0.427 63 Q N 1.370 120.925 119.800 -0.407 0.000 2.030 63 Q HA -0.107 4.231 4.340 -0.004 0.000 0.204 63 Q C 2.149 178.020 176.000 -0.216 0.000 0.986 63 Q CA 1.372 56.924 55.803 -0.417 0.000 0.843 63 Q CB -0.647 27.717 28.738 -0.623 0.000 0.904 63 Q HN 0.471 nan 8.270 nan 0.000 0.420 64 R N -0.405 119.994 120.500 -0.168 0.000 2.105 64 R HA -0.104 4.234 4.340 -0.004 0.000 0.239 64 R C 2.184 178.458 176.300 -0.043 0.000 1.135 64 R CA 1.325 57.374 56.100 -0.083 0.000 0.967 64 R CB -0.294 29.972 30.300 -0.056 0.000 0.861 64 R HN 0.163 nan 8.270 nan 0.000 0.442 65 M N -0.064 119.508 119.600 -0.047 0.000 2.296 65 M HA -0.005 4.473 4.480 -0.004 0.000 0.265 65 M C 1.955 178.250 176.300 -0.009 0.000 1.064 65 M CA 1.283 56.578 55.300 -0.009 0.000 1.109 65 M CB -0.433 32.158 32.600 -0.016 0.000 1.396 65 M HN 0.203 nan 8.290 nan 0.000 0.430 66 G N -1.446 107.327 108.800 -0.045 0.000 2.430 66 G HA2 0.065 4.022 3.960 -0.004 0.000 0.216 66 G HA3 0.065 4.022 3.960 -0.004 0.000 0.216 66 G C 1.502 176.410 174.900 0.012 0.000 1.146 66 G CA 0.693 45.776 45.100 -0.028 0.000 0.793 66 G HN 0.572 nan 8.290 nan 0.000 0.537 67 A N 0.793 123.614 122.820 0.003 0.000 1.898 67 A HA 0.220 4.538 4.320 -0.004 0.000 0.214 67 A C 2.285 179.876 177.584 0.012 0.000 1.183 67 A CA 0.686 52.743 52.037 0.035 0.000 0.622 67 A CB -0.340 18.663 19.000 0.005 0.000 0.824 67 A HN 0.306 nan 8.150 nan 0.000 0.444 68 L N -0.294 120.931 121.223 0.003 0.000 2.349 68 L HA -0.134 4.204 4.340 -0.004 0.000 0.220 68 L C 2.130 179.020 176.870 0.033 0.000 1.130 68 L CA 0.580 55.422 54.840 0.003 0.000 0.791 68 L CB -0.433 41.675 42.059 0.082 0.000 0.918 68 L HN 0.241 nan 8.230 nan 0.000 0.444 69 V N -1.215 118.730 119.914 0.050 0.000 2.725 69 V HA -0.185 3.933 4.120 -0.004 0.000 0.247 69 V C 2.349 178.496 176.094 0.089 0.000 1.058 69 V CA 1.232 63.568 62.300 0.061 0.000 1.080 69 V CB -0.447 31.406 31.823 0.051 0.000 0.713 69 V HN 0.477 nan 8.190 nan 0.000 0.465 70 H N 1.602 120.667 119.070 -0.008 0.000 2.491 70 H HA -0.091 4.462 4.556 -0.004 0.000 0.290 70 H C 1.777 177.098 175.328 -0.011 0.000 1.050 70 H CA 1.829 57.871 56.048 -0.010 0.000 1.309 70 H CB -0.092 29.661 29.762 -0.014 0.000 1.392 70 H HN 0.532 nan 8.280 nan 0.000 0.554 71 T N -3.370 111.078 114.554 -0.176 0.000 3.293 71 T HA 0.550 4.897 4.350 -0.004 0.000 0.276 71 T C 1.490 176.125 174.700 -0.109 0.000 1.003 71 T CA -0.008 61.958 62.100 -0.223 0.000 0.916 71 T CB -0.229 68.477 68.868 -0.271 0.000 1.134 71 T HN 0.329 nan 8.240 nan 0.000 0.530 72 A N 1.514 124.311 122.820 -0.038 0.000 2.172 72 A HA 0.109 4.427 4.320 -0.004 0.000 0.216 72 A C 1.488 179.074 177.584 0.003 0.000 1.154 72 A CA 1.072 53.108 52.037 -0.002 0.000 0.701 72 A CB -0.417 18.604 19.000 0.036 0.000 0.789 72 A HN 0.795 nan 8.150 nan 0.000 0.465 73 D N -0.255 120.143 120.400 -0.003 0.000 2.130 73 D HA -0.094 4.544 4.640 -0.004 0.000 0.292 73 D C 0.651 176.963 176.300 0.020 0.000 1.146 73 D CA -0.096 53.916 54.000 0.019 0.000 0.883 73 D CB -1.249 39.562 40.800 0.018 0.000 0.936 73 D HN 0.289 nan 8.370 nan 0.000 0.298 74 N N -0.177 118.534 118.700 0.018 0.000 2.822 74 N HA -0.290 4.448 4.740 -0.004 0.000 0.307 74 N C 0.295 175.827 175.510 0.036 0.000 1.153 74 N CA -0.047 53.017 53.050 0.025 0.000 0.852 74 N CB -0.394 38.085 38.487 -0.013 0.000 1.039 74 N HN 0.336 nan 8.380 nan 0.000 0.597 75 Y N 4.308 124.592 120.300 -0.027 0.000 2.081 75 Y HA -0.188 4.359 4.550 -0.005 0.000 0.280 75 Y C -0.815 175.039 175.900 -0.076 0.000 1.163 75 Y CA 1.726 59.805 58.100 -0.034 0.000 1.135 75 Y CB -0.507 37.955 38.460 0.003 0.000 0.970 75 Y HN 0.604 nan 8.280 nan 0.000 0.498 76 P HA -0.184 nan 4.420 nan 0.000 0.218 76 P C 1.573 178.865 177.300 -0.013 0.000 1.149 76 P CA 1.320 64.476 63.100 0.094 0.000 0.817 76 P CB -0.145 31.585 31.700 0.051 0.000 0.785 77 L N -0.347 120.854 121.223 -0.037 0.000 2.093 77 L HA -0.089 4.249 4.340 -0.004 0.000 0.208 77 L C 2.106 178.897 176.870 -0.133 0.000 1.085 77 L CA 1.526 56.319 54.840 -0.077 0.000 0.755 77 L CB -1.464 40.550 42.059 -0.076 0.000 0.904 77 L HN -0.106 nan 8.230 nan 0.000 0.435 78 L N -1.271 119.834 121.223 -0.196 0.000 2.027 78 L HA -0.171 4.167 4.340 -0.004 0.000 0.206 78 L C 2.345 178.984 176.870 -0.385 0.000 1.074 78 L CA 1.601 56.248 54.840 -0.321 0.000 0.745 78 L CB -0.435 41.362 42.059 -0.437 0.000 0.898 78 L HN 0.280 nan 8.230 nan 0.000 0.433 79 L N -0.023 120.981 121.223 -0.366 0.000 2.129 79 L HA -0.211 4.126 4.340 -0.004 0.000 0.212 79 L C 2.484 179.305 176.870 -0.082 0.000 1.087 79 L CA 1.760 56.457 54.840 -0.238 0.000 0.757 79 L CB -1.086 40.933 42.059 -0.066 0.000 0.896 79 L HN 0.439 nan 8.230 nan 0.000 0.434 80 T N -0.146 114.360 114.554 -0.079 0.000 2.639 80 T HA -0.165 4.183 4.350 -0.004 0.000 0.261 80 T C 1.933 176.646 174.700 0.022 0.000 1.053 80 T CA 1.755 63.835 62.100 -0.034 0.000 1.158 80 T CB -0.464 68.370 68.868 -0.056 0.000 0.863 80 T HN 0.357 nan 8.240 nan 0.000 0.413 81 V N 1.193 121.084 119.914 -0.038 0.000 2.490 81 V HA -0.018 4.100 4.120 -0.004 0.000 0.250 81 V C 2.644 178.736 176.094 -0.004 0.000 1.061 81 V CA 1.486 63.773 62.300 -0.022 0.000 1.064 81 V CB -1.627 30.157 31.823 -0.065 0.000 0.670 81 V HN 0.449 nan 8.190 nan 0.000 0.461 82 A N 0.370 123.163 122.820 -0.046 0.000 1.873 82 A HA -0.204 4.114 4.320 -0.004 0.000 0.218 82 A C 2.117 179.731 177.584 0.051 0.000 1.193 82 A CA 2.276 54.300 52.037 -0.021 0.000 0.629 82 A CB -1.049 17.893 19.000 -0.097 0.000 0.826 82 A HN 0.687 nan 8.150 nan 0.000 0.447 83 F N 0.476 120.402 119.950 -0.040 0.000 2.069 83 F HA -0.150 4.374 4.527 -0.005 0.000 0.298 83 F C 2.047 177.850 175.800 0.005 0.000 1.113 83 F CA 1.919 59.916 58.000 -0.006 0.000 1.214 83 F CB -0.333 38.662 39.000 -0.008 0.000 0.978 83 F HN 0.136 nan 8.300 nan 0.000 0.474 84 L N -0.984 120.445 121.223 0.343 0.000 2.131 84 L HA -0.281 4.057 4.340 -0.004 0.000 0.210 84 L C 2.560 179.488 176.870 0.097 0.000 1.092 84 L CA 1.157 56.145 54.840 0.246 0.000 0.759 84 L CB -0.979 41.176 42.059 0.161 0.000 0.903 84 L HN 0.322 nan 8.230 nan 0.000 0.435 85 C N -1.176 118.152 119.300 0.048 0.000 2.453 85 C HA -0.109 4.348 4.460 -0.004 0.000 0.277 85 C C 3.130 178.119 174.990 -0.000 0.000 1.262 85 C CA 0.859 59.886 59.018 0.015 0.000 1.718 85 C CB -0.535 27.202 27.740 -0.006 0.000 2.031 85 C HN 0.472 nan 8.230 nan 0.000 0.480 86 S N 0.949 116.626 115.700 -0.037 0.000 2.353 86 S HA -0.137 4.331 4.470 -0.004 0.000 0.222 86 S C 2.203 176.756 174.600 -0.079 0.000 1.035 86 S CA 1.449 59.607 58.200 -0.069 0.000 1.025 86 S CB -0.671 62.451 63.200 -0.130 0.000 0.902 86 S HN 0.685 nan 8.310 nan 0.000 0.440 87 A N 1.492 124.216 122.820 -0.160 0.000 1.863 87 A HA -0.182 4.136 4.320 -0.004 0.000 0.218 87 A C 2.346 179.962 177.584 0.053 0.000 1.233 87 A CA 2.266 54.259 52.037 -0.073 0.000 0.655 87 A CB -1.422 17.601 19.000 0.038 0.000 0.839 87 A HN 0.329 nan 8.150 nan 0.000 0.454 88 V N -0.353 119.606 119.914 0.076 0.000 2.278 88 V HA -0.314 3.804 4.120 -0.004 0.000 0.251 88 V C 2.627 178.815 176.094 0.156 0.000 1.062 88 V CA 2.350 64.716 62.300 0.109 0.000 1.038 88 V CB -0.727 31.146 31.823 0.084 0.000 0.646 88 V HN 0.549 nan 8.190 nan 0.000 0.447 89 L N -0.643 120.652 121.223 0.120 0.000 2.072 89 L HA -0.082 4.256 4.340 -0.004 0.000 0.205 89 L C 2.646 179.659 176.870 0.239 0.000 1.079 89 L CA 1.459 56.391 54.840 0.154 0.000 0.752 89 L CB -0.677 41.426 42.059 0.072 0.000 0.906 89 L HN 0.334 nan 8.230 nan 0.000 0.436 90 A N -0.115 122.825 122.820 0.200 0.000 1.883 90 A HA -0.268 4.050 4.320 -0.004 0.000 0.217 90 A C 2.288 180.128 177.584 0.427 0.000 1.186 90 A CA 1.980 54.192 52.037 0.292 0.000 0.624 90 A CB -0.538 18.619 19.000 0.262 0.000 0.822 90 A HN 0.337 nan 8.150 nan 0.000 0.444 91 M N -1.994 117.790 119.600 0.306 0.000 2.115 91 M HA -0.178 4.300 4.480 -0.004 0.000 0.258 91 M C 2.186 178.692 176.300 0.342 0.000 1.071 91 M CA 2.302 57.767 55.300 0.276 0.000 1.100 91 M CB -0.769 31.932 32.600 0.167 0.000 1.292 91 M HN 0.480 nan 8.290 nan 0.000 0.415 92 F N 1.131 121.206 119.950 0.208 0.000 2.184 92 F HA -0.199 4.326 4.527 -0.004 0.000 0.301 92 F C 2.033 177.990 175.800 0.261 0.000 1.076 92 F CA 1.828 59.978 58.000 0.249 0.000 1.295 92 F CB -0.613 38.499 39.000 0.186 0.000 1.026 92 F HN 0.088 nan 8.300 nan 0.000 0.494 93 G N -1.591 107.427 108.800 0.364 0.000 2.417 93 G HA2 -0.232 3.725 3.960 -0.004 0.000 0.212 93 G HA3 -0.232 3.725 3.960 -0.004 0.000 0.212 93 G C 1.406 176.319 174.900 0.022 0.000 1.187 93 G CA 0.613 45.826 45.100 0.189 0.000 0.804 93 G HN 0.440 nan 8.290 nan 0.000 0.534 94 Y N -0.032 120.287 120.300 0.032 0.000 2.151 94 Y HA -0.134 4.414 4.550 -0.004 0.000 0.284 94 Y C 2.338 178.187 175.900 -0.085 0.000 1.166 94 Y CA 1.565 59.618 58.100 -0.079 0.000 1.163 94 Y CB -0.393 38.045 38.460 -0.038 0.000 0.974 94 Y HN 0.253 nan 8.280 nan 0.000 0.511 95 F N -0.110 119.844 119.950 0.007 0.000 1.988 95 F HA -0.320 4.204 4.527 -0.004 0.000 0.296 95 F C 2.194 177.951 175.800 -0.071 0.000 1.178 95 F CA 1.155 59.116 58.000 -0.065 0.000 1.174 95 F CB -0.591 38.349 39.000 -0.101 0.000 0.963 95 F HN -0.147 nan 8.300 nan 0.000 0.489 96 L N 0.505 121.437 121.223 -0.485 0.000 2.186 96 L HA -0.323 4.015 4.340 -0.004 0.000 0.221 96 L C 2.343 179.091 176.870 -0.203 0.000 1.087 96 L CA 1.688 56.262 54.840 -0.444 0.000 0.794 96 L CB -1.522 40.303 42.059 -0.390 0.000 0.893 96 L HN 0.272 nan 8.230 nan 0.000 0.442 97 V N -0.828 118.971 119.914 -0.191 0.000 2.255 97 V HA -0.199 3.919 4.120 -0.004 0.000 0.243 97 V C 2.668 178.630 176.094 -0.219 0.000 1.038 97 V CA 1.309 63.495 62.300 -0.190 0.000 1.008 97 V CB -0.401 31.277 31.823 -0.242 0.000 0.645 97 V HN 0.375 nan 8.190 nan 0.000 0.449 98 R N 0.402 120.742 120.500 -0.267 0.000 2.091 98 R HA -0.169 4.169 4.340 -0.004 0.000 0.238 98 R C 2.224 178.392 176.300 -0.219 0.000 1.136 98 R CA 1.598 57.543 56.100 -0.258 0.000 0.959 98 R CB -0.627 29.541 30.300 -0.221 0.000 0.856 98 R HN 0.351 nan 8.270 nan 0.000 0.437 99 K N -0.540 119.670 120.400 -0.318 0.000 2.305 99 K HA -0.037 4.280 4.320 -0.004 0.000 0.199 99 K C 0.803 176.958 176.600 -0.742 0.000 1.047 99 K CA 1.124 57.073 56.287 -0.564 0.000 0.976 99 K CB 0.205 32.163 32.500 -0.903 0.000 0.765 99 K HN 0.184 nan 8.250 nan 0.000 0.474 100 Y N -2.015 118.116 120.300 -0.283 0.000 2.476 100 Y HA 0.507 5.055 4.550 -0.004 0.000 0.261 100 Y C -0.260 175.546 175.900 -0.157 0.000 1.077 100 Y CA -0.280 57.700 58.100 -0.200 0.000 1.240 100 Y CB 1.214 39.543 38.460 -0.218 0.000 1.317 100 Y HN 0.004 nan 8.280 nan 0.000 0.540 101 A N 0.036 122.833 122.820 -0.039 0.000 2.770 101 A HA 0.450 4.768 4.320 -0.004 0.000 0.295 101 A C -2.558 174.964 177.584 -0.105 0.000 1.256 101 A CA -0.762 51.229 52.037 -0.077 0.000 0.870 101 A CB 0.257 19.204 19.000 -0.088 0.000 1.451 101 A HN -0.051 nan 8.150 nan 0.000 0.505 102 P HA -0.211 nan 4.420 nan 0.000 0.218 102 P C 1.306 178.553 177.300 -0.088 0.000 1.148 102 P CA 1.875 64.908 63.100 -0.111 0.000 0.822 102 P CB 0.200 31.860 31.700 -0.067 0.000 0.784 103 E N 0.090 120.247 120.200 -0.073 0.000 2.209 103 E HA -0.119 4.229 4.350 -0.004 0.000 0.196 103 E C 1.459 178.018 176.600 -0.069 0.000 0.993 103 E CA 1.169 57.532 56.400 -0.061 0.000 0.819 103 E CB -0.872 28.788 29.700 -0.066 0.000 0.745 103 E HN 0.141 nan 8.360 nan 0.000 0.477 104 A N 1.521 124.288 122.820 -0.088 0.000 2.411 104 A HA 0.367 4.685 4.320 -0.004 0.000 0.251 104 A C 0.801 178.325 177.584 -0.100 0.000 1.317 104 A CA 0.106 52.092 52.037 -0.085 0.000 0.904 104 A CB -0.221 18.730 19.000 -0.081 0.000 0.993 104 A HN 0.255 nan 8.150 nan 0.000 0.504 105 G N -2.167 106.563 108.800 -0.116 0.000 2.511 105 G HA2 0.580 4.538 3.960 -0.004 0.000 0.316 105 G HA3 0.580 4.538 3.960 -0.004 0.000 0.316 105 G C 0.717 175.553 174.900 -0.106 0.000 1.210 105 G CA 0.089 45.100 45.100 -0.149 0.000 0.969 105 G HN 1.377 nan 8.290 nan 0.000 0.492 106 G N -0.364 108.354 108.800 -0.136 0.000 2.566 106 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.280 106 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.280 106 G C 1.547 176.463 174.900 0.026 0.000 1.225 106 G CA 1.193 46.175 45.100 -0.197 0.000 0.966 106 G HN 1.750 nan 8.290 nan 0.000 0.560 107 S N -0.447 115.373 115.700 0.201 0.000 2.343 107 S HA 0.306 4.774 4.470 -0.004 0.000 0.212 107 S C 2.386 177.071 174.600 0.140 0.000 1.033 107 S CA 3.189 61.621 58.200 0.387 0.000 1.004 107 S CB -0.666 62.921 63.200 0.645 0.000 0.977 107 S HN 2.877 nan 8.310 nan 0.000 0.427 108 G N -0.036 108.819 108.800 0.092 0.000 2.211 108 G HA2 -0.161 3.796 3.960 -0.004 0.000 0.201 108 G HA3 -0.161 3.796 3.960 -0.004 0.000 0.201 108 G C 0.818 175.697 174.900 -0.035 0.000 0.997 108 G CA 0.307 45.411 45.100 0.006 0.000 0.652 108 G HN 0.526 nan 8.290 nan 0.000 0.500 109 I N 1.177 121.705 120.570 -0.070 0.000 2.353 109 I HA -0.023 4.144 4.170 -0.004 0.000 0.248 109 I C -0.012 175.990 176.117 -0.191 0.000 1.119 109 I CA 1.339 62.504 61.300 -0.225 0.000 1.417 109 I CB -0.788 36.861 38.000 -0.585 0.000 1.078 109 I HN 0.139 nan 8.210 nan 0.000 0.421 110 P HA -0.115 nan 4.420 nan 0.000 0.218 110 P C 1.380 178.683 177.300 0.006 0.000 1.152 110 P CA 1.079 64.188 63.100 0.016 0.000 0.826 110 P CB 0.093 31.880 31.700 0.144 0.000 0.790 111 E N -0.051 120.152 120.200 0.005 0.000 2.114 111 E HA -0.193 4.155 4.350 -0.004 0.000 0.199 111 E C 1.815 178.403 176.600 -0.020 0.000 1.008 111 E CA 1.380 57.776 56.400 -0.006 0.000 0.810 111 E CB -0.883 28.807 29.700 -0.016 0.000 0.739 111 E HN 0.064 nan 8.360 nan 0.000 0.456 112 I N 0.180 120.725 120.570 -0.042 0.000 2.406 112 I HA -0.087 4.081 4.170 -0.004 0.000 0.249 112 I C 2.267 178.351 176.117 -0.054 0.000 1.122 112 I CA 0.940 62.211 61.300 -0.048 0.000 1.431 112 I CB -1.224 36.738 38.000 -0.063 0.000 1.087 112 I HN 0.198 nan 8.210 nan 0.000 0.424 113 E N 1.114 121.270 120.200 -0.074 0.000 2.070 113 E HA -0.192 4.156 4.350 -0.004 0.000 0.197 113 E C 2.332 178.917 176.600 -0.025 0.000 1.004 113 E CA 1.629 57.986 56.400 -0.073 0.000 0.805 113 E CB -0.314 29.345 29.700 -0.068 0.000 0.744 113 E HN 0.506 nan 8.360 nan 0.000 0.451 114 G N 0.476 109.276 108.800 -0.000 0.000 2.433 114 G HA2 -0.306 3.652 3.960 -0.004 0.000 0.216 114 G HA3 -0.306 3.652 3.960 -0.004 0.000 0.216 114 G C 1.672 176.587 174.900 0.025 0.000 1.186 114 G CA 1.057 46.169 45.100 0.021 0.000 0.779 114 G HN 0.423 nan 8.290 nan 0.000 0.543 115 A N 0.481 123.313 122.820 0.020 0.000 1.958 115 A HA -0.079 4.239 4.320 -0.004 0.000 0.221 115 A C 2.443 180.065 177.584 0.064 0.000 1.178 115 A CA 1.675 53.733 52.037 0.036 0.000 0.642 115 A CB -0.459 18.555 19.000 0.022 0.000 0.816 115 A HN 0.391 nan 8.150 nan 0.000 0.453 116 L N -0.834 120.411 121.223 0.037 0.000 2.156 116 L HA -0.095 4.243 4.340 -0.004 0.000 0.208 116 L C 2.030 178.911 176.870 0.019 0.000 1.095 116 L CA 0.943 55.806 54.840 0.038 0.000 0.770 116 L CB -0.293 41.728 42.059 -0.062 0.000 0.914 116 L HN 0.339 nan 8.230 nan 0.000 0.439 117 E N -0.385 119.829 120.200 0.024 0.000 2.502 117 E HA -0.096 4.252 4.350 -0.004 0.000 0.194 117 E C -0.274 176.376 176.600 0.084 0.000 1.062 117 E CA 0.216 56.640 56.400 0.041 0.000 0.867 117 E CB -0.034 29.694 29.700 0.048 0.000 0.888 117 E HN 0.357 nan 8.360 nan 0.000 0.510 118 D N 0.901 121.365 120.400 0.107 0.000 2.772 118 D HA -0.172 4.465 4.640 -0.004 0.000 0.233 118 D C 0.402 176.741 176.300 0.065 0.000 1.143 118 D CA 0.531 54.588 54.000 0.095 0.000 0.700 118 D CB -0.656 40.208 40.800 0.107 0.000 1.076 118 D HN 0.303 nan 8.370 nan 0.000 0.430 119 Q N -0.803 119.030 119.800 0.054 0.000 2.189 119 Q HA 0.144 4.482 4.340 -0.004 0.000 0.223 119 Q C 0.497 176.520 176.000 0.037 0.000 0.828 119 Q CA 0.234 56.063 55.803 0.043 0.000 0.967 119 Q CB 1.314 30.076 28.738 0.040 0.000 1.139 119 Q HN 0.231 nan 8.270 nan 0.000 0.497 120 R N 0.898 121.421 120.500 0.038 0.000 2.668 120 R HA 0.507 4.845 4.340 -0.004 0.000 0.272 120 R C -2.722 173.597 176.300 0.032 0.000 1.019 120 R CA -1.768 54.349 56.100 0.029 0.000 0.894 120 R CB 1.097 31.408 30.300 0.019 0.000 1.228 120 R HN -0.087 nan 8.270 nan 0.000 0.460 121 P HA 0.277 nan 4.420 nan 0.000 0.288 121 P C -0.260 177.035 177.300 -0.009 0.000 1.267 121 P CA -0.520 62.599 63.100 0.032 0.000 0.815 121 P CB 1.030 32.754 31.700 0.041 0.000 0.989 122 V N 3.773 123.695 119.914 0.013 0.000 2.169 122 V HA 0.205 4.323 4.120 -0.004 0.000 0.271 122 V C 1.090 177.093 176.094 -0.151 0.000 1.372 122 V CA -0.399 61.894 62.300 -0.012 0.000 1.348 122 V CB -1.107 30.759 31.823 0.072 0.000 1.379 122 V HN 0.419 nan 8.190 nan 0.000 0.491 123 R N 3.438 123.675 120.500 -0.437 0.000 2.853 123 R HA 0.026 4.364 4.340 -0.004 0.000 0.238 123 R C 1.277 176.797 176.300 -1.300 0.000 1.538 123 R CA -0.106 55.213 56.100 -1.302 0.000 1.166 123 R CB 0.089 29.801 30.300 -0.980 0.000 1.201 123 R HN 0.890 nan 8.270 nan 0.000 0.606 124 W N 2.621 123.350 121.300 -0.953 0.000 2.408 124 W HA -0.195 4.463 4.660 -0.004 0.000 0.311 124 W C 1.115 177.428 176.519 -0.344 0.000 1.190 124 W CA 0.571 57.659 57.345 -0.429 0.000 1.321 124 W CB -1.342 28.040 29.460 -0.131 0.000 1.143 124 W HN 0.570 nan 8.180 nan 0.000 0.501 125 W N 2.162 123.005 121.300 -0.761 0.000 2.264 125 W HA -0.235 4.423 4.660 -0.003 0.000 0.293 125 W C 2.034 178.434 176.519 -0.199 0.000 1.225 125 W CA 2.111 59.115 57.345 -0.569 0.000 1.220 125 W CB -1.401 27.579 29.460 -0.801 0.000 1.134 125 W HN -0.133 nan 8.180 nan 0.000 0.544 126 R N 0.342 120.438 120.500 -0.674 0.000 2.051 126 R HA 0.033 4.371 4.340 -0.004 0.000 0.218 126 R C 2.361 178.548 176.300 -0.189 0.000 1.188 126 R CA 1.224 57.120 56.100 -0.340 0.000 0.992 126 R CB -0.918 29.113 30.300 -0.448 0.000 0.883 126 R HN 0.157 nan 8.270 nan 0.000 0.444 127 V N 2.516 122.288 119.914 -0.237 0.000 2.233 127 V HA -0.275 3.843 4.120 -0.004 0.000 0.247 127 V C 2.524 178.608 176.094 -0.017 0.000 1.050 127 V CA 1.805 64.036 62.300 -0.115 0.000 1.010 127 V CB -0.673 31.075 31.823 -0.126 0.000 0.637 127 V HN 0.279 nan 8.190 nan 0.000 0.444 128 L N 0.544 121.780 121.223 0.022 0.000 1.987 128 L HA -0.226 4.112 4.340 -0.004 0.000 0.230 128 L C 0.390 177.336 176.870 0.127 0.000 1.089 128 L CA 2.626 57.512 54.840 0.077 0.000 0.802 128 L CB -2.397 39.734 42.059 0.120 0.000 0.905 128 L HN 0.376 nan 8.230 nan 0.000 0.441 129 P HA -0.091 nan 4.420 nan 0.000 0.219 129 P C 1.894 179.414 177.300 0.366 0.000 1.150 129 P CA 1.278 64.567 63.100 0.315 0.000 0.814 129 P CB 0.074 31.869 31.700 0.159 0.000 0.787 130 V N 0.733 120.731 119.914 0.140 0.000 2.283 130 V HA -0.178 3.940 4.120 -0.004 0.000 0.243 130 V C 2.798 178.968 176.094 0.126 0.000 1.039 130 V CA 2.078 64.428 62.300 0.082 0.000 1.016 130 V CB -1.078 30.732 31.823 -0.021 0.000 0.650 130 V HN 0.057 nan 8.190 nan 0.000 0.449 131 K N -0.039 120.408 120.400 0.079 0.000 2.057 131 K HA -0.175 4.143 4.320 -0.004 0.000 0.207 131 K C 1.884 178.539 176.600 0.091 0.000 1.049 131 K CA 1.669 57.978 56.287 0.036 0.000 0.931 131 K CB -0.654 31.826 32.500 -0.033 0.000 0.714 131 K HN 0.329 nan 8.250 nan 0.000 0.440 132 F N 0.046 119.981 119.950 -0.025 0.000 2.000 132 F HA -0.212 4.313 4.527 -0.003 0.000 0.296 132 F C 1.683 177.519 175.800 0.060 0.000 1.159 132 F CA 1.999 59.971 58.000 -0.047 0.000 1.183 132 F CB -0.623 38.232 39.000 -0.242 0.000 0.959 132 F HN 0.029 nan 8.300 nan 0.000 0.490 133 F N 0.592 120.859 119.950 0.527 0.000 2.293 133 F HA 0.023 4.548 4.527 -0.004 0.000 0.300 133 F C 2.565 178.561 175.800 0.325 0.000 1.086 133 F CA 1.024 59.273 58.000 0.415 0.000 1.375 133 F CB -1.387 37.890 39.000 0.463 0.000 1.045 133 F HN 0.133 nan 8.300 nan 0.000 0.516 134 G N -0.008 109.014 108.800 0.370 0.000 2.404 134 G HA2 -0.125 3.833 3.960 -0.004 0.000 0.215 134 G HA3 -0.125 3.833 3.960 -0.004 0.000 0.215 134 G C 2.043 177.044 174.900 0.169 0.000 1.174 134 G CA 0.800 46.028 45.100 0.212 0.000 0.780 134 G HN 0.468 nan 8.290 nan 0.000 0.537 135 G N 0.786 109.689 108.800 0.172 0.000 2.404 135 G HA2 -0.116 3.842 3.960 -0.004 0.000 0.215 135 G HA3 -0.116 3.842 3.960 -0.004 0.000 0.215 135 G C 1.752 176.721 174.900 0.116 0.000 1.174 135 G CA 0.800 46.030 45.100 0.216 0.000 0.780 135 G HN 0.325 nan 8.290 nan 0.000 0.537 136 L N 1.425 122.648 121.223 0.000 0.000 2.171 136 L HA -0.129 4.209 4.340 -0.004 0.000 0.216 136 L C 2.834 179.679 176.870 -0.040 0.000 1.084 136 L CA 2.188 56.893 54.840 -0.225 0.000 0.771 136 L CB -0.528 41.417 42.059 -0.190 0.000 0.890 136 L HN 0.263 nan 8.230 nan 0.000 0.437 137 G N -2.586 106.279 108.800 0.108 0.000 2.404 137 G HA2 -0.201 3.757 3.960 -0.004 0.000 0.213 137 G HA3 -0.201 3.757 3.960 -0.004 0.000 0.213 137 G C 1.509 176.470 174.900 0.102 0.000 1.189 137 G CA 0.972 46.167 45.100 0.158 0.000 0.796 137 G HN 0.465 nan 8.290 nan 0.000 0.532 138 T N -0.275 114.329 114.554 0.083 0.000 2.857 138 T HA 0.091 4.439 4.350 -0.004 0.000 0.266 138 T C 2.262 176.989 174.700 0.045 0.000 1.048 138 T CA 0.553 62.687 62.100 0.058 0.000 1.139 138 T CB -0.137 68.730 68.868 -0.002 0.000 0.874 138 T HN -0.023 nan 8.240 nan 0.000 0.455 139 L N 1.727 122.966 121.223 0.027 0.000 2.068 139 L HA 0.248 4.586 4.340 -0.004 0.000 0.204 139 L C 2.998 179.848 176.870 -0.034 0.000 1.076 139 L CA 2.007 56.848 54.840 0.001 0.000 0.753 139 L CB -1.832 40.218 42.059 -0.016 0.000 0.910 139 L HN 0.502 nan 8.230 nan 0.000 0.439 140 G N -0.938 107.822 108.800 -0.067 0.000 2.535 140 G HA2 -0.136 3.822 3.960 -0.004 0.000 0.218 140 G HA3 -0.136 3.822 3.960 -0.004 0.000 0.218 140 G C 1.381 176.265 174.900 -0.025 0.000 1.122 140 G CA 0.721 45.785 45.100 -0.060 0.000 0.769 140 G HN 0.516 nan 8.290 nan 0.000 0.549 141 G N -0.943 107.856 108.800 -0.001 0.000 3.088 141 G HA2 0.396 4.354 3.960 -0.004 0.000 0.217 141 G HA3 0.396 4.354 3.960 -0.004 0.000 0.217 141 G C 1.091 175.994 174.900 0.006 0.000 1.159 141 G CA 0.367 45.469 45.100 0.004 0.000 0.760 141 G HN 1.274 nan 8.290 nan 0.000 0.550 142 G N 0.067 108.873 108.800 0.010 0.000 2.142 142 G HA2 -0.270 3.688 3.960 -0.004 0.000 0.225 142 G HA3 -0.270 3.688 3.960 -0.004 0.000 0.225 142 G C 0.388 175.307 174.900 0.030 0.000 1.015 142 G CA 0.178 45.290 45.100 0.020 0.000 0.716 142 G HN 0.392 nan 8.290 nan 0.000 0.508 143 M N -0.209 119.415 119.600 0.040 0.000 2.226 143 M HA 0.281 4.759 4.480 -0.004 0.000 0.324 143 M C 1.364 177.698 176.300 0.056 0.000 1.112 143 M CA -0.087 55.248 55.300 0.058 0.000 1.176 143 M CB 1.018 33.669 32.600 0.084 0.000 1.430 143 M HN -0.062 nan 8.290 nan 0.000 0.462 144 V N 4.455 124.408 119.914 0.065 0.000 2.159 144 V HA 0.105 4.223 4.120 -0.004 0.000 0.296 144 V C -0.135 176.001 176.094 0.071 0.000 1.762 144 V CA 0.374 62.706 62.300 0.052 0.000 1.708 144 V CB -1.916 29.939 31.823 0.053 0.000 1.484 144 V HN 0.511 nan 8.190 nan 0.000 0.512 145 L N 0.211 121.476 121.223 0.070 0.000 2.333 145 L HA 0.854 5.192 4.340 -0.004 0.000 0.263 145 L C 0.863 177.767 176.870 0.057 0.000 1.014 145 L CA -0.552 54.346 54.840 0.097 0.000 0.820 145 L CB 1.591 43.735 42.059 0.141 0.000 1.352 145 L HN 0.329 nan 8.230 nan 0.000 0.421 146 G N -0.002 108.838 108.800 0.066 0.000 2.510 146 G HA2 0.426 4.384 3.960 -0.004 0.000 0.280 146 G HA3 0.426 4.384 3.960 -0.004 0.000 0.280 146 G C 0.303 175.250 174.900 0.079 0.000 1.386 146 G CA -0.426 44.703 45.100 0.048 0.000 1.047 146 G HN 0.703 nan 8.290 nan 0.000 0.527 147 R N -0.927 119.604 120.500 0.052 0.000 2.335 147 R HA 0.159 4.496 4.340 -0.004 0.000 0.210 147 R C 2.067 178.266 176.300 -0.168 0.000 0.892 147 R CA 0.371 56.501 56.100 0.051 0.000 1.048 147 R CB 0.355 30.757 30.300 0.170 0.000 1.067 147 R HN 0.528 nan 8.270 nan 0.000 0.524 148 E N 0.871 120.924 120.200 -0.245 0.000 2.038 148 E HA -0.120 4.227 4.350 -0.004 0.000 0.195 148 E C 1.964 178.424 176.600 -0.234 0.000 1.000 148 E CA 1.471 57.641 56.400 -0.384 0.000 0.803 148 E CB -0.872 28.535 29.700 -0.489 0.000 0.750 148 E HN 0.317 nan 8.360 nan 0.000 0.448 149 G N 2.090 110.844 108.800 -0.078 0.000 2.863 149 G HA2 -0.290 3.668 3.960 -0.004 0.000 0.217 149 G HA3 -0.290 3.668 3.960 -0.004 0.000 0.217 149 G C -0.795 174.031 174.900 -0.124 0.000 1.315 149 G CA 1.584 46.676 45.100 -0.013 0.000 0.796 149 G HN 0.293 nan 8.290 nan 0.000 0.669 150 P HA -0.153 nan 4.420 nan 0.000 0.215 150 P C 2.379 179.432 177.300 -0.413 0.000 1.163 150 P CA 2.935 65.823 63.100 -0.354 0.000 0.894 150 P CB -0.458 30.873 31.700 -0.616 0.000 0.791 151 T N -3.804 110.484 114.554 -0.443 0.000 2.951 151 T HA -0.040 4.307 4.350 -0.004 0.000 0.268 151 T C 1.796 176.346 174.700 -0.249 0.000 1.073 151 T CA 0.832 62.712 62.100 -0.367 0.000 1.134 151 T CB -1.281 67.383 68.868 -0.340 0.000 0.884 151 T HN -0.146 nan 8.240 nan 0.000 0.479 152 V N 1.507 121.283 119.914 -0.230 0.000 2.270 152 V HA -0.150 3.968 4.120 -0.004 0.000 0.245 152 V C 2.941 178.965 176.094 -0.117 0.000 1.043 152 V CA 2.181 64.385 62.300 -0.160 0.000 1.014 152 V CB -0.789 30.952 31.823 -0.136 0.000 0.645 152 V HN 0.560 nan 8.190 nan 0.000 0.447 153 Q N -0.168 119.560 119.800 -0.119 0.000 1.967 153 Q HA -0.210 4.128 4.340 -0.004 0.000 0.202 153 Q C 2.291 178.233 176.000 -0.096 0.000 0.985 153 Q CA 2.360 58.106 55.803 -0.095 0.000 0.839 153 Q CB -0.268 28.418 28.738 -0.087 0.000 0.906 153 Q HN 0.587 nan 8.270 nan 0.000 0.423 154 I N 0.570 121.066 120.570 -0.125 0.000 2.181 154 I HA -0.328 3.840 4.170 -0.004 0.000 0.247 154 I C 2.258 178.321 176.117 -0.090 0.000 1.081 154 I CA 1.385 62.623 61.300 -0.102 0.000 1.340 154 I CB -0.764 37.151 38.000 -0.141 0.000 1.036 154 I HN 0.489 nan 8.210 nan 0.000 0.417 155 G N 0.246 108.981 108.800 -0.108 0.000 2.421 155 G HA2 -0.172 3.785 3.960 -0.004 0.000 0.216 155 G HA3 -0.172 3.785 3.960 -0.004 0.000 0.216 155 G C 1.683 176.536 174.900 -0.079 0.000 1.171 155 G CA 0.804 45.847 45.100 -0.095 0.000 0.775 155 G HN 0.501 nan 8.290 nan 0.000 0.543 156 G N 1.102 109.860 108.800 -0.070 0.000 2.446 156 G HA2 -0.251 3.707 3.960 -0.004 0.000 0.217 156 G HA3 -0.251 3.707 3.960 -0.004 0.000 0.217 156 G C 1.731 176.600 174.900 -0.053 0.000 1.168 156 G CA 1.245 46.312 45.100 -0.055 0.000 0.771 156 G HN 0.454 nan 8.290 nan 0.000 0.551 157 N N 0.693 119.367 118.700 -0.043 0.000 2.166 157 N HA -0.067 4.671 4.740 -0.004 0.000 0.186 157 N C 2.093 177.536 175.510 -0.111 0.000 1.019 157 N CA 0.780 53.818 53.050 -0.020 0.000 0.856 157 N CB -0.179 38.333 38.487 0.042 0.000 0.993 157 N HN 0.225 nan 8.380 nan 0.000 0.426 158 I N 0.276 120.781 120.570 -0.109 0.000 2.286 158 I HA -0.131 4.037 4.170 -0.004 0.000 0.248 158 I C 2.245 178.251 176.117 -0.184 0.000 1.115 158 I CA 1.281 62.488 61.300 -0.155 0.000 1.392 158 I CB -1.513 36.423 38.000 -0.108 0.000 1.065 158 I HN 0.182 nan 8.210 nan 0.000 0.418 159 G N 0.501 109.220 108.800 -0.135 0.000 2.408 159 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.217 159 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.217 159 G C 1.881 176.701 174.900 -0.132 0.000 1.150 159 G CA 0.531 45.561 45.100 -0.117 0.000 0.776 159 G HN 0.223 nan 8.290 nan 0.000 0.542 160 R N 0.248 120.659 120.500 -0.149 0.000 2.066 160 R HA 0.100 4.438 4.340 -0.004 0.000 0.232 160 R C 2.529 178.604 176.300 -0.374 0.000 1.131 160 R CA 1.699 57.711 56.100 -0.147 0.000 0.955 160 R CB -0.686 29.597 30.300 -0.029 0.000 0.851 160 R HN 0.383 nan 8.270 nan 0.000 0.432 161 M N 0.242 119.360 119.600 -0.802 0.000 2.082 161 M HA -0.165 4.313 4.480 -0.004 0.000 0.258 161 M C 1.758 177.694 176.300 -0.607 0.000 1.069 161 M CA 2.499 56.957 55.300 -1.402 0.000 1.102 161 M CB -0.163 31.539 32.600 -1.497 0.000 1.336 161 M HN 0.131 nan 8.290 nan 0.000 0.404 162 V N -0.834 118.903 119.914 -0.295 0.000 3.041 162 V HA -0.082 4.036 4.120 -0.004 0.000 0.260 162 V C 2.026 178.176 176.094 0.094 0.000 1.105 162 V CA 1.113 63.413 62.300 -0.001 0.000 1.125 162 V CB -0.928 30.905 31.823 0.017 0.000 0.730 162 V HN 0.624 nan 8.190 nan 0.000 0.479 163 L N 1.105 122.315 121.223 -0.022 0.000 2.095 163 L HA 0.095 4.433 4.340 -0.004 0.000 0.204 163 L C 2.015 178.927 176.870 0.071 0.000 1.080 163 L CA 2.184 57.041 54.840 0.029 0.000 0.759 163 L CB -0.678 41.378 42.059 -0.005 0.000 0.914 163 L HN 0.258 nan 8.230 nan 0.000 0.439 164 D N 0.285 120.709 120.400 0.040 0.000 2.083 164 D HA -0.168 4.470 4.640 -0.004 0.000 0.199 164 D C 2.283 178.631 176.300 0.080 0.000 0.980 164 D CA 2.069 56.135 54.000 0.111 0.000 0.851 164 D CB -0.493 40.461 40.800 0.258 0.000 0.997 164 D HN 0.359 nan 8.370 nan 0.000 0.449 165 I N -0.240 120.338 120.570 0.014 0.000 2.285 165 I HA -0.317 3.851 4.170 -0.004 0.000 0.253 165 I C 1.497 177.493 176.117 -0.202 0.000 1.104 165 I CA 1.256 62.502 61.300 -0.090 0.000 1.372 165 I CB -0.188 37.708 38.000 -0.173 0.000 1.057 165 I HN -0.035 nan 8.210 nan 0.000 0.431 166 F N -0.349 119.595 119.950 -0.011 0.000 2.678 166 F HA 0.267 4.792 4.527 -0.004 0.000 0.305 166 F C 1.068 176.875 175.800 0.011 0.000 1.090 166 F CA -0.186 57.817 58.000 0.005 0.000 1.272 166 F CB 0.235 39.240 39.000 0.008 0.000 1.060 166 F HN -0.145 nan 8.300 nan 0.000 0.576 167 R N 1.060 121.644 120.500 0.140 0.000 3.525 167 R HA -0.185 4.153 4.340 -0.004 0.000 0.276 167 R C -0.501 175.853 176.300 0.091 0.000 1.116 167 R CA 0.253 56.409 56.100 0.093 0.000 0.745 167 R CB -2.291 28.047 30.300 0.064 0.000 1.185 167 R HN 0.301 nan 8.270 nan 0.000 0.454 168 L N 0.935 122.218 121.223 0.100 0.000 2.416 168 L HA 0.196 4.534 4.340 -0.004 0.000 0.272 168 L C 0.933 177.825 176.870 0.036 0.000 1.161 168 L CA 0.570 55.449 54.840 0.065 0.000 0.845 168 L CB 0.682 42.771 42.059 0.050 0.000 1.119 168 L HN 0.027 nan 8.230 nan 0.000 0.464 169 K N 1.866 122.280 120.400 0.024 0.000 2.203 169 K HA 0.724 5.041 4.320 -0.004 0.000 0.251 169 K C -0.315 176.283 176.600 -0.003 0.000 0.944 169 K CA -0.135 56.159 56.287 0.012 0.000 0.829 169 K CB 1.944 34.453 32.500 0.016 0.000 1.125 169 K HN 0.778 nan 8.250 nan 0.000 0.430 170 G N 2.411 111.201 108.800 -0.016 0.000 2.428 170 G HA2 -0.135 3.823 3.960 -0.004 0.000 0.681 170 G HA3 -0.135 3.823 3.960 -0.004 0.000 0.681 170 G C -0.365 174.494 174.900 -0.070 0.000 1.340 170 G CA -0.625 44.459 45.100 -0.027 0.000 0.915 170 G HN 0.649 nan 8.290 nan 0.000 0.645 171 D N -0.392 119.961 120.400 -0.078 0.000 2.117 171 D HA -0.020 4.618 4.640 -0.004 0.000 0.198 171 D C 2.058 178.253 176.300 -0.175 0.000 0.982 171 D CA 1.511 55.405 54.000 -0.177 0.000 0.828 171 D CB 0.078 40.843 40.800 -0.059 0.000 0.967 171 D HN 0.590 nan 8.370 nan 0.000 0.464 172 E N 0.174 120.351 120.200 -0.040 0.000 2.007 172 E HA -0.220 4.128 4.350 -0.004 0.000 0.203 172 E C 1.919 178.503 176.600 -0.026 0.000 1.020 172 E CA 1.240 57.640 56.400 -0.000 0.000 0.845 172 E CB -0.144 29.561 29.700 0.008 0.000 0.779 172 E HN 0.184 nan 8.360 nan 0.000 0.466 173 A N 0.751 123.551 122.820 -0.033 0.000 2.194 173 A HA -0.220 4.098 4.320 -0.004 0.000 0.220 173 A C 2.029 179.584 177.584 -0.049 0.000 1.162 173 A CA 1.612 53.630 52.037 -0.032 0.000 0.674 173 A CB -0.472 18.516 19.000 -0.020 0.000 0.789 173 A HN 0.197 nan 8.150 nan 0.000 0.470 174 R N -2.047 118.391 120.500 -0.104 0.000 2.146 174 R HA 0.060 4.398 4.340 -0.004 0.000 0.206 174 R C 1.797 178.040 176.300 -0.095 0.000 1.049 174 R CA 0.866 56.891 56.100 -0.125 0.000 1.029 174 R CB -0.124 30.057 30.300 -0.198 0.000 0.949 174 R HN 0.742 nan 8.270 nan 0.000 0.471 175 H N -1.175 117.880 119.070 -0.025 0.000 2.343 175 H HA 0.049 4.603 4.556 -0.004 0.000 0.303 175 H C 1.769 177.067 175.328 -0.050 0.000 1.068 175 H CA 1.575 57.598 56.048 -0.042 0.000 1.359 175 H CB 0.254 29.981 29.762 -0.058 0.000 1.402 175 H HN 0.087 nan 8.280 nan 0.000 0.515 176 T N 1.266 115.866 114.554 0.077 0.000 2.614 176 T HA -0.120 4.227 4.350 -0.004 0.000 0.263 176 T C 2.014 176.713 174.700 -0.001 0.000 1.055 176 T CA 1.072 63.184 62.100 0.020 0.000 1.162 176 T CB -0.348 68.522 68.868 0.004 0.000 0.863 176 T HN 0.186 nan 8.240 nan 0.000 0.414 177 L N 0.773 121.986 121.223 -0.016 0.000 2.450 177 L HA -0.012 4.326 4.340 -0.004 0.000 0.224 177 L C 2.319 179.168 176.870 -0.035 0.000 1.149 177 L CA 0.493 55.311 54.840 -0.036 0.000 0.816 177 L CB -0.554 41.474 42.059 -0.053 0.000 0.932 177 L HN 0.230 nan 8.230 nan 0.000 0.449 178 L N 0.106 121.320 121.223 -0.014 0.000 2.127 178 L HA 0.039 4.377 4.340 -0.004 0.000 0.203 178 L C 2.601 179.460 176.870 -0.018 0.000 1.080 178 L CA 1.741 56.573 54.840 -0.012 0.000 0.768 178 L CB -0.478 41.592 42.059 0.018 0.000 0.924 178 L HN 0.074 nan 8.230 nan 0.000 0.444 179 A N -1.160 121.652 122.820 -0.012 0.000 1.897 179 A HA -0.172 4.146 4.320 -0.004 0.000 0.215 179 A C 2.392 179.965 177.584 -0.019 0.000 1.181 179 A CA 1.988 54.010 52.037 -0.026 0.000 0.620 179 A CB -1.304 17.675 19.000 -0.035 0.000 0.821 179 A HN 0.568 nan 8.150 nan 0.000 0.443 180 T N -1.825 112.719 114.554 -0.017 0.000 2.788 180 T HA -0.003 4.345 4.350 -0.004 0.000 0.268 180 T C 1.900 176.581 174.700 -0.032 0.000 1.044 180 T CA 1.965 64.056 62.100 -0.015 0.000 1.139 180 T CB -0.815 68.043 68.868 -0.016 0.000 0.867 180 T HN 0.398 nan 8.240 nan 0.000 0.454 181 G N 0.992 109.765 108.800 -0.045 0.000 2.440 181 G HA2 0.020 3.978 3.960 -0.004 0.000 0.218 181 G HA3 0.020 3.978 3.960 -0.004 0.000 0.218 181 G C 1.974 176.842 174.900 -0.055 0.000 1.154 181 G CA 0.991 46.056 45.100 -0.058 0.000 0.767 181 G HN 0.782 nan 8.290 nan 0.000 0.552 182 A N 1.107 123.904 122.820 -0.038 0.000 1.877 182 A HA 0.273 4.590 4.320 -0.004 0.000 0.216 182 A C 2.819 180.404 177.584 0.002 0.000 1.186 182 A CA 2.353 54.377 52.037 -0.022 0.000 0.620 182 A CB -0.827 18.165 19.000 -0.012 0.000 0.822 182 A HN 0.757 nan 8.150 nan 0.000 0.443 183 A N -0.082 122.748 122.820 0.017 0.000 1.832 183 A HA 0.191 4.508 4.320 -0.004 0.000 0.214 183 A C 2.546 180.107 177.584 -0.039 0.000 1.200 183 A CA 2.208 54.262 52.037 0.029 0.000 0.610 183 A CB -1.345 17.683 19.000 0.046 0.000 0.842 183 A HN 1.244 nan 8.150 nan 0.000 0.444 184 A N -0.597 122.195 122.820 -0.048 0.000 2.054 184 A HA -0.056 4.262 4.320 -0.004 0.000 0.223 184 A C 2.311 179.832 177.584 -0.105 0.000 1.169 184 A CA 2.282 54.276 52.037 -0.071 0.000 0.655 184 A CB -1.394 17.569 19.000 -0.063 0.000 0.812 184 A HN 0.841 nan 8.150 nan 0.000 0.462 185 G N -0.829 107.901 108.800 -0.117 0.000 2.394 185 G HA2 -0.023 3.935 3.960 -0.004 0.000 0.215 185 G HA3 -0.023 3.935 3.960 -0.004 0.000 0.215 185 G C 1.469 176.211 174.900 -0.263 0.000 1.165 185 G CA 1.050 46.047 45.100 -0.171 0.000 0.784 185 G HN 0.478 nan 8.290 nan 0.000 0.535 186 L N 1.015 122.075 121.223 -0.272 0.000 2.068 186 L HA 0.312 4.650 4.340 -0.004 0.000 0.204 186 L C 3.140 179.810 176.870 -0.334 0.000 1.076 186 L CA 1.872 56.461 54.840 -0.418 0.000 0.753 186 L CB -0.596 41.198 42.059 -0.442 0.000 0.910 186 L HN 0.218 nan 8.230 nan 0.000 0.439 187 A N -0.108 122.595 122.820 -0.196 0.000 1.884 187 A HA -0.265 4.052 4.320 -0.004 0.000 0.219 187 A C 2.370 179.818 177.584 -0.228 0.000 1.197 187 A CA 2.253 54.196 52.037 -0.156 0.000 0.637 187 A CB -1.385 17.548 19.000 -0.111 0.000 0.827 187 A HN 0.558 nan 8.150 nan 0.000 0.450 188 A N -1.074 121.617 122.820 -0.214 0.000 2.172 188 A HA 0.336 4.653 4.320 -0.004 0.000 0.216 188 A C 2.159 179.550 177.584 -0.322 0.000 1.154 188 A CA 1.621 53.527 52.037 -0.218 0.000 0.701 188 A CB -0.598 18.357 19.000 -0.075 0.000 0.789 188 A HN 1.077 nan 8.150 nan 0.000 0.465 189 A N -2.204 120.371 122.820 -0.408 0.000 2.147 189 A HA 0.440 4.758 4.320 -0.004 0.000 0.211 189 A C 1.336 178.599 177.584 -0.535 0.000 1.160 189 A CA 0.551 52.285 52.037 -0.505 0.000 0.781 189 A CB -0.180 18.381 19.000 -0.732 0.000 0.842 189 A HN 0.511 nan 8.150 nan 0.000 0.475 190 F N -2.013 117.776 119.950 -0.268 0.000 2.798 190 F HA 0.208 4.733 4.527 -0.003 0.000 0.328 190 F C 0.888 176.471 175.800 -0.362 0.000 1.098 190 F CA -0.159 57.696 58.000 -0.241 0.000 1.172 190 F CB 0.648 39.563 39.000 -0.141 0.000 1.072 190 F HN 0.204 nan 8.300 nan 0.000 0.555 191 N N 1.968 120.411 118.700 -0.427 0.000 2.735 191 N HA -0.222 4.516 4.740 -0.004 0.000 0.248 191 N C -0.559 174.863 175.510 -0.146 0.000 1.083 191 N CA 0.734 53.529 53.050 -0.425 0.000 0.703 191 N CB -0.949 37.313 38.487 -0.376 0.000 1.005 191 N HN 0.330 nan 8.380 nan 0.000 0.550 192 A N -0.175 122.591 122.820 -0.089 0.000 2.938 192 A HA 0.569 4.886 4.320 -0.004 0.000 0.344 192 A C -1.309 176.246 177.584 -0.049 0.000 1.142 192 A CA -1.064 50.952 52.037 -0.036 0.000 0.841 192 A CB 0.944 19.960 19.000 0.026 0.000 1.083 192 A HN 0.125 nan 8.150 nan 0.000 0.479 193 P HA -0.255 nan 4.420 nan 0.000 0.216 193 P C 1.588 178.844 177.300 -0.074 0.000 1.167 193 P CA 1.382 64.420 63.100 -0.103 0.000 0.914 193 P CB 0.058 31.670 31.700 -0.147 0.000 0.793 194 L N -1.650 119.540 121.223 -0.054 0.000 2.083 194 L HA -0.171 4.167 4.340 -0.004 0.000 0.209 194 L C 2.505 179.400 176.870 0.041 0.000 1.083 194 L CA 1.614 56.455 54.840 0.001 0.000 0.752 194 L CB -1.381 40.682 42.059 0.007 0.000 0.899 194 L HN -0.038 nan 8.230 nan 0.000 0.433 195 A N 0.823 123.661 122.820 0.030 0.000 1.902 195 A HA -0.118 4.200 4.320 -0.004 0.000 0.217 195 A C 2.454 180.084 177.584 0.077 0.000 1.181 195 A CA 1.746 53.819 52.037 0.060 0.000 0.623 195 A CB -1.277 17.752 19.000 0.048 0.000 0.818 195 A HN 0.428 nan 8.150 nan 0.000 0.443 196 G N 0.341 109.159 108.800 0.031 0.000 2.514 196 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.217 196 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.217 196 G C 1.505 176.481 174.900 0.128 0.000 1.198 196 G CA 1.364 46.490 45.100 0.043 0.000 0.780 196 G HN 0.486 nan 8.290 nan 0.000 0.565 197 I N 0.355 120.990 120.570 0.108 0.000 2.163 197 I HA -0.133 4.035 4.170 -0.004 0.000 0.243 197 I C 2.629 178.829 176.117 0.138 0.000 1.085 197 I CA 0.597 61.985 61.300 0.147 0.000 1.347 197 I CB -0.248 37.892 38.000 0.234 0.000 1.044 197 I HN 0.060 nan 8.210 nan 0.000 0.408 198 L N -0.367 120.942 121.223 0.143 0.000 2.131 198 L HA -0.225 4.113 4.340 -0.004 0.000 0.210 198 L C 2.520 179.493 176.870 0.173 0.000 1.092 198 L CA 1.854 56.772 54.840 0.130 0.000 0.759 198 L CB -1.003 41.127 42.059 0.118 0.000 0.903 198 L HN 0.266 nan 8.230 nan 0.000 0.435 199 F N 0.754 120.723 119.950 0.030 0.000 2.075 199 F HA -0.253 4.272 4.527 -0.003 0.000 0.297 199 F C 2.336 178.137 175.800 0.002 0.000 1.113 199 F CA 1.232 59.251 58.000 0.032 0.000 1.218 199 F CB -0.350 38.653 39.000 0.005 0.000 0.984 199 F HN -0.062 nan 8.300 nan 0.000 0.472 200 I N 1.262 121.817 120.570 -0.025 0.000 2.069 200 I HA -0.276 3.892 4.170 -0.004 0.000 0.237 200 I C 2.098 178.118 176.117 -0.162 0.000 1.053 200 I CA 1.794 62.998 61.300 -0.160 0.000 1.311 200 I CB -1.031 36.941 38.000 -0.046 0.000 1.030 200 I HN 0.323 nan 8.210 nan 0.000 0.398 201 I N -1.678 118.848 120.570 -0.074 0.000 3.731 201 I HA 0.134 4.302 4.170 -0.004 0.000 0.316 201 I C 0.996 177.072 176.117 -0.068 0.000 1.395 201 I CA 0.724 61.978 61.300 -0.077 0.000 1.294 201 I CB -0.348 37.623 38.000 -0.047 0.000 1.238 201 I HN 0.372 nan 8.210 nan 0.000 0.437 202 E N 0.690 120.832 120.200 -0.096 0.000 2.552 202 E HA -0.069 4.278 4.350 -0.004 0.000 0.189 202 E C 0.898 177.433 176.600 -0.110 0.000 0.970 202 E CA 0.395 56.752 56.400 -0.071 0.000 1.571 202 E CB 0.566 30.267 29.700 0.001 0.000 2.223 202 E HN 0.611 nan 8.360 nan 0.000 1.018 203 E N -0.666 119.411 120.200 -0.205 0.000 2.879 203 E HA 0.158 4.506 4.350 -0.004 0.000 0.206 203 E C 1.652 178.047 176.600 -0.342 0.000 0.969 203 E CA 0.331 56.586 56.400 -0.241 0.000 1.496 203 E CB -0.012 29.555 29.700 -0.220 0.000 1.454 203 E HN -0.034 nan 8.360 nan 0.000 0.750 204 M N 1.695 120.987 119.600 -0.513 0.000 2.077 204 M HA 0.058 4.536 4.480 -0.004 0.000 0.261 204 M C 0.808 176.946 176.300 -0.270 0.000 1.070 204 M CA 1.119 56.151 55.300 -0.446 0.000 1.125 204 M CB -1.136 31.165 32.600 -0.499 0.000 1.339 204 M HN 0.099 nan 8.290 nan 0.000 0.409 205 R N 1.690 122.044 120.500 -0.244 0.000 2.638 205 R HA 0.087 4.425 4.340 -0.004 0.000 0.268 205 R C -2.449 173.726 176.300 -0.207 0.000 1.006 205 R CA -1.194 54.777 56.100 -0.215 0.000 1.088 205 R CB -1.393 28.784 30.300 -0.204 0.000 0.950 205 R HN 0.016 nan 8.270 nan 0.000 0.419 206 P HA -0.152 nan 4.420 nan 0.000 0.252 206 P C -0.380 176.803 177.300 -0.195 0.000 1.136 206 P CA 0.668 63.680 63.100 -0.147 0.000 0.778 206 P CB 0.423 32.024 31.700 -0.166 0.000 0.722 207 Q N 2.523 122.138 119.800 -0.309 0.000 2.389 207 Q HA 0.038 4.376 4.340 -0.004 0.000 0.204 207 Q C 0.632 176.185 176.000 -0.746 0.000 0.944 207 Q CA 1.512 56.929 55.803 -0.643 0.000 0.908 207 Q CB -0.111 28.038 28.738 -0.981 0.000 1.002 207 Q HN 0.454 nan 8.270 nan 0.000 0.493 208 F N -0.959 118.977 119.950 -0.023 0.000 2.752 208 F HA 0.301 4.826 4.527 -0.004 0.000 0.310 208 F C 0.456 176.260 175.800 0.008 0.000 1.097 208 F CA -0.539 57.458 58.000 -0.004 0.000 1.238 208 F CB 0.487 39.486 39.000 -0.001 0.000 1.061 208 F HN -0.129 nan 8.300 nan 0.000 0.591 209 R N -1.087 119.498 120.500 0.142 0.000 2.807 209 R HA 0.395 4.733 4.340 -0.004 0.000 0.276 209 R C -1.045 175.302 176.300 0.078 0.000 0.979 209 R CA -0.900 55.269 56.100 0.116 0.000 0.928 209 R CB 0.774 31.140 30.300 0.111 0.000 1.191 209 R HN -0.019 nan 8.270 nan 0.000 0.471 210 Y N 1.422 121.718 120.300 -0.007 0.000 2.788 210 Y HA 0.084 4.632 4.550 -0.004 0.000 0.341 210 Y C -0.657 175.220 175.900 -0.037 0.000 1.258 210 Y CA 1.383 59.469 58.100 -0.023 0.000 1.503 210 Y CB 0.786 39.242 38.460 -0.008 0.000 1.325 210 Y HN 0.777 nan 8.280 nan 0.000 0.614 211 T N 5.363 119.439 114.554 -0.797 0.000 2.812 211 T HA 0.403 4.751 4.350 -0.004 0.000 0.294 211 T C -0.891 173.411 174.700 -0.664 0.000 1.159 211 T CA -0.864 60.900 62.100 -0.561 0.000 1.008 211 T CB 1.241 69.828 68.868 -0.468 0.000 1.289 211 T HN 0.378 nan 8.240 nan 0.000 0.514 212 L N 1.181 122.263 121.223 -0.236 0.000 3.096 212 L HA 0.448 4.786 4.340 -0.004 0.000 0.247 212 L C -0.371 176.469 176.870 -0.050 0.000 1.321 212 L CA 0.125 54.905 54.840 -0.101 0.000 1.044 212 L CB -0.817 41.275 42.059 0.054 0.000 1.434 212 L HN 0.484 nan 8.230 nan 0.000 0.533 213 I N -0.939 119.555 120.570 -0.127 0.000 2.322 213 I HA 0.161 4.328 4.170 -0.004 0.000 0.292 213 I C 0.924 176.999 176.117 -0.070 0.000 1.060 213 I CA -0.074 61.181 61.300 -0.076 0.000 1.309 213 I CB 0.857 38.792 38.000 -0.108 0.000 1.415 213 I HN 0.155 nan 8.210 nan 0.000 0.492 214 S N 5.781 121.459 115.700 -0.038 0.000 2.443 214 S HA 0.267 4.735 4.470 -0.004 0.000 0.284 214 S C 1.181 175.753 174.600 -0.046 0.000 1.206 214 S CA -0.394 57.784 58.200 -0.038 0.000 1.074 214 S CB 0.219 63.406 63.200 -0.021 0.000 0.963 214 S HN 0.586 nan 8.310 nan 0.000 0.501 215 I N 5.185 125.710 120.570 -0.074 0.000 2.252 215 I HA -0.123 4.045 4.170 -0.004 0.000 0.245 215 I C 2.506 178.542 176.117 -0.135 0.000 1.102 215 I CA 1.097 62.335 61.300 -0.103 0.000 1.385 215 I CB -0.140 37.773 38.000 -0.145 0.000 1.064 215 I HN 0.681 nan 8.210 nan 0.000 0.414 216 K N 0.981 121.292 120.400 -0.147 0.000 2.160 216 K HA -0.235 4.083 4.320 -0.004 0.000 0.206 216 K C 2.025 178.638 176.600 0.021 0.000 1.047 216 K CA 1.585 57.806 56.287 -0.111 0.000 0.930 216 K CB -0.072 32.378 32.500 -0.082 0.000 0.720 216 K HN 0.360 nan 8.250 nan 0.000 0.450 217 A N 0.380 123.207 122.820 0.011 0.000 1.930 217 A HA -0.042 4.276 4.320 -0.004 0.000 0.215 217 A C 2.171 179.785 177.584 0.051 0.000 1.176 217 A CA 1.101 53.154 52.037 0.027 0.000 0.632 217 A CB -0.411 18.590 19.000 0.002 0.000 0.819 217 A HN 0.140 nan 8.150 nan 0.000 0.445 218 V N -0.667 119.282 119.914 0.059 0.000 2.252 218 V HA -0.292 3.826 4.120 -0.004 0.000 0.249 218 V C 2.244 178.440 176.094 0.170 0.000 1.056 218 V CA 2.252 64.604 62.300 0.086 0.000 1.022 218 V CB -1.051 30.818 31.823 0.077 0.000 0.641 218 V HN 0.506 nan 8.190 nan 0.000 0.445 219 F N 0.390 120.324 119.950 -0.026 0.000 2.008 219 F HA -0.250 4.275 4.527 -0.004 0.000 0.297 219 F C 2.307 178.090 175.800 -0.029 0.000 1.156 219 F CA 1.932 59.918 58.000 -0.024 0.000 1.191 219 F CB -1.058 37.930 39.000 -0.019 0.000 0.955 219 F HN 0.057 nan 8.300 nan 0.000 0.497 220 I N -0.312 120.364 120.570 0.175 0.000 2.181 220 I HA -0.355 3.813 4.170 -0.004 0.000 0.247 220 I C 2.644 178.753 176.117 -0.013 0.000 1.081 220 I CA 1.558 62.886 61.300 0.047 0.000 1.340 220 I CB -1.589 36.431 38.000 0.032 0.000 1.036 220 I HN 0.287 nan 8.210 nan 0.000 0.417 221 G N 1.092 109.889 108.800 -0.006 0.000 2.511 221 G HA2 -0.203 3.754 3.960 -0.004 0.000 0.216 221 G HA3 -0.203 3.754 3.960 -0.004 0.000 0.216 221 G C 1.680 176.552 174.900 -0.047 0.000 1.218 221 G CA 1.275 46.353 45.100 -0.037 0.000 0.788 221 G HN 0.277 nan 8.290 nan 0.000 0.560 222 V N 1.452 121.340 119.914 -0.043 0.000 2.324 222 V HA -0.224 3.894 4.120 -0.004 0.000 0.250 222 V C 2.829 178.863 176.094 -0.099 0.000 1.060 222 V CA 1.777 64.032 62.300 -0.075 0.000 1.042 222 V CB -0.530 31.240 31.823 -0.089 0.000 0.650 222 V HN 0.417 nan 8.190 nan 0.000 0.450 223 I N -0.944 119.552 120.570 -0.123 0.000 2.118 223 I HA -0.319 3.849 4.170 -0.004 0.000 0.241 223 I C 2.654 178.732 176.117 -0.066 0.000 1.070 223 I CA 1.602 62.831 61.300 -0.118 0.000 1.327 223 I CB -0.464 37.468 38.000 -0.113 0.000 1.034 223 I HN 0.267 nan 8.210 nan 0.000 0.405 224 M N 0.820 120.387 119.600 -0.056 0.000 2.073 224 M HA -0.207 4.271 4.480 -0.004 0.000 0.258 224 M C 2.706 178.996 176.300 -0.016 0.000 1.070 224 M CA 2.451 57.727 55.300 -0.042 0.000 1.103 224 M CB -1.677 30.887 32.600 -0.060 0.000 1.321 224 M HN 0.434 nan 8.290 nan 0.000 0.405 225 S N -1.685 114.002 115.700 -0.022 0.000 2.428 225 S HA -0.079 4.389 4.470 -0.004 0.000 0.230 225 S C 1.935 176.560 174.600 0.042 0.000 1.014 225 S CA 1.557 59.758 58.200 0.003 0.000 0.957 225 S CB -0.810 62.373 63.200 -0.028 0.000 0.784 225 S HN 0.457 nan 8.310 nan 0.000 0.499 226 T N 2.763 117.325 114.554 0.013 0.000 2.770 226 T HA 0.174 4.522 4.350 -0.004 0.000 0.263 226 T C 1.692 176.453 174.700 0.103 0.000 1.039 226 T CA 1.356 63.486 62.100 0.049 0.000 1.142 226 T CB -0.475 68.384 68.868 -0.015 0.000 0.868 226 T HN 0.390 nan 8.240 nan 0.000 0.435 227 I N 1.095 121.692 120.570 0.045 0.000 2.151 227 I HA -0.241 3.927 4.170 -0.004 0.000 0.243 227 I C 2.490 178.651 176.117 0.073 0.000 1.080 227 I CA 1.084 62.407 61.300 0.037 0.000 1.339 227 I CB -0.372 37.628 38.000 0.000 0.000 1.039 227 I HN 0.208 nan 8.210 nan 0.000 0.409 228 M N -0.490 119.174 119.600 0.106 0.000 2.080 228 M HA -0.261 4.217 4.480 -0.004 0.000 0.260 228 M C 2.479 178.948 176.300 0.283 0.000 1.068 228 M CA 1.936 57.350 55.300 0.190 0.000 1.109 228 M CB -1.503 31.188 32.600 0.152 0.000 1.342 228 M HN 0.289 nan 8.290 nan 0.000 0.405 229 Y N 1.361 121.731 120.300 0.117 0.000 2.181 229 Y HA -0.180 4.367 4.550 -0.004 0.000 0.288 229 Y C 2.368 178.353 175.900 0.142 0.000 1.146 229 Y CA 1.718 59.894 58.100 0.126 0.000 1.164 229 Y CB -0.090 38.403 38.460 0.056 0.000 0.982 229 Y HN 0.123 nan 8.280 nan 0.000 0.515 230 R N 0.141 120.729 120.500 0.146 0.000 2.148 230 R HA -0.111 4.227 4.340 -0.004 0.000 0.227 230 R C 2.083 178.328 176.300 -0.092 0.000 1.103 230 R CA 1.312 57.432 56.100 0.033 0.000 0.983 230 R CB -0.518 29.833 30.300 0.084 0.000 0.874 230 R HN 0.441 nan 8.270 nan 0.000 0.451 231 I N 0.088 120.576 120.570 -0.137 0.000 2.286 231 I HA -0.227 3.940 4.170 -0.004 0.000 0.248 231 I C 1.612 177.344 176.117 -0.642 0.000 1.115 231 I CA 1.666 62.705 61.300 -0.435 0.000 1.392 231 I CB -0.651 36.975 38.000 -0.623 0.000 1.065 231 I HN 0.014 nan 8.210 nan 0.000 0.418 232 F N 0.101 119.928 119.950 -0.205 0.000 2.720 232 F HA 0.199 4.724 4.527 -0.004 0.000 0.301 232 F C 1.550 177.305 175.800 -0.075 0.000 1.103 232 F CA 0.102 58.011 58.000 -0.153 0.000 1.291 232 F CB -0.179 38.750 39.000 -0.119 0.000 1.086 232 F HN 0.048 nan 8.300 nan 0.000 0.592 233 N N -0.628 118.050 118.700 -0.038 0.000 2.194 233 N HA -0.019 4.719 4.740 -0.004 0.000 0.231 233 N C -0.183 175.300 175.510 -0.044 0.000 1.247 233 N CA -0.035 52.902 53.050 -0.188 0.000 0.884 233 N CB 0.006 37.956 38.487 -0.894 0.000 1.146 233 N HN 0.242 nan 8.380 nan 0.000 0.516 234 H N 1.680 120.654 119.070 -0.160 0.000 3.152 234 H HA -0.087 4.467 4.556 -0.003 0.000 0.328 234 H C 0.147 175.445 175.328 -0.051 0.000 1.032 234 H CA 0.912 56.910 56.048 -0.083 0.000 1.337 234 H CB 0.018 29.728 29.762 -0.086 0.000 1.256 234 H HN 0.203 nan 8.280 nan 0.000 0.599 235 E N -0.567 119.594 120.200 -0.066 0.000 2.476 235 E HA -0.117 4.231 4.350 -0.004 0.000 0.251 235 E C -1.138 175.389 176.600 -0.122 0.000 1.130 235 E CA 0.813 57.138 56.400 -0.125 0.000 0.736 235 E CB -1.205 28.368 29.700 -0.212 0.000 1.298 235 E HN 0.534 nan 8.360 nan 0.000 0.400 236 V N -1.109 118.767 119.914 -0.063 0.000 2.737 236 V HA 0.586 4.704 4.120 -0.004 0.000 0.298 236 V C 0.090 176.193 176.094 0.015 0.000 1.163 236 V CA -0.408 61.872 62.300 -0.032 0.000 0.925 236 V CB 1.753 33.553 31.823 -0.039 0.000 1.037 236 V HN 0.252 nan 8.190 nan 0.000 0.433 237 A N 3.610 126.434 122.820 0.006 0.000 2.322 237 A HA 0.778 5.095 4.320 -0.004 0.000 0.269 237 A C 0.948 178.514 177.584 -0.030 0.000 1.094 237 A CA -0.351 51.689 52.037 0.004 0.000 0.807 237 A CB 0.553 19.544 19.000 -0.015 0.000 1.047 237 A HN 0.932 nan 8.150 nan 0.000 0.487 238 L N 0.809 121.981 121.223 -0.085 0.000 2.056 238 L HA 0.028 4.366 4.340 -0.004 0.000 0.207 238 L C 0.163 176.884 176.870 -0.247 0.000 1.078 238 L CA 1.211 55.915 54.840 -0.228 0.000 0.749 238 L CB -0.303 41.471 42.059 -0.475 0.000 0.901 238 L HN 0.577 nan 8.230 nan 0.000 0.433 239 I N -0.381 120.069 120.570 -0.199 0.000 2.410 239 I HA 0.195 4.362 4.170 -0.004 0.000 0.286 239 I C -0.969 175.114 176.117 -0.056 0.000 1.009 239 I CA -0.439 60.795 61.300 -0.110 0.000 1.111 239 I CB 1.712 39.650 38.000 -0.103 0.000 1.262 239 I HN -0.123 nan 8.210 nan 0.000 0.443 240 D N 5.176 125.561 120.400 -0.026 0.000 2.217 240 D HA 0.452 5.090 4.640 -0.004 0.000 0.243 240 D C -0.083 176.218 176.300 0.001 0.000 1.054 240 D CA -0.080 53.912 54.000 -0.013 0.000 0.838 240 D CB 2.428 43.222 40.800 -0.010 0.000 1.162 240 D HN 0.237 nan 8.370 nan 0.000 0.472 241 V N 2.169 122.084 119.914 0.002 0.000 3.356 241 V HA 0.349 4.467 4.120 -0.004 0.000 0.274 241 V C 0.771 176.872 176.094 0.011 0.000 1.631 241 V CA 0.673 62.980 62.300 0.012 0.000 1.025 241 V CB -0.069 31.762 31.823 0.013 0.000 0.840 241 V HN 0.942 nan 8.190 nan 0.000 0.419 242 G N 1.865 110.668 108.800 0.005 0.000 2.880 242 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.617 242 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.617 242 G C -0.387 174.516 174.900 0.006 0.000 1.493 242 G CA 0.187 45.290 45.100 0.005 0.000 0.916 242 G HN 0.537 nan 8.290 nan 0.000 0.553 243 K N 0.744 121.147 120.400 0.006 0.000 2.363 243 K HA 0.422 4.740 4.320 -0.004 0.000 0.289 243 K C 1.112 177.716 176.600 0.007 0.000 1.063 243 K CA -0.338 55.952 56.287 0.005 0.000 0.967 243 K CB 0.028 32.531 32.500 0.006 0.000 0.987 243 K HN 0.452 nan 8.250 nan 0.000 0.473 244 L N 2.611 123.837 121.223 0.005 0.000 2.470 244 L HA 0.184 4.522 4.340 -0.004 0.000 0.243 244 L C 0.931 177.806 176.870 0.008 0.000 1.227 244 L CA 0.050 54.897 54.840 0.012 0.000 0.824 244 L CB 0.668 42.733 42.059 0.009 0.000 1.175 244 L HN 0.969 nan 8.230 nan 0.000 0.503 245 S N -0.509 115.205 115.700 0.022 0.000 2.633 245 S HA 0.152 4.620 4.470 -0.004 0.000 0.257 245 S C -0.344 174.255 174.600 -0.001 0.000 1.265 245 S CA -0.743 57.471 58.200 0.023 0.000 0.980 245 S CB 0.751 63.983 63.200 0.052 0.000 1.017 245 S HN 0.485 nan 8.310 nan 0.000 0.577 246 D N 0.009 120.410 120.400 0.002 0.000 2.437 246 D HA 0.700 5.338 4.640 -0.004 0.000 0.259 246 D C -0.595 175.697 176.300 -0.013 0.000 1.118 246 D CA -0.252 53.732 54.000 -0.027 0.000 1.017 246 D CB 1.164 41.950 40.800 -0.024 0.000 1.120 246 D HN 0.825 nan 8.370 nan 0.000 0.541 247 A N 0.871 123.662 122.820 -0.049 0.000 2.311 247 A HA 0.622 4.940 4.320 -0.004 0.000 0.306 247 A C -2.491 175.088 177.584 -0.009 0.000 1.189 247 A CA -1.240 50.788 52.037 -0.014 0.000 0.791 247 A CB 0.586 19.559 19.000 -0.046 0.000 1.172 247 A HN 0.297 nan 8.150 nan 0.000 0.481 248 P HA 0.245 nan 4.420 nan 0.000 0.272 248 P C 0.967 178.281 177.300 0.024 0.000 1.223 248 P CA -0.468 62.654 63.100 0.036 0.000 0.784 248 P CB 0.557 32.306 31.700 0.082 0.000 0.923 249 L N 1.049 122.292 121.223 0.034 0.000 2.081 249 L HA -0.216 4.122 4.340 -0.004 0.000 0.212 249 L C 1.848 178.764 176.870 0.076 0.000 1.080 249 L CA 1.628 56.495 54.840 0.044 0.000 0.754 249 L CB -0.967 41.118 42.059 0.044 0.000 0.893 249 L HN 0.522 nan 8.230 nan 0.000 0.433 250 N N -1.452 117.302 118.700 0.090 0.000 2.515 250 N HA -0.100 4.638 4.740 -0.004 0.000 0.191 250 N C 1.179 176.701 175.510 0.021 0.000 1.182 250 N CA 0.854 53.991 53.050 0.145 0.000 0.879 250 N CB -0.167 38.456 38.487 0.226 0.000 0.984 250 N HN 0.129 nan 8.380 nan 0.000 0.453 251 T N 0.293 114.769 114.554 -0.130 0.000 3.014 251 T HA 0.320 4.667 4.350 -0.004 0.000 0.250 251 T C 1.723 176.250 174.700 -0.289 0.000 1.060 251 T CA -0.341 61.509 62.100 -0.417 0.000 1.040 251 T CB 0.299 69.012 68.868 -0.258 0.000 0.971 251 T HN 0.079 nan 8.240 nan 0.000 0.497 252 L N 1.249 122.475 121.223 0.005 0.000 1.989 252 L HA -0.092 4.246 4.340 -0.004 0.000 0.211 252 L C 2.830 179.745 176.870 0.076 0.000 1.071 252 L CA 1.601 56.522 54.840 0.134 0.000 0.749 252 L CB -0.645 41.483 42.059 0.115 0.000 0.890 252 L HN 0.569 nan 8.230 nan 0.000 0.431 253 W N 0.479 121.778 121.300 -0.001 0.000 2.313 253 W HA -0.252 4.406 4.660 -0.003 0.000 0.293 253 W C 1.727 178.247 176.519 0.001 0.000 1.216 253 W CA 0.855 58.201 57.345 0.003 0.000 1.223 253 W CB -1.302 28.151 29.460 -0.012 0.000 1.138 253 W HN 0.198 nan 8.180 nan 0.000 0.535 254 L N -0.176 120.413 121.223 -1.056 0.000 2.141 254 L HA -0.222 4.116 4.340 -0.004 0.000 0.209 254 L C 2.644 179.342 176.870 -0.288 0.000 1.094 254 L CA 1.558 55.842 54.840 -0.927 0.000 0.763 254 L CB -0.818 40.561 42.059 -1.133 0.000 0.908 254 L HN -0.114 nan 8.230 nan 0.000 0.437 255 Y N -1.385 118.860 120.300 -0.090 0.000 2.314 255 Y HA -0.214 4.334 4.550 -0.004 0.000 0.293 255 Y C 2.217 178.072 175.900 -0.075 0.000 1.129 255 Y CA 0.412 58.469 58.100 -0.072 0.000 1.201 255 Y CB -0.151 38.203 38.460 -0.177 0.000 0.999 255 Y HN 0.086 nan 8.280 nan 0.000 0.541 256 L N 0.605 121.885 121.223 0.094 0.000 2.017 256 L HA -0.186 4.152 4.340 -0.004 0.000 0.208 256 L C 1.981 178.875 176.870 0.040 0.000 1.073 256 L CA 1.628 56.516 54.840 0.079 0.000 0.745 256 L CB -0.943 41.191 42.059 0.126 0.000 0.894 256 L HN 0.237 nan 8.230 nan 0.000 0.432 257 I N -0.784 119.805 120.570 0.033 0.000 2.264 257 I HA -0.303 3.864 4.170 -0.004 0.000 0.248 257 I C 2.445 178.423 176.117 -0.232 0.000 1.111 257 I CA 1.428 62.724 61.300 -0.006 0.000 1.382 257 I CB -0.450 37.614 38.000 0.106 0.000 1.060 257 I HN 0.371 nan 8.210 nan 0.000 0.418 258 L N 1.277 122.226 121.223 -0.457 0.000 2.056 258 L HA -0.055 4.283 4.340 -0.004 0.000 0.207 258 L C 2.377 179.143 176.870 -0.174 0.000 1.078 258 L CA 2.183 56.595 54.840 -0.713 0.000 0.749 258 L CB -1.138 40.521 42.059 -0.666 0.000 0.901 258 L HN 0.156 nan 8.230 nan 0.000 0.433 259 G N -0.081 108.707 108.800 -0.020 0.000 2.440 259 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.218 259 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.218 259 G C 1.631 176.568 174.900 0.061 0.000 1.154 259 G CA 1.317 46.459 45.100 0.069 0.000 0.767 259 G HN 0.484 nan 8.290 nan 0.000 0.552 260 I N 0.606 121.185 120.570 0.015 0.000 2.163 260 I HA -0.200 3.968 4.170 -0.004 0.000 0.243 260 I C 2.678 178.799 176.117 0.007 0.000 1.085 260 I CA 1.011 62.325 61.300 0.024 0.000 1.347 260 I CB -0.226 37.795 38.000 0.034 0.000 1.044 260 I HN 0.157 nan 8.210 nan 0.000 0.408 261 I N -0.221 120.302 120.570 -0.077 0.000 2.208 261 I HA -0.326 3.842 4.170 -0.004 0.000 0.245 261 I C 2.322 178.385 176.117 -0.091 0.000 1.097 261 I CA 1.781 62.997 61.300 -0.141 0.000 1.363 261 I CB -0.466 37.339 38.000 -0.324 0.000 1.051 261 I HN 0.069 nan 8.210 nan 0.000 0.413 262 F N 0.813 120.728 119.950 -0.058 0.000 2.171 262 F HA -0.134 4.391 4.527 -0.003 0.000 0.300 262 F C 2.583 178.391 175.800 0.013 0.000 1.090 262 F CA 1.307 59.312 58.000 0.007 0.000 1.293 262 F CB -0.804 38.169 39.000 -0.046 0.000 1.013 262 F HN 0.056 nan 8.300 nan 0.000 0.486 263 G N 0.741 109.640 108.800 0.164 0.000 2.440 263 G HA2 -0.305 3.653 3.960 -0.004 0.000 0.218 263 G HA3 -0.305 3.653 3.960 -0.004 0.000 0.218 263 G C 1.615 176.542 174.900 0.045 0.000 1.154 263 G CA 1.315 46.450 45.100 0.059 0.000 0.767 263 G HN 0.556 nan 8.290 nan 0.000 0.552 264 I N -2.843 117.767 120.570 0.068 0.000 2.333 264 I HA 0.206 4.374 4.170 -0.004 0.000 0.246 264 I C 2.385 178.541 176.117 0.064 0.000 1.106 264 I CA 0.958 62.294 61.300 0.061 0.000 1.411 264 I CB -0.207 37.834 38.000 0.069 0.000 1.082 264 I HN 0.039 nan 8.210 nan 0.000 0.420 265 F N 2.513 122.438 119.950 -0.041 0.000 2.325 265 F HA 0.217 4.743 4.527 -0.001 0.000 0.299 265 F C 2.197 177.967 175.800 -0.050 0.000 1.090 265 F CA 0.887 58.850 58.000 -0.062 0.000 1.392 265 F CB -0.704 38.255 39.000 -0.068 0.000 1.053 265 F HN 0.115 nan 8.300 nan 0.000 0.521 266 G N 1.284 110.028 108.800 -0.094 0.000 2.586 266 G HA2 -0.281 3.676 3.960 -0.004 0.000 0.218 266 G HA3 -0.281 3.676 3.960 -0.004 0.000 0.218 266 G C -0.665 174.084 174.900 -0.251 0.000 1.216 266 G CA 1.168 46.175 45.100 -0.155 0.000 0.786 266 G HN 0.304 nan 8.290 nan 0.000 0.583 267 P HA 0.024 nan 4.420 nan 0.000 0.217 267 P C 1.950 179.050 177.300 -0.333 0.000 1.151 267 P CA 0.621 63.600 63.100 -0.202 0.000 0.828 267 P CB -0.095 31.534 31.700 -0.119 0.000 0.788 268 I N -1.954 118.351 120.570 -0.442 0.000 2.248 268 I HA -0.285 3.882 4.170 -0.004 0.000 0.248 268 I C 2.221 177.586 176.117 -1.253 0.000 1.107 268 I CA 1.549 62.429 61.300 -0.700 0.000 1.373 268 I CB -0.667 36.976 38.000 -0.595 0.000 1.055 268 I HN -0.120 nan 8.210 nan 0.000 0.418 269 F N 1.786 120.955 119.950 -1.303 0.000 2.146 269 F HA -0.186 4.338 4.527 -0.004 0.000 0.298 269 F C 2.222 177.709 175.800 -0.521 0.000 1.096 269 F CA 1.792 59.156 58.000 -1.059 0.000 1.275 269 F CB -0.545 37.909 39.000 -0.911 0.000 1.008 269 F HN 0.069 nan 8.300 nan 0.000 0.480 270 N N -0.046 118.451 118.700 -0.338 0.000 2.104 270 N HA -0.239 4.499 4.740 -0.004 0.000 0.190 270 N C 1.832 177.233 175.510 -0.181 0.000 1.024 270 N CA 1.247 54.173 53.050 -0.206 0.000 0.853 270 N CB -0.165 38.246 38.487 -0.126 0.000 1.008 270 N HN 0.243 nan 8.380 nan 0.000 0.424 271 K N 0.442 120.720 120.400 -0.205 0.000 2.015 271 K HA -0.197 4.121 4.320 -0.004 0.000 0.216 271 K C 1.811 178.450 176.600 0.066 0.000 1.052 271 K CA 1.810 58.061 56.287 -0.061 0.000 0.937 271 K CB -0.120 32.361 32.500 -0.032 0.000 0.719 271 K HN 0.288 nan 8.250 nan 0.000 0.446 272 W N -0.090 121.090 121.300 -0.199 0.000 2.358 272 W HA -0.120 4.537 4.660 -0.005 0.000 0.303 272 W C 2.149 178.520 176.519 -0.246 0.000 1.208 272 W CA 0.363 57.576 57.345 -0.221 0.000 1.274 272 W CB -1.421 27.868 29.460 -0.285 0.000 1.138 272 W HN 0.033 nan 8.180 nan 0.000 0.515 273 V N 0.972 120.802 119.914 -0.141 0.000 2.343 273 V HA -0.258 3.859 4.120 -0.004 0.000 0.247 273 V C 2.028 178.148 176.094 0.044 0.000 1.051 273 V CA 1.825 64.077 62.300 -0.080 0.000 1.036 273 V CB -0.453 31.298 31.823 -0.121 0.000 0.654 273 V HN 0.091 nan 8.190 nan 0.000 0.451 274 L N 0.405 121.645 121.223 0.027 0.000 1.993 274 L HA 0.095 4.433 4.340 -0.004 0.000 0.206 274 L C 2.846 179.737 176.870 0.035 0.000 1.074 274 L CA 1.704 56.568 54.840 0.039 0.000 0.746 274 L CB -1.607 40.469 42.059 0.028 0.000 0.896 274 L HN 0.420 nan 8.230 nan 0.000 0.435 275 G N 0.047 108.873 108.800 0.044 0.000 2.597 275 G HA2 -0.403 3.554 3.960 -0.004 0.000 0.222 275 G HA3 -0.403 3.554 3.960 -0.004 0.000 0.222 275 G C 1.564 176.478 174.900 0.023 0.000 1.135 275 G CA 1.579 46.703 45.100 0.040 0.000 0.759 275 G HN 0.224 nan 8.290 nan 0.000 0.595 276 M N 0.011 119.630 119.600 0.031 0.000 2.319 276 M HA 0.123 4.601 4.480 -0.004 0.000 0.265 276 M C 2.459 178.777 176.300 0.031 0.000 1.068 276 M CA 1.336 56.648 55.300 0.021 0.000 1.118 276 M CB -0.276 32.343 32.600 0.032 0.000 1.395 276 M HN 0.347 nan 8.290 nan 0.000 0.435 277 Q N -0.156 119.667 119.800 0.038 0.000 2.124 277 Q HA -0.196 4.142 4.340 -0.004 0.000 0.202 277 Q C 1.310 177.325 176.000 0.024 0.000 0.977 277 Q CA 1.795 57.624 55.803 0.043 0.000 0.850 277 Q CB 0.021 28.776 28.738 0.028 0.000 0.901 277 Q HN 0.528 nan 8.270 nan 0.000 0.429 278 D N 0.239 120.640 120.400 0.001 0.000 2.084 278 D HA -0.141 4.497 4.640 -0.004 0.000 0.199 278 D C 1.793 178.079 176.300 -0.024 0.000 0.981 278 D CA 0.657 54.648 54.000 -0.015 0.000 0.841 278 D CB -0.394 40.395 40.800 -0.018 0.000 0.997 278 D HN 0.175 nan 8.370 nan 0.000 0.454 279 L N 0.382 121.587 121.223 -0.031 0.000 2.263 279 L HA -0.158 4.180 4.340 -0.004 0.000 0.216 279 L C 2.111 178.928 176.870 -0.088 0.000 1.111 279 L CA 0.781 55.589 54.840 -0.054 0.000 0.773 279 L CB 0.028 42.062 42.059 -0.042 0.000 0.906 279 L HN 0.014 nan 8.230 nan 0.000 0.439 280 L N -2.306 118.870 121.223 -0.078 0.000 2.416 280 L HA -0.109 4.229 4.340 -0.004 0.000 0.216 280 L C 2.233 178.865 176.870 -0.398 0.000 1.098 280 L CA 0.212 54.981 54.840 -0.118 0.000 0.840 280 L CB -0.277 41.791 42.059 0.014 0.000 0.981 280 L HN 0.245 nan 8.230 nan 0.000 0.462 281 H N 0.602 119.384 119.070 -0.480 0.000 2.321 281 H HA -0.118 4.436 4.556 -0.004 0.000 0.300 281 H C 2.334 177.156 175.328 -0.843 0.000 1.087 281 H CA 1.768 57.335 56.048 -0.802 0.000 1.319 281 H CB 0.217 29.773 29.762 -0.343 0.000 1.379 281 H HN 0.081 nan 8.280 nan 0.000 0.501 282 R N -0.433 119.816 120.500 -0.419 0.000 2.094 282 R HA -0.139 4.199 4.340 -0.004 0.000 0.239 282 R C 2.357 178.422 176.300 -0.392 0.000 1.137 282 R CA 1.773 57.673 56.100 -0.333 0.000 0.943 282 R CB -0.737 29.459 30.300 -0.173 0.000 0.850 282 R HN 0.197 nan 8.270 nan 0.000 0.433 283 V N 1.222 120.910 119.914 -0.376 0.000 2.439 283 V HA -0.277 3.841 4.120 -0.004 0.000 0.253 283 V C 1.822 177.759 176.094 -0.263 0.000 1.074 283 V CA 2.445 64.587 62.300 -0.262 0.000 1.076 283 V CB -0.939 30.784 31.823 -0.166 0.000 0.664 283 V HN 0.633 nan 8.190 nan 0.000 0.461 284 H N -2.320 116.541 119.070 -0.349 0.000 3.058 284 H HA 0.495 5.049 4.556 -0.004 0.000 0.258 284 H C 1.660 176.783 175.328 -0.342 0.000 1.015 284 H CA 0.416 56.260 56.048 -0.339 0.000 1.210 284 H CB 0.012 29.506 29.762 -0.445 0.000 1.481 284 H HN 0.267 nan 8.280 nan 0.000 0.492 285 G N 0.433 108.853 108.800 -0.633 0.000 2.186 285 G HA2 -0.185 3.773 3.960 -0.004 0.000 0.266 285 G HA3 -0.185 3.773 3.960 -0.004 0.000 0.266 285 G C 1.343 176.011 174.900 -0.388 0.000 0.982 285 G CA 1.047 45.852 45.100 -0.491 0.000 0.670 285 G HN 1.613 nan 8.290 nan 0.000 0.533 286 G N -1.156 107.481 108.800 -0.272 0.000 2.179 286 G HA2 -0.173 3.785 3.960 -0.004 0.000 0.220 286 G HA3 -0.173 3.785 3.960 -0.004 0.000 0.220 286 G C 0.083 175.142 174.900 0.266 0.000 0.990 286 G CA 0.688 45.875 45.100 0.145 0.000 0.646 286 G HN 1.761 nan 8.290 nan 0.000 0.517 287 N N 0.931 119.742 118.700 0.185 0.000 2.420 287 N HA 0.329 5.067 4.740 -0.004 0.000 0.262 287 N C 1.529 177.180 175.510 0.236 0.000 1.144 287 N CA 0.055 53.203 53.050 0.164 0.000 0.952 287 N CB 0.449 38.987 38.487 0.086 0.000 1.081 287 N HN 0.318 nan 8.380 nan 0.000 0.480 288 I N 2.642 123.332 120.570 0.200 0.000 2.381 288 I HA -0.357 3.811 4.170 -0.004 0.000 0.255 288 I C 0.868 177.084 176.117 0.165 0.000 1.140 288 I CA 1.526 62.937 61.300 0.186 0.000 1.404 288 I CB 0.163 38.241 38.000 0.130 0.000 1.075 288 I HN 0.589 nan 8.210 nan 0.000 0.433 289 T N -0.446 114.180 114.554 0.121 0.000 2.983 289 T HA -0.027 4.321 4.350 -0.004 0.000 0.250 289 T C 1.770 176.518 174.700 0.081 0.000 1.037 289 T CA 0.532 62.679 62.100 0.078 0.000 1.142 289 T CB -0.030 68.863 68.868 0.041 0.000 0.876 289 T HN 0.276 nan 8.240 nan 0.000 0.455 290 K N 0.233 120.687 120.400 0.090 0.000 2.147 290 K HA -0.086 4.231 4.320 -0.004 0.000 0.205 290 K C 1.960 178.610 176.600 0.084 0.000 1.049 290 K CA 0.928 57.260 56.287 0.074 0.000 0.936 290 K CB -0.026 32.514 32.500 0.067 0.000 0.722 290 K HN 0.300 nan 8.250 nan 0.000 0.446 291 W N 1.183 122.424 121.300 -0.098 0.000 2.376 291 W HA -0.153 4.505 4.660 -0.004 0.000 0.324 291 W C 1.942 178.288 176.519 -0.289 0.000 1.191 291 W CA 0.741 57.896 57.345 -0.316 0.000 1.282 291 W CB -0.910 28.335 29.460 -0.358 0.000 1.185 291 W HN -0.247 nan 8.180 nan 0.000 0.458 292 V N 1.525 121.525 119.914 0.144 0.000 2.363 292 V HA -0.362 3.756 4.120 -0.004 0.000 0.254 292 V C 2.489 178.564 176.094 -0.031 0.000 1.074 292 V CA 1.991 64.314 62.300 0.038 0.000 1.069 292 V CB -1.135 30.742 31.823 0.090 0.000 0.659 292 V HN 0.184 nan 8.190 nan 0.000 0.455 293 L N -1.441 119.782 121.223 -0.000 0.000 2.005 293 L HA -0.228 4.110 4.340 -0.004 0.000 0.207 293 L C 2.504 179.356 176.870 -0.031 0.000 1.072 293 L CA 2.239 57.079 54.840 -0.001 0.000 0.744 293 L CB -0.585 41.485 42.059 0.018 0.000 0.895 293 L HN 0.365 nan 8.230 nan 0.000 0.433 294 M N 0.057 119.626 119.600 -0.052 0.000 2.149 294 M HA -0.170 4.308 4.480 -0.004 0.000 0.261 294 M C 2.093 178.272 176.300 -0.201 0.000 1.064 294 M CA 2.134 57.388 55.300 -0.077 0.000 1.102 294 M CB -0.526 32.036 32.600 -0.063 0.000 1.369 294 M HN 0.304 nan 8.290 nan 0.000 0.408 295 G N -0.503 108.016 108.800 -0.468 0.000 2.514 295 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.217 295 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.217 295 G C 1.338 176.046 174.900 -0.320 0.000 1.198 295 G CA 1.023 45.444 45.100 -1.131 0.000 0.780 295 G HN 0.613 nan 8.290 nan 0.000 0.565 296 G N 0.354 109.085 108.800 -0.115 0.000 2.598 296 G HA2 0.225 4.183 3.960 -0.004 0.000 0.215 296 G HA3 0.225 4.183 3.960 -0.004 0.000 0.215 296 G C 1.767 176.634 174.900 -0.055 0.000 1.131 296 G CA 1.338 46.435 45.100 -0.006 0.000 0.785 296 G HN 0.687 nan 8.290 nan 0.000 0.539 297 A N 0.777 123.585 122.820 -0.020 0.000 1.903 297 A HA 0.217 4.535 4.320 -0.004 0.000 0.213 297 A C 2.276 179.844 177.584 -0.028 0.000 1.185 297 A CA 0.776 52.848 52.037 0.058 0.000 0.628 297 A CB -0.181 18.890 19.000 0.117 0.000 0.830 297 A HN 0.317 nan 8.150 nan 0.000 0.446 298 I N 0.098 120.659 120.570 -0.014 0.000 2.202 298 I HA -0.152 4.016 4.170 -0.004 0.000 0.242 298 I C 2.711 178.807 176.117 -0.034 0.000 1.091 298 I CA 1.114 62.424 61.300 0.015 0.000 1.368 298 I CB -0.768 37.282 38.000 0.084 0.000 1.058 298 I HN 0.341 nan 8.210 nan 0.000 0.410 299 G N 0.875 109.662 108.800 -0.022 0.000 2.476 299 G HA2 -0.241 3.717 3.960 -0.004 0.000 0.218 299 G HA3 -0.241 3.717 3.960 -0.004 0.000 0.218 299 G C 1.754 176.504 174.900 -0.250 0.000 1.164 299 G CA 1.022 46.095 45.100 -0.045 0.000 0.768 299 G HN 0.508 nan 8.290 nan 0.000 0.560 300 G N 0.784 109.224 108.800 -0.599 0.000 2.418 300 G HA2 -0.132 3.826 3.960 -0.004 0.000 0.217 300 G HA3 -0.132 3.826 3.960 -0.004 0.000 0.217 300 G C 1.764 176.124 174.900 -0.901 0.000 1.158 300 G CA 1.035 45.317 45.100 -1.363 0.000 0.771 300 G HN 0.510 nan 8.290 nan 0.000 0.545 301 L N 0.394 121.331 121.223 -0.477 0.000 2.187 301 L HA -0.025 4.313 4.340 -0.004 0.000 0.213 301 L C 2.581 179.445 176.870 -0.011 0.000 1.100 301 L CA 1.375 56.191 54.840 -0.039 0.000 0.765 301 L CB -0.675 41.420 42.059 0.060 0.000 0.904 301 L HN 0.236 nan 8.230 nan 0.000 0.437 302 C N -0.167 119.097 119.300 -0.059 0.000 2.508 302 C HA 0.046 4.504 4.460 -0.004 0.000 0.280 302 C C 2.819 177.819 174.990 0.015 0.000 1.262 302 C CA 0.661 59.678 59.018 -0.001 0.000 1.706 302 C CB -1.669 26.074 27.740 0.005 0.000 2.078 302 C HN 0.725 nan 8.230 nan 0.000 0.480 303 G N 0.259 109.044 108.800 -0.024 0.000 2.469 303 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.220 303 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.220 303 G C 1.577 176.520 174.900 0.072 0.000 1.136 303 G CA 1.148 46.256 45.100 0.014 0.000 0.759 303 G HN 0.504 nan 8.290 nan 0.000 0.562 304 L N 0.003 121.270 121.223 0.072 0.000 1.989 304 L HA 0.014 4.352 4.340 -0.004 0.000 0.211 304 L C 2.780 179.764 176.870 0.191 0.000 1.071 304 L CA 1.453 56.381 54.840 0.147 0.000 0.749 304 L CB -0.243 41.949 42.059 0.221 0.000 0.890 304 L HN 0.206 nan 8.230 nan 0.000 0.431 305 L N -0.722 120.595 121.223 0.156 0.000 2.141 305 L HA -0.081 4.256 4.340 -0.004 0.000 0.209 305 L C 2.065 179.031 176.870 0.161 0.000 1.094 305 L CA 0.891 55.828 54.840 0.162 0.000 0.763 305 L CB -0.894 41.235 42.059 0.117 0.000 0.908 305 L HN 0.470 nan 8.230 nan 0.000 0.437 306 G N -1.803 107.082 108.800 0.141 0.000 3.186 306 G HA2 -0.182 3.776 3.960 -0.004 0.000 0.214 306 G HA3 -0.182 3.776 3.960 -0.004 0.000 0.214 306 G C 0.803 175.811 174.900 0.181 0.000 1.222 306 G CA 0.110 45.287 45.100 0.127 0.000 0.921 306 G HN 0.378 nan 8.290 nan 0.000 0.504 307 F N -0.704 119.276 119.950 0.050 0.000 2.411 307 F HA 0.100 4.625 4.527 -0.002 0.000 0.286 307 F C 1.968 177.804 175.800 0.060 0.000 0.858 307 F CA 0.488 58.509 58.000 0.035 0.000 1.080 307 F CB 0.367 39.371 39.000 0.006 0.000 0.961 307 F HN 0.011 nan 8.300 nan 0.000 0.742 308 V N -0.736 119.411 119.914 0.388 0.000 3.541 308 V HA 0.588 4.706 4.120 -0.004 0.000 0.267 308 V C 0.427 176.639 176.094 0.197 0.000 1.213 308 V CA 0.910 63.397 62.300 0.311 0.000 1.149 308 V CB -0.416 31.613 31.823 0.343 0.000 0.822 308 V HN 0.521 nan 8.190 nan 0.000 0.462 309 A N -0.238 122.687 122.820 0.174 0.000 3.192 309 A HA 0.549 4.866 4.320 -0.004 0.000 0.225 309 A C -1.875 175.799 177.584 0.151 0.000 1.208 309 A CA -0.046 52.107 52.037 0.194 0.000 1.176 309 A CB -0.124 19.054 19.000 0.298 0.000 1.318 309 A HN 0.317 nan 8.150 nan 0.000 0.804 310 P HA -0.144 nan 4.420 nan 0.000 0.221 310 P C 1.786 179.137 177.300 0.084 0.000 1.145 310 P CA 1.817 64.969 63.100 0.086 0.000 0.795 310 P CB 0.270 32.004 31.700 0.057 0.000 0.775 311 A N -0.191 122.690 122.820 0.101 0.000 1.972 311 A HA -0.197 4.121 4.320 -0.004 0.000 0.219 311 A C 2.234 179.811 177.584 -0.011 0.000 1.169 311 A CA 2.375 54.447 52.037 0.057 0.000 0.635 311 A CB -1.928 17.095 19.000 0.039 0.000 0.810 311 A HN 0.356 nan 8.150 nan 0.000 0.446 312 T N -3.447 111.099 114.554 -0.012 0.000 2.995 312 T HA 0.063 4.411 4.350 -0.004 0.000 0.269 312 T C 1.306 175.991 174.700 -0.025 0.000 1.091 312 T CA 1.340 63.394 62.100 -0.077 0.000 1.128 312 T CB -0.238 68.579 68.868 -0.085 0.000 0.891 312 T HN 0.309 nan 8.240 nan 0.000 0.492 313 S N -0.697 115.014 115.700 0.019 0.000 2.618 313 S HA 0.638 5.105 4.470 -0.004 0.000 0.284 313 S C 0.848 175.463 174.600 0.024 0.000 1.102 313 S CA 0.179 58.397 58.200 0.029 0.000 0.984 313 S CB 0.502 63.734 63.200 0.052 0.000 1.280 313 S HN 1.312 nan 8.310 nan 0.000 0.525 314 G N -0.204 108.614 108.800 0.031 0.000 2.907 314 G HA2 -0.120 3.838 3.960 -0.004 0.000 0.242 314 G HA3 -0.120 3.838 3.960 -0.004 0.000 0.242 314 G C 0.865 175.766 174.900 0.000 0.000 1.448 314 G CA 0.049 45.165 45.100 0.026 0.000 0.911 314 G HN 1.405 nan 8.290 nan 0.000 0.553 315 G N -1.262 107.530 108.800 -0.014 0.000 2.422 315 G HA2 0.371 4.328 3.960 -0.004 0.000 0.218 315 G HA3 0.371 4.328 3.960 -0.004 0.000 0.218 315 G C 1.961 176.754 174.900 -0.179 0.000 1.146 315 G CA 2.129 47.169 45.100 -0.100 0.000 0.769 315 G HN 2.713 nan 8.290 nan 0.000 0.547 316 G N -0.854 107.898 108.800 -0.080 0.000 2.278 316 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.210 316 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.210 316 G C 1.204 176.147 174.900 0.071 0.000 1.000 316 G CA 0.386 45.462 45.100 -0.040 0.000 0.635 316 G HN 0.380 nan 8.290 nan 0.000 0.495 317 F N 1.747 121.741 119.950 0.073 0.000 2.147 317 F HA -0.206 4.318 4.527 -0.005 0.000 0.301 317 F C 2.590 178.435 175.800 0.074 0.000 1.084 317 F CA 1.510 59.554 58.000 0.073 0.000 1.268 317 F CB -0.121 38.931 39.000 0.087 0.000 1.009 317 F HN 0.211 nan 8.300 nan 0.000 0.486 318 N N 0.832 119.691 118.700 0.266 0.000 2.244 318 N HA -0.138 4.600 4.740 -0.004 0.000 0.183 318 N C 1.569 177.191 175.510 0.187 0.000 1.016 318 N CA 1.319 54.482 53.050 0.190 0.000 0.866 318 N CB -0.587 37.990 38.487 0.151 0.000 0.980 318 N HN 0.379 nan 8.380 nan 0.000 0.430 319 L N -2.449 118.898 121.223 0.207 0.000 2.592 319 L HA 0.396 4.734 4.340 -0.004 0.000 0.227 319 L C 1.499 178.526 176.870 0.262 0.000 1.127 319 L CA 0.491 55.499 54.840 0.279 0.000 0.884 319 L CB -0.277 41.946 42.059 0.272 0.000 1.065 319 L HN -0.061 nan 8.230 nan 0.000 0.457 320 I N 0.814 121.507 120.570 0.205 0.000 2.142 320 I HA -0.105 4.062 4.170 -0.004 0.000 0.240 320 I C -0.108 176.100 176.117 0.152 0.000 1.078 320 I CA 1.355 62.761 61.300 0.176 0.000 1.343 320 I CB -1.289 36.817 38.000 0.176 0.000 1.046 320 I HN 0.280 nan 8.210 nan 0.000 0.405 321 P HA -0.153 nan 4.420 nan 0.000 0.215 321 P C 1.863 179.210 177.300 0.079 0.000 1.157 321 P CA 1.605 64.755 63.100 0.083 0.000 0.868 321 P CB -0.048 31.688 31.700 0.060 0.000 0.788 322 I N -0.573 120.050 120.570 0.089 0.000 2.151 322 I HA -0.297 3.871 4.170 -0.004 0.000 0.243 322 I C 2.332 178.485 176.117 0.059 0.000 1.080 322 I CA 1.823 63.125 61.300 0.003 0.000 1.339 322 I CB -0.924 37.042 38.000 -0.057 0.000 1.039 322 I HN -0.071 nan 8.210 nan 0.000 0.409 323 A N 0.346 123.340 122.820 0.289 0.000 1.929 323 A HA -0.149 4.168 4.320 -0.004 0.000 0.216 323 A C 2.380 180.083 177.584 0.198 0.000 1.176 323 A CA 2.122 54.376 52.037 0.361 0.000 0.628 323 A CB -1.010 18.206 19.000 0.360 0.000 0.816 323 A HN 0.394 nan 8.150 nan 0.000 0.444 324 T N 0.662 115.305 114.554 0.149 0.000 2.720 324 T HA -0.065 4.283 4.350 -0.004 0.000 0.268 324 T C 2.041 176.794 174.700 0.089 0.000 1.037 324 T CA 1.522 63.691 62.100 0.115 0.000 1.144 324 T CB -0.429 68.492 68.868 0.088 0.000 0.864 324 T HN 0.573 nan 8.240 nan 0.000 0.444 325 A N 0.642 123.499 122.820 0.062 0.000 2.216 325 A HA 0.420 4.738 4.320 -0.004 0.000 0.214 325 A C 1.849 179.452 177.584 0.032 0.000 1.160 325 A CA 0.894 52.952 52.037 0.034 0.000 0.725 325 A CB -1.099 17.904 19.000 0.004 0.000 0.784 325 A HN 0.879 nan 8.150 nan 0.000 0.472 326 G N -0.462 108.373 108.800 0.058 0.000 2.272 326 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.280 326 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.280 326 G C 0.269 175.180 174.900 0.018 0.000 1.067 326 G CA 0.508 45.645 45.100 0.062 0.000 0.902 326 G HN 0.688 nan 8.290 nan 0.000 0.500 327 N N -1.308 117.361 118.700 -0.052 0.000 2.299 327 N HA 0.257 4.995 4.740 -0.004 0.000 0.187 327 N C 0.171 175.539 175.510 -0.237 0.000 1.099 327 N CA -0.258 52.689 53.050 -0.172 0.000 0.867 327 N CB 0.249 38.566 38.487 -0.284 0.000 0.974 327 N HN 0.370 nan 8.380 nan 0.000 0.477 328 F N 1.348 121.324 119.950 0.044 0.000 2.379 328 F HA 0.245 4.767 4.527 -0.008 0.000 0.332 328 F C 1.256 177.079 175.800 0.037 0.000 1.096 328 F CA -1.303 56.726 58.000 0.049 0.000 1.105 328 F CB 0.874 39.915 39.000 0.068 0.000 1.189 328 F HN -0.121 nan 8.300 nan 0.000 0.515 329 S N 2.171 118.020 115.700 0.249 0.000 2.617 329 S HA 0.114 4.582 4.470 -0.004 0.000 0.259 329 S C 1.039 175.714 174.600 0.125 0.000 1.301 329 S CA -0.700 57.583 58.200 0.138 0.000 0.984 329 S CB 0.535 63.797 63.200 0.103 0.000 0.954 329 S HN 0.761 nan 8.310 nan 0.000 0.572 330 M N 1.748 121.390 119.600 0.069 0.000 2.123 330 M HA 0.144 4.622 4.480 -0.004 0.000 0.263 330 M C 1.995 178.327 176.300 0.052 0.000 1.069 330 M CA 2.050 57.376 55.300 0.044 0.000 1.133 330 M CB -1.516 31.090 32.600 0.010 0.000 1.356 330 M HN 0.905 nan 8.290 nan 0.000 0.415 331 G N 0.311 109.143 108.800 0.054 0.000 2.628 331 G HA2 -0.332 3.625 3.960 -0.004 0.000 0.217 331 G HA3 -0.332 3.625 3.960 -0.004 0.000 0.217 331 G C 1.468 176.430 174.900 0.103 0.000 1.240 331 G CA 1.500 46.637 45.100 0.061 0.000 0.792 331 G HN 0.494 nan 8.290 nan 0.000 0.593 332 M N 0.477 120.146 119.600 0.115 0.000 2.143 332 M HA -0.023 4.455 4.480 -0.004 0.000 0.258 332 M C 2.374 178.734 176.300 0.100 0.000 1.071 332 M CA 1.224 56.617 55.300 0.154 0.000 1.088 332 M CB -0.555 32.183 32.600 0.229 0.000 1.360 332 M HN 0.255 nan 8.290 nan 0.000 0.404 333 L N -1.761 119.498 121.223 0.060 0.000 1.961 333 L HA -0.245 4.092 4.340 -0.004 0.000 0.210 333 L C 2.305 179.205 176.870 0.051 0.000 1.072 333 L CA 1.416 56.256 54.840 -0.000 0.000 0.749 333 L CB -0.972 41.104 42.059 0.028 0.000 0.889 333 L HN 0.120 nan 8.230 nan 0.000 0.432 334 V N -0.178 119.776 119.914 0.067 0.000 2.324 334 V HA -0.374 3.744 4.120 -0.004 0.000 0.250 334 V C 2.193 178.389 176.094 0.170 0.000 1.060 334 V CA 2.262 64.612 62.300 0.084 0.000 1.042 334 V CB -0.585 31.266 31.823 0.047 0.000 0.650 334 V HN 0.382 nan 8.190 nan 0.000 0.450 335 F N 0.478 120.449 119.950 0.034 0.000 2.025 335 F HA -0.268 4.260 4.527 0.003 0.000 0.297 335 F C 2.203 178.022 175.800 0.031 0.000 1.132 335 F CA 2.316 60.336 58.000 0.033 0.000 1.191 335 F CB -0.314 38.693 39.000 0.013 0.000 0.963 335 F HN 0.058 nan 8.300 nan 0.000 0.481 336 I N -0.400 120.066 120.570 -0.173 0.000 2.236 336 I HA -0.365 3.803 4.170 -0.004 0.000 0.249 336 I C 2.266 178.262 176.117 -0.201 0.000 1.102 336 I CA 1.754 62.876 61.300 -0.297 0.000 1.365 336 I CB -0.600 37.255 38.000 -0.241 0.000 1.051 336 I HN 0.288 nan 8.210 nan 0.000 0.420 337 F N 0.719 120.555 119.950 -0.190 0.000 2.060 337 F HA -0.196 4.328 4.527 -0.005 0.000 0.295 337 F C 2.400 178.145 175.800 -0.091 0.000 1.120 337 F CA 1.725 59.649 58.000 -0.126 0.000 1.205 337 F CB -0.477 38.457 39.000 -0.111 0.000 0.986 337 F HN -0.257 nan 8.300 nan 0.000 0.470 338 V N 0.754 120.722 119.914 0.090 0.000 2.231 338 V HA -0.384 3.734 4.120 -0.004 0.000 0.248 338 V C 2.731 178.744 176.094 -0.136 0.000 1.054 338 V CA 2.185 64.496 62.300 0.018 0.000 1.015 338 V CB -1.621 30.249 31.823 0.078 0.000 0.638 338 V HN 0.505 nan 8.190 nan 0.000 0.444 339 A N -0.758 121.880 122.820 -0.304 0.000 1.986 339 A HA -0.275 4.043 4.320 -0.004 0.000 0.220 339 A C 2.367 179.822 177.584 -0.215 0.000 1.171 339 A CA 2.146 53.979 52.037 -0.341 0.000 0.640 339 A CB -0.521 18.053 19.000 -0.710 0.000 0.811 339 A HN 0.539 nan 8.150 nan 0.000 0.451 340 R N -1.103 119.255 120.500 -0.236 0.000 2.127 340 R HA 0.039 4.377 4.340 -0.004 0.000 0.217 340 R C 2.057 178.289 176.300 -0.114 0.000 1.074 340 R CA 1.013 57.008 56.100 -0.175 0.000 0.991 340 R CB -0.307 29.870 30.300 -0.204 0.000 0.895 340 R HN 0.415 nan 8.270 nan 0.000 0.450 341 V N 1.778 121.598 119.914 -0.157 0.000 2.233 341 V HA -0.301 3.817 4.120 -0.004 0.000 0.247 341 V C 2.317 178.499 176.094 0.147 0.000 1.050 341 V CA 1.894 64.256 62.300 0.104 0.000 1.010 341 V CB -0.463 31.491 31.823 0.218 0.000 0.637 341 V HN 0.249 nan 8.190 nan 0.000 0.444 342 I N 1.020 121.620 120.570 0.051 0.000 2.068 342 I HA -0.353 3.815 4.170 -0.004 0.000 0.238 342 I C 2.729 178.876 176.117 0.051 0.000 1.046 342 I CA 2.554 63.872 61.300 0.030 0.000 1.306 342 I CB -0.808 37.188 38.000 -0.008 0.000 1.023 342 I HN 0.552 nan 8.210 nan 0.000 0.399 343 T N -3.154 111.419 114.554 0.031 0.000 2.951 343 T HA -0.090 4.258 4.350 -0.004 0.000 0.268 343 T C 1.714 176.468 174.700 0.089 0.000 1.073 343 T CA 1.491 63.621 62.100 0.050 0.000 1.134 343 T CB -0.643 68.239 68.868 0.022 0.000 0.884 343 T HN 0.266 nan 8.240 nan 0.000 0.479 344 T N 2.612 117.230 114.554 0.106 0.000 2.701 344 T HA 0.108 4.456 4.350 -0.004 0.000 0.263 344 T C 1.893 176.726 174.700 0.221 0.000 1.040 344 T CA 1.218 63.417 62.100 0.165 0.000 1.147 344 T CB -0.550 68.437 68.868 0.199 0.000 0.865 344 T HN 0.284 nan 8.240 nan 0.000 0.426 345 L N 0.416 121.757 121.223 0.198 0.000 1.963 345 L HA -0.161 4.177 4.340 -0.004 0.000 0.220 345 L C 2.551 179.519 176.870 0.164 0.000 1.076 345 L CA 1.357 56.287 54.840 0.149 0.000 0.772 345 L CB -0.857 41.246 42.059 0.074 0.000 0.892 345 L HN 0.186 nan 8.230 nan 0.000 0.435 346 L N -0.904 120.395 121.223 0.127 0.000 2.151 346 L HA -0.319 4.019 4.340 -0.004 0.000 0.215 346 L C 2.448 179.428 176.870 0.183 0.000 1.084 346 L CA 1.619 56.536 54.840 0.129 0.000 0.764 346 L CB -0.451 41.666 42.059 0.098 0.000 0.891 346 L HN 0.456 nan 8.230 nan 0.000 0.435 347 C N -2.864 116.561 119.300 0.208 0.000 2.541 347 C HA 0.012 4.469 4.460 -0.004 0.000 0.284 347 C C 2.424 177.580 174.990 0.277 0.000 1.341 347 C CA -0.376 58.786 59.018 0.241 0.000 1.732 347 C CB -0.689 27.172 27.740 0.202 0.000 2.126 347 C HN 0.532 nan 8.230 nan 0.000 0.505 348 F N 2.271 122.304 119.950 0.138 0.000 2.053 348 F HA -0.075 4.450 4.527 -0.004 0.000 0.292 348 F C 2.579 178.471 175.800 0.155 0.000 1.125 348 F CA 2.027 60.108 58.000 0.135 0.000 1.193 348 F CB -0.805 38.272 39.000 0.128 0.000 0.996 348 F HN 0.045 nan 8.300 nan 0.000 0.470 349 S N 0.062 115.873 115.700 0.185 0.000 2.389 349 S HA -0.276 4.192 4.470 -0.004 0.000 0.231 349 S C 1.970 176.635 174.600 0.110 0.000 1.052 349 S CA 1.713 59.964 58.200 0.085 0.000 1.053 349 S CB -1.027 62.249 63.200 0.127 0.000 0.886 349 S HN 0.593 nan 8.310 nan 0.000 0.456 350 S N 0.630 116.451 115.700 0.202 0.000 2.727 350 S HA 0.276 4.744 4.470 -0.004 0.000 0.226 350 S C 1.381 176.299 174.600 0.531 0.000 0.963 350 S CA 0.664 59.074 58.200 0.350 0.000 0.950 350 S CB -0.663 62.758 63.200 0.369 0.000 0.779 350 S HN 0.868 nan 8.310 nan 0.000 0.532 351 G N 0.529 109.479 108.800 0.251 0.000 2.168 351 G HA2 -0.170 3.787 3.960 -0.004 0.000 0.257 351 G HA3 -0.170 3.787 3.960 -0.004 0.000 0.257 351 G C 0.293 175.184 174.900 -0.015 0.000 0.997 351 G CA 0.058 45.255 45.100 0.162 0.000 0.708 351 G HN 1.369 nan 8.290 nan 0.000 0.520 352 A N 0.735 123.500 122.820 -0.091 0.000 2.445 352 A HA 0.612 4.929 4.320 -0.004 0.000 0.242 352 A C -1.204 176.238 177.584 -0.236 0.000 1.075 352 A CA -0.571 51.167 52.037 -0.498 0.000 0.777 352 A CB 0.366 19.090 19.000 -0.460 0.000 1.013 352 A HN 0.278 nan 8.150 nan 0.000 0.493 353 P HA 0.387 nan 4.420 nan 0.000 0.270 353 P C 0.069 177.372 177.300 0.005 0.000 1.242 353 P CA 0.765 63.807 63.100 -0.097 0.000 0.768 353 P CB 0.510 32.153 31.700 -0.095 0.000 0.820 354 G N 2.063 110.909 108.800 0.077 0.000 2.226 354 G HA2 0.380 4.338 3.960 -0.004 0.000 0.257 354 G HA3 0.380 4.338 3.960 -0.004 0.000 0.257 354 G C -0.220 174.839 174.900 0.264 0.000 1.732 354 G CA -0.404 44.779 45.100 0.139 0.000 0.914 354 G HN 0.553 nan 8.290 nan 0.000 0.742 355 G N -0.304 108.619 108.800 0.205 0.000 2.690 355 G HA2 0.442 4.399 3.960 -0.004 0.000 0.239 355 G HA3 0.442 4.399 3.960 -0.004 0.000 0.239 355 G C 0.885 175.871 174.900 0.143 0.000 1.233 355 G CA -0.119 45.129 45.100 0.248 0.000 0.847 355 G HN 1.086 nan 8.290 nan 0.000 0.588 356 I N 0.488 121.015 120.570 -0.072 0.000 4.082 356 I HA 0.210 4.378 4.170 -0.004 0.000 0.337 356 I C 1.379 177.427 176.117 -0.116 0.000 1.352 356 I CA -0.377 60.720 61.300 -0.338 0.000 1.097 356 I CB -0.051 37.252 38.000 -1.160 0.000 1.048 356 I HN 0.584 nan 8.210 nan 0.000 0.393 357 F N 1.773 121.687 119.950 -0.060 0.000 2.051 357 F HA -0.215 4.310 4.527 -0.004 0.000 0.296 357 F C 2.506 178.302 175.800 -0.005 0.000 1.122 357 F CA 2.276 60.283 58.000 0.012 0.000 1.201 357 F CB -0.129 38.957 39.000 0.143 0.000 0.978 357 F HN 0.130 nan 8.300 nan 0.000 0.472 358 A N 0.455 123.445 122.820 0.283 0.000 1.835 358 A HA -0.142 4.176 4.320 -0.004 0.000 0.215 358 A C -0.318 177.188 177.584 -0.131 0.000 1.199 358 A CA 1.946 54.009 52.037 0.043 0.000 0.615 358 A CB -2.215 16.705 19.000 -0.134 0.000 0.838 358 A HN 0.301 nan 8.150 nan 0.000 0.444 359 P HA -0.107 nan 4.420 nan 0.000 0.226 359 P C 1.442 178.647 177.300 -0.159 0.000 1.146 359 P CA 1.052 64.076 63.100 -0.127 0.000 0.773 359 P CB -0.130 31.526 31.700 -0.073 0.000 0.772 360 M N -1.825 117.657 119.600 -0.197 0.000 2.254 360 M HA -0.069 4.408 4.480 -0.004 0.000 0.265 360 M C 1.837 178.001 176.300 -0.226 0.000 1.066 360 M CA 1.435 56.570 55.300 -0.276 0.000 1.123 360 M CB -0.523 31.855 32.600 -0.370 0.000 1.388 360 M HN -0.027 nan 8.290 nan 0.000 0.425 361 L N -0.396 120.714 121.223 -0.188 0.000 1.994 361 L HA -0.164 4.174 4.340 -0.004 0.000 0.208 361 L C 2.795 179.633 176.870 -0.053 0.000 1.071 361 L CA 1.314 56.078 54.840 -0.127 0.000 0.745 361 L CB -0.947 41.065 42.059 -0.078 0.000 0.892 361 L HN 0.272 nan 8.230 nan 0.000 0.431 362 A N 0.075 122.864 122.820 -0.050 0.000 1.917 362 A HA -0.227 4.091 4.320 -0.004 0.000 0.219 362 A C 2.260 179.844 177.584 0.001 0.000 1.182 362 A CA 1.802 53.831 52.037 -0.014 0.000 0.633 362 A CB -0.813 18.158 19.000 -0.048 0.000 0.819 362 A HN 0.389 nan 8.150 nan 0.000 0.448 363 L N -1.145 120.052 121.223 -0.044 0.000 2.109 363 L HA -0.057 4.281 4.340 -0.004 0.000 0.207 363 L C 2.801 179.795 176.870 0.207 0.000 1.086 363 L CA 0.937 55.779 54.840 0.004 0.000 0.760 363 L CB -0.569 41.383 42.059 -0.178 0.000 0.910 363 L HN 0.493 nan 8.230 nan 0.000 0.437 364 G N -0.901 107.989 108.800 0.150 0.000 2.403 364 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.216 364 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.216 364 G C 1.515 176.576 174.900 0.269 0.000 1.154 364 G CA 1.103 46.369 45.100 0.278 0.000 0.784 364 G HN 0.284 nan 8.290 nan 0.000 0.538 365 T N 1.326 115.966 114.554 0.143 0.000 2.555 365 T HA -0.185 4.163 4.350 -0.004 0.000 0.264 365 T C 2.452 177.255 174.700 0.171 0.000 1.083 365 T CA 1.589 63.775 62.100 0.145 0.000 1.179 365 T CB -0.707 68.231 68.868 0.116 0.000 0.863 365 T HN 0.013 nan 8.240 nan 0.000 0.412 366 V N 1.814 121.824 119.914 0.159 0.000 2.324 366 V HA -0.160 3.958 4.120 -0.004 0.000 0.250 366 V C 2.458 178.618 176.094 0.110 0.000 1.060 366 V CA 1.760 64.147 62.300 0.144 0.000 1.042 366 V CB -0.818 31.098 31.823 0.156 0.000 0.650 366 V HN 0.341 nan 8.190 nan 0.000 0.450 367 L N 1.343 122.642 121.223 0.126 0.000 2.027 367 L HA 0.041 4.379 4.340 -0.004 0.000 0.206 367 L C 2.354 179.208 176.870 -0.026 0.000 1.074 367 L CA 2.535 57.295 54.840 -0.133 0.000 0.745 367 L CB -1.540 40.352 42.059 -0.277 0.000 0.898 367 L HN 0.234 nan 8.230 nan 0.000 0.433 368 G N -1.495 107.412 108.800 0.178 0.000 2.440 368 G HA2 -0.254 3.704 3.960 -0.004 0.000 0.218 368 G HA3 -0.254 3.704 3.960 -0.004 0.000 0.218 368 G C 1.396 176.461 174.900 0.275 0.000 1.154 368 G CA 1.255 46.525 45.100 0.284 0.000 0.767 368 G HN 0.462 nan 8.290 nan 0.000 0.552 369 T N 1.856 116.530 114.554 0.199 0.000 2.652 369 T HA -0.065 4.283 4.350 -0.004 0.000 0.267 369 T C 2.836 177.590 174.700 0.091 0.000 1.039 369 T CA 1.772 63.969 62.100 0.163 0.000 1.153 369 T CB -0.553 68.408 68.868 0.154 0.000 0.863 369 T HN 0.388 nan 8.240 nan 0.000 0.428 370 A N 1.012 123.860 122.820 0.046 0.000 1.917 370 A HA -0.117 4.201 4.320 -0.004 0.000 0.219 370 A C 2.045 179.609 177.584 -0.032 0.000 1.182 370 A CA 1.725 53.750 52.037 -0.020 0.000 0.633 370 A CB -1.044 17.899 19.000 -0.094 0.000 0.819 370 A HN 0.498 nan 8.150 nan 0.000 0.448 371 F N 0.976 120.832 119.950 -0.157 0.000 2.146 371 F HA 0.024 4.550 4.527 -0.002 0.000 0.298 371 F C 2.316 177.913 175.800 -0.338 0.000 1.096 371 F CA 1.443 59.314 58.000 -0.215 0.000 1.275 371 F CB -0.713 38.182 39.000 -0.174 0.000 1.008 371 F HN 0.198 nan 8.300 nan 0.000 0.480 372 G N 0.746 109.387 108.800 -0.265 0.000 2.418 372 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.217 372 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.217 372 G C 1.631 176.301 174.900 -0.383 0.000 1.158 372 G CA 1.061 45.842 45.100 -0.532 0.000 0.771 372 G HN 0.324 nan 8.290 nan 0.000 0.545 373 M N 0.260 119.743 119.600 -0.195 0.000 2.082 373 M HA -0.128 4.350 4.480 -0.004 0.000 0.258 373 M C 2.717 178.893 176.300 -0.208 0.000 1.071 373 M CA 1.356 56.571 55.300 -0.143 0.000 1.103 373 M CB -1.107 31.447 32.600 -0.077 0.000 1.307 373 M HN 0.114 nan 8.290 nan 0.000 0.409 374 V N 0.704 120.459 119.914 -0.265 0.000 2.332 374 V HA -0.263 3.855 4.120 -0.004 0.000 0.248 374 V C 2.788 178.693 176.094 -0.314 0.000 1.055 374 V CA 1.980 64.119 62.300 -0.269 0.000 1.038 374 V CB -1.422 30.235 31.823 -0.276 0.000 0.651 374 V HN 0.548 nan 8.190 nan 0.000 0.450 375 A N -0.515 121.974 122.820 -0.553 0.000 1.883 375 A HA -0.195 4.123 4.320 -0.004 0.000 0.217 375 A C 2.475 179.975 177.584 -0.140 0.000 1.186 375 A CA 2.161 53.886 52.037 -0.521 0.000 0.624 375 A CB -0.835 17.414 19.000 -1.252 0.000 0.822 375 A HN 0.303 nan 8.150 nan 0.000 0.444 376 V N 0.958 120.747 119.914 -0.208 0.000 2.255 376 V HA -0.329 3.788 4.120 -0.004 0.000 0.247 376 V C 2.714 178.774 176.094 -0.057 0.000 1.051 376 V CA 2.868 65.121 62.300 -0.078 0.000 1.018 376 V CB -0.651 31.130 31.823 -0.071 0.000 0.641 376 V HN 0.934 nan 8.190 nan 0.000 0.445 377 E N -0.503 119.638 120.200 -0.098 0.000 2.110 377 E HA -0.232 4.116 4.350 -0.004 0.000 0.193 377 E C 2.095 178.587 176.600 -0.180 0.000 0.988 377 E CA 1.849 58.179 56.400 -0.117 0.000 0.804 377 E CB -0.470 29.160 29.700 -0.117 0.000 0.745 377 E HN 0.587 nan 8.360 nan 0.000 0.458 378 L N -0.537 120.545 121.223 -0.234 0.000 2.395 378 L HA 0.071 4.409 4.340 -0.004 0.000 0.218 378 L C 0.253 176.575 176.870 -0.914 0.000 1.130 378 L CA 0.356 54.853 54.840 -0.572 0.000 0.826 378 L CB 0.252 41.903 42.059 -0.680 0.000 0.941 378 L HN 0.127 nan 8.230 nan 0.000 0.451 379 F N -1.035 118.842 119.950 -0.121 0.000 2.710 379 F HA 0.304 4.829 4.527 -0.004 0.000 0.345 379 F C -1.760 173.922 175.800 -0.197 0.000 1.362 379 F CA -1.709 56.194 58.000 -0.161 0.000 1.175 379 F CB 0.366 39.399 39.000 0.055 0.000 1.561 379 F HN -0.174 nan 8.300 nan 0.000 0.593 380 P HA -0.154 nan 4.420 nan 0.000 0.233 380 P C 1.144 178.229 177.300 -0.358 0.000 1.167 380 P CA 0.966 63.951 63.100 -0.191 0.000 0.770 380 P CB 0.293 31.893 31.700 -0.167 0.000 0.837 381 Q N -0.903 118.707 119.800 -0.316 0.000 2.435 381 Q HA -0.118 4.220 4.340 -0.004 0.000 0.207 381 Q C 1.377 177.291 176.000 -0.145 0.000 0.956 381 Q CA 1.108 56.736 55.803 -0.292 0.000 0.917 381 Q CB -1.099 27.498 28.738 -0.234 0.000 0.997 381 Q HN 0.397 nan 8.270 nan 0.000 0.497 382 Y N 0.119 120.404 120.300 -0.027 0.000 2.503 382 Y HA 0.038 4.585 4.550 -0.004 0.000 0.278 382 Y C -0.065 175.926 175.900 0.151 0.000 1.111 382 Y CA -0.034 58.129 58.100 0.105 0.000 1.270 382 Y CB 0.192 38.714 38.460 0.103 0.000 1.063 382 Y HN 0.292 nan 8.280 nan 0.000 0.548 383 H N -0.483 118.721 119.070 0.224 0.000 2.826 383 H HA -0.149 4.405 4.556 -0.004 0.000 0.306 383 H C -0.311 175.110 175.328 0.155 0.000 1.235 383 H CA 0.048 56.184 56.048 0.148 0.000 1.150 383 H CB -2.091 27.742 29.762 0.118 0.000 1.409 383 H HN 0.217 nan 8.280 nan 0.000 0.420 384 L N 0.344 121.690 121.223 0.206 0.000 2.476 384 L HA 0.183 4.521 4.340 -0.004 0.000 0.264 384 L C 1.004 177.980 176.870 0.176 0.000 1.224 384 L CA 0.518 55.487 54.840 0.215 0.000 0.821 384 L CB 0.605 42.762 42.059 0.163 0.000 1.101 384 L HN 0.436 nan 8.230 nan 0.000 0.488 385 E N 0.283 120.614 120.200 0.218 0.000 2.255 385 E HA 0.299 4.647 4.350 -0.004 0.000 0.256 385 E C 0.284 177.027 176.600 0.238 0.000 0.887 385 E CA -0.321 56.183 56.400 0.174 0.000 0.782 385 E CB 1.745 31.532 29.700 0.146 0.000 1.214 385 E HN 0.695 nan 8.360 nan 0.000 0.417 386 A N 3.708 126.622 122.820 0.157 0.000 1.954 386 A HA -0.259 4.059 4.320 -0.004 0.000 0.222 386 A C 1.911 179.671 177.584 0.293 0.000 1.199 386 A CA 2.298 54.437 52.037 0.170 0.000 0.657 386 A CB -1.051 17.995 19.000 0.076 0.000 0.823 386 A HN 0.775 nan 8.150 nan 0.000 0.463 387 G N -1.075 107.849 108.800 0.207 0.000 2.501 387 G HA2 -0.182 3.776 3.960 -0.004 0.000 0.220 387 G HA3 -0.182 3.776 3.960 -0.004 0.000 0.220 387 G C 1.556 176.557 174.900 0.169 0.000 1.114 387 G CA 1.962 47.166 45.100 0.174 0.000 0.757 387 G HN 0.785 nan 8.290 nan 0.000 0.559 388 T N -1.817 112.859 114.554 0.204 0.000 2.942 388 T HA 0.043 4.391 4.350 -0.004 0.000 0.265 388 T C 1.989 176.717 174.700 0.046 0.000 1.062 388 T CA 0.568 62.707 62.100 0.065 0.000 1.139 388 T CB -0.343 68.519 68.868 -0.010 0.000 0.883 388 T HN 0.155 nan 8.240 nan 0.000 0.468 389 F N 2.134 122.232 119.950 0.247 0.000 2.293 389 F HA 0.405 4.931 4.527 -0.002 0.000 0.297 389 F C 2.872 178.796 175.800 0.206 0.000 1.089 389 F CA 0.210 58.387 58.000 0.295 0.000 1.377 389 F CB -0.888 38.266 39.000 0.256 0.000 1.051 389 F HN 0.237 nan 8.300 nan 0.000 0.511 390 A N 0.446 123.456 122.820 0.317 0.000 1.883 390 A HA -0.167 4.151 4.320 -0.004 0.000 0.217 390 A C 2.255 179.918 177.584 0.132 0.000 1.186 390 A CA 1.717 53.881 52.037 0.212 0.000 0.624 390 A CB -1.057 18.048 19.000 0.176 0.000 0.822 390 A HN 0.386 nan 8.150 nan 0.000 0.444 391 I N -0.678 119.940 120.570 0.079 0.000 2.439 391 I HA -0.183 3.984 4.170 -0.004 0.000 0.251 391 I C 2.874 178.963 176.117 -0.047 0.000 1.139 391 I CA 0.755 62.056 61.300 0.003 0.000 1.438 391 I CB -0.143 37.840 38.000 -0.028 0.000 1.085 391 I HN 0.367 nan 8.210 nan 0.000 0.427 392 A N 0.537 123.327 122.820 -0.049 0.000 1.877 392 A HA -0.127 4.191 4.320 -0.004 0.000 0.216 392 A C 2.347 179.894 177.584 -0.063 0.000 1.186 392 A CA 1.845 53.824 52.037 -0.097 0.000 0.620 392 A CB -1.324 17.621 19.000 -0.092 0.000 0.822 392 A HN 0.441 nan 8.150 nan 0.000 0.443 393 G N -1.467 107.374 108.800 0.068 0.000 2.650 393 G HA2 -0.058 3.900 3.960 -0.004 0.000 0.214 393 G HA3 -0.058 3.900 3.960 -0.004 0.000 0.214 393 G C 1.454 176.282 174.900 -0.120 0.000 1.136 393 G CA 0.762 45.912 45.100 0.083 0.000 0.789 393 G HN 0.420 nan 8.290 nan 0.000 0.536 394 M N 0.913 120.473 119.600 -0.068 0.000 2.065 394 M HA -0.040 4.438 4.480 -0.004 0.000 0.259 394 M C 2.263 178.443 176.300 -0.201 0.000 1.069 394 M CA 1.830 57.079 55.300 -0.085 0.000 1.110 394 M CB -0.228 32.343 32.600 -0.048 0.000 1.328 394 M HN 0.249 nan 8.290 nan 0.000 0.405 395 G N -1.530 107.126 108.800 -0.239 0.000 3.314 395 G HA2 0.350 4.308 3.960 -0.004 0.000 0.238 395 G HA3 0.350 4.308 3.960 -0.004 0.000 0.238 395 G C 1.003 175.669 174.900 -0.390 0.000 1.184 395 G CA 0.536 45.467 45.100 -0.282 0.000 0.806 395 G HN 0.573 nan 8.290 nan 0.000 0.536 396 A N 0.129 122.580 122.820 -0.614 0.000 1.997 396 A HA 0.299 4.617 4.320 -0.004 0.000 0.212 396 A C 2.085 179.152 177.584 -0.862 0.000 1.178 396 A CA 0.230 51.765 52.037 -0.836 0.000 0.698 396 A CB -0.202 18.073 19.000 -1.208 0.000 0.842 396 A HN 0.317 nan 8.150 nan 0.000 0.458 397 L N 0.120 120.837 121.223 -0.843 0.000 2.042 397 L HA -0.110 4.228 4.340 -0.004 0.000 0.210 397 L C 2.216 178.888 176.870 -0.331 0.000 1.076 397 L CA 1.655 56.291 54.840 -0.341 0.000 0.749 397 L CB -0.789 41.176 42.059 -0.158 0.000 0.893 397 L HN 0.414 nan 8.230 nan 0.000 0.432 398 L N -0.395 120.591 121.223 -0.395 0.000 2.349 398 L HA -0.184 4.154 4.340 -0.004 0.000 0.220 398 L C 2.211 178.914 176.870 -0.278 0.000 1.130 398 L CA 0.921 55.519 54.840 -0.404 0.000 0.791 398 L CB -0.458 41.311 42.059 -0.484 0.000 0.918 398 L HN 0.311 nan 8.230 nan 0.000 0.444 399 A N -1.485 121.176 122.820 -0.265 0.000 2.303 399 A HA 0.447 4.765 4.320 -0.004 0.000 0.217 399 A C 1.797 179.289 177.584 -0.153 0.000 1.205 399 A CA 0.742 52.666 52.037 -0.188 0.000 0.875 399 A CB 0.107 18.988 19.000 -0.198 0.000 0.910 399 A HN 0.286 nan 8.150 nan 0.000 0.501 400 A N -1.694 121.032 122.820 -0.157 0.000 2.551 400 A HA 0.486 4.804 4.320 -0.004 0.000 0.252 400 A C 1.582 179.099 177.584 -0.111 0.000 1.199 400 A CA 1.010 52.983 52.037 -0.106 0.000 0.972 400 A CB 0.164 19.139 19.000 -0.041 0.000 1.153 400 A HN 0.227 nan 8.150 nan 0.000 0.559 401 S N -0.845 114.769 115.700 -0.143 0.000 2.691 401 S HA 0.289 4.757 4.470 -0.004 0.000 0.241 401 S C 1.421 175.924 174.600 -0.162 0.000 1.077 401 S CA 0.368 58.485 58.200 -0.140 0.000 0.900 401 S CB -0.071 63.049 63.200 -0.134 0.000 0.805 401 S HN 0.406 nan 8.310 nan 0.000 0.529 402 I N 1.134 121.584 120.570 -0.199 0.000 3.228 402 I HA 0.142 4.309 4.170 -0.004 0.000 0.279 402 I C 0.179 176.269 176.117 -0.045 0.000 1.221 402 I CA 0.268 61.469 61.300 -0.165 0.000 1.458 402 I CB 0.206 38.091 38.000 -0.193 0.000 1.105 402 I HN 0.085 nan 8.210 nan 0.000 0.445 403 R N 0.389 120.845 120.500 -0.072 0.000 3.531 403 R HA -0.162 4.176 4.340 -0.004 0.000 0.280 403 R C -0.022 176.273 176.300 -0.009 0.000 1.130 403 R CA 0.756 56.828 56.100 -0.048 0.000 0.757 403 R CB -2.649 27.628 30.300 -0.039 0.000 1.218 403 R HN 0.362 nan 8.270 nan 0.000 0.454 404 A N 0.398 123.230 122.820 0.019 0.000 3.064 404 A HA 0.467 4.784 4.320 -0.004 0.000 0.339 404 A C -0.952 176.654 177.584 0.036 0.000 1.078 404 A CA -1.110 50.969 52.037 0.070 0.000 0.869 404 A CB 0.732 19.861 19.000 0.215 0.000 1.067 404 A HN -0.031 nan 8.150 nan 0.000 0.480 405 P HA -0.202 nan 4.420 nan 0.000 0.213 405 P C 1.627 178.920 177.300 -0.012 0.000 1.170 405 P CA 0.747 63.822 63.100 -0.042 0.000 0.898 405 P CB 0.184 31.851 31.700 -0.055 0.000 0.787 406 L N -0.135 121.092 121.223 0.007 0.000 2.089 406 L HA -0.162 4.176 4.340 -0.004 0.000 0.213 406 L C 2.364 179.267 176.870 0.056 0.000 1.079 406 L CA 2.187 57.042 54.840 0.024 0.000 0.758 406 L CB -1.969 40.105 42.059 0.025 0.000 0.891 406 L HN -0.003 nan 8.230 nan 0.000 0.433 407 T N -0.981 113.636 114.554 0.105 0.000 2.737 407 T HA -0.073 4.275 4.350 -0.004 0.000 0.265 407 T C 1.670 176.442 174.700 0.120 0.000 1.038 407 T CA 1.182 63.386 62.100 0.172 0.000 1.144 407 T CB -0.657 68.424 68.868 0.356 0.000 0.866 407 T HN 0.577 nan 8.240 nan 0.000 0.434 408 G N 1.342 110.179 108.800 0.063 0.000 2.459 408 G HA2 -0.154 3.804 3.960 -0.004 0.000 0.217 408 G HA3 -0.154 3.804 3.960 -0.004 0.000 0.217 408 G C 1.522 176.392 174.900 -0.051 0.000 1.183 408 G CA 0.621 45.704 45.100 -0.028 0.000 0.776 408 G HN 0.455 nan 8.290 nan 0.000 0.552 409 I N 0.692 121.231 120.570 -0.050 0.000 2.053 409 I HA -0.243 3.925 4.170 -0.004 0.000 0.236 409 I C 2.727 178.831 176.117 -0.021 0.000 1.038 409 I CA 1.387 62.657 61.300 -0.049 0.000 1.304 409 I CB -0.272 37.703 38.000 -0.040 0.000 1.023 409 I HN 0.130 nan 8.210 nan 0.000 0.395 410 I N 0.155 120.729 120.570 0.006 0.000 2.530 410 I HA -0.283 3.884 4.170 -0.004 0.000 0.257 410 I C 2.413 178.531 176.117 0.001 0.000 1.179 410 I CA 0.879 62.188 61.300 0.014 0.000 1.440 410 I CB -0.247 37.771 38.000 0.030 0.000 1.087 410 I HN 0.337 nan 8.210 nan 0.000 0.440 411 L N 0.508 121.731 121.223 -0.001 0.000 1.988 411 L HA -0.129 4.209 4.340 -0.004 0.000 0.207 411 L C 2.431 179.252 176.870 -0.081 0.000 1.071 411 L CA 1.780 56.599 54.840 -0.035 0.000 0.744 411 L CB -0.637 41.411 42.059 -0.019 0.000 0.893 411 L HN -0.084 nan 8.230 nan 0.000 0.433 412 V N -0.045 119.818 119.914 -0.085 0.000 2.252 412 V HA -0.317 3.801 4.120 -0.004 0.000 0.249 412 V C 2.590 178.648 176.094 -0.061 0.000 1.056 412 V CA 1.993 64.240 62.300 -0.089 0.000 1.022 412 V CB -0.922 30.845 31.823 -0.094 0.000 0.641 412 V HN 0.573 nan 8.190 nan 0.000 0.445 413 L N 0.397 121.599 121.223 -0.036 0.000 2.013 413 L HA -0.224 4.114 4.340 -0.004 0.000 0.212 413 L C 2.349 179.213 176.870 -0.010 0.000 1.073 413 L CA 2.072 56.911 54.840 -0.001 0.000 0.753 413 L CB -1.092 40.990 42.059 0.038 0.000 0.890 413 L HN 0.420 nan 8.230 nan 0.000 0.432 414 E N -1.501 118.685 120.200 -0.024 0.000 2.333 414 E HA -0.199 4.148 4.350 -0.004 0.000 0.198 414 E C 2.036 178.609 176.600 -0.044 0.000 1.007 414 E CA 1.179 57.559 56.400 -0.032 0.000 0.845 414 E CB -0.028 29.652 29.700 -0.034 0.000 0.766 414 E HN 0.572 nan 8.360 nan 0.000 0.507 415 M N -1.068 118.495 119.600 -0.061 0.000 2.657 415 M HA -0.023 4.455 4.480 -0.004 0.000 0.262 415 M C 2.302 178.565 176.300 -0.061 0.000 1.213 415 M CA 1.046 56.298 55.300 -0.081 0.000 1.182 415 M CB 0.454 32.975 32.600 -0.131 0.000 1.303 415 M HN 0.077 nan 8.290 nan 0.000 0.501 416 T N -3.918 110.607 114.554 -0.047 0.000 3.014 416 T HA 0.020 4.368 4.350 -0.004 0.000 0.250 416 T C 0.618 175.308 174.700 -0.017 0.000 1.060 416 T CA 0.158 62.239 62.100 -0.031 0.000 1.040 416 T CB 0.008 68.858 68.868 -0.029 0.000 0.971 416 T HN 0.304 nan 8.240 nan 0.000 0.497 417 D N 1.976 122.370 120.400 -0.010 0.000 2.697 417 D HA -0.159 4.479 4.640 -0.004 0.000 0.235 417 D C -0.743 175.569 176.300 0.020 0.000 1.167 417 D CA 0.346 54.352 54.000 0.010 0.000 0.656 417 D CB -1.843 38.959 40.800 0.004 0.000 1.025 417 D HN 0.584 nan 8.370 nan 0.000 0.419 418 N N 0.946 119.655 118.700 0.014 0.000 2.806 418 N HA -0.001 4.737 4.740 -0.004 0.000 0.315 418 N C 0.767 176.270 175.510 -0.012 0.000 1.738 418 N CA -0.396 52.651 53.050 -0.005 0.000 0.993 418 N CB 0.151 38.614 38.487 -0.041 0.000 1.324 418 N HN 0.302 nan 8.380 nan 0.000 0.493 419 Y N 2.315 122.582 120.300 -0.055 0.000 2.315 419 Y HA -0.268 4.280 4.550 -0.003 0.000 0.288 419 Y C 1.989 177.847 175.900 -0.069 0.000 1.154 419 Y CA 1.875 59.940 58.100 -0.059 0.000 1.229 419 Y CB 0.245 38.678 38.460 -0.045 0.000 0.980 419 Y HN 0.316 nan 8.280 nan 0.000 0.540 420 Q N -0.011 119.639 119.800 -0.250 0.000 2.443 420 Q HA -0.111 4.227 4.340 -0.004 0.000 0.213 420 Q C 1.370 177.167 176.000 -0.339 0.000 0.982 420 Q CA 1.636 57.261 55.803 -0.297 0.000 0.894 420 Q CB -0.743 27.914 28.738 -0.135 0.000 0.947 420 Q HN 0.543 nan 8.270 nan 0.000 0.480 421 L N -0.098 120.931 121.223 -0.323 0.000 2.629 421 L HA 0.148 4.485 4.340 -0.004 0.000 0.230 421 L C 1.275 177.913 176.870 -0.386 0.000 1.151 421 L CA -0.309 54.326 54.840 -0.341 0.000 0.924 421 L CB -0.081 41.812 42.059 -0.276 0.000 1.137 421 L HN 0.226 nan 8.230 nan 0.000 0.457 422 I N 0.351 120.636 120.570 -0.475 0.000 2.118 422 I HA -0.325 3.843 4.170 -0.004 0.000 0.241 422 I C 2.127 178.069 176.117 -0.291 0.000 1.070 422 I CA 1.832 62.896 61.300 -0.392 0.000 1.327 422 I CB -0.023 37.635 38.000 -0.571 0.000 1.034 422 I HN 0.133 nan 8.210 nan 0.000 0.405 423 L N 0.865 121.909 121.223 -0.299 0.000 1.956 423 L HA -0.162 4.176 4.340 -0.004 0.000 0.216 423 L C -0.287 176.397 176.870 -0.309 0.000 1.073 423 L CA 2.637 57.334 54.840 -0.239 0.000 0.762 423 L CB -2.431 39.513 42.059 -0.192 0.000 0.889 423 L HN 0.176 nan 8.230 nan 0.000 0.433 424 P HA -0.185 nan 4.420 nan 0.000 0.217 424 P C 2.057 179.033 177.300 -0.539 0.000 1.148 424 P CA 1.563 64.151 63.100 -0.854 0.000 0.828 424 P CB -0.074 30.555 31.700 -1.785 0.000 0.783 425 M N -1.922 117.435 119.600 -0.406 0.000 2.099 425 M HA -0.110 4.368 4.480 -0.004 0.000 0.262 425 M C 2.114 178.304 176.300 -0.183 0.000 1.067 425 M CA 1.745 56.886 55.300 -0.264 0.000 1.124 425 M CB -0.750 31.721 32.600 -0.215 0.000 1.353 425 M HN -0.090 nan 8.290 nan 0.000 0.410 426 I N 0.529 121.004 120.570 -0.159 0.000 2.090 426 I HA -0.323 3.845 4.170 -0.004 0.000 0.236 426 I C 2.286 178.347 176.117 -0.094 0.000 1.064 426 I CA 1.526 62.763 61.300 -0.106 0.000 1.324 426 I CB -0.459 37.492 38.000 -0.081 0.000 1.044 426 I HN 0.225 nan 8.210 nan 0.000 0.399 427 I N 0.400 120.913 120.570 -0.095 0.000 2.194 427 I HA -0.318 3.850 4.170 -0.004 0.000 0.246 427 I C 2.549 178.650 176.117 -0.027 0.000 1.093 427 I CA 1.695 62.968 61.300 -0.045 0.000 1.355 427 I CB -0.799 37.188 38.000 -0.021 0.000 1.046 427 I HN 0.307 nan 8.210 nan 0.000 0.413 428 T N 0.477 115.003 114.554 -0.046 0.000 2.708 428 T HA -0.111 4.237 4.350 -0.004 0.000 0.266 428 T C 1.965 176.625 174.700 -0.066 0.000 1.037 428 T CA 1.525 63.615 62.100 -0.018 0.000 1.146 428 T CB -0.785 68.073 68.868 -0.017 0.000 0.865 428 T HN 0.591 nan 8.240 nan 0.000 0.435 429 G N 1.240 109.974 108.800 -0.110 0.000 2.446 429 G HA2 -0.167 3.791 3.960 -0.004 0.000 0.217 429 G HA3 -0.167 3.791 3.960 -0.004 0.000 0.217 429 G C 1.554 176.395 174.900 -0.099 0.000 1.168 429 G CA 0.823 45.843 45.100 -0.133 0.000 0.771 429 G HN 0.417 nan 8.290 nan 0.000 0.551 430 L N 1.088 122.268 121.223 -0.072 0.000 1.994 430 L HA 0.121 4.459 4.340 -0.004 0.000 0.208 430 L C 2.953 179.788 176.870 -0.058 0.000 1.071 430 L CA 2.185 56.989 54.840 -0.059 0.000 0.745 430 L CB -0.757 41.280 42.059 -0.037 0.000 0.892 430 L HN 0.209 nan 8.230 nan 0.000 0.431 431 G N -1.247 107.535 108.800 -0.031 0.000 2.485 431 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.221 431 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.221 431 G C 1.534 176.417 174.900 -0.029 0.000 1.115 431 G CA 0.839 45.932 45.100 -0.013 0.000 0.751 431 G HN 0.615 nan 8.290 nan 0.000 0.567 432 A N 0.401 123.198 122.820 -0.039 0.000 1.898 432 A HA 0.068 4.386 4.320 -0.004 0.000 0.214 432 A C 2.558 180.091 177.584 -0.085 0.000 1.183 432 A CA 2.218 54.237 52.037 -0.031 0.000 0.622 432 A CB -0.743 18.218 19.000 -0.064 0.000 0.824 432 A HN 0.293 nan 8.150 nan 0.000 0.444 433 T N 0.512 114.996 114.554 -0.115 0.000 2.867 433 T HA -0.042 4.305 4.350 -0.004 0.000 0.268 433 T C 1.778 176.336 174.700 -0.237 0.000 1.057 433 T CA 1.311 63.325 62.100 -0.145 0.000 1.136 433 T CB -0.331 68.465 68.868 -0.120 0.000 0.874 433 T HN 0.311 nan 8.240 nan 0.000 0.466 434 L N 0.115 121.174 121.223 -0.273 0.000 2.072 434 L HA 0.066 4.404 4.340 -0.004 0.000 0.205 434 L C 2.455 178.897 176.870 -0.713 0.000 1.079 434 L CA 0.782 55.293 54.840 -0.549 0.000 0.752 434 L CB -0.347 41.516 42.059 -0.326 0.000 0.906 434 L HN 0.224 nan 8.230 nan 0.000 0.436 435 L N -0.599 120.450 121.223 -0.290 0.000 2.341 435 L HA -0.003 4.334 4.340 -0.004 0.000 0.214 435 L C 2.596 179.398 176.870 -0.115 0.000 1.115 435 L CA 1.069 55.830 54.840 -0.132 0.000 0.820 435 L CB -0.802 41.260 42.059 0.006 0.000 0.944 435 L HN 0.202 nan 8.230 nan 0.000 0.452 436 A N -1.044 121.691 122.820 -0.142 0.000 2.119 436 A HA -0.186 4.132 4.320 -0.004 0.000 0.217 436 A C 2.186 179.698 177.584 -0.119 0.000 1.153 436 A CA 0.961 52.936 52.037 -0.104 0.000 0.692 436 A CB -0.174 18.768 19.000 -0.097 0.000 0.799 436 A HN 0.452 nan 8.150 nan 0.000 0.458 437 Q N -1.245 118.419 119.800 -0.227 0.000 2.107 437 Q HA -0.018 4.319 4.340 -0.004 0.000 0.195 437 Q C 0.960 176.948 176.000 -0.021 0.000 0.964 437 Q CA 0.893 56.586 55.803 -0.184 0.000 0.833 437 Q CB -0.050 28.492 28.738 -0.325 0.000 0.910 437 Q HN 0.606 nan 8.270 nan 0.000 0.465 438 F N 0.587 120.545 119.950 0.012 0.000 2.771 438 F HA 0.007 4.531 4.527 -0.004 0.000 0.299 438 F C 1.789 177.597 175.800 0.013 0.000 1.177 438 F CA 1.084 59.093 58.000 0.014 0.000 1.450 438 F CB -0.502 38.508 39.000 0.017 0.000 1.114 438 F HN 0.131 nan 8.300 nan 0.000 0.587 439 T N -3.966 110.670 114.554 0.136 0.000 3.182 439 T HA 0.459 4.807 4.350 -0.004 0.000 0.277 439 T C 1.325 176.053 174.700 0.048 0.000 1.013 439 T CA 0.149 62.300 62.100 0.085 0.000 0.900 439 T CB 0.005 68.908 68.868 0.059 0.000 1.098 439 T HN 0.370 nan 8.240 nan 0.000 0.543 440 G N 0.599 109.431 108.800 0.052 0.000 2.246 440 G HA2 -0.008 3.950 3.960 -0.004 0.000 0.273 440 G HA3 -0.008 3.950 3.960 -0.004 0.000 0.273 440 G C 0.409 175.314 174.900 0.008 0.000 1.055 440 G CA -0.215 44.907 45.100 0.036 0.000 0.851 440 G HN 1.043 nan 8.290 nan 0.000 0.500 441 G N -0.816 107.976 108.800 -0.014 0.000 2.547 441 G HA2 0.702 4.660 3.960 -0.004 0.000 0.291 441 G HA3 0.702 4.660 3.960 -0.004 0.000 0.291 441 G C -0.148 174.739 174.900 -0.021 0.000 1.211 441 G CA -0.611 44.468 45.100 -0.034 0.000 0.950 441 G HN 0.549 nan 8.290 nan 0.000 0.504 442 K N 0.522 120.909 120.400 -0.022 0.000 2.501 442 K HA 0.309 4.627 4.320 -0.004 0.000 0.252 442 K C -2.937 173.663 176.600 -0.001 0.000 0.934 442 K CA -1.885 54.403 56.287 0.002 0.000 0.797 442 K CB 2.785 35.296 32.500 0.019 0.000 1.270 442 K HN 0.097 nan 8.250 nan 0.000 0.431 443 P HA -0.137 nan 4.420 nan 0.000 0.242 443 P C 1.029 178.349 177.300 0.033 0.000 1.116 443 P CA 0.121 63.234 63.100 0.021 0.000 0.954 443 P CB 0.103 31.835 31.700 0.054 0.000 0.908 444 L N 3.372 124.574 121.223 -0.035 0.000 2.197 444 L HA -0.239 4.099 4.340 -0.004 0.000 0.215 444 L C 1.147 178.045 176.870 0.046 0.000 1.095 444 L CA 2.115 56.930 54.840 -0.042 0.000 0.764 444 L CB -0.593 41.380 42.059 -0.144 0.000 0.897 444 L HN 0.389 nan 8.230 nan 0.000 0.436 445 Y N -0.509 119.857 120.300 0.109 0.000 2.286 445 Y HA -0.177 4.371 4.550 -0.003 0.000 0.293 445 Y C 2.818 178.777 175.900 0.099 0.000 1.124 445 Y CA 0.920 59.098 58.100 0.130 0.000 1.178 445 Y CB 0.034 38.582 38.460 0.147 0.000 1.010 445 Y HN 0.218 nan 8.280 nan 0.000 0.536 446 S N 0.255 116.093 115.700 0.229 0.000 2.348 446 S HA -0.248 4.219 4.470 -0.004 0.000 0.221 446 S C 2.272 176.955 174.600 0.138 0.000 1.033 446 S CA 1.125 59.423 58.200 0.164 0.000 1.010 446 S CB -0.667 62.620 63.200 0.146 0.000 0.891 446 S HN 0.514 nan 8.310 nan 0.000 0.442 447 A N 1.020 123.910 122.820 0.117 0.000 2.024 447 A HA -0.047 4.271 4.320 -0.004 0.000 0.220 447 A C 2.030 179.672 177.584 0.097 0.000 1.164 447 A CA 1.144 53.234 52.037 0.088 0.000 0.643 447 A CB -0.706 18.331 19.000 0.062 0.000 0.806 447 A HN 0.512 nan 8.150 nan 0.000 0.451 448 I N -1.285 119.369 120.570 0.139 0.000 2.500 448 I HA -0.155 4.013 4.170 -0.004 0.000 0.252 448 I C 2.323 178.507 176.117 0.113 0.000 1.142 448 I CA 0.705 62.090 61.300 0.141 0.000 1.451 448 I CB -0.113 38.019 38.000 0.221 0.000 1.093 448 I HN 0.368 nan 8.210 nan 0.000 0.430 449 L N 1.068 122.363 121.223 0.120 0.000 2.072 449 L HA -0.067 4.271 4.340 -0.004 0.000 0.205 449 L C 2.569 179.479 176.870 0.067 0.000 1.079 449 L CA 1.972 56.865 54.840 0.088 0.000 0.752 449 L CB -0.674 41.440 42.059 0.092 0.000 0.906 449 L HN 0.162 nan 8.230 nan 0.000 0.436 450 A N -0.402 122.460 122.820 0.069 0.000 1.902 450 A HA -0.198 4.120 4.320 -0.004 0.000 0.217 450 A C 2.374 179.979 177.584 0.035 0.000 1.181 450 A CA 1.587 53.652 52.037 0.047 0.000 0.623 450 A CB -0.523 18.505 19.000 0.047 0.000 0.818 450 A HN 0.443 nan 8.150 nan 0.000 0.443 451 R N -0.735 119.789 120.500 0.040 0.000 2.073 451 R HA -0.090 4.248 4.340 -0.004 0.000 0.234 451 R C 2.214 178.527 176.300 0.022 0.000 1.134 451 R CA 1.905 58.020 56.100 0.026 0.000 0.952 451 R CB -1.218 29.099 30.300 0.027 0.000 0.850 451 R HN 0.582 nan 8.270 nan 0.000 0.433 452 T N 1.749 116.323 114.554 0.033 0.000 2.777 452 T HA -0.080 4.267 4.350 -0.004 0.000 0.266 452 T C 1.849 176.564 174.700 0.025 0.000 1.040 452 T CA 0.719 62.836 62.100 0.029 0.000 1.141 452 T CB -0.136 68.754 68.868 0.037 0.000 0.868 452 T HN -0.012 nan 8.240 nan 0.000 0.444 453 L N 1.042 122.281 121.223 0.027 0.000 2.109 453 L HA 0.229 4.567 4.340 -0.004 0.000 0.207 453 L C 2.676 179.555 176.870 0.016 0.000 1.086 453 L CA 1.265 56.119 54.840 0.023 0.000 0.760 453 L CB -1.104 40.970 42.059 0.025 0.000 0.910 453 L HN 0.243 nan 8.230 nan 0.000 0.437 454 A N -1.194 121.634 122.820 0.013 0.000 1.897 454 A HA -0.183 4.135 4.320 -0.004 0.000 0.215 454 A C 2.296 179.884 177.584 0.007 0.000 1.181 454 A CA 1.301 53.343 52.037 0.008 0.000 0.620 454 A CB -0.382 18.622 19.000 0.006 0.000 0.821 454 A HN 0.328 nan 8.150 nan 0.000 0.443 455 K N -0.739 119.665 120.400 0.007 0.000 2.281 455 K HA -0.186 4.132 4.320 -0.004 0.000 0.203 455 K C 2.207 178.814 176.600 0.011 0.000 1.046 455 K CA 1.499 57.788 56.287 0.004 0.000 0.938 455 K CB -0.064 32.435 32.500 -0.002 0.000 0.737 455 K HN 0.672 nan 8.250 nan 0.000 0.458 456 Q N 0.547 120.355 119.800 0.014 0.000 2.163 456 Q HA -0.096 4.242 4.340 -0.004 0.000 0.198 456 Q C 1.698 177.707 176.000 0.014 0.000 0.954 456 Q CA 0.974 56.787 55.803 0.016 0.000 0.851 456 Q CB 0.322 29.071 28.738 0.019 0.000 0.928 456 Q HN 0.261 nan 8.270 nan 0.000 0.459 457 E N -0.285 119.922 120.200 0.011 0.000 2.028 457 E HA -0.115 4.233 4.350 -0.004 0.000 0.191 457 E C 1.221 177.826 176.600 0.008 0.000 0.988 457 E CA 0.918 57.324 56.400 0.009 0.000 0.799 457 E CB -0.007 29.697 29.700 0.006 0.000 0.755 457 E HN 0.349 nan 8.360 nan 0.000 0.447 458 A N 1.527 124.351 122.820 0.007 0.000 2.265 458 A HA -0.069 4.249 4.320 -0.004 0.000 0.213 458 A C 0.381 177.971 177.584 0.009 0.000 1.255 458 A CA 0.280 52.321 52.037 0.007 0.000 0.862 458 A CB -0.475 18.527 19.000 0.004 0.000 0.852 458 A HN 0.268 nan 8.150 nan 0.000 0.484 459 E N -0.296 119.911 120.200 0.012 0.000 3.406 459 E HA 0.475 4.822 4.350 -0.004 0.000 0.210 459 E C -0.344 176.264 176.600 0.015 0.000 1.167 459 E CA -0.491 55.918 56.400 0.015 0.000 1.132 459 E CB 0.155 29.867 29.700 0.020 0.000 1.309 459 E HN 0.458 nan 8.360 nan 0.000 0.424 460 Q N 0.000 119.807 119.800 0.012 0.000 2.315 460 Q HA 0.000 4.338 4.340 -0.004 0.000 0.214 460 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 460 Q CB 0.000 28.744 28.738 0.011 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481