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 1otu_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 RQGPTVQIGG 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 0.000 176.292 176.300 -0.013 0.000 0.893 17 R CA 0.000 56.094 56.100 -0.011 0.000 0.921 17 R CB 0.000 30.293 30.300 -0.011 0.000 0.687 18 R N 1.683 122.176 120.500 -0.011 0.000 2.332 18 R HA -0.105 4.233 4.340 -0.004 0.000 0.239 18 R C 1.761 178.054 176.300 -0.011 0.000 1.160 18 R CA 1.817 57.910 56.100 -0.011 0.000 1.020 18 R CB -0.176 30.119 30.300 -0.008 0.000 0.859 18 R HN 0.184 nan 8.270 nan 0.000 0.478 19 R N 0.414 120.907 120.500 -0.011 0.000 2.092 19 R HA -0.159 4.178 4.340 -0.004 0.000 0.231 19 R C 2.342 178.635 176.300 -0.012 0.000 1.119 19 R CA 1.840 57.934 56.100 -0.010 0.000 0.970 19 R CB -0.133 30.161 30.300 -0.009 0.000 0.864 19 R HN 0.369 nan 8.270 nan 0.000 0.440 20 Q N 0.423 120.214 119.800 -0.016 0.000 1.994 20 Q HA -0.162 4.175 4.340 -0.004 0.000 0.198 20 Q C 2.192 178.179 176.000 -0.022 0.000 0.976 20 Q CA 1.521 57.313 55.803 -0.020 0.000 0.828 20 Q CB -0.226 28.498 28.738 -0.024 0.000 0.894 20 Q HN 0.469 nan 8.270 nan 0.000 0.432 21 L N 0.870 122.079 121.223 -0.025 0.000 1.991 21 L HA -0.278 4.060 4.340 -0.004 0.000 0.221 21 L C 2.369 179.227 176.870 -0.019 0.000 1.079 21 L CA 1.828 56.653 54.840 -0.026 0.000 0.778 21 L CB -0.428 41.617 42.059 -0.023 0.000 0.893 21 L HN 0.424 nan 8.230 nan 0.000 0.437 22 I N -0.681 119.880 120.570 -0.015 0.000 2.381 22 I HA -0.360 3.808 4.170 -0.004 0.000 0.255 22 I C 2.600 178.711 176.117 -0.011 0.000 1.140 22 I CA 1.363 62.656 61.300 -0.011 0.000 1.404 22 I CB -0.396 37.599 38.000 -0.009 0.000 1.075 22 I HN 0.342 nan 8.210 nan 0.000 0.433 23 R N -0.153 120.340 120.500 -0.012 0.000 2.156 23 R HA -0.008 4.329 4.340 -0.004 0.000 0.207 23 R C 2.252 178.545 176.300 -0.012 0.000 1.040 23 R CA 0.453 56.546 56.100 -0.011 0.000 1.013 23 R CB 0.045 30.339 30.300 -0.011 0.000 0.931 23 R HN 0.435 nan 8.270 nan 0.000 0.465 24 Q N 0.427 120.216 119.800 -0.017 0.000 2.123 24 Q HA -0.078 4.260 4.340 -0.004 0.000 0.199 24 Q C 2.122 178.115 176.000 -0.012 0.000 0.966 24 Q CA 1.036 56.828 55.803 -0.019 0.000 0.845 24 Q CB 0.095 28.812 28.738 -0.035 0.000 0.907 24 Q HN 0.313 nan 8.270 nan 0.000 0.439 25 L N 0.450 121.666 121.223 -0.011 0.000 1.970 25 L HA -0.219 4.119 4.340 -0.004 0.000 0.212 25 L C 2.155 179.023 176.870 -0.004 0.000 1.071 25 L CA 1.186 56.022 54.840 -0.006 0.000 0.751 25 L CB -0.559 41.495 42.059 -0.007 0.000 0.889 25 L HN 0.282 nan 8.230 nan 0.000 0.432 26 L N -0.424 120.795 121.223 -0.005 0.000 2.651 26 L HA -0.149 4.189 4.340 -0.004 0.000 0.236 26 L C 1.086 177.955 176.870 -0.003 0.000 1.173 26 L CA 0.414 55.251 54.840 -0.004 0.000 0.843 26 L CB -0.382 41.673 42.059 -0.005 0.000 0.964 26 L HN 0.224 nan 8.230 nan 0.000 0.454 27 E N -0.145 120.054 120.200 -0.001 0.000 2.869 27 E HA 0.185 4.533 4.350 -0.004 0.000 0.207 27 E C 0.154 176.759 176.600 0.008 0.000 0.986 27 E CA -0.133 56.268 56.400 0.002 0.000 1.131 27 E CB 0.341 30.041 29.700 0.000 0.000 1.098 27 E HN 0.159 nan 8.360 nan 0.000 0.459 28 R N 0.217 120.721 120.500 0.007 0.000 2.546 28 R HA 0.149 4.486 4.340 -0.004 0.000 0.266 28 R C -0.105 176.202 176.300 0.012 0.000 1.086 28 R CA -0.229 55.879 56.100 0.014 0.000 1.160 28 R CB 0.489 30.796 30.300 0.012 0.000 1.138 28 R HN 0.015 nan 8.270 nan 0.000 0.567 29 D N 0.894 121.304 120.400 0.017 0.000 2.733 29 D HA -0.184 4.454 4.640 -0.004 0.000 0.232 29 D C -1.131 175.175 176.300 0.009 0.000 1.161 29 D CA 1.298 55.303 54.000 0.009 0.000 0.653 29 D CB -0.484 40.312 40.800 -0.006 0.000 1.052 29 D HN 0.324 nan 8.370 nan 0.000 0.424 30 K N 0.616 121.026 120.400 0.016 0.000 2.354 30 K HA 0.328 4.645 4.320 -0.004 0.000 0.257 30 K C -0.519 176.094 176.600 0.022 0.000 1.062 30 K CA -0.412 55.884 56.287 0.014 0.000 0.971 30 K CB 1.203 33.710 32.500 0.012 0.000 1.305 30 K HN -0.006 nan 8.250 nan 0.000 0.449 31 T N 3.425 117.992 114.554 0.022 0.000 2.770 31 T HA 0.270 4.617 4.350 -0.004 0.000 0.283 31 T C -2.421 172.296 174.700 0.028 0.000 0.988 31 T CA -1.903 60.214 62.100 0.029 0.000 0.957 31 T CB 1.180 70.067 68.868 0.032 0.000 0.930 31 T HN 0.228 nan 8.240 nan 0.000 0.443 32 P HA 0.007 nan 4.420 nan 0.000 0.259 32 P C 1.072 178.393 177.300 0.035 0.000 1.163 32 P CA -0.131 62.984 63.100 0.026 0.000 0.760 32 P CB 0.453 32.169 31.700 0.026 0.000 0.762 33 L N 3.841 125.080 121.223 0.026 0.000 2.129 33 L HA -0.286 4.052 4.340 -0.004 0.000 0.212 33 L C 1.976 178.884 176.870 0.063 0.000 1.087 33 L CA 2.113 56.975 54.840 0.037 0.000 0.757 33 L CB -0.505 41.557 42.059 0.004 0.000 0.896 33 L HN 0.444 nan 8.230 nan 0.000 0.434 34 A N 0.086 122.928 122.820 0.038 0.000 1.902 34 A HA -0.202 4.115 4.320 -0.004 0.000 0.217 34 A C 2.140 179.791 177.584 0.112 0.000 1.181 34 A CA 1.987 54.057 52.037 0.054 0.000 0.623 34 A CB -0.714 18.298 19.000 0.020 0.000 0.818 34 A HN 0.530 nan 8.150 nan 0.000 0.443 35 I N -0.261 120.360 120.570 0.086 0.000 2.110 35 I HA -0.256 3.911 4.170 -0.004 0.000 0.236 35 I C 2.420 178.596 176.117 0.098 0.000 1.068 35 I CA 1.252 62.603 61.300 0.086 0.000 1.333 35 I CB -0.418 37.620 38.000 0.063 0.000 1.054 35 I HN 0.312 nan 8.210 nan 0.000 0.402 36 L N -0.153 121.127 121.223 0.094 0.000 2.010 36 L HA -0.316 4.021 4.340 -0.004 0.000 0.219 36 L C 2.649 179.585 176.870 0.109 0.000 1.077 36 L CA 1.749 56.644 54.840 0.091 0.000 0.773 36 L CB -0.954 41.157 42.059 0.087 0.000 0.892 36 L HN 0.235 nan 8.230 nan 0.000 0.436 37 F N 0.032 119.986 119.950 0.006 0.000 2.161 37 F HA -0.260 4.264 4.527 -0.004 0.000 0.300 37 F C 2.533 178.338 175.800 0.008 0.000 1.089 37 F CA 1.501 59.500 58.000 -0.002 0.000 1.282 37 F CB -0.045 38.940 39.000 -0.024 0.000 1.010 37 F HN -0.017 nan 8.300 nan 0.000 0.485 38 M N 0.079 119.732 119.600 0.089 0.000 2.156 38 M HA -0.036 4.442 4.480 -0.004 0.000 0.264 38 M C 2.590 178.868 176.300 -0.037 0.000 1.067 38 M CA 1.448 56.766 55.300 0.029 0.000 1.131 38 M CB -1.937 30.745 32.600 0.136 0.000 1.368 38 M HN 0.265 nan 8.290 nan 0.000 0.416 39 A N 0.411 123.226 122.820 -0.008 0.000 2.032 39 A HA -0.063 4.254 4.320 -0.004 0.000 0.221 39 A C 2.415 179.964 177.584 -0.057 0.000 1.165 39 A CA 2.110 54.139 52.037 -0.013 0.000 0.645 39 A CB -0.791 18.220 19.000 0.018 0.000 0.807 39 A HN 0.488 nan 8.150 nan 0.000 0.453 40 A N -0.529 122.219 122.820 -0.121 0.000 1.854 40 A HA 0.049 4.366 4.320 -0.004 0.000 0.214 40 A C 2.200 179.668 177.584 -0.192 0.000 1.192 40 A CA 1.642 53.578 52.037 -0.169 0.000 0.611 40 A CB -0.995 17.844 19.000 -0.269 0.000 0.832 40 A HN 0.458 nan 8.150 nan 0.000 0.442 41 V N -0.101 119.651 119.914 -0.270 0.000 2.332 41 V HA -0.257 3.860 4.120 -0.004 0.000 0.248 41 V C 2.527 178.563 176.094 -0.098 0.000 1.055 41 V CA 2.031 64.222 62.300 -0.182 0.000 1.038 41 V CB -1.152 30.601 31.823 -0.117 0.000 0.651 41 V HN 0.348 nan 8.190 nan 0.000 0.450 42 V N 1.114 120.979 119.914 -0.080 0.000 2.216 42 V HA -0.198 3.920 4.120 -0.004 0.000 0.243 42 V C 2.766 178.819 176.094 -0.068 0.000 1.044 42 V CA 2.414 64.671 62.300 -0.071 0.000 0.995 42 V CB -1.698 30.093 31.823 -0.054 0.000 0.633 42 V HN 0.577 nan 8.190 nan 0.000 0.446 43 G N -0.486 108.280 108.800 -0.056 0.000 2.556 43 G HA2 -0.350 3.608 3.960 -0.004 0.000 0.220 43 G HA3 -0.350 3.608 3.960 -0.004 0.000 0.220 43 G C 1.626 176.502 174.900 -0.039 0.000 1.156 43 G CA 2.036 47.111 45.100 -0.042 0.000 0.766 43 G HN 0.487 nan 8.290 nan 0.000 0.583 44 T N 1.250 115.777 114.554 -0.046 0.000 2.555 44 T HA -0.151 4.196 4.350 -0.004 0.000 0.264 44 T C 2.346 177.022 174.700 -0.039 0.000 1.083 44 T CA 1.404 63.486 62.100 -0.030 0.000 1.179 44 T CB -0.463 68.380 68.868 -0.042 0.000 0.863 44 T HN 0.062 nan 8.240 nan 0.000 0.412 45 L N 0.758 121.944 121.223 -0.062 0.000 2.010 45 L HA -0.171 4.167 4.340 -0.004 0.000 0.219 45 L C 2.698 179.509 176.870 -0.099 0.000 1.077 45 L CA 1.429 56.218 54.840 -0.086 0.000 0.773 45 L CB -1.299 40.694 42.059 -0.109 0.000 0.892 45 L HN 0.116 nan 8.230 nan 0.000 0.436 46 V N -0.199 119.660 119.914 -0.093 0.000 2.250 46 V HA -0.368 3.750 4.120 -0.004 0.000 0.253 46 V C 2.489 178.539 176.094 -0.073 0.000 1.065 46 V CA 2.193 64.436 62.300 -0.095 0.000 1.039 46 V CB -1.450 30.328 31.823 -0.075 0.000 0.647 46 V HN 0.654 nan 8.190 nan 0.000 0.446 47 G N -0.004 108.775 108.800 -0.034 0.000 2.639 47 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.216 47 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.216 47 G C 1.376 176.257 174.900 -0.031 0.000 1.267 47 G CA 1.206 46.311 45.100 0.010 0.000 0.801 47 G HN 0.343 nan 8.290 nan 0.000 0.592 48 L N 1.420 122.608 121.223 -0.059 0.000 2.085 48 L HA -0.258 4.080 4.340 -0.004 0.000 0.218 48 L C 3.287 180.052 176.870 -0.174 0.000 1.080 48 L CA 2.263 57.014 54.840 -0.147 0.000 0.776 48 L CB -1.783 40.209 42.059 -0.112 0.000 0.891 48 L HN 0.388 nan 8.230 nan 0.000 0.437 49 A N -0.197 122.528 122.820 -0.158 0.000 1.832 49 A HA -0.086 4.231 4.320 -0.004 0.000 0.214 49 A C 2.550 180.086 177.584 -0.081 0.000 1.200 49 A CA 2.103 54.019 52.037 -0.201 0.000 0.610 49 A CB -0.998 17.846 19.000 -0.260 0.000 0.842 49 A HN 0.395 nan 8.150 nan 0.000 0.444 50 A N -0.687 122.103 122.820 -0.050 0.000 2.009 50 A HA -0.120 4.197 4.320 -0.004 0.000 0.222 50 A C 2.226 179.888 177.584 0.130 0.000 1.175 50 A CA 2.267 54.331 52.037 0.045 0.000 0.651 50 A CB -1.095 17.919 19.000 0.023 0.000 0.815 50 A HN 0.443 nan 8.150 nan 0.000 0.459 51 V N -0.528 119.412 119.914 0.043 0.000 2.221 51 V HA -0.194 3.923 4.120 -0.004 0.000 0.242 51 V C 3.052 179.141 176.094 -0.009 0.000 1.041 51 V CA 1.956 64.247 62.300 -0.016 0.000 0.995 51 V CB -1.458 30.204 31.823 -0.269 0.000 0.635 51 V HN 0.634 nan 8.190 nan 0.000 0.448 52 A N -0.493 122.296 122.820 -0.053 0.000 1.958 52 A HA -0.303 4.014 4.320 -0.004 0.000 0.221 52 A C 2.093 179.799 177.584 0.203 0.000 1.178 52 A CA 2.469 54.523 52.037 0.028 0.000 0.642 52 A CB -0.795 18.213 19.000 0.014 0.000 0.816 52 A HN 0.541 nan 8.150 nan 0.000 0.453 53 F N 1.034 121.078 119.950 0.156 0.000 2.014 53 F HA -0.157 4.367 4.527 -0.004 0.000 0.295 53 F C 1.989 177.804 175.800 0.025 0.000 1.145 53 F CA 2.161 60.267 58.000 0.178 0.000 1.178 53 F CB -0.804 38.318 39.000 0.204 0.000 0.972 53 F HN 0.350 nan 8.300 nan 0.000 0.476 54 D N 0.226 120.682 120.400 0.094 0.000 2.170 54 D HA -0.225 4.412 4.640 -0.004 0.000 0.193 54 D C 2.034 178.299 176.300 -0.059 0.000 1.004 54 D CA 1.636 55.615 54.000 -0.033 0.000 0.860 54 D CB -0.098 40.764 40.800 0.103 0.000 0.931 54 D HN 0.136 nan 8.370 nan 0.000 0.448 55 K N -0.126 120.264 120.400 -0.018 0.000 1.985 55 K HA -0.025 4.293 4.320 -0.004 0.000 0.210 55 K C 2.314 178.903 176.600 -0.017 0.000 1.047 55 K CA 1.316 57.598 56.287 -0.008 0.000 0.932 55 K CB -1.216 31.273 32.500 -0.017 0.000 0.716 55 K HN 0.300 nan 8.250 nan 0.000 0.439 56 G N 1.551 110.301 108.800 -0.083 0.000 2.476 56 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.218 56 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.218 56 G C 1.779 176.606 174.900 -0.122 0.000 1.164 56 G CA 1.255 46.265 45.100 -0.150 0.000 0.768 56 G HN 0.118 nan 8.290 nan 0.000 0.560 57 V N 1.751 121.507 119.914 -0.264 0.000 2.220 57 V HA -0.249 3.868 4.120 -0.004 0.000 0.250 57 V C 3.370 179.419 176.094 -0.075 0.000 1.056 57 V CA 2.514 64.656 62.300 -0.262 0.000 1.016 57 V CB -1.224 30.345 31.823 -0.422 0.000 0.639 57 V HN 0.537 nan 8.190 nan 0.000 0.446 58 A N -1.064 121.733 122.820 -0.037 0.000 1.869 58 A HA -0.353 3.965 4.320 -0.004 0.000 0.218 58 A C 1.987 179.623 177.584 0.086 0.000 1.203 58 A CA 2.486 54.534 52.037 0.019 0.000 0.638 58 A CB -1.366 17.650 19.000 0.026 0.000 0.831 58 A HN 0.763 nan 8.150 nan 0.000 0.450 59 W N 0.468 121.717 121.300 -0.085 0.000 2.276 59 W HA -0.295 4.362 4.660 -0.004 0.000 0.307 59 W C 1.791 178.263 176.519 -0.078 0.000 1.240 59 W CA 2.362 59.664 57.345 -0.072 0.000 1.249 59 W CB -0.192 29.226 29.460 -0.070 0.000 1.140 59 W HN 0.334 nan 8.180 nan 0.000 0.519 60 L N -0.525 120.928 121.223 0.384 0.000 2.049 60 L HA -0.170 4.168 4.340 -0.004 0.000 0.203 60 L C 2.542 179.415 176.870 0.006 0.000 1.074 60 L CA 1.332 56.314 54.840 0.236 0.000 0.749 60 L CB -1.306 40.858 42.059 0.175 0.000 0.907 60 L HN -0.065 nan 8.230 nan 0.000 0.439 61 Q N -0.027 119.769 119.800 -0.007 0.000 2.376 61 Q HA -0.228 4.110 4.340 -0.004 0.000 0.211 61 Q C 1.772 177.724 176.000 -0.080 0.000 0.986 61 Q CA 1.393 57.171 55.803 -0.040 0.000 0.886 61 Q CB -0.337 28.384 28.738 -0.030 0.000 0.927 61 Q HN 0.527 nan 8.270 nan 0.000 0.457 62 N N -0.181 118.447 118.700 -0.120 0.000 2.178 62 N HA -0.180 4.557 4.740 -0.004 0.000 0.189 62 N C 1.601 176.961 175.510 -0.251 0.000 1.048 62 N CA 0.528 53.461 53.050 -0.196 0.000 0.855 62 N CB 0.168 38.487 38.487 -0.279 0.000 1.028 62 N HN 0.018 nan 8.380 nan 0.000 0.441 63 Q N 1.176 120.755 119.800 -0.368 0.000 2.182 63 Q HA -0.134 4.204 4.340 -0.004 0.000 0.213 63 Q C 1.276 177.157 176.000 -0.198 0.000 1.000 63 Q CA 1.553 57.148 55.803 -0.347 0.000 0.889 63 Q CB -0.385 28.136 28.738 -0.362 0.000 0.932 63 Q HN 0.364 nan 8.270 nan 0.000 0.415 64 R N -0.965 119.448 120.500 -0.145 0.000 2.387 64 R HA -0.055 4.282 4.340 -0.004 0.000 0.203 64 R C 1.045 177.265 176.300 -0.132 0.000 1.121 64 R CA 0.504 56.539 56.100 -0.109 0.000 1.129 64 R CB -0.094 30.163 30.300 -0.072 0.000 0.905 64 R HN 0.225 nan 8.270 nan 0.000 0.477 65 M N -2.012 117.496 119.600 -0.153 0.000 2.724 65 M HA 0.202 4.680 4.480 -0.004 0.000 0.231 65 M C 1.655 177.872 176.300 -0.138 0.000 1.568 65 M CA 0.734 55.936 55.300 -0.162 0.000 1.153 65 M CB 0.340 32.850 32.600 -0.150 0.000 1.345 65 M HN 0.075 nan 8.290 nan 0.000 0.555 66 G N -0.317 108.400 108.800 -0.139 0.000 3.094 66 G HA2 0.308 4.266 3.960 -0.004 0.000 0.208 66 G HA3 0.308 4.266 3.960 -0.004 0.000 0.208 66 G C 0.831 175.682 174.900 -0.083 0.000 1.189 66 G CA 0.857 45.895 45.100 -0.103 0.000 0.856 66 G HN 0.517 nan 8.290 nan 0.000 0.510 67 A N -0.207 122.553 122.820 -0.100 0.000 2.068 67 A HA 0.419 4.736 4.320 -0.004 0.000 0.206 67 A C 2.113 179.662 177.584 -0.058 0.000 1.822 67 A CA 0.103 52.075 52.037 -0.108 0.000 0.899 67 A CB -0.242 18.692 19.000 -0.111 0.000 1.251 67 A HN 0.184 nan 8.150 nan 0.000 0.599 68 L N -0.033 121.132 121.223 -0.097 0.000 1.963 68 L HA -0.226 4.112 4.340 -0.004 0.000 0.220 68 L C 2.483 179.316 176.870 -0.061 0.000 1.076 68 L CA 1.911 56.682 54.840 -0.116 0.000 0.772 68 L CB -0.706 41.142 42.059 -0.353 0.000 0.892 68 L HN 0.308 nan 8.230 nan 0.000 0.435 69 V N -0.328 119.532 119.914 -0.091 0.000 2.453 69 V HA -0.347 3.770 4.120 -0.004 0.000 0.252 69 V C 2.652 178.768 176.094 0.037 0.000 1.068 69 V CA 2.234 64.510 62.300 -0.039 0.000 1.070 69 V CB -0.765 31.024 31.823 -0.057 0.000 0.664 69 V HN 0.595 nan 8.190 nan 0.000 0.461 70 H N 0.822 119.860 119.070 -0.053 0.000 2.421 70 H HA -0.090 4.463 4.556 -0.005 0.000 0.298 70 H C 1.752 177.071 175.328 -0.014 0.000 1.087 70 H CA 1.949 57.977 56.048 -0.033 0.000 1.330 70 H CB -0.159 29.581 29.762 -0.038 0.000 1.388 70 H HN 0.628 nan 8.280 nan 0.000 0.526 71 T N -2.421 112.284 114.554 0.253 0.000 3.308 71 T HA 0.593 4.940 4.350 -0.004 0.000 0.270 71 T C 1.139 175.906 174.700 0.111 0.000 0.992 71 T CA 0.045 62.256 62.100 0.185 0.000 0.931 71 T CB -0.073 68.900 68.868 0.174 0.000 1.142 71 T HN 0.335 nan 8.240 nan 0.000 0.525 72 A N 1.346 124.217 122.820 0.085 0.000 2.238 72 A HA 0.144 4.461 4.320 -0.004 0.000 0.208 72 A C 1.816 179.472 177.584 0.119 0.000 1.177 72 A CA 0.792 52.894 52.037 0.108 0.000 0.804 72 A CB -0.275 18.768 19.000 0.071 0.000 0.823 72 A HN 0.738 nan 8.150 nan 0.000 0.482 73 D N 0.080 120.532 120.400 0.087 0.000 2.154 73 D HA -0.107 4.531 4.640 -0.004 0.000 0.211 73 D C 0.841 177.205 176.300 0.106 0.000 0.977 73 D CA 0.522 54.571 54.000 0.080 0.000 0.869 73 D CB -0.882 39.945 40.800 0.044 0.000 1.022 73 D HN 0.221 nan 8.370 nan 0.000 0.461 74 N N 0.170 118.927 118.700 0.096 0.000 2.421 74 N HA -0.081 4.657 4.740 -0.004 0.000 0.260 74 N C 0.385 175.976 175.510 0.134 0.000 1.173 74 N CA -0.194 52.919 53.050 0.106 0.000 0.960 74 N CB -0.095 38.439 38.487 0.078 0.000 1.273 74 N HN 0.155 nan 8.380 nan 0.000 0.497 75 Y N 6.529 126.857 120.300 0.047 0.000 2.014 75 Y HA -0.153 4.394 4.550 -0.004 0.000 0.272 75 Y C -0.930 174.991 175.900 0.034 0.000 1.164 75 Y CA 2.158 60.282 58.100 0.040 0.000 1.114 75 Y CB -1.026 37.436 38.460 0.003 0.000 0.961 75 Y HN 0.484 nan 8.280 nan 0.000 0.489 76 P HA -0.194 nan 4.420 nan 0.000 0.218 76 P C 1.595 178.888 177.300 -0.010 0.000 1.146 76 P CA 1.449 64.591 63.100 0.070 0.000 0.813 76 P CB -0.129 31.639 31.700 0.114 0.000 0.778 77 L N -1.603 119.630 121.223 0.018 0.000 2.201 77 L HA -0.086 4.251 4.340 -0.004 0.000 0.212 77 L C 1.931 178.811 176.870 0.017 0.000 1.105 77 L CA 1.532 56.387 54.840 0.025 0.000 0.775 77 L CB -1.090 41.000 42.059 0.052 0.000 0.913 77 L HN -0.088 nan 8.230 nan 0.000 0.440 78 L N -1.691 119.523 121.223 -0.014 0.000 1.938 78 L HA -0.191 4.147 4.340 -0.004 0.000 0.212 78 L C 2.265 179.141 176.870 0.011 0.000 1.085 78 L CA 0.791 55.657 54.840 0.044 0.000 0.760 78 L CB -0.777 41.337 42.059 0.093 0.000 0.888 78 L HN 0.107 nan 8.230 nan 0.000 0.433 79 L N -0.164 120.946 121.223 -0.188 0.000 2.386 79 L HA -0.301 4.036 4.340 -0.004 0.000 0.220 79 L C 2.347 179.219 176.870 0.003 0.000 1.115 79 L CA 1.710 56.462 54.840 -0.147 0.000 0.780 79 L CB -1.702 40.184 42.059 -0.288 0.000 0.902 79 L HN 0.491 nan 8.230 nan 0.000 0.442 80 T N -0.223 114.332 114.554 0.002 0.000 2.755 80 T HA -0.074 4.273 4.350 -0.004 0.000 0.251 80 T C 1.839 176.603 174.700 0.107 0.000 1.044 80 T CA 1.409 63.528 62.100 0.031 0.000 1.154 80 T CB -0.175 68.696 68.868 0.006 0.000 0.866 80 T HN 0.346 nan 8.240 nan 0.000 0.416 81 V N 0.640 120.601 119.914 0.079 0.000 3.078 81 V HA 0.262 4.379 4.120 -0.004 0.000 0.265 81 V C 1.991 178.144 176.094 0.099 0.000 1.122 81 V CA 1.251 63.597 62.300 0.077 0.000 1.141 81 V CB -1.307 30.533 31.823 0.028 0.000 0.735 81 V HN 0.397 nan 8.190 nan 0.000 0.498 82 A N -1.645 121.259 122.820 0.140 0.000 2.302 82 A HA 0.437 4.754 4.320 -0.004 0.000 0.219 82 A C 1.527 179.225 177.584 0.190 0.000 1.243 82 A CA 0.732 52.866 52.037 0.162 0.000 0.856 82 A CB -0.411 18.744 19.000 0.259 0.000 0.893 82 A HN 0.739 nan 8.150 nan 0.000 0.491 83 F N -1.173 118.798 119.950 0.036 0.000 2.421 83 F HA 0.247 4.771 4.527 -0.005 0.000 0.270 83 F C 1.406 177.223 175.800 0.029 0.000 0.894 83 F CA 0.291 58.312 58.000 0.034 0.000 1.128 83 F CB -0.123 38.892 39.000 0.025 0.000 1.011 83 F HN 0.049 nan 8.300 nan 0.000 0.788 84 L N 0.382 121.851 121.223 0.410 0.000 2.013 84 L HA -0.320 4.018 4.340 -0.004 0.000 0.212 84 L C 2.465 179.379 176.870 0.073 0.000 1.073 84 L CA 1.857 56.852 54.840 0.257 0.000 0.753 84 L CB -1.332 40.836 42.059 0.181 0.000 0.890 84 L HN 0.354 nan 8.230 nan 0.000 0.432 85 C N -0.608 118.717 119.300 0.042 0.000 2.442 85 C HA -0.151 4.306 4.460 -0.004 0.000 0.279 85 C C 3.016 177.990 174.990 -0.027 0.000 1.237 85 C CA 1.238 60.258 59.018 0.003 0.000 1.722 85 C CB -0.809 26.928 27.740 -0.004 0.000 2.056 85 C HN 0.503 nan 8.230 nan 0.000 0.469 86 S N 0.577 116.239 115.700 -0.063 0.000 2.547 86 S HA 0.024 4.491 4.470 -0.004 0.000 0.235 86 S C 1.765 176.283 174.600 -0.137 0.000 0.980 86 S CA 0.951 59.098 58.200 -0.089 0.000 0.941 86 S CB -0.231 62.904 63.200 -0.110 0.000 0.763 86 S HN 0.722 nan 8.310 nan 0.000 0.532 87 A N 0.823 123.533 122.820 -0.182 0.000 1.909 87 A HA 0.192 4.509 4.320 -0.004 0.000 0.209 87 A C 2.167 179.744 177.584 -0.011 0.000 1.247 87 A CA 0.477 52.410 52.037 -0.174 0.000 0.660 87 A CB -0.688 18.166 19.000 -0.242 0.000 0.910 87 A HN 0.295 nan 8.150 nan 0.000 0.465 88 V N 0.844 120.771 119.914 0.022 0.000 2.332 88 V HA -0.277 3.840 4.120 -0.004 0.000 0.248 88 V C 2.540 178.697 176.094 0.104 0.000 1.055 88 V CA 2.008 64.347 62.300 0.064 0.000 1.038 88 V CB -0.863 30.988 31.823 0.046 0.000 0.651 88 V HN 0.506 nan 8.190 nan 0.000 0.450 89 L N -0.268 120.999 121.223 0.073 0.000 2.007 89 L HA -0.052 4.285 4.340 -0.004 0.000 0.205 89 L C 2.857 179.853 176.870 0.211 0.000 1.073 89 L CA 1.441 56.350 54.840 0.115 0.000 0.744 89 L CB -1.091 40.991 42.059 0.037 0.000 0.898 89 L HN 0.330 nan 8.230 nan 0.000 0.435 90 A N 0.314 123.225 122.820 0.152 0.000 1.915 90 A HA -0.321 3.996 4.320 -0.004 0.000 0.220 90 A C 2.313 180.129 177.584 0.386 0.000 1.198 90 A CA 2.444 54.624 52.037 0.238 0.000 0.647 90 A CB -0.692 18.429 19.000 0.202 0.000 0.825 90 A HN 0.373 nan 8.150 nan 0.000 0.456 91 M N -2.339 117.416 119.600 0.259 0.000 2.084 91 M HA -0.139 4.339 4.480 -0.004 0.000 0.259 91 M C 2.206 178.693 176.300 0.311 0.000 1.072 91 M CA 2.298 57.739 55.300 0.235 0.000 1.107 91 M CB -0.759 31.915 32.600 0.122 0.000 1.299 91 M HN 0.544 nan 8.290 nan 0.000 0.413 92 F N 1.208 121.255 119.950 0.161 0.000 2.167 92 F HA -0.250 4.274 4.527 -0.004 0.000 0.301 92 F C 1.909 177.799 175.800 0.150 0.000 1.066 92 F CA 1.817 59.924 58.000 0.178 0.000 1.285 92 F CB -0.769 38.288 39.000 0.095 0.000 1.032 92 F HN 0.111 nan 8.300 nan 0.000 0.495 93 G N -0.752 108.170 108.800 0.203 0.000 2.556 93 G HA2 -0.293 3.664 3.960 -0.004 0.000 0.215 93 G HA3 -0.293 3.664 3.960 -0.004 0.000 0.215 93 G C 1.324 176.159 174.900 -0.108 0.000 1.258 93 G CA 0.931 46.027 45.100 -0.007 0.000 0.811 93 G HN 0.459 nan 8.290 nan 0.000 0.557 94 Y N 0.133 120.378 120.300 -0.092 0.000 2.132 94 Y HA -0.221 4.326 4.550 -0.005 0.000 0.280 94 Y C 2.414 178.266 175.900 -0.081 0.000 1.193 94 Y CA 1.638 59.633 58.100 -0.176 0.000 1.157 94 Y CB -0.756 37.584 38.460 -0.199 0.000 0.966 94 Y HN 0.259 nan 8.280 nan 0.000 0.511 95 F N 0.083 120.013 119.950 -0.034 0.000 2.011 95 F HA -0.302 4.222 4.527 -0.005 0.000 0.296 95 F C 1.941 177.666 175.800 -0.125 0.000 1.144 95 F CA 0.803 58.758 58.000 -0.076 0.000 1.185 95 F CB -0.333 38.598 39.000 -0.114 0.000 0.961 95 F HN -0.080 nan 8.300 nan 0.000 0.485 96 L N 0.703 121.652 121.223 -0.457 0.000 2.671 96 L HA -0.189 4.149 4.340 -0.004 0.000 0.236 96 L C 1.549 178.258 176.870 -0.268 0.000 1.178 96 L CA 0.723 55.196 54.840 -0.612 0.000 0.829 96 L CB -1.374 40.249 42.059 -0.727 0.000 0.956 96 L HN 0.238 nan 8.230 nan 0.000 0.455 97 V N -1.487 118.333 119.914 -0.157 0.000 2.840 97 V HA 0.006 4.123 4.120 -0.004 0.000 0.234 97 V C 2.309 178.360 176.094 -0.072 0.000 1.159 97 V CA 0.180 62.399 62.300 -0.135 0.000 1.194 97 V CB -0.158 31.528 31.823 -0.230 0.000 0.971 97 V HN 0.263 nan 8.190 nan 0.000 0.494 98 R N 1.117 121.589 120.500 -0.046 0.000 2.152 98 R HA -0.100 4.237 4.340 -0.004 0.000 0.232 98 R C 1.817 178.169 176.300 0.086 0.000 1.117 98 R CA 1.047 57.159 56.100 0.020 0.000 0.981 98 R CB -0.307 30.046 30.300 0.089 0.000 0.870 98 R HN 0.307 nan 8.270 nan 0.000 0.451 99 K N -0.902 119.578 120.400 0.133 0.000 2.358 99 K HA 0.090 4.408 4.320 -0.004 0.000 0.197 99 K C 0.128 176.579 176.600 -0.248 0.000 1.025 99 K CA 0.387 56.692 56.287 0.029 0.000 1.104 99 K CB 0.483 33.095 32.500 0.187 0.000 0.855 99 K HN 0.062 nan 8.250 nan 0.000 0.531 100 Y N -2.014 118.198 120.300 -0.146 0.000 2.491 100 Y HA 0.463 5.011 4.550 -0.004 0.000 0.276 100 Y C -0.329 175.480 175.900 -0.151 0.000 1.041 100 Y CA -0.327 57.681 58.100 -0.155 0.000 1.191 100 Y CB 1.528 39.864 38.460 -0.207 0.000 1.365 100 Y HN -0.019 nan 8.280 nan 0.000 0.566 101 A N -0.104 122.710 122.820 -0.009 0.000 2.913 101 A HA 0.453 4.771 4.320 -0.004 0.000 0.284 101 A C -2.534 174.998 177.584 -0.087 0.000 1.273 101 A CA -0.664 51.327 52.037 -0.076 0.000 0.899 101 A CB 0.070 19.010 19.000 -0.100 0.000 1.444 101 A HN -0.044 nan 8.150 nan 0.000 0.586 102 P HA -0.221 nan 4.420 nan 0.000 0.220 102 P C 1.337 178.592 177.300 -0.076 0.000 1.144 102 P CA 1.837 64.899 63.100 -0.063 0.000 0.800 102 P CB 0.209 31.903 31.700 -0.010 0.000 0.772 103 E N -0.492 119.661 120.200 -0.080 0.000 2.204 103 E HA -0.098 4.249 4.350 -0.004 0.000 0.194 103 E C 1.891 178.437 176.600 -0.091 0.000 0.989 103 E CA 0.910 57.263 56.400 -0.078 0.000 0.824 103 E CB -0.835 28.814 29.700 -0.085 0.000 0.756 103 E HN 0.129 nan 8.360 nan 0.000 0.477 104 A N 2.626 125.381 122.820 -0.108 0.000 1.828 104 A HA 0.020 4.337 4.320 -0.004 0.000 0.215 104 A C 1.828 179.338 177.584 -0.123 0.000 1.203 104 A CA 1.057 53.028 52.037 -0.110 0.000 0.614 104 A CB -1.628 17.300 19.000 -0.119 0.000 0.844 104 A HN 0.357 nan 8.150 nan 0.000 0.445 105 G N -0.795 107.902 108.800 -0.173 0.000 2.368 105 G HA2 0.424 4.381 3.960 -0.004 0.000 0.247 105 G HA3 0.424 4.381 3.960 -0.004 0.000 0.247 105 G C 0.919 175.710 174.900 -0.182 0.000 0.855 105 G CA 0.670 45.635 45.100 -0.224 0.000 0.943 105 G HN 2.102 nan 8.290 nan 0.000 0.374 106 G N 0.984 109.664 108.800 -0.200 0.000 2.627 106 G HA2 0.098 4.056 3.960 -0.004 0.000 0.214 106 G HA3 0.098 4.056 3.960 -0.004 0.000 0.214 106 G C 1.188 176.141 174.900 0.089 0.000 1.331 106 G CA 0.667 45.624 45.100 -0.238 0.000 0.891 106 G HN 2.038 nan 8.290 nan 0.000 0.539 107 S N -0.714 115.223 115.700 0.396 0.000 2.444 107 S HA 0.218 4.686 4.470 -0.004 0.000 0.225 107 S C 2.436 177.097 174.600 0.101 0.000 1.042 107 S CA 3.940 62.340 58.200 0.334 0.000 1.132 107 S CB -0.688 62.621 63.200 0.181 0.000 1.099 107 S HN 2.921 nan 8.310 nan 0.000 0.417 108 G N -0.473 108.340 108.800 0.021 0.000 2.367 108 G HA2 -0.121 3.837 3.960 -0.004 0.000 0.181 108 G HA3 -0.121 3.837 3.960 -0.004 0.000 0.181 108 G C 0.841 175.738 174.900 -0.004 0.000 1.000 108 G CA 0.267 45.361 45.100 -0.009 0.000 0.693 108 G HN 0.526 nan 8.290 nan 0.000 0.480 109 I N 1.242 121.807 120.570 -0.010 0.000 2.406 109 I HA 0.009 4.177 4.170 -0.004 0.000 0.249 109 I C -0.126 175.990 176.117 -0.002 0.000 1.122 109 I CA 0.825 62.160 61.300 0.058 0.000 1.431 109 I CB -0.587 37.560 38.000 0.246 0.000 1.087 109 I HN 0.078 nan 8.210 nan 0.000 0.424 110 P HA -0.167 nan 4.420 nan 0.000 0.216 110 P C 1.370 178.661 177.300 -0.015 0.000 1.150 110 P CA 1.312 64.374 63.100 -0.064 0.000 0.837 110 P CB 0.027 31.670 31.700 -0.094 0.000 0.786 111 E N -0.421 119.766 120.200 -0.021 0.000 2.001 111 E HA -0.121 4.227 4.350 -0.004 0.000 0.193 111 E C 2.131 178.732 176.600 0.002 0.000 0.994 111 E CA 1.024 57.417 56.400 -0.012 0.000 0.815 111 E CB -1.051 28.634 29.700 -0.024 0.000 0.770 111 E HN 0.137 nan 8.360 nan 0.000 0.453 112 I N 1.605 122.180 120.570 0.009 0.000 2.185 112 I HA -0.298 3.869 4.170 -0.004 0.000 0.246 112 I C 2.504 178.626 176.117 0.008 0.000 1.088 112 I CA 1.477 62.786 61.300 0.015 0.000 1.347 112 I CB -1.173 36.846 38.000 0.032 0.000 1.041 112 I HN 0.296 nan 8.210 nan 0.000 0.415 113 E N 0.574 120.787 120.200 0.022 0.000 2.204 113 E HA -0.167 4.181 4.350 -0.004 0.000 0.195 113 E C 2.265 178.864 176.600 -0.002 0.000 0.990 113 E CA 1.303 57.708 56.400 0.009 0.000 0.821 113 E CB -0.144 29.587 29.700 0.052 0.000 0.750 113 E HN 0.523 nan 8.360 nan 0.000 0.477 114 G N 0.388 109.192 108.800 0.007 0.000 2.437 114 G HA2 -0.069 3.888 3.960 -0.004 0.000 0.212 114 G HA3 -0.069 3.888 3.960 -0.004 0.000 0.212 114 G C 1.621 176.522 174.900 0.001 0.000 1.174 114 G CA 0.426 45.531 45.100 0.010 0.000 0.811 114 G HN 0.346 nan 8.290 nan 0.000 0.537 115 A N 0.378 123.200 122.820 0.004 0.000 2.186 115 A HA 0.102 4.419 4.320 -0.004 0.000 0.219 115 A C 2.296 179.876 177.584 -0.007 0.000 1.159 115 A CA 0.904 52.950 52.037 0.017 0.000 0.680 115 A CB -0.303 18.713 19.000 0.027 0.000 0.787 115 A HN 0.385 nan 8.150 nan 0.000 0.467 116 L N -1.072 120.112 121.223 -0.066 0.000 2.023 116 L HA -0.099 4.239 4.340 -0.004 0.000 0.205 116 L C 2.211 178.922 176.870 -0.264 0.000 1.073 116 L CA 1.202 55.918 54.840 -0.207 0.000 0.745 116 L CB -0.481 41.454 42.059 -0.207 0.000 0.900 116 L HN 0.409 nan 8.230 nan 0.000 0.435 117 E N -0.130 120.004 120.200 -0.110 0.000 2.516 117 E HA -0.137 4.211 4.350 -0.004 0.000 0.199 117 E C -0.496 176.127 176.600 0.039 0.000 1.069 117 E CA 0.224 56.604 56.400 -0.033 0.000 0.876 117 E CB 0.027 29.736 29.700 0.015 0.000 0.843 117 E HN 0.369 nan 8.360 nan 0.000 0.530 118 D N 0.625 121.055 120.400 0.050 0.000 2.775 118 D HA -0.146 4.492 4.640 -0.004 0.000 0.235 118 D C 0.373 176.710 176.300 0.060 0.000 1.120 118 D CA 0.432 54.484 54.000 0.088 0.000 0.708 118 D CB -0.775 40.104 40.800 0.131 0.000 1.084 118 D HN 0.257 nan 8.370 nan 0.000 0.434 119 Q N -0.665 119.160 119.800 0.042 0.000 2.217 119 Q HA 0.157 4.494 4.340 -0.004 0.000 0.217 119 Q C 0.473 176.490 176.000 0.028 0.000 0.844 119 Q CA 0.401 56.224 55.803 0.033 0.000 0.957 119 Q CB 1.082 29.835 28.738 0.025 0.000 1.127 119 Q HN 0.285 nan 8.270 nan 0.000 0.503 120 R N 0.124 120.643 120.500 0.032 0.000 2.643 120 R HA 0.546 4.884 4.340 -0.004 0.000 0.269 120 R C -2.699 173.623 176.300 0.038 0.000 1.037 120 R CA -1.802 54.313 56.100 0.025 0.000 0.894 120 R CB 0.784 31.091 30.300 0.011 0.000 1.238 120 R HN -0.107 nan 8.270 nan 0.000 0.459 121 P HA 0.367 nan 4.420 nan 0.000 0.280 121 P C -0.522 176.798 177.300 0.033 0.000 1.272 121 P CA -0.681 62.455 63.100 0.060 0.000 0.819 121 P CB 0.776 32.518 31.700 0.070 0.000 1.122 122 V N 1.801 121.760 119.914 0.076 0.000 2.233 122 V HA 0.226 4.344 4.120 -0.004 0.000 0.261 122 V C 0.730 176.778 176.094 -0.077 0.000 1.076 122 V CA -0.347 61.986 62.300 0.054 0.000 1.001 122 V CB -0.384 31.536 31.823 0.161 0.000 1.206 122 V HN 0.422 nan 8.190 nan 0.000 0.468 123 R N 3.361 123.601 120.500 -0.433 0.000 4.510 123 R HA -0.016 4.322 4.340 -0.004 0.000 0.170 123 R C 1.606 177.087 176.300 -1.364 0.000 1.906 123 R CA -0.072 55.158 56.100 -1.449 0.000 1.492 123 R CB -0.089 29.581 30.300 -1.051 0.000 1.383 123 R HN 0.921 nan 8.270 nan 0.000 0.823 124 W N 1.056 121.920 121.300 -0.728 0.000 2.338 124 W HA -0.256 4.401 4.660 -0.005 0.000 0.304 124 W C 0.869 177.238 176.519 -0.249 0.000 1.212 124 W CA 0.805 57.970 57.345 -0.300 0.000 1.264 124 W CB -1.216 28.235 29.460 -0.016 0.000 1.142 124 W HN 0.494 nan 8.180 nan 0.000 0.512 125 W N 1.583 122.398 121.300 -0.808 0.000 2.504 125 W HA 0.057 4.715 4.660 -0.004 0.000 0.257 125 W C 1.976 178.374 176.519 -0.203 0.000 1.225 125 W CA 1.153 58.107 57.345 -0.651 0.000 1.205 125 W CB -0.993 27.846 29.460 -1.035 0.000 1.137 125 W HN -0.147 nan 8.180 nan 0.000 0.612 126 R N 0.114 120.197 120.500 -0.695 0.000 2.207 126 R HA 0.039 4.376 4.340 -0.004 0.000 0.184 126 R C 2.275 178.443 176.300 -0.220 0.000 1.280 126 R CA 0.776 56.630 56.100 -0.409 0.000 1.166 126 R CB -0.627 29.339 30.300 -0.555 0.000 1.116 126 R HN 0.080 nan 8.270 nan 0.000 0.494 127 V N 3.019 122.769 119.914 -0.273 0.000 2.233 127 V HA -0.355 3.763 4.120 -0.004 0.000 0.252 127 V C 2.501 178.558 176.094 -0.061 0.000 1.063 127 V CA 2.049 64.260 62.300 -0.149 0.000 1.032 127 V CB -0.817 30.918 31.823 -0.147 0.000 0.645 127 V HN 0.286 nan 8.190 nan 0.000 0.446 128 L N 0.603 121.816 121.223 -0.015 0.000 1.957 128 L HA -0.202 4.135 4.340 -0.004 0.000 0.228 128 L C 0.591 177.494 176.870 0.055 0.000 1.086 128 L CA 2.776 57.620 54.840 0.006 0.000 0.796 128 L CB -2.406 39.689 42.059 0.059 0.000 0.900 128 L HN 0.356 nan 8.230 nan 0.000 0.439 129 P HA -0.150 nan 4.420 nan 0.000 0.216 129 P C 1.873 179.341 177.300 0.280 0.000 1.153 129 P CA 1.654 64.936 63.100 0.302 0.000 0.858 129 P CB -0.052 31.818 31.700 0.282 0.000 0.789 130 V N 1.058 121.022 119.914 0.084 0.000 2.220 130 V HA -0.239 3.878 4.120 -0.004 0.000 0.246 130 V C 2.857 178.958 176.094 0.012 0.000 1.049 130 V CA 2.534 64.831 62.300 -0.005 0.000 1.003 130 V CB -1.269 30.514 31.823 -0.066 0.000 0.634 130 V HN 0.090 nan 8.190 nan 0.000 0.444 131 K N -0.263 120.132 120.400 -0.008 0.000 2.063 131 K HA -0.175 4.143 4.320 -0.004 0.000 0.208 131 K C 1.832 178.451 176.600 0.031 0.000 1.048 131 K CA 1.687 57.958 56.287 -0.027 0.000 0.928 131 K CB -0.619 31.837 32.500 -0.073 0.000 0.713 131 K HN 0.419 nan 8.250 nan 0.000 0.442 132 F N -0.296 119.566 119.950 -0.148 0.000 1.980 132 F HA -0.238 4.287 4.527 -0.004 0.000 0.298 132 F C 1.658 177.459 175.800 0.003 0.000 1.255 132 F CA 1.667 59.551 58.000 -0.193 0.000 1.179 132 F CB -0.455 38.309 39.000 -0.395 0.000 0.957 132 F HN -0.002 nan 8.300 nan 0.000 0.507 133 F N 1.284 121.191 119.950 -0.071 0.000 2.111 133 F HA -0.221 4.303 4.527 -0.004 0.000 0.300 133 F C 2.552 178.384 175.800 0.052 0.000 1.088 133 F CA 1.425 59.361 58.000 -0.107 0.000 1.243 133 F CB -1.702 37.336 39.000 0.064 0.000 0.996 133 F HN 0.222 nan 8.300 nan 0.000 0.483 134 G N -0.186 108.719 108.800 0.174 0.000 2.587 134 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.217 134 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.217 134 G C 2.054 177.001 174.900 0.078 0.000 1.240 134 G CA 0.977 46.105 45.100 0.046 0.000 0.794 134 G HN 0.543 nan 8.290 nan 0.000 0.580 135 G N 0.028 108.880 108.800 0.087 0.000 2.498 135 G HA2 -0.044 3.913 3.960 -0.004 0.000 0.219 135 G HA3 -0.044 3.913 3.960 -0.004 0.000 0.219 135 G C 1.692 176.648 174.900 0.093 0.000 1.119 135 G CA 0.695 45.872 45.100 0.129 0.000 0.766 135 G HN 0.320 nan 8.290 nan 0.000 0.552 136 L N 1.192 122.451 121.223 0.059 0.000 2.079 136 L HA 0.078 4.416 4.340 -0.004 0.000 0.210 136 L C 2.851 179.677 176.870 -0.075 0.000 1.081 136 L CA 1.863 56.609 54.840 -0.156 0.000 0.752 136 L CB -0.750 41.166 42.059 -0.237 0.000 0.896 136 L HN 0.220 nan 8.230 nan 0.000 0.433 137 G N -2.061 106.776 108.800 0.061 0.000 2.404 137 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.213 137 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.213 137 G C 1.552 176.483 174.900 0.052 0.000 1.189 137 G CA 1.013 46.168 45.100 0.093 0.000 0.796 137 G HN 0.436 nan 8.290 nan 0.000 0.532 138 T N 0.596 115.174 114.554 0.040 0.000 2.684 138 T HA -0.076 4.271 4.350 -0.004 0.000 0.267 138 T C 2.426 177.125 174.700 -0.001 0.000 1.036 138 T CA 1.331 63.437 62.100 0.010 0.000 1.148 138 T CB -0.401 68.434 68.868 -0.054 0.000 0.863 138 T HN 0.142 nan 8.240 nan 0.000 0.436 139 L N 0.979 122.186 121.223 -0.027 0.000 2.049 139 L HA 0.199 4.536 4.340 -0.004 0.000 0.203 139 L C 3.188 180.010 176.870 -0.080 0.000 1.074 139 L CA 1.203 56.005 54.840 -0.063 0.000 0.749 139 L CB -1.048 40.937 42.059 -0.124 0.000 0.907 139 L HN 0.476 nan 8.230 nan 0.000 0.439 140 G N -0.716 108.021 108.800 -0.105 0.000 2.615 140 G HA2 -0.112 3.846 3.960 -0.004 0.000 0.213 140 G HA3 -0.112 3.846 3.960 -0.004 0.000 0.213 140 G C 1.333 176.214 174.900 -0.033 0.000 1.135 140 G CA 0.744 45.797 45.100 -0.078 0.000 0.772 140 G HN 0.516 nan 8.290 nan 0.000 0.542 141 G N -0.788 107.998 108.800 -0.023 0.000 2.556 141 G HA2 0.393 4.351 3.960 -0.004 0.000 0.209 141 G HA3 0.393 4.351 3.960 -0.004 0.000 0.209 141 G C 1.022 175.915 174.900 -0.012 0.000 1.159 141 G CA 0.655 45.747 45.100 -0.012 0.000 0.828 141 G HN 1.250 nan 8.290 nan 0.000 0.553 142 G N -0.566 108.230 108.800 -0.008 0.000 2.407 142 G HA2 -0.089 3.869 3.960 -0.004 0.000 0.210 142 G HA3 -0.089 3.869 3.960 -0.004 0.000 0.210 142 G C 0.265 175.173 174.900 0.014 0.000 1.015 142 G CA -0.245 44.856 45.100 0.002 0.000 0.807 142 G HN 0.260 nan 8.290 nan 0.000 0.539 143 M N 0.575 120.185 119.600 0.017 0.000 2.198 143 M HA 0.278 4.755 4.480 -0.004 0.000 0.315 143 M C 1.273 177.595 176.300 0.036 0.000 1.134 143 M CA -0.037 55.286 55.300 0.038 0.000 1.171 143 M CB 1.223 33.856 32.600 0.056 0.000 1.413 143 M HN -0.126 nan 8.290 nan 0.000 0.467 144 V N 3.955 123.904 119.914 0.058 0.000 2.743 144 V HA 0.126 4.243 4.120 -0.004 0.000 0.356 144 V C -0.062 176.071 176.094 0.065 0.000 1.594 144 V CA 0.369 62.702 62.300 0.055 0.000 1.652 144 V CB -1.886 29.982 31.823 0.076 0.000 1.389 144 V HN 0.503 nan 8.190 nan 0.000 0.514 145 L N 0.181 121.430 121.223 0.045 0.000 2.370 145 L HA 0.804 5.141 4.340 -0.004 0.000 0.266 145 L C 0.916 177.779 176.870 -0.010 0.000 1.002 145 L CA -0.592 54.280 54.840 0.053 0.000 0.818 145 L CB 1.604 43.724 42.059 0.101 0.000 1.325 145 L HN 0.334 nan 8.230 nan 0.000 0.418 146 G N 0.657 109.441 108.800 -0.027 0.000 2.553 146 G HA2 0.388 4.346 3.960 -0.004 0.000 0.278 146 G HA3 0.388 4.346 3.960 -0.004 0.000 0.278 146 G C 0.451 175.349 174.900 -0.004 0.000 1.349 146 G CA -0.347 44.702 45.100 -0.084 0.000 1.037 146 G HN 0.902 nan 8.290 nan 0.000 0.508 147 R N -1.730 118.766 120.500 -0.008 0.000 2.541 147 R HA 0.180 4.518 4.340 -0.004 0.000 0.332 147 R C 1.448 177.797 176.300 0.082 0.000 0.951 147 R CA -0.241 55.965 56.100 0.177 0.000 1.136 147 R CB 0.015 30.485 30.300 0.284 0.000 1.449 147 R HN 0.373 nan 8.270 nan 0.000 0.531 148 Q N 1.795 121.560 119.800 -0.058 0.000 1.889 148 Q HA -0.006 4.332 4.340 -0.004 0.000 0.211 148 Q C 2.111 178.094 176.000 -0.029 0.000 0.988 148 Q CA 2.130 57.862 55.803 -0.118 0.000 0.861 148 Q CB -1.125 27.512 28.738 -0.170 0.000 0.922 148 Q HN 0.368 nan 8.270 nan 0.000 0.425 149 G N 2.689 111.520 108.800 0.051 0.000 2.766 149 G HA2 -0.296 3.661 3.960 -0.004 0.000 0.222 149 G HA3 -0.296 3.661 3.960 -0.004 0.000 0.222 149 G C -0.987 173.933 174.900 0.034 0.000 1.225 149 G CA 1.639 46.800 45.100 0.101 0.000 0.784 149 G HN 0.342 nan 8.290 nan 0.000 0.631 150 P HA -0.140 nan 4.420 nan 0.000 0.219 150 P C 2.016 179.216 177.300 -0.166 0.000 1.153 150 P CA 2.232 65.295 63.100 -0.062 0.000 0.865 150 P CB -0.253 31.424 31.700 -0.037 0.000 0.788 151 T N -1.348 113.106 114.554 -0.167 0.000 2.770 151 T HA -0.085 4.263 4.350 -0.004 0.000 0.263 151 T C 1.780 176.411 174.700 -0.115 0.000 1.039 151 T CA 1.165 63.146 62.100 -0.198 0.000 1.142 151 T CB -0.981 67.796 68.868 -0.153 0.000 0.868 151 T HN -0.142 nan 8.240 nan 0.000 0.435 152 V N 1.894 121.774 119.914 -0.057 0.000 2.277 152 V HA -0.337 3.780 4.120 -0.004 0.000 0.255 152 V C 2.580 178.669 176.094 -0.008 0.000 1.074 152 V CA 2.358 64.656 62.300 -0.003 0.000 1.058 152 V CB -0.783 31.085 31.823 0.075 0.000 0.656 152 V HN 0.539 nan 8.190 nan 0.000 0.449 153 Q N -0.476 119.313 119.800 -0.020 0.000 2.016 153 Q HA -0.171 4.166 4.340 -0.004 0.000 0.200 153 Q C 2.299 178.258 176.000 -0.068 0.000 0.978 153 Q CA 2.023 57.807 55.803 -0.032 0.000 0.833 153 Q CB -0.163 28.553 28.738 -0.037 0.000 0.895 153 Q HN 0.642 nan 8.270 nan 0.000 0.427 154 I N 0.753 121.251 120.570 -0.119 0.000 2.315 154 I HA -0.248 3.920 4.170 -0.004 0.000 0.251 154 I C 2.223 178.262 176.117 -0.129 0.000 1.125 154 I CA 1.176 62.384 61.300 -0.152 0.000 1.392 154 I CB -0.844 37.006 38.000 -0.249 0.000 1.065 154 I HN 0.422 nan 8.210 nan 0.000 0.424 155 G N 0.889 109.625 108.800 -0.106 0.000 2.464 155 G HA2 -0.169 3.788 3.960 -0.004 0.000 0.214 155 G HA3 -0.169 3.788 3.960 -0.004 0.000 0.214 155 G C 1.721 176.580 174.900 -0.069 0.000 1.218 155 G CA 0.812 45.860 45.100 -0.087 0.000 0.794 155 G HN 0.442 nan 8.290 nan 0.000 0.542 156 G N 1.196 109.973 108.800 -0.039 0.000 2.556 156 G HA2 -0.358 3.599 3.960 -0.004 0.000 0.220 156 G HA3 -0.358 3.599 3.960 -0.004 0.000 0.220 156 G C 1.751 176.632 174.900 -0.032 0.000 1.156 156 G CA 1.545 46.631 45.100 -0.022 0.000 0.766 156 G HN 0.473 nan 8.290 nan 0.000 0.583 157 N N 0.438 119.121 118.700 -0.028 0.000 2.061 157 N HA -0.115 4.622 4.740 -0.004 0.000 0.193 157 N C 2.115 177.548 175.510 -0.128 0.000 1.030 157 N CA 1.202 54.247 53.050 -0.009 0.000 0.856 157 N CB -0.206 38.300 38.487 0.032 0.000 1.023 157 N HN 0.216 nan 8.380 nan 0.000 0.424 158 I N 0.511 120.993 120.570 -0.147 0.000 2.151 158 I HA -0.187 3.980 4.170 -0.004 0.000 0.243 158 I C 2.383 178.369 176.117 -0.218 0.000 1.080 158 I CA 1.500 62.673 61.300 -0.212 0.000 1.339 158 I CB -1.784 36.114 38.000 -0.169 0.000 1.039 158 I HN 0.204 nan 8.210 nan 0.000 0.409 159 G N 0.507 109.225 108.800 -0.136 0.000 2.446 159 G HA2 -0.338 3.619 3.960 -0.004 0.000 0.217 159 G HA3 -0.338 3.619 3.960 -0.004 0.000 0.217 159 G C 1.863 176.687 174.900 -0.126 0.000 1.168 159 G CA 1.152 46.192 45.100 -0.101 0.000 0.771 159 G HN 0.242 nan 8.290 nan 0.000 0.551 160 R N 0.179 120.608 120.500 -0.119 0.000 2.082 160 R HA -0.035 4.302 4.340 -0.004 0.000 0.234 160 R C 2.579 178.686 176.300 -0.322 0.000 1.136 160 R CA 2.111 58.154 56.100 -0.096 0.000 0.935 160 R CB -0.789 29.542 30.300 0.051 0.000 0.842 160 R HN 0.384 nan 8.270 nan 0.000 0.430 161 M N 0.206 119.351 119.600 -0.759 0.000 2.103 161 M HA -0.245 4.232 4.480 -0.004 0.000 0.255 161 M C 1.952 177.817 176.300 -0.724 0.000 1.074 161 M CA 2.697 57.210 55.300 -1.312 0.000 1.090 161 M CB -0.248 31.513 32.600 -1.399 0.000 1.325 161 M HN 0.224 nan 8.290 nan 0.000 0.403 162 V N -1.120 118.499 119.914 -0.492 0.000 2.307 162 V HA -0.209 3.908 4.120 -0.004 0.000 0.245 162 V C 2.233 178.158 176.094 -0.282 0.000 1.045 162 V CA 1.667 63.697 62.300 -0.450 0.000 1.024 162 V CB -1.450 30.270 31.823 -0.172 0.000 0.651 162 V HN 0.615 nan 8.190 nan 0.000 0.449 163 L N 1.583 122.736 121.223 -0.117 0.000 2.021 163 L HA -0.244 4.093 4.340 -0.004 0.000 0.215 163 L C 2.055 178.925 176.870 0.001 0.000 1.074 163 L CA 2.861 57.701 54.840 -0.000 0.000 0.760 163 L CB -1.031 41.041 42.059 0.021 0.000 0.889 163 L HN 0.388 nan 8.230 nan 0.000 0.433 164 D N -0.484 119.893 120.400 -0.040 0.000 2.103 164 D HA -0.086 4.551 4.640 -0.004 0.000 0.199 164 D C 2.267 178.541 176.300 -0.043 0.000 0.978 164 D CA 1.670 55.690 54.000 0.033 0.000 0.829 164 D CB -0.187 40.738 40.800 0.208 0.000 0.981 164 D HN 0.423 nan 8.370 nan 0.000 0.464 165 I N -0.178 120.249 120.570 -0.238 0.000 2.700 165 I HA -0.190 3.977 4.170 -0.004 0.000 0.261 165 I C 0.694 176.643 176.117 -0.279 0.000 1.219 165 I CA 0.725 61.809 61.300 -0.359 0.000 1.463 165 I CB 0.024 37.623 38.000 -0.669 0.000 1.092 165 I HN -0.065 nan 8.210 nan 0.000 0.452 166 F N 0.829 120.786 119.950 0.011 0.000 2.729 166 F HA 0.235 4.759 4.527 -0.004 0.000 0.315 166 F C 0.915 176.728 175.800 0.022 0.000 1.102 166 F CA -0.898 57.114 58.000 0.019 0.000 1.204 166 F CB -0.146 38.868 39.000 0.023 0.000 1.052 166 F HN -0.008 nan 8.300 nan 0.000 0.551 167 R N 0.382 120.978 120.500 0.160 0.000 3.490 167 R HA -0.245 4.092 4.340 -0.004 0.000 0.243 167 R C -0.562 175.800 176.300 0.102 0.000 1.017 167 R CA 0.424 56.588 56.100 0.106 0.000 0.680 167 R CB -3.092 27.255 30.300 0.079 0.000 1.056 167 R HN 0.334 nan 8.270 nan 0.000 0.484 168 L N -0.613 120.687 121.223 0.128 0.000 2.462 168 L HA 0.366 4.704 4.340 -0.004 0.000 0.272 168 L C 0.816 177.727 176.870 0.068 0.000 1.166 168 L CA 0.243 55.139 54.840 0.092 0.000 0.880 168 L CB 0.261 42.384 42.059 0.106 0.000 1.142 168 L HN 0.124 nan 8.230 nan 0.000 0.473 169 K N 2.254 122.682 120.400 0.047 0.000 2.185 169 K HA 0.848 5.165 4.320 -0.004 0.000 0.240 169 K C -0.208 176.403 176.600 0.018 0.000 0.983 169 K CA -0.337 55.970 56.287 0.032 0.000 0.873 169 K CB 1.565 34.082 32.500 0.028 0.000 1.118 169 K HN 1.006 nan 8.250 nan 0.000 0.441 170 G N 2.758 111.559 108.800 0.002 0.000 3.305 170 G HA2 -0.094 3.863 3.960 -0.004 0.000 0.649 170 G HA3 -0.094 3.863 3.960 -0.004 0.000 0.649 170 G C -0.236 174.636 174.900 -0.047 0.000 1.255 170 G CA -0.281 44.811 45.100 -0.014 0.000 1.137 170 G HN 0.807 nan 8.290 nan 0.000 0.535 171 D N 0.467 120.810 120.400 -0.096 0.000 2.569 171 D HA -0.245 4.393 4.640 -0.004 0.000 0.191 171 D C 2.029 178.206 176.300 -0.206 0.000 1.042 171 D CA 2.150 56.008 54.000 -0.236 0.000 0.873 171 D CB 0.104 40.754 40.800 -0.250 0.000 0.946 171 D HN 0.711 nan 8.370 nan 0.000 0.467 172 E N -0.423 119.725 120.200 -0.086 0.000 2.086 172 E HA -0.289 4.058 4.350 -0.004 0.000 0.205 172 E C 1.777 178.382 176.600 0.009 0.000 1.027 172 E CA 1.373 57.762 56.400 -0.018 0.000 0.830 172 E CB -0.193 29.516 29.700 0.015 0.000 0.751 172 E HN 0.345 nan 8.360 nan 0.000 0.456 173 A N 0.209 123.035 122.820 0.009 0.000 2.252 173 A HA -0.046 4.271 4.320 -0.004 0.000 0.207 173 A C 1.818 179.427 177.584 0.042 0.000 1.194 173 A CA 0.505 52.563 52.037 0.035 0.000 0.809 173 A CB -0.157 18.868 19.000 0.043 0.000 0.814 173 A HN 0.113 nan 8.150 nan 0.000 0.482 174 R N -2.033 118.482 120.500 0.024 0.000 2.257 174 R HA 0.149 4.487 4.340 -0.004 0.000 0.195 174 R C 1.409 177.813 176.300 0.174 0.000 0.921 174 R CA 0.401 56.540 56.100 0.065 0.000 1.069 174 R CB 0.036 30.349 30.300 0.022 0.000 1.115 174 R HN 0.727 nan 8.270 nan 0.000 0.571 175 H N -1.264 117.819 119.070 0.022 0.000 2.497 175 H HA 0.108 4.661 4.556 -0.004 0.000 0.282 175 H C 1.273 176.602 175.328 0.001 0.000 1.003 175 H CA 0.972 57.025 56.048 0.008 0.000 1.307 175 H CB 0.759 30.520 29.762 -0.003 0.000 1.437 175 H HN 0.090 nan 8.280 nan 0.000 0.544 176 T N 0.972 115.607 114.554 0.136 0.000 2.706 176 T HA -0.041 4.307 4.350 -0.004 0.000 0.255 176 T C 2.102 176.837 174.700 0.057 0.000 1.048 176 T CA 0.479 62.625 62.100 0.076 0.000 1.153 176 T CB -0.221 68.684 68.868 0.062 0.000 0.865 176 T HN 0.168 nan 8.240 nan 0.000 0.414 177 L N 0.780 122.036 121.223 0.056 0.000 2.263 177 L HA -0.101 4.236 4.340 -0.004 0.000 0.216 177 L C 2.353 179.238 176.870 0.025 0.000 1.111 177 L CA 0.827 55.689 54.840 0.035 0.000 0.773 177 L CB -0.492 41.588 42.059 0.035 0.000 0.906 177 L HN 0.239 nan 8.230 nan 0.000 0.439 178 L N -0.409 120.842 121.223 0.046 0.000 2.068 178 L HA -0.032 4.306 4.340 -0.004 0.000 0.204 178 L C 2.672 179.551 176.870 0.015 0.000 1.076 178 L CA 1.621 56.482 54.840 0.034 0.000 0.753 178 L CB -0.400 41.694 42.059 0.060 0.000 0.910 178 L HN 0.106 nan 8.230 nan 0.000 0.439 179 A N -0.889 121.940 122.820 0.015 0.000 1.858 179 A HA -0.246 4.071 4.320 -0.004 0.000 0.216 179 A C 2.391 179.977 177.584 0.002 0.000 1.190 179 A CA 2.509 54.544 52.037 -0.003 0.000 0.617 179 A CB -1.444 17.548 19.000 -0.013 0.000 0.827 179 A HN 0.577 nan 8.150 nan 0.000 0.443 180 T N -2.257 112.301 114.554 0.007 0.000 2.720 180 T HA -0.051 4.296 4.350 -0.004 0.000 0.268 180 T C 1.940 176.634 174.700 -0.011 0.000 1.037 180 T CA 1.893 63.993 62.100 0.001 0.000 1.144 180 T CB -1.200 67.673 68.868 0.008 0.000 0.864 180 T HN 0.520 nan 8.240 nan 0.000 0.444 181 G N 1.500 110.291 108.800 -0.015 0.000 2.469 181 G HA2 -0.045 3.913 3.960 -0.004 0.000 0.219 181 G HA3 -0.045 3.913 3.960 -0.004 0.000 0.219 181 G C 1.892 176.778 174.900 -0.024 0.000 1.150 181 G CA 1.278 46.360 45.100 -0.031 0.000 0.763 181 G HN 0.825 nan 8.290 nan 0.000 0.561 182 A N 1.320 124.140 122.820 -0.001 0.000 1.828 182 A HA 0.246 4.564 4.320 -0.004 0.000 0.215 182 A C 2.906 180.508 177.584 0.030 0.000 1.203 182 A CA 2.723 54.777 52.037 0.028 0.000 0.614 182 A CB -1.255 17.783 19.000 0.063 0.000 0.844 182 A HN 1.018 nan 8.150 nan 0.000 0.445 183 A N -0.120 122.720 122.820 0.033 0.000 1.870 183 A HA -0.058 4.260 4.320 -0.004 0.000 0.219 183 A C 2.601 180.167 177.584 -0.032 0.000 1.224 183 A CA 3.434 55.478 52.037 0.011 0.000 0.650 183 A CB -1.527 17.461 19.000 -0.019 0.000 0.836 183 A HN 1.467 nan 8.150 nan 0.000 0.454 184 A N -0.962 121.836 122.820 -0.037 0.000 1.894 184 A HA -0.108 4.209 4.320 -0.004 0.000 0.220 184 A C 2.618 180.172 177.584 -0.049 0.000 1.237 184 A CA 2.981 54.992 52.037 -0.044 0.000 0.660 184 A CB -1.798 17.178 19.000 -0.041 0.000 0.835 184 A HN 1.188 nan 8.150 nan 0.000 0.461 185 G N -0.437 108.334 108.800 -0.049 0.000 2.586 185 G HA2 -0.256 3.701 3.960 -0.004 0.000 0.218 185 G HA3 -0.256 3.701 3.960 -0.004 0.000 0.218 185 G C 1.514 176.378 174.900 -0.060 0.000 1.216 185 G CA 1.472 46.536 45.100 -0.060 0.000 0.786 185 G HN 0.785 nan 8.290 nan 0.000 0.583 186 L N 1.449 122.637 121.223 -0.059 0.000 2.089 186 L HA -0.036 4.302 4.340 -0.004 0.000 0.213 186 L C 3.024 179.874 176.870 -0.033 0.000 1.079 186 L CA 2.403 57.190 54.840 -0.089 0.000 0.758 186 L CB -0.706 41.231 42.059 -0.204 0.000 0.891 186 L HN 0.306 nan 8.230 nan 0.000 0.433 187 A N -0.291 122.487 122.820 -0.070 0.000 1.824 187 A HA -0.071 4.247 4.320 -0.004 0.000 0.215 187 A C 2.461 179.972 177.584 -0.122 0.000 1.209 187 A CA 1.934 53.921 52.037 -0.084 0.000 0.614 187 A CB -1.552 17.391 19.000 -0.095 0.000 0.852 187 A HN 0.582 nan 8.150 nan 0.000 0.447 188 A N -0.426 122.318 122.820 -0.127 0.000 2.104 188 A HA 0.003 4.321 4.320 -0.004 0.000 0.223 188 A C 2.344 179.744 177.584 -0.308 0.000 1.164 188 A CA 2.482 54.402 52.037 -0.195 0.000 0.659 188 A CB -0.995 17.988 19.000 -0.027 0.000 0.808 188 A HN 1.147 nan 8.150 nan 0.000 0.465 189 A N -0.854 121.862 122.820 -0.174 0.000 1.832 189 A HA 0.147 4.464 4.320 -0.004 0.000 0.214 189 A C 1.469 178.851 177.584 -0.337 0.000 1.200 189 A CA 1.393 53.296 52.037 -0.222 0.000 0.610 189 A CB -0.585 18.291 19.000 -0.207 0.000 0.842 189 A HN 0.519 nan 8.150 nan 0.000 0.444 190 F N -0.339 119.469 119.950 -0.237 0.000 2.645 190 F HA 0.233 4.757 4.527 -0.005 0.000 0.300 190 F C 0.839 176.455 175.800 -0.306 0.000 1.115 190 F CA -0.096 57.783 58.000 -0.201 0.000 1.355 190 F CB -1.125 37.795 39.000 -0.133 0.000 1.026 190 F HN 0.443 nan 8.300 nan 0.000 0.536 191 N N 1.195 119.665 118.700 -0.383 0.000 2.716 191 N HA -0.237 4.500 4.740 -0.004 0.000 0.250 191 N C -0.664 174.770 175.510 -0.126 0.000 1.033 191 N CA 0.724 53.516 53.050 -0.430 0.000 0.727 191 N CB -0.736 37.561 38.487 -0.316 0.000 0.950 191 N HN 0.332 nan 8.380 nan 0.000 0.541 192 A N -0.069 122.696 122.820 -0.091 0.000 2.545 192 A HA 0.511 4.828 4.320 -0.004 0.000 0.300 192 A C -1.336 176.179 177.584 -0.114 0.000 1.252 192 A CA -0.940 51.046 52.037 -0.085 0.000 0.753 192 A CB 1.314 20.251 19.000 -0.105 0.000 1.144 192 A HN 0.241 nan 8.150 nan 0.000 0.457 193 P HA -0.165 nan 4.420 nan 0.000 0.213 193 P C 1.648 178.835 177.300 -0.189 0.000 1.170 193 P CA 0.857 63.871 63.100 -0.142 0.000 0.889 193 P CB 0.092 31.722 31.700 -0.118 0.000 0.782 194 L N -0.529 120.599 121.223 -0.158 0.000 2.103 194 L HA -0.248 4.090 4.340 -0.004 0.000 0.215 194 L C 2.804 179.589 176.870 -0.142 0.000 1.080 194 L CA 2.034 56.781 54.840 -0.155 0.000 0.764 194 L CB -1.323 40.688 42.059 -0.081 0.000 0.890 194 L HN 0.002 nan 8.230 nan 0.000 0.435 195 A N 0.295 123.029 122.820 -0.144 0.000 1.873 195 A HA -0.102 4.215 4.320 -0.004 0.000 0.215 195 A C 2.403 179.914 177.584 -0.121 0.000 1.186 195 A CA 1.564 53.509 52.037 -0.154 0.000 0.616 195 A CB -1.244 17.598 19.000 -0.263 0.000 0.823 195 A HN 0.444 nan 8.150 nan 0.000 0.442 196 G N -0.424 108.287 108.800 -0.148 0.000 2.516 196 G HA2 -0.153 3.805 3.960 -0.004 0.000 0.221 196 G HA3 -0.153 3.805 3.960 -0.004 0.000 0.221 196 G C 1.375 176.252 174.900 -0.038 0.000 1.107 196 G CA 1.224 46.271 45.100 -0.089 0.000 0.747 196 G HN 0.510 nan 8.290 nan 0.000 0.567 197 I N -0.536 119.968 120.570 -0.110 0.000 2.834 197 I HA 0.081 4.249 4.170 -0.004 0.000 0.239 197 I C 2.403 178.497 176.117 -0.038 0.000 1.073 197 I CA -0.177 61.052 61.300 -0.118 0.000 1.459 197 I CB -0.308 37.519 38.000 -0.289 0.000 1.288 197 I HN -0.058 nan 8.210 nan 0.000 0.455 198 L N 0.665 121.866 121.223 -0.036 0.000 2.171 198 L HA -0.299 4.039 4.340 -0.004 0.000 0.216 198 L C 2.541 179.430 176.870 0.032 0.000 1.084 198 L CA 2.176 57.014 54.840 -0.004 0.000 0.771 198 L CB -0.977 41.078 42.059 -0.006 0.000 0.890 198 L HN 0.265 nan 8.230 nan 0.000 0.437 199 F N 0.495 120.383 119.950 -0.102 0.000 2.022 199 F HA -0.224 4.301 4.527 -0.004 0.000 0.293 199 F C 2.385 178.144 175.800 -0.068 0.000 1.142 199 F CA 1.317 59.264 58.000 -0.089 0.000 1.177 199 F CB -0.578 38.351 39.000 -0.117 0.000 0.982 199 F HN -0.090 nan 8.300 nan 0.000 0.473 200 I N 1.178 121.642 120.570 -0.177 0.000 2.229 200 I HA -0.284 3.884 4.170 -0.004 0.000 0.250 200 I C 1.966 177.938 176.117 -0.242 0.000 1.096 200 I CA 1.701 62.847 61.300 -0.257 0.000 1.358 200 I CB -0.803 37.145 38.000 -0.086 0.000 1.047 200 I HN 0.392 nan 8.210 nan 0.000 0.422 201 I N -2.595 117.881 120.570 -0.158 0.000 3.862 201 I HA 0.221 4.389 4.170 -0.004 0.000 0.328 201 I C 1.115 177.152 176.117 -0.135 0.000 1.474 201 I CA 0.418 61.640 61.300 -0.130 0.000 1.215 201 I CB -0.280 37.679 38.000 -0.068 0.000 1.183 201 I HN 0.281 nan 8.210 nan 0.000 0.413 202 E N 0.480 120.566 120.200 -0.191 0.000 2.646 202 E HA -0.015 4.333 4.350 -0.004 0.000 0.207 202 E C 0.895 177.364 176.600 -0.218 0.000 0.922 202 E CA 0.269 56.572 56.400 -0.161 0.000 1.482 202 E CB 0.687 30.329 29.700 -0.096 0.000 1.509 202 E HN 0.541 nan 8.360 nan 0.000 0.831 203 E N -0.388 119.598 120.200 -0.356 0.000 3.762 203 E HA 0.138 4.486 4.350 -0.004 0.000 0.198 203 E C 1.708 178.104 176.600 -0.339 0.000 1.298 203 E CA 0.495 56.673 56.400 -0.370 0.000 1.439 203 E CB -0.234 29.146 29.700 -0.534 0.000 2.030 203 E HN 0.001 nan 8.360 nan 0.000 0.547 204 M N 1.315 120.618 119.600 -0.495 0.000 2.113 204 M HA -0.176 4.301 4.480 -0.004 0.000 0.255 204 M C 1.271 177.455 176.300 -0.194 0.000 1.073 204 M CA 1.293 56.423 55.300 -0.283 0.000 1.091 204 M CB -1.341 31.082 32.600 -0.295 0.000 1.309 204 M HN 0.158 nan 8.290 nan 0.000 0.407 205 R N 2.846 123.216 120.500 -0.217 0.000 2.500 205 R HA -0.048 4.289 4.340 -0.004 0.000 0.281 205 R C -2.192 174.015 176.300 -0.155 0.000 0.953 205 R CA -0.660 55.333 56.100 -0.178 0.000 1.108 205 R CB -0.157 30.036 30.300 -0.177 0.000 0.901 205 R HN 0.075 nan 8.270 nan 0.000 0.410 206 P HA -0.090 nan 4.420 nan 0.000 0.255 206 P C -0.440 176.800 177.300 -0.100 0.000 1.173 206 P CA 0.389 63.450 63.100 -0.065 0.000 0.780 206 P CB 0.664 32.331 31.700 -0.055 0.000 0.758 207 Q N 2.288 121.988 119.800 -0.167 0.000 2.437 207 Q HA -0.058 4.280 4.340 -0.004 0.000 0.210 207 Q C 0.406 175.918 176.000 -0.813 0.000 0.972 207 Q CA 1.640 57.114 55.803 -0.548 0.000 0.903 207 Q CB -0.364 27.876 28.738 -0.830 0.000 0.967 207 Q HN 0.491 nan 8.270 nan 0.000 0.486 208 F N -1.017 118.929 119.950 -0.006 0.000 2.798 208 F HA 0.305 4.829 4.527 -0.004 0.000 0.328 208 F C -0.130 175.687 175.800 0.029 0.000 1.098 208 F CA -0.571 57.436 58.000 0.012 0.000 1.172 208 F CB 0.560 39.568 39.000 0.014 0.000 1.072 208 F HN -0.147 nan 8.300 nan 0.000 0.555 209 R N -1.019 119.574 120.500 0.156 0.000 2.548 209 R HA 0.325 4.662 4.340 -0.004 0.000 0.280 209 R C -1.064 175.312 176.300 0.127 0.000 1.061 209 R CA -0.942 55.248 56.100 0.150 0.000 0.915 209 R CB 0.602 30.996 30.300 0.155 0.000 1.210 209 R HN 0.015 nan 8.270 nan 0.000 0.442 210 Y N 2.372 122.699 120.300 0.044 0.000 3.073 210 Y HA -0.082 4.466 4.550 -0.004 0.000 0.344 210 Y C -0.683 175.249 175.900 0.054 0.000 1.277 210 Y CA 1.627 59.749 58.100 0.036 0.000 1.534 210 Y CB 0.650 39.130 38.460 0.033 0.000 1.273 210 Y HN 0.788 nan 8.280 nan 0.000 0.633 211 T N 6.235 120.347 114.554 -0.736 0.000 2.901 211 T HA 0.374 4.722 4.350 -0.004 0.000 0.293 211 T C -0.381 174.073 174.700 -0.411 0.000 1.084 211 T CA -0.913 60.977 62.100 -0.350 0.000 1.008 211 T CB 1.279 70.051 68.868 -0.159 0.000 1.170 211 T HN 0.441 nan 8.240 nan 0.000 0.509 212 L N 1.008 122.207 121.223 -0.040 0.000 2.888 212 L HA 0.408 4.745 4.340 -0.004 0.000 0.237 212 L C -0.092 176.792 176.870 0.024 0.000 1.288 212 L CA 0.371 55.220 54.840 0.015 0.000 1.110 212 L CB -1.145 40.943 42.059 0.049 0.000 1.441 212 L HN 0.469 nan 8.230 nan 0.000 0.474 213 I N -0.395 120.159 120.570 -0.027 0.000 2.312 213 I HA 0.104 4.272 4.170 -0.004 0.000 0.291 213 I C 0.792 176.907 176.117 -0.002 0.000 1.031 213 I CA -0.096 61.205 61.300 0.002 0.000 1.293 213 I CB 1.137 39.122 38.000 -0.024 0.000 1.403 213 I HN 0.096 nan 8.210 nan 0.000 0.484 214 S N 7.139 122.856 115.700 0.028 0.000 2.423 214 S HA 0.170 4.637 4.470 -0.004 0.000 0.302 214 S C 1.605 176.236 174.600 0.052 0.000 1.143 214 S CA -0.669 57.553 58.200 0.037 0.000 1.080 214 S CB 0.005 63.232 63.200 0.044 0.000 1.081 214 S HN 0.442 nan 8.310 nan 0.000 0.522 215 I N 5.198 125.800 120.570 0.054 0.000 2.065 215 I HA -0.268 3.900 4.170 -0.004 0.000 0.236 215 I C 2.559 178.772 176.117 0.161 0.000 1.028 215 I CA 1.840 63.203 61.300 0.105 0.000 1.299 215 I CB -1.204 36.853 38.000 0.096 0.000 1.015 215 I HN 0.743 nan 8.210 nan 0.000 0.396 216 K N 0.574 121.024 120.400 0.083 0.000 2.144 216 K HA -0.268 4.049 4.320 -0.004 0.000 0.209 216 K C 2.071 178.740 176.600 0.115 0.000 1.047 216 K CA 2.002 58.318 56.287 0.048 0.000 0.927 216 K CB -0.106 32.379 32.500 -0.025 0.000 0.716 216 K HN 0.398 nan 8.250 nan 0.000 0.454 217 A N 0.497 123.372 122.820 0.092 0.000 1.883 217 A HA -0.137 4.180 4.320 -0.004 0.000 0.217 217 A C 2.238 179.880 177.584 0.097 0.000 1.186 217 A CA 1.848 53.934 52.037 0.081 0.000 0.624 217 A CB -0.689 18.348 19.000 0.062 0.000 0.822 217 A HN 0.176 nan 8.150 nan 0.000 0.444 218 V N -1.115 118.865 119.914 0.111 0.000 2.220 218 V HA -0.287 3.830 4.120 -0.004 0.000 0.246 218 V C 2.216 178.373 176.094 0.105 0.000 1.049 218 V CA 2.288 64.637 62.300 0.082 0.000 1.003 218 V CB -1.174 30.687 31.823 0.064 0.000 0.634 218 V HN 0.528 nan 8.190 nan 0.000 0.444 219 F N 0.034 119.982 119.950 -0.003 0.000 2.037 219 F HA -0.319 4.206 4.527 -0.004 0.000 0.296 219 F C 2.308 178.106 175.800 -0.004 0.000 1.132 219 F CA 2.504 60.503 58.000 -0.002 0.000 1.211 219 F CB -0.710 38.289 39.000 -0.001 0.000 0.951 219 F HN 0.028 nan 8.300 nan 0.000 0.503 220 I N -0.414 120.293 120.570 0.228 0.000 2.181 220 I HA -0.375 3.793 4.170 -0.004 0.000 0.247 220 I C 2.643 178.792 176.117 0.053 0.000 1.081 220 I CA 1.595 62.963 61.300 0.112 0.000 1.340 220 I CB -1.402 36.641 38.000 0.071 0.000 1.036 220 I HN 0.336 nan 8.210 nan 0.000 0.417 221 G N 0.653 109.477 108.800 0.039 0.000 2.484 221 G HA2 -0.188 3.769 3.960 -0.004 0.000 0.215 221 G HA3 -0.188 3.769 3.960 -0.004 0.000 0.215 221 G C 1.660 176.553 174.900 -0.013 0.000 1.219 221 G CA 1.055 46.155 45.100 0.000 0.000 0.791 221 G HN 0.229 nan 8.290 nan 0.000 0.550 222 V N 1.506 121.400 119.914 -0.033 0.000 2.222 222 V HA -0.306 3.812 4.120 -0.004 0.000 0.252 222 V C 2.763 178.835 176.094 -0.036 0.000 1.060 222 V CA 2.110 64.368 62.300 -0.069 0.000 1.027 222 V CB -0.720 31.005 31.823 -0.165 0.000 0.644 222 V HN 0.422 nan 8.190 nan 0.000 0.448 223 I N -0.945 119.618 120.570 -0.013 0.000 2.065 223 I HA -0.399 3.768 4.170 -0.004 0.000 0.236 223 I C 2.672 178.806 176.117 0.028 0.000 1.028 223 I CA 2.126 63.440 61.300 0.023 0.000 1.299 223 I CB -0.500 37.538 38.000 0.063 0.000 1.015 223 I HN 0.299 nan 8.210 nan 0.000 0.396 224 M N 0.652 120.266 119.600 0.023 0.000 2.153 224 M HA -0.268 4.210 4.480 -0.004 0.000 0.253 224 M C 2.535 178.854 176.300 0.031 0.000 1.081 224 M CA 2.514 57.825 55.300 0.017 0.000 1.076 224 M CB -1.702 30.891 32.600 -0.011 0.000 1.350 224 M HN 0.567 nan 8.290 nan 0.000 0.401 225 S N -1.450 114.264 115.700 0.025 0.000 2.356 225 S HA -0.065 4.402 4.470 -0.004 0.000 0.219 225 S C 1.910 176.567 174.600 0.096 0.000 1.036 225 S CA 1.450 59.676 58.200 0.044 0.000 0.965 225 S CB -0.879 62.326 63.200 0.008 0.000 0.864 225 S HN 0.436 nan 8.310 nan 0.000 0.471 226 T N 2.784 117.380 114.554 0.070 0.000 2.685 226 T HA -0.078 4.269 4.350 -0.004 0.000 0.268 226 T C 1.641 176.447 174.700 0.178 0.000 1.034 226 T CA 1.744 63.911 62.100 0.113 0.000 1.149 226 T CB -0.586 68.314 68.868 0.053 0.000 0.860 226 T HN 0.267 nan 8.240 nan 0.000 0.449 227 I N 0.867 121.509 120.570 0.119 0.000 2.142 227 I HA -0.120 4.048 4.170 -0.004 0.000 0.240 227 I C 2.372 178.574 176.117 0.142 0.000 1.078 227 I CA 1.251 62.616 61.300 0.109 0.000 1.343 227 I CB -0.488 37.554 38.000 0.070 0.000 1.046 227 I HN 0.185 nan 8.210 nan 0.000 0.405 228 M N -1.112 118.583 119.600 0.159 0.000 2.144 228 M HA -0.275 4.202 4.480 -0.004 0.000 0.260 228 M C 2.435 178.935 176.300 0.334 0.000 1.067 228 M CA 1.828 57.266 55.300 0.230 0.000 1.095 228 M CB -1.407 31.295 32.600 0.170 0.000 1.365 228 M HN 0.365 nan 8.290 nan 0.000 0.406 229 Y N 0.792 121.182 120.300 0.150 0.000 2.220 229 Y HA -0.078 4.469 4.550 -0.005 0.000 0.291 229 Y C 2.369 178.368 175.900 0.164 0.000 1.129 229 Y CA 1.498 59.685 58.100 0.145 0.000 1.161 229 Y CB -0.134 38.368 38.460 0.070 0.000 0.997 229 Y HN 0.046 nan 8.280 nan 0.000 0.522 230 R N 0.267 120.840 120.500 0.123 0.000 2.152 230 R HA -0.114 4.223 4.340 -0.004 0.000 0.232 230 R C 1.964 178.232 176.300 -0.053 0.000 1.117 230 R CA 1.111 57.216 56.100 0.009 0.000 0.981 230 R CB -0.436 29.933 30.300 0.115 0.000 0.870 230 R HN 0.428 nan 8.270 nan 0.000 0.451 231 I N -0.031 120.516 120.570 -0.038 0.000 2.454 231 I HA -0.213 3.955 4.170 -0.004 0.000 0.254 231 I C 1.208 176.988 176.117 -0.561 0.000 1.156 231 I CA 1.500 62.632 61.300 -0.281 0.000 1.433 231 I CB -0.572 37.174 38.000 -0.422 0.000 1.082 231 I HN 0.006 nan 8.210 nan 0.000 0.432 232 F N -0.751 119.054 119.950 -0.241 0.000 2.706 232 F HA 0.284 4.808 4.527 -0.005 0.000 0.313 232 F C 1.335 176.841 175.800 -0.490 0.000 1.096 232 F CA -0.152 57.657 58.000 -0.318 0.000 1.219 232 F CB -0.257 38.621 39.000 -0.204 0.000 1.051 232 F HN -0.016 nan 8.300 nan 0.000 0.568 233 N N -0.189 118.234 118.700 -0.462 0.000 2.240 233 N HA 0.021 4.758 4.740 -0.004 0.000 0.240 233 N C 0.100 175.400 175.510 -0.351 0.000 1.277 233 N CA 0.035 52.766 53.050 -0.533 0.000 0.873 233 N CB 0.329 38.208 38.487 -1.014 0.000 1.222 233 N HN 0.337 nan 8.380 nan 0.000 0.507 234 H N 0.402 119.387 119.070 -0.143 0.000 2.540 234 H HA 0.112 4.666 4.556 -0.005 0.000 0.383 234 H C 0.671 175.975 175.328 -0.040 0.000 1.859 234 H CA 0.375 56.380 56.048 -0.072 0.000 1.451 234 H CB 0.061 29.782 29.762 -0.068 0.000 1.584 234 H HN -0.004 nan 8.280 nan 0.000 0.575 235 E N -2.276 118.072 120.200 0.246 0.000 3.208 235 E HA -0.202 4.146 4.350 -0.004 0.000 0.277 235 E C -1.034 175.621 176.600 0.093 0.000 0.989 235 E CA 1.155 57.642 56.400 0.145 0.000 0.850 235 E CB -0.778 29.017 29.700 0.159 0.000 1.429 235 E HN 0.367 nan 8.360 nan 0.000 0.463 236 V N -0.724 119.236 119.914 0.077 0.000 2.789 236 V HA 0.559 4.677 4.120 -0.004 0.000 0.300 236 V C -0.066 176.060 176.094 0.053 0.000 1.184 236 V CA -0.169 62.161 62.300 0.049 0.000 0.930 236 V CB 1.804 33.646 31.823 0.032 0.000 1.041 236 V HN 0.215 nan 8.190 nan 0.000 0.430 237 A N 3.666 126.509 122.820 0.039 0.000 2.239 237 A HA 0.828 5.145 4.320 -0.004 0.000 0.303 237 A C 0.717 178.297 177.584 -0.007 0.000 1.114 237 A CA -0.371 51.686 52.037 0.034 0.000 0.871 237 A CB 0.667 19.676 19.000 0.016 0.000 1.201 237 A HN 0.870 nan 8.150 nan 0.000 0.506 238 L N -0.726 120.460 121.223 -0.063 0.000 2.375 238 L HA 0.280 4.617 4.340 -0.004 0.000 0.215 238 L C -0.125 176.600 176.870 -0.241 0.000 1.108 238 L CA 0.782 55.504 54.840 -0.198 0.000 0.830 238 L CB -0.128 41.707 42.059 -0.372 0.000 0.959 238 L HN 0.494 nan 8.230 nan 0.000 0.457 239 I N -1.619 118.862 120.570 -0.149 0.000 2.994 239 I HA 0.281 4.449 4.170 -0.004 0.000 0.306 239 I C -1.172 174.921 176.117 -0.040 0.000 1.195 239 I CA -0.526 60.714 61.300 -0.100 0.000 1.001 239 I CB 2.743 40.682 38.000 -0.100 0.000 1.244 239 I HN -0.261 nan 8.210 nan 0.000 0.437 240 D N 2.769 123.160 120.400 -0.016 0.000 3.285 240 D HA 0.158 4.796 4.640 -0.004 0.000 0.273 240 D C 0.299 176.603 176.300 0.007 0.000 1.295 240 D CA 0.009 54.008 54.000 -0.002 0.000 0.762 240 D CB 1.072 41.872 40.800 0.001 0.000 1.379 240 D HN 0.177 nan 8.370 nan 0.000 0.612 241 V N 0.564 120.485 119.914 0.011 0.000 2.913 241 V HA 0.170 4.287 4.120 -0.004 0.000 0.260 241 V C 1.495 177.600 176.094 0.019 0.000 1.098 241 V CA 1.223 63.535 62.300 0.019 0.000 1.121 241 V CB -1.123 30.716 31.823 0.027 0.000 0.714 241 V HN 0.707 nan 8.190 nan 0.000 0.487 242 G N 0.664 109.473 108.800 0.015 0.000 2.757 242 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.686 242 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.686 242 G C -0.424 174.487 174.900 0.019 0.000 1.452 242 G CA -0.262 44.847 45.100 0.016 0.000 0.922 242 G HN 0.423 nan 8.290 nan 0.000 0.588 243 K N 0.863 121.273 120.400 0.018 0.000 2.405 243 K HA 0.232 4.550 4.320 -0.004 0.000 0.273 243 K C 1.334 177.948 176.600 0.023 0.000 1.116 243 K CA 0.315 56.614 56.287 0.019 0.000 1.155 243 K CB -0.242 32.269 32.500 0.018 0.000 0.858 243 K HN 0.463 nan 8.250 nan 0.000 0.477 244 L N 2.267 123.504 121.223 0.024 0.000 2.490 244 L HA 0.230 4.568 4.340 -0.004 0.000 0.245 244 L C 1.240 178.130 176.870 0.033 0.000 1.185 244 L CA -0.548 54.313 54.840 0.035 0.000 0.813 244 L CB 0.685 42.769 42.059 0.041 0.000 1.233 244 L HN 0.808 nan 8.230 nan 0.000 0.489 245 S N -0.999 114.731 115.700 0.049 0.000 2.587 245 S HA 0.117 4.584 4.470 -0.004 0.000 0.252 245 S C -0.419 174.197 174.600 0.027 0.000 1.282 245 S CA -0.557 57.671 58.200 0.047 0.000 0.977 245 S CB 0.582 63.826 63.200 0.073 0.000 1.015 245 S HN 0.530 nan 8.310 nan 0.000 0.557 246 D N -0.335 120.079 120.400 0.023 0.000 2.616 246 D HA 0.774 5.411 4.640 -0.004 0.000 0.260 246 D C -0.929 175.366 176.300 -0.008 0.000 1.158 246 D CA -0.233 53.762 54.000 -0.009 0.000 1.085 246 D CB 1.415 42.208 40.800 -0.011 0.000 1.222 246 D HN 0.846 nan 8.370 nan 0.000 0.626 247 A N 0.953 123.742 122.820 -0.052 0.000 2.411 247 A HA 0.565 4.883 4.320 -0.004 0.000 0.285 247 A C -2.630 174.918 177.584 -0.061 0.000 1.129 247 A CA -1.144 50.862 52.037 -0.051 0.000 0.736 247 A CB 0.920 19.827 19.000 -0.155 0.000 1.186 247 A HN 0.340 nan 8.150 nan 0.000 0.445 248 P HA 0.206 nan 4.420 nan 0.000 0.271 248 P C 0.934 178.194 177.300 -0.066 0.000 1.218 248 P CA -0.376 62.694 63.100 -0.051 0.000 0.780 248 P CB 0.788 32.461 31.700 -0.046 0.000 0.901 249 L N 1.201 122.392 121.223 -0.053 0.000 2.263 249 L HA -0.201 4.136 4.340 -0.004 0.000 0.216 249 L C 1.952 178.808 176.870 -0.024 0.000 1.111 249 L CA 1.490 56.308 54.840 -0.036 0.000 0.773 249 L CB -1.106 40.937 42.059 -0.026 0.000 0.906 249 L HN 0.514 nan 8.230 nan 0.000 0.439 250 N N -0.235 118.415 118.700 -0.083 0.000 2.461 250 N HA -0.103 4.634 4.740 -0.004 0.000 0.188 250 N C 1.159 176.501 175.510 -0.279 0.000 1.134 250 N CA 1.253 54.224 53.050 -0.132 0.000 0.878 250 N CB -0.275 38.114 38.487 -0.163 0.000 0.972 250 N HN 0.406 nan 8.380 nan 0.000 0.456 251 T N -3.360 111.068 114.554 -0.211 0.000 3.145 251 T HA 0.326 4.673 4.350 -0.004 0.000 0.281 251 T C 1.454 176.181 174.700 0.044 0.000 1.003 251 T CA -0.452 61.511 62.100 -0.229 0.000 0.901 251 T CB -0.300 68.458 68.868 -0.183 0.000 1.112 251 T HN -0.008 nan 8.240 nan 0.000 0.535 252 L N 0.620 121.930 121.223 0.146 0.000 2.005 252 L HA 0.067 4.404 4.340 -0.004 0.000 0.207 252 L C 2.988 179.996 176.870 0.230 0.000 1.072 252 L CA 1.721 56.670 54.840 0.183 0.000 0.744 252 L CB -0.553 41.566 42.059 0.099 0.000 0.895 252 L HN 0.571 nan 8.230 nan 0.000 0.433 253 W N 0.539 121.874 121.300 0.058 0.000 2.313 253 W HA -0.247 4.411 4.660 -0.003 0.000 0.293 253 W C 1.760 178.346 176.519 0.112 0.000 1.216 253 W CA 0.845 58.233 57.345 0.072 0.000 1.223 253 W CB -1.465 28.029 29.460 0.057 0.000 1.138 253 W HN 0.179 nan 8.180 nan 0.000 0.535 254 L N -0.053 120.722 121.223 -0.745 0.000 2.079 254 L HA -0.265 4.072 4.340 -0.004 0.000 0.210 254 L C 2.632 179.342 176.870 -0.266 0.000 1.081 254 L CA 1.905 56.371 54.840 -0.623 0.000 0.752 254 L CB -1.114 40.650 42.059 -0.491 0.000 0.896 254 L HN -0.080 nan 8.230 nan 0.000 0.433 255 Y N -0.919 119.286 120.300 -0.158 0.000 2.439 255 Y HA -0.194 4.354 4.550 -0.004 0.000 0.292 255 Y C 2.166 177.969 175.900 -0.162 0.000 1.130 255 Y CA 0.520 58.495 58.100 -0.209 0.000 1.254 255 Y CB -0.235 38.057 38.460 -0.281 0.000 1.000 255 Y HN 0.099 nan 8.280 nan 0.000 0.554 256 L N -0.180 121.069 121.223 0.044 0.000 2.005 256 L HA -0.164 4.173 4.340 -0.004 0.000 0.207 256 L C 2.049 178.925 176.870 0.010 0.000 1.072 256 L CA 1.549 56.417 54.840 0.048 0.000 0.744 256 L CB -0.906 41.227 42.059 0.123 0.000 0.895 256 L HN 0.055 nan 8.230 nan 0.000 0.433 257 I N -0.141 120.443 120.570 0.023 0.000 2.068 257 I HA -0.336 3.831 4.170 -0.004 0.000 0.238 257 I C 2.640 178.661 176.117 -0.160 0.000 1.046 257 I CA 1.937 63.251 61.300 0.022 0.000 1.306 257 I CB -1.578 36.497 38.000 0.125 0.000 1.023 257 I HN 0.407 nan 8.210 nan 0.000 0.399 258 L N 1.231 122.140 121.223 -0.523 0.000 2.081 258 L HA -0.157 4.181 4.340 -0.004 0.000 0.212 258 L C 2.379 179.160 176.870 -0.149 0.000 1.080 258 L CA 2.329 56.717 54.840 -0.753 0.000 0.754 258 L CB -1.019 40.462 42.059 -0.963 0.000 0.893 258 L HN 0.263 nan 8.230 nan 0.000 0.433 259 G N -0.155 108.584 108.800 -0.101 0.000 2.421 259 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.216 259 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.216 259 G C 1.564 176.499 174.900 0.058 0.000 1.171 259 G CA 1.175 46.265 45.100 -0.017 0.000 0.775 259 G HN 0.506 nan 8.290 nan 0.000 0.543 260 I N 0.767 121.359 120.570 0.037 0.000 2.208 260 I HA -0.181 3.986 4.170 -0.004 0.000 0.245 260 I C 2.670 178.837 176.117 0.083 0.000 1.097 260 I CA 0.879 62.217 61.300 0.064 0.000 1.363 260 I CB -0.290 37.756 38.000 0.076 0.000 1.051 260 I HN 0.160 nan 8.210 nan 0.000 0.413 261 I N 0.047 120.652 120.570 0.059 0.000 2.226 261 I HA -0.301 3.867 4.170 -0.004 0.000 0.245 261 I C 2.450 178.603 176.117 0.061 0.000 1.100 261 I CA 1.701 63.024 61.300 0.037 0.000 1.374 261 I CB -0.436 37.538 38.000 -0.043 0.000 1.057 261 I HN 0.089 nan 8.210 nan 0.000 0.413 262 F N 1.201 121.144 119.950 -0.012 0.000 2.171 262 F HA -0.115 4.409 4.527 -0.005 0.000 0.300 262 F C 2.557 178.383 175.800 0.043 0.000 1.090 262 F CA 1.594 59.617 58.000 0.038 0.000 1.293 262 F CB -0.859 38.122 39.000 -0.032 0.000 1.013 262 F HN 0.025 nan 8.300 nan 0.000 0.486 263 G N 0.468 109.382 108.800 0.190 0.000 2.432 263 G HA2 -0.233 3.725 3.960 -0.004 0.000 0.219 263 G HA3 -0.233 3.725 3.960 -0.004 0.000 0.219 263 G C 1.636 176.580 174.900 0.073 0.000 1.135 263 G CA 1.201 46.356 45.100 0.092 0.000 0.767 263 G HN 0.547 nan 8.290 nan 0.000 0.550 264 I N -3.439 117.189 120.570 0.097 0.000 2.585 264 I HA 0.314 4.481 4.170 -0.004 0.000 0.254 264 I C 2.337 178.501 176.117 0.077 0.000 1.129 264 I CA 0.447 61.800 61.300 0.088 0.000 1.455 264 I CB -0.214 37.850 38.000 0.106 0.000 1.111 264 I HN 0.013 nan 8.210 nan 0.000 0.433 265 F N 2.869 122.796 119.950 -0.038 0.000 2.661 265 F HA 0.331 4.856 4.527 -0.002 0.000 0.298 265 F C 2.077 177.831 175.800 -0.077 0.000 1.137 265 F CA 0.591 58.538 58.000 -0.088 0.000 1.454 265 F CB -0.310 38.609 39.000 -0.135 0.000 1.103 265 F HN 0.057 nan 8.300 nan 0.000 0.577 266 G N 1.845 110.550 108.800 -0.157 0.000 2.433 266 G HA2 -0.201 3.756 3.960 -0.004 0.000 0.216 266 G HA3 -0.201 3.756 3.960 -0.004 0.000 0.216 266 G C -0.544 174.224 174.900 -0.219 0.000 1.186 266 G CA 0.929 45.927 45.100 -0.170 0.000 0.779 266 G HN 0.341 nan 8.290 nan 0.000 0.543 267 P HA 0.001 nan 4.420 nan 0.000 0.217 267 P C 2.051 179.214 177.300 -0.228 0.000 1.151 267 P CA 0.742 63.765 63.100 -0.129 0.000 0.828 267 P CB 0.003 31.671 31.700 -0.054 0.000 0.788 268 I N -0.895 119.473 120.570 -0.337 0.000 2.099 268 I HA -0.264 3.904 4.170 -0.004 0.000 0.239 268 I C 2.529 178.071 176.117 -0.957 0.000 1.066 268 I CA 1.591 62.592 61.300 -0.498 0.000 1.324 268 I CB -0.903 36.819 38.000 -0.463 0.000 1.037 268 I HN -0.168 nan 8.210 nan 0.000 0.401 269 F N 1.910 121.078 119.950 -1.302 0.000 2.236 269 F HA -0.251 4.273 4.527 -0.004 0.000 0.302 269 F C 2.087 177.580 175.800 -0.512 0.000 1.073 269 F CA 1.765 59.075 58.000 -1.151 0.000 1.336 269 F CB -0.637 37.701 39.000 -1.103 0.000 1.040 269 F HN 0.120 nan 8.300 nan 0.000 0.507 270 N N -0.342 118.133 118.700 -0.374 0.000 2.216 270 N HA -0.147 4.591 4.740 -0.004 0.000 0.183 270 N C 1.743 177.177 175.510 -0.128 0.000 1.017 270 N CA 0.774 53.713 53.050 -0.186 0.000 0.861 270 N CB 0.016 38.458 38.487 -0.075 0.000 0.986 270 N HN 0.300 nan 8.380 nan 0.000 0.428 271 K N 0.436 120.769 120.400 -0.111 0.000 1.991 271 K HA -0.163 4.155 4.320 -0.004 0.000 0.212 271 K C 1.780 178.477 176.600 0.162 0.000 1.049 271 K CA 1.411 57.733 56.287 0.059 0.000 0.932 271 K CB -0.184 32.408 32.500 0.153 0.000 0.717 271 K HN 0.203 nan 8.250 nan 0.000 0.441 272 W N 0.661 121.870 121.300 -0.152 0.000 2.292 272 W HA -0.244 4.413 4.660 -0.006 0.000 0.330 272 W C 2.248 178.651 176.519 -0.194 0.000 1.264 272 W CA 0.585 57.827 57.345 -0.172 0.000 1.235 272 W CB -1.565 27.757 29.460 -0.229 0.000 1.164 272 W HN -0.018 nan 8.180 nan 0.000 0.461 273 V N 0.647 120.502 119.914 -0.098 0.000 2.277 273 V HA -0.335 3.783 4.120 -0.004 0.000 0.253 273 V C 2.191 178.301 176.094 0.026 0.000 1.067 273 V CA 2.355 64.608 62.300 -0.078 0.000 1.047 273 V CB -0.984 30.757 31.823 -0.137 0.000 0.649 273 V HN 0.113 nan 8.190 nan 0.000 0.447 274 L N 0.906 122.143 121.223 0.023 0.000 1.925 274 L HA 0.094 4.431 4.340 -0.004 0.000 0.215 274 L C 2.700 179.589 176.870 0.031 0.000 1.082 274 L CA 2.634 57.494 54.840 0.033 0.000 0.764 274 L CB -1.814 40.264 42.059 0.033 0.000 0.887 274 L HN 0.391 nan 8.230 nan 0.000 0.432 275 G N -1.043 107.783 108.800 0.043 0.000 2.513 275 G HA2 -0.407 3.550 3.960 -0.004 0.000 0.219 275 G HA3 -0.407 3.550 3.960 -0.004 0.000 0.219 275 G C 1.607 176.521 174.900 0.024 0.000 1.160 275 G CA 1.349 46.468 45.100 0.032 0.000 0.767 275 G HN 0.392 nan 8.290 nan 0.000 0.571 276 M N 1.541 121.162 119.600 0.034 0.000 2.195 276 M HA -0.164 4.314 4.480 -0.004 0.000 0.260 276 M C 2.589 178.916 176.300 0.044 0.000 1.066 276 M CA 2.269 57.586 55.300 0.028 0.000 1.089 276 M CB -0.519 32.105 32.600 0.041 0.000 1.377 276 M HN 0.592 nan 8.290 nan 0.000 0.411 277 Q N -1.795 118.030 119.800 0.043 0.000 2.435 277 Q HA -0.104 4.233 4.340 -0.004 0.000 0.207 277 Q C 0.777 176.815 176.000 0.062 0.000 0.956 277 Q CA 1.260 57.096 55.803 0.055 0.000 0.917 277 Q CB -0.185 28.559 28.738 0.010 0.000 0.997 277 Q HN 0.473 nan 8.270 nan 0.000 0.497 278 D N 1.453 121.872 120.400 0.033 0.000 2.214 278 D HA -0.061 4.576 4.640 -0.004 0.000 0.217 278 D C 1.907 178.228 176.300 0.034 0.000 0.973 278 D CA 0.539 54.551 54.000 0.019 0.000 0.880 278 D CB -0.209 40.589 40.800 -0.004 0.000 1.031 278 D HN 0.237 nan 8.370 nan 0.000 0.468 279 L N 0.788 122.019 121.223 0.013 0.000 2.450 279 L HA -0.089 4.248 4.340 -0.004 0.000 0.225 279 L C 1.726 178.596 176.870 0.001 0.000 1.145 279 L CA 0.705 55.542 54.840 -0.005 0.000 0.801 279 L CB 0.027 42.078 42.059 -0.014 0.000 0.924 279 L HN -0.010 nan 8.230 nan 0.000 0.447 280 L N -1.638 119.612 121.223 0.046 0.000 2.585 280 L HA -0.032 4.305 4.340 -0.004 0.000 0.226 280 L C 1.880 178.803 176.870 0.089 0.000 1.113 280 L CA -0.062 54.830 54.840 0.087 0.000 0.876 280 L CB -0.086 42.065 42.059 0.153 0.000 1.072 280 L HN 0.306 nan 8.230 nan 0.000 0.468 281 H N 0.095 119.071 119.070 -0.157 0.000 2.415 281 H HA -0.003 4.551 4.556 -0.004 0.000 0.297 281 H C 2.233 177.103 175.328 -0.764 0.000 1.048 281 H CA 1.268 56.996 56.048 -0.533 0.000 1.365 281 H CB 0.338 29.915 29.762 -0.308 0.000 1.421 281 H HN 0.013 nan 8.280 nan 0.000 0.533 282 R N -0.309 119.964 120.500 -0.379 0.000 2.080 282 R HA -0.115 4.222 4.340 -0.004 0.000 0.236 282 R C 2.363 178.425 176.300 -0.397 0.000 1.137 282 R CA 1.591 57.479 56.100 -0.354 0.000 0.943 282 R CB -0.763 29.434 30.300 -0.171 0.000 0.846 282 R HN 0.150 nan 8.270 nan 0.000 0.431 283 V N 1.718 121.467 119.914 -0.275 0.000 2.511 283 V HA -0.290 3.828 4.120 -0.004 0.000 0.257 283 V C 1.871 177.846 176.094 -0.198 0.000 1.088 283 V CA 2.315 64.515 62.300 -0.167 0.000 1.098 283 V CB -0.871 30.927 31.823 -0.042 0.000 0.674 283 V HN 0.617 nan 8.190 nan 0.000 0.470 284 H N -2.576 116.248 119.070 -0.410 0.000 3.440 284 H HA 0.308 4.861 4.556 -0.004 0.000 0.259 284 H C 1.817 176.854 175.328 -0.486 0.000 1.120 284 H CA 0.923 56.706 56.048 -0.442 0.000 1.191 284 H CB 0.390 29.787 29.762 -0.608 0.000 1.537 284 H HN 0.350 nan 8.280 nan 0.000 0.547 285 G N 1.257 109.476 108.800 -0.969 0.000 2.494 285 G HA2 -0.360 3.597 3.960 -0.004 0.000 0.252 285 G HA3 -0.360 3.597 3.960 -0.004 0.000 0.252 285 G C 1.277 175.744 174.900 -0.723 0.000 1.025 285 G CA 1.502 46.133 45.100 -0.781 0.000 0.638 285 G HN 1.452 nan 8.290 nan 0.000 0.544 286 G N -1.018 107.485 108.800 -0.496 0.000 2.321 286 G HA2 -0.010 3.947 3.960 -0.004 0.000 0.174 286 G HA3 -0.010 3.947 3.960 -0.004 0.000 0.174 286 G C -0.193 174.760 174.900 0.089 0.000 1.008 286 G CA 0.654 45.700 45.100 -0.090 0.000 0.739 286 G HN 1.386 nan 8.290 nan 0.000 0.502 287 N N 0.956 119.670 118.700 0.023 0.000 2.442 287 N HA 0.388 5.126 4.740 -0.004 0.000 0.265 287 N C 1.648 177.266 175.510 0.181 0.000 1.138 287 N CA -0.135 52.960 53.050 0.075 0.000 0.956 287 N CB 0.480 38.972 38.487 0.008 0.000 1.067 287 N HN 0.165 nan 8.380 nan 0.000 0.474 288 I N 2.433 123.121 120.570 0.196 0.000 2.185 288 I HA -0.341 3.826 4.170 -0.004 0.000 0.246 288 I C 1.041 177.253 176.117 0.157 0.000 1.088 288 I CA 1.440 62.876 61.300 0.227 0.000 1.347 288 I CB 0.039 38.135 38.000 0.160 0.000 1.041 288 I HN 0.636 nan 8.210 nan 0.000 0.415 289 T N -0.127 114.471 114.554 0.074 0.000 3.043 289 T HA -0.048 4.299 4.350 -0.004 0.000 0.263 289 T C 1.718 176.435 174.700 0.028 0.000 1.094 289 T CA 0.477 62.589 62.100 0.020 0.000 1.127 289 T CB 0.020 68.879 68.868 -0.015 0.000 0.905 289 T HN 0.296 nan 8.240 nan 0.000 0.490 290 K N -0.381 120.047 120.400 0.046 0.000 2.418 290 K HA 0.014 4.332 4.320 -0.004 0.000 0.195 290 K C 1.483 178.097 176.600 0.023 0.000 1.035 290 K CA 0.284 56.583 56.287 0.021 0.000 1.003 290 K CB 0.117 32.619 32.500 0.004 0.000 0.793 290 K HN 0.338 nan 8.250 nan 0.000 0.494 291 W N 0.506 121.728 121.300 -0.130 0.000 2.720 291 W HA -0.026 4.631 4.660 -0.005 0.000 0.301 291 W C 1.855 178.170 176.519 -0.339 0.000 1.097 291 W CA -0.062 57.088 57.345 -0.325 0.000 1.573 291 W CB -0.805 28.471 29.460 -0.308 0.000 1.160 291 W HN -0.345 nan 8.180 nan 0.000 0.520 292 V N 1.681 121.632 119.914 0.062 0.000 2.357 292 V HA -0.351 3.767 4.120 -0.004 0.000 0.257 292 V C 2.357 178.383 176.094 -0.113 0.000 1.082 292 V CA 1.988 64.249 62.300 -0.066 0.000 1.078 292 V CB -0.948 30.856 31.823 -0.032 0.000 0.663 292 V HN 0.135 nan 8.190 nan 0.000 0.455 293 L N -1.626 119.561 121.223 -0.061 0.000 2.109 293 L HA -0.137 4.201 4.340 -0.004 0.000 0.207 293 L C 2.358 179.190 176.870 -0.065 0.000 1.086 293 L CA 1.750 56.563 54.840 -0.045 0.000 0.760 293 L CB -0.369 41.680 42.059 -0.017 0.000 0.910 293 L HN 0.373 nan 8.230 nan 0.000 0.437 294 M N -0.437 119.111 119.600 -0.087 0.000 2.476 294 M HA -0.043 4.434 4.480 -0.004 0.000 0.262 294 M C 1.868 178.038 176.300 -0.217 0.000 1.079 294 M CA 1.287 56.535 55.300 -0.086 0.000 1.104 294 M CB -0.149 32.426 32.600 -0.042 0.000 1.409 294 M HN 0.215 nan 8.290 nan 0.000 0.467 295 G N -0.129 108.382 108.800 -0.482 0.000 2.505 295 G HA2 -0.149 3.809 3.960 -0.004 0.000 0.214 295 G HA3 -0.149 3.809 3.960 -0.004 0.000 0.214 295 G C 1.303 176.033 174.900 -0.285 0.000 1.237 295 G CA 0.655 45.177 45.100 -0.962 0.000 0.802 295 G HN 0.554 nan 8.290 nan 0.000 0.549 296 G N 0.734 109.443 108.800 -0.151 0.000 2.564 296 G HA2 0.124 4.082 3.960 -0.004 0.000 0.216 296 G HA3 0.124 4.082 3.960 -0.004 0.000 0.216 296 G C 1.730 176.543 174.900 -0.146 0.000 1.124 296 G CA 1.493 46.543 45.100 -0.083 0.000 0.764 296 G HN 0.680 nan 8.290 nan 0.000 0.550 297 A N 1.052 123.824 122.820 -0.080 0.000 1.843 297 A HA 0.137 4.455 4.320 -0.004 0.000 0.213 297 A C 2.314 179.877 177.584 -0.034 0.000 1.202 297 A CA 1.165 53.207 52.037 0.009 0.000 0.607 297 A CB -0.253 18.773 19.000 0.042 0.000 0.847 297 A HN 0.353 nan 8.150 nan 0.000 0.445 298 I N -0.189 120.369 120.570 -0.020 0.000 2.439 298 I HA -0.069 4.098 4.170 -0.004 0.000 0.251 298 I C 2.601 178.704 176.117 -0.024 0.000 1.139 298 I CA 0.884 62.195 61.300 0.019 0.000 1.438 298 I CB -0.956 37.090 38.000 0.076 0.000 1.085 298 I HN 0.336 nan 8.210 nan 0.000 0.427 299 G N 1.532 110.306 108.800 -0.044 0.000 2.511 299 G HA2 -0.204 3.753 3.960 -0.004 0.000 0.216 299 G HA3 -0.204 3.753 3.960 -0.004 0.000 0.216 299 G C 1.763 176.524 174.900 -0.233 0.000 1.218 299 G CA 0.955 46.018 45.100 -0.062 0.000 0.788 299 G HN 0.463 nan 8.290 nan 0.000 0.560 300 G N 0.798 109.270 108.800 -0.546 0.000 2.469 300 G HA2 -0.196 3.761 3.960 -0.004 0.000 0.219 300 G HA3 -0.196 3.761 3.960 -0.004 0.000 0.219 300 G C 1.793 176.287 174.900 -0.676 0.000 1.150 300 G CA 1.261 45.689 45.100 -1.119 0.000 0.763 300 G HN 0.489 nan 8.290 nan 0.000 0.561 301 L N 0.760 121.777 121.223 -0.344 0.000 2.013 301 L HA -0.119 4.219 4.340 -0.004 0.000 0.212 301 L C 2.792 179.680 176.870 0.031 0.000 1.073 301 L CA 1.959 56.816 54.840 0.028 0.000 0.753 301 L CB -1.080 41.027 42.059 0.080 0.000 0.890 301 L HN 0.264 nan 8.230 nan 0.000 0.432 302 C N 0.362 119.657 119.300 -0.009 0.000 2.413 302 C HA -0.096 4.362 4.460 -0.004 0.000 0.278 302 C C 2.823 177.833 174.990 0.034 0.000 1.224 302 C CA 0.845 59.878 59.018 0.025 0.000 1.732 302 C CB -2.046 25.707 27.740 0.021 0.000 2.050 302 C HN 0.787 nan 8.230 nan 0.000 0.463 303 G N -0.066 108.731 108.800 -0.005 0.000 2.517 303 G HA2 -0.272 3.685 3.960 -0.004 0.000 0.222 303 G HA3 -0.272 3.685 3.960 -0.004 0.000 0.222 303 G C 1.538 176.497 174.900 0.098 0.000 1.109 303 G CA 1.287 46.402 45.100 0.026 0.000 0.746 303 G HN 0.542 nan 8.290 nan 0.000 0.576 304 L N -0.355 120.935 121.223 0.112 0.000 2.049 304 L HA 0.226 4.563 4.340 -0.004 0.000 0.203 304 L C 2.650 179.604 176.870 0.140 0.000 1.074 304 L CA 0.973 55.908 54.840 0.158 0.000 0.749 304 L CB -0.217 41.961 42.059 0.200 0.000 0.907 304 L HN 0.161 nan 8.230 nan 0.000 0.439 305 L N 0.018 121.314 121.223 0.122 0.000 2.261 305 L HA -0.094 4.244 4.340 -0.004 0.000 0.216 305 L C 1.678 178.633 176.870 0.142 0.000 1.114 305 L CA 1.065 55.978 54.840 0.122 0.000 0.777 305 L CB -0.961 41.162 42.059 0.106 0.000 0.910 305 L HN 0.402 nan 8.230 nan 0.000 0.440 306 G N -1.556 107.332 108.800 0.147 0.000 3.581 306 G HA2 0.175 4.133 3.960 -0.004 0.000 0.255 306 G HA3 0.175 4.133 3.960 -0.004 0.000 0.255 306 G C -0.029 175.031 174.900 0.267 0.000 1.121 306 G CA -0.027 45.168 45.100 0.158 0.000 1.739 306 G HN 0.241 nan 8.290 nan 0.000 0.646 307 F N 0.334 120.318 119.950 0.058 0.000 2.619 307 F HA 0.002 4.526 4.527 -0.005 0.000 0.325 307 F C 0.223 176.065 175.800 0.070 0.000 1.046 307 F CA -0.291 57.739 58.000 0.050 0.000 0.888 307 F CB -0.426 38.586 39.000 0.019 0.000 1.808 307 F HN 0.433 nan 8.300 nan 0.000 0.450 308 V N -1.679 118.303 119.914 0.113 0.000 3.605 308 V HA 0.856 4.973 4.120 -0.004 0.000 0.262 308 V C 0.300 176.458 176.094 0.106 0.000 1.741 308 V CA 0.360 62.676 62.300 0.026 0.000 1.097 308 V CB 0.137 31.963 31.823 0.004 0.000 0.934 308 V HN 1.464 nan 8.190 nan 0.000 0.373 309 A N 0.128 123.043 122.820 0.159 0.000 1.829 309 A HA 0.534 4.852 4.320 -0.004 0.000 0.237 309 A C -2.027 175.667 177.584 0.183 0.000 1.992 309 A CA 0.399 52.557 52.037 0.201 0.000 1.945 309 A CB -0.627 18.544 19.000 0.285 0.000 0.649 309 A HN 0.207 nan 8.150 nan 0.000 0.921 310 P HA -0.195 nan 4.420 nan 0.000 0.218 310 P C 1.717 179.081 177.300 0.107 0.000 1.146 310 P CA 2.075 65.257 63.100 0.137 0.000 0.820 310 P CB 0.260 32.045 31.700 0.142 0.000 0.778 311 A N -0.850 122.035 122.820 0.109 0.000 2.259 311 A HA -0.128 4.190 4.320 -0.004 0.000 0.212 311 A C 1.970 179.540 177.584 -0.025 0.000 1.178 311 A CA 1.949 54.010 52.037 0.040 0.000 0.734 311 A CB -1.466 17.520 19.000 -0.023 0.000 0.774 311 A HN 0.367 nan 8.150 nan 0.000 0.481 312 T N -4.509 110.044 114.554 -0.002 0.000 3.015 312 T HA 0.248 4.596 4.350 -0.004 0.000 0.250 312 T C 1.056 175.756 174.700 -0.001 0.000 1.057 312 T CA 0.733 62.798 62.100 -0.058 0.000 1.066 312 T CB -0.102 68.737 68.868 -0.048 0.000 0.959 312 T HN 0.292 nan 8.240 nan 0.000 0.488 313 S N -0.426 115.296 115.700 0.037 0.000 2.748 313 S HA 0.661 5.128 4.470 -0.004 0.000 0.299 313 S C 0.862 175.484 174.600 0.038 0.000 1.119 313 S CA 0.280 58.507 58.200 0.044 0.000 0.997 313 S CB 0.654 63.891 63.200 0.062 0.000 1.223 313 S HN 1.361 nan 8.310 nan 0.000 0.541 314 G N 0.245 109.064 108.800 0.032 0.000 2.791 314 G HA2 -0.120 3.837 3.960 -0.004 0.000 0.256 314 G HA3 -0.120 3.837 3.960 -0.004 0.000 0.256 314 G C 0.978 175.874 174.900 -0.007 0.000 1.380 314 G CA 0.096 45.206 45.100 0.017 0.000 0.904 314 G HN 1.664 nan 8.290 nan 0.000 0.563 315 G N -0.944 107.834 108.800 -0.037 0.000 2.556 315 G HA2 0.236 4.193 3.960 -0.004 0.000 0.220 315 G HA3 0.236 4.193 3.960 -0.004 0.000 0.220 315 G C 2.301 177.128 174.900 -0.121 0.000 1.156 315 G CA 2.566 47.590 45.100 -0.125 0.000 0.766 315 G HN 2.836 nan 8.290 nan 0.000 0.583 316 G N -1.012 107.787 108.800 -0.002 0.000 2.234 316 G HA2 -0.312 3.645 3.960 -0.004 0.000 0.235 316 G HA3 -0.312 3.645 3.960 -0.004 0.000 0.235 316 G C 1.194 176.200 174.900 0.175 0.000 0.997 316 G CA 0.630 45.763 45.100 0.056 0.000 0.623 316 G HN 0.451 nan 8.290 nan 0.000 0.514 317 F N 2.354 122.342 119.950 0.064 0.000 2.008 317 F HA -0.278 4.246 4.527 -0.005 0.000 0.297 317 F C 2.930 178.781 175.800 0.085 0.000 1.156 317 F CA 2.211 60.252 58.000 0.069 0.000 1.191 317 F CB -0.553 38.474 39.000 0.044 0.000 0.955 317 F HN 0.515 nan 8.300 nan 0.000 0.497 318 N N 1.545 120.436 118.700 0.319 0.000 2.202 318 N HA -0.276 4.461 4.740 -0.004 0.000 0.197 318 N C 1.414 177.047 175.510 0.204 0.000 0.995 318 N CA 1.789 54.958 53.050 0.199 0.000 0.894 318 N CB -0.983 37.603 38.487 0.165 0.000 1.010 318 N HN 0.496 nan 8.380 nan 0.000 0.453 319 L N -2.557 118.813 121.223 0.245 0.000 2.591 319 L HA 0.342 4.680 4.340 -0.004 0.000 0.228 319 L C 1.798 178.865 176.870 0.328 0.000 1.133 319 L CA 0.219 55.257 54.840 0.330 0.000 0.880 319 L CB -0.085 42.157 42.059 0.304 0.000 1.033 319 L HN 0.063 nan 8.230 nan 0.000 0.450 320 I N 0.665 121.381 120.570 0.244 0.000 2.193 320 I HA -0.060 4.107 4.170 -0.004 0.000 0.240 320 I C -0.105 176.107 176.117 0.159 0.000 1.084 320 I CA 1.016 62.440 61.300 0.207 0.000 1.365 320 I CB -1.402 36.714 38.000 0.193 0.000 1.064 320 I HN 0.245 nan 8.210 nan 0.000 0.410 321 P HA -0.168 nan 4.420 nan 0.000 0.214 321 P C 1.892 179.215 177.300 0.038 0.000 1.163 321 P CA 1.657 64.795 63.100 0.062 0.000 0.883 321 P CB -0.033 31.692 31.700 0.041 0.000 0.788 322 I N -0.815 119.771 120.570 0.027 0.000 2.208 322 I HA -0.291 3.877 4.170 -0.004 0.000 0.245 322 I C 2.327 178.334 176.117 -0.183 0.000 1.097 322 I CA 1.687 62.895 61.300 -0.154 0.000 1.363 322 I CB -1.020 36.828 38.000 -0.252 0.000 1.051 322 I HN -0.071 nan 8.210 nan 0.000 0.413 323 A N 0.940 123.862 122.820 0.170 0.000 1.858 323 A HA -0.198 4.120 4.320 -0.004 0.000 0.216 323 A C 2.411 180.091 177.584 0.160 0.000 1.190 323 A CA 2.522 54.762 52.037 0.339 0.000 0.617 323 A CB -1.225 18.018 19.000 0.404 0.000 0.827 323 A HN 0.420 nan 8.150 nan 0.000 0.443 324 T N 0.654 115.281 114.554 0.123 0.000 2.759 324 T HA -0.082 4.265 4.350 -0.004 0.000 0.269 324 T C 2.125 176.864 174.700 0.066 0.000 1.042 324 T CA 1.639 63.798 62.100 0.098 0.000 1.140 324 T CB -0.521 68.397 68.868 0.084 0.000 0.864 324 T HN 0.614 nan 8.240 nan 0.000 0.455 325 A N 0.915 123.750 122.820 0.024 0.000 1.877 325 A HA 0.346 4.663 4.320 -0.004 0.000 0.216 325 A C 2.155 179.739 177.584 -0.001 0.000 1.186 325 A CA 1.634 53.671 52.037 -0.001 0.000 0.620 325 A CB -0.947 18.028 19.000 -0.043 0.000 0.822 325 A HN 1.067 nan 8.150 nan 0.000 0.443 326 G N -1.576 107.215 108.800 -0.014 0.000 2.145 326 G HA2 -0.181 3.777 3.960 -0.004 0.000 0.145 326 G HA3 -0.181 3.777 3.960 -0.004 0.000 0.145 326 G C 0.304 175.178 174.900 -0.043 0.000 1.017 326 G CA 0.417 45.518 45.100 0.003 0.000 0.682 326 G HN 0.526 nan 8.290 nan 0.000 0.504 327 N N -0.895 117.711 118.700 -0.155 0.000 2.416 327 N HA 0.158 4.895 4.740 -0.004 0.000 0.177 327 N C 0.073 175.454 175.510 -0.214 0.000 1.036 327 N CA 0.250 53.158 53.050 -0.236 0.000 0.901 327 N CB 0.075 38.333 38.487 -0.381 0.000 0.976 327 N HN 0.338 nan 8.380 nan 0.000 0.444 328 F N 1.236 121.212 119.950 0.044 0.000 2.385 328 F HA 0.205 4.727 4.527 -0.009 0.000 0.336 328 F C 1.054 176.876 175.800 0.036 0.000 1.100 328 F CA -1.532 56.499 58.000 0.051 0.000 1.116 328 F CB 0.910 39.950 39.000 0.067 0.000 1.166 328 F HN -0.164 nan 8.300 nan 0.000 0.511 329 S N 2.652 118.493 115.700 0.236 0.000 2.632 329 S HA 0.234 4.701 4.470 -0.004 0.000 0.271 329 S C 1.122 175.789 174.600 0.112 0.000 1.260 329 S CA -0.798 57.477 58.200 0.124 0.000 1.010 329 S CB 0.991 64.244 63.200 0.088 0.000 0.965 329 S HN 0.742 nan 8.310 nan 0.000 0.534 330 M N 2.693 122.327 119.600 0.058 0.000 2.192 330 M HA -0.008 4.469 4.480 -0.004 0.000 0.259 330 M C 1.695 178.026 176.300 0.051 0.000 1.071 330 M CA 2.124 57.444 55.300 0.034 0.000 1.082 330 M CB -1.485 31.113 32.600 -0.004 0.000 1.373 330 M HN 0.941 nan 8.290 nan 0.000 0.408 331 G N -0.348 108.487 108.800 0.059 0.000 2.505 331 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.214 331 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.214 331 G C 1.394 176.364 174.900 0.117 0.000 1.237 331 G CA 1.006 46.148 45.100 0.070 0.000 0.802 331 G HN 0.495 nan 8.290 nan 0.000 0.549 332 M N 0.517 120.194 119.600 0.127 0.000 2.255 332 M HA 0.025 4.502 4.480 -0.004 0.000 0.259 332 M C 2.230 178.599 176.300 0.116 0.000 1.071 332 M CA 1.050 56.451 55.300 0.169 0.000 1.074 332 M CB -0.482 32.236 32.600 0.197 0.000 1.384 332 M HN 0.235 nan 8.290 nan 0.000 0.415 333 L N -1.874 119.398 121.223 0.082 0.000 1.961 333 L HA -0.219 4.119 4.340 -0.004 0.000 0.209 333 L C 2.249 179.146 176.870 0.045 0.000 1.075 333 L CA 1.294 56.142 54.840 0.013 0.000 0.749 333 L CB -1.004 41.077 42.059 0.037 0.000 0.890 333 L HN 0.069 nan 8.230 nan 0.000 0.433 334 V N 0.066 120.028 119.914 0.081 0.000 2.277 334 V HA -0.393 3.725 4.120 -0.004 0.000 0.253 334 V C 2.215 178.406 176.094 0.161 0.000 1.067 334 V CA 2.497 64.875 62.300 0.130 0.000 1.047 334 V CB -0.712 31.177 31.823 0.110 0.000 0.649 334 V HN 0.447 nan 8.190 nan 0.000 0.447 335 F N 0.503 120.476 119.950 0.037 0.000 2.069 335 F HA -0.231 4.296 4.527 0.000 0.000 0.298 335 F C 2.178 177.990 175.800 0.020 0.000 1.113 335 F CA 2.179 60.193 58.000 0.023 0.000 1.214 335 F CB -0.270 38.731 39.000 0.003 0.000 0.978 335 F HN 0.078 nan 8.300 nan 0.000 0.474 336 I N -0.468 119.891 120.570 -0.351 0.000 2.264 336 I HA -0.284 3.883 4.170 -0.004 0.000 0.248 336 I C 2.246 178.234 176.117 -0.216 0.000 1.111 336 I CA 1.044 62.077 61.300 -0.444 0.000 1.382 336 I CB -0.667 37.158 38.000 -0.290 0.000 1.060 336 I HN 0.266 nan 8.210 nan 0.000 0.418 337 F N 1.636 121.440 119.950 -0.244 0.000 1.997 337 F HA -0.223 4.301 4.527 -0.006 0.000 0.296 337 F C 2.438 178.146 175.800 -0.153 0.000 1.160 337 F CA 1.735 59.629 58.000 -0.177 0.000 1.176 337 F CB -0.982 37.925 39.000 -0.155 0.000 0.964 337 F HN -0.226 nan 8.300 nan 0.000 0.484 338 V N 1.154 120.915 119.914 -0.255 0.000 2.233 338 V HA -0.424 3.694 4.120 -0.004 0.000 0.252 338 V C 2.782 178.731 176.094 -0.242 0.000 1.063 338 V CA 2.582 64.708 62.300 -0.289 0.000 1.032 338 V CB -1.876 29.884 31.823 -0.105 0.000 0.645 338 V HN 0.598 nan 8.190 nan 0.000 0.446 339 A N -0.392 122.230 122.820 -0.330 0.000 1.927 339 A HA -0.309 4.008 4.320 -0.004 0.000 0.220 339 A C 2.351 179.828 177.584 -0.178 0.000 1.185 339 A CA 2.463 54.310 52.037 -0.317 0.000 0.639 339 A CB -0.562 18.036 19.000 -0.670 0.000 0.820 339 A HN 0.591 nan 8.150 nan 0.000 0.451 340 R N -1.036 119.355 120.500 -0.182 0.000 2.075 340 R HA -0.007 4.331 4.340 -0.004 0.000 0.226 340 R C 1.966 178.255 176.300 -0.018 0.000 1.114 340 R CA 1.165 57.220 56.100 -0.075 0.000 0.972 340 R CB -0.586 29.683 30.300 -0.052 0.000 0.869 340 R HN 0.386 nan 8.270 nan 0.000 0.437 341 V N 1.514 121.356 119.914 -0.119 0.000 2.546 341 V HA -0.262 3.856 4.120 -0.004 0.000 0.254 341 V C 2.074 178.288 176.094 0.199 0.000 1.076 341 V CA 1.704 64.014 62.300 0.018 0.000 1.087 341 V CB -0.459 31.246 31.823 -0.197 0.000 0.674 341 V HN 0.290 nan 8.190 nan 0.000 0.470 342 I N 0.072 120.689 120.570 0.079 0.000 2.522 342 I HA -0.114 4.053 4.170 -0.004 0.000 0.240 342 I C 2.737 178.912 176.117 0.098 0.000 1.078 342 I CA 1.414 62.768 61.300 0.089 0.000 1.422 342 I CB -0.715 37.304 38.000 0.031 0.000 1.188 342 I HN 0.404 nan 8.210 nan 0.000 0.442 343 T N -1.242 113.351 114.554 0.065 0.000 2.760 343 T HA -0.204 4.143 4.350 -0.004 0.000 0.269 343 T C 1.734 176.505 174.700 0.118 0.000 1.047 343 T CA 2.090 64.236 62.100 0.077 0.000 1.139 343 T CB -1.071 67.827 68.868 0.049 0.000 0.855 343 T HN 0.250 nan 8.240 nan 0.000 0.471 344 T N 2.587 117.228 114.554 0.146 0.000 2.614 344 T HA 0.078 4.425 4.350 -0.004 0.000 0.263 344 T C 1.950 176.802 174.700 0.252 0.000 1.055 344 T CA 1.344 63.567 62.100 0.205 0.000 1.162 344 T CB -0.627 68.400 68.868 0.266 0.000 0.863 344 T HN 0.279 nan 8.240 nan 0.000 0.414 345 L N 0.520 121.891 121.223 0.246 0.000 1.951 345 L HA -0.151 4.187 4.340 -0.004 0.000 0.222 345 L C 2.546 179.525 176.870 0.181 0.000 1.078 345 L CA 1.268 56.220 54.840 0.188 0.000 0.778 345 L CB -0.867 41.276 42.059 0.139 0.000 0.893 345 L HN 0.209 nan 8.230 nan 0.000 0.436 346 L N -0.820 120.490 121.223 0.145 0.000 2.283 346 L HA -0.283 4.054 4.340 -0.004 0.000 0.217 346 L C 2.178 179.143 176.870 0.159 0.000 1.104 346 L CA 1.742 56.660 54.840 0.130 0.000 0.772 346 L CB -0.532 41.588 42.059 0.102 0.000 0.899 346 L HN 0.366 nan 8.230 nan 0.000 0.439 347 C N -2.628 116.784 119.300 0.187 0.000 2.513 347 C HA 0.091 4.548 4.460 -0.004 0.000 0.292 347 C C 2.309 177.443 174.990 0.241 0.000 1.359 347 C CA 0.044 59.183 59.018 0.202 0.000 1.778 347 C CB -0.649 27.197 27.740 0.175 0.000 2.180 347 C HN 0.654 nan 8.230 nan 0.000 0.509 348 F N 1.985 121.996 119.950 0.102 0.000 2.094 348 F HA -0.011 4.514 4.527 -0.004 0.000 0.291 348 F C 2.462 178.320 175.800 0.098 0.000 1.109 348 F CA 1.924 59.976 58.000 0.085 0.000 1.221 348 F CB -0.831 38.225 39.000 0.094 0.000 1.014 348 F HN 0.015 nan 8.300 nan 0.000 0.473 349 S N -0.079 115.658 115.700 0.062 0.000 2.461 349 S HA -0.208 4.259 4.470 -0.004 0.000 0.246 349 S C 1.811 176.438 174.600 0.045 0.000 1.007 349 S CA 1.249 59.437 58.200 -0.021 0.000 0.976 349 S CB -0.980 62.267 63.200 0.079 0.000 0.763 349 S HN 0.546 nan 8.310 nan 0.000 0.508 350 S N 0.685 116.459 115.700 0.124 0.000 2.803 350 S HA 0.343 4.810 4.470 -0.004 0.000 0.228 350 S C 1.324 176.109 174.600 0.309 0.000 0.953 350 S CA 0.365 58.736 58.200 0.285 0.000 0.983 350 S CB -0.621 62.771 63.200 0.320 0.000 0.784 350 S HN 0.668 nan 8.310 nan 0.000 0.498 351 G N 0.701 109.537 108.800 0.060 0.000 2.269 351 G HA2 -0.209 3.749 3.960 -0.004 0.000 0.277 351 G HA3 -0.209 3.749 3.960 -0.004 0.000 0.277 351 G C 0.351 175.090 174.900 -0.268 0.000 1.008 351 G CA 0.192 45.237 45.100 -0.091 0.000 0.774 351 G HN 1.361 nan 8.290 nan 0.000 0.511 352 A N 0.586 123.254 122.820 -0.253 0.000 2.371 352 A HA 0.653 4.971 4.320 -0.004 0.000 0.257 352 A C -1.236 176.129 177.584 -0.365 0.000 1.089 352 A CA -0.945 50.715 52.037 -0.629 0.000 0.794 352 A CB 0.577 19.291 19.000 -0.475 0.000 1.029 352 A HN 0.251 nan 8.150 nan 0.000 0.488 353 P HA 0.351 nan 4.420 nan 0.000 0.269 353 P C 0.083 177.352 177.300 -0.052 0.000 1.263 353 P CA 0.725 63.718 63.100 -0.179 0.000 0.813 353 P CB 0.343 31.934 31.700 -0.181 0.000 0.868 354 G N 1.918 110.750 108.800 0.054 0.000 2.384 354 G HA2 0.482 4.440 3.960 -0.004 0.000 0.300 354 G HA3 0.482 4.440 3.960 -0.004 0.000 0.300 354 G C -0.924 174.132 174.900 0.261 0.000 1.582 354 G CA -0.381 44.799 45.100 0.132 0.000 0.875 354 G HN 0.546 nan 8.290 nan 0.000 0.628 355 G N -1.168 107.733 108.800 0.169 0.000 2.552 355 G HA2 0.615 4.572 3.960 -0.004 0.000 0.318 355 G HA3 0.615 4.572 3.960 -0.004 0.000 0.318 355 G C 0.248 175.047 174.900 -0.168 0.000 1.240 355 G CA -0.485 44.666 45.100 0.086 0.000 1.002 355 G HN 1.106 nan 8.290 nan 0.000 0.493 356 I N -0.386 119.927 120.570 -0.429 0.000 4.050 356 I HA 0.329 4.497 4.170 -0.004 0.000 0.327 356 I C 0.967 177.018 176.117 -0.109 0.000 1.473 356 I CA -0.457 60.609 61.300 -0.390 0.000 1.124 356 I CB -0.039 37.471 38.000 -0.818 0.000 1.129 356 I HN 0.538 nan 8.210 nan 0.000 0.428 357 F N 1.656 121.573 119.950 -0.055 0.000 2.039 357 F HA -0.116 4.409 4.527 -0.004 0.000 0.294 357 F C 2.440 178.254 175.800 0.023 0.000 1.130 357 F CA 2.273 60.281 58.000 0.013 0.000 1.189 357 F CB -0.100 38.946 39.000 0.078 0.000 0.983 357 F HN 0.147 nan 8.300 nan 0.000 0.471 358 A N 1.325 124.342 122.820 0.327 0.000 1.841 358 A HA -0.179 4.139 4.320 -0.004 0.000 0.216 358 A C -0.300 177.257 177.584 -0.044 0.000 1.199 358 A CA 2.061 54.156 52.037 0.096 0.000 0.621 358 A CB -2.488 16.323 19.000 -0.316 0.000 0.835 358 A HN 0.392 nan 8.150 nan 0.000 0.445 359 P HA -0.201 nan 4.420 nan 0.000 0.220 359 P C 1.539 178.818 177.300 -0.035 0.000 1.144 359 P CA 1.476 64.539 63.100 -0.062 0.000 0.800 359 P CB -0.270 31.407 31.700 -0.038 0.000 0.772 360 M N -1.327 118.234 119.600 -0.065 0.000 2.229 360 M HA -0.081 4.396 4.480 -0.004 0.000 0.264 360 M C 2.273 178.543 176.300 -0.050 0.000 1.063 360 M CA 1.400 56.634 55.300 -0.110 0.000 1.114 360 M CB -0.569 31.906 32.600 -0.209 0.000 1.387 360 M HN -0.064 nan 8.290 nan 0.000 0.420 361 L N -0.352 120.870 121.223 -0.001 0.000 1.994 361 L HA -0.189 4.148 4.340 -0.004 0.000 0.208 361 L C 2.803 179.737 176.870 0.106 0.000 1.071 361 L CA 1.375 56.260 54.840 0.075 0.000 0.745 361 L CB -0.929 41.258 42.059 0.213 0.000 0.892 361 L HN 0.275 nan 8.230 nan 0.000 0.431 362 A N 0.426 123.313 122.820 0.112 0.000 1.869 362 A HA -0.240 4.077 4.320 -0.004 0.000 0.218 362 A C 2.227 179.875 177.584 0.106 0.000 1.203 362 A CA 1.972 54.080 52.037 0.118 0.000 0.638 362 A CB -1.001 18.051 19.000 0.086 0.000 0.831 362 A HN 0.379 nan 8.150 nan 0.000 0.450 363 L N -0.895 120.385 121.223 0.095 0.000 2.013 363 L HA -0.199 4.139 4.340 -0.004 0.000 0.212 363 L C 2.869 179.815 176.870 0.127 0.000 1.073 363 L CA 1.560 56.495 54.840 0.159 0.000 0.753 363 L CB -1.589 40.552 42.059 0.136 0.000 0.890 363 L HN 0.539 nan 8.230 nan 0.000 0.432 364 G N 0.045 108.943 108.800 0.163 0.000 2.514 364 G HA2 -0.282 3.676 3.960 -0.004 0.000 0.217 364 G HA3 -0.282 3.676 3.960 -0.004 0.000 0.217 364 G C 1.551 176.575 174.900 0.208 0.000 1.198 364 G CA 1.508 46.779 45.100 0.285 0.000 0.780 364 G HN 0.341 nan 8.290 nan 0.000 0.565 365 T N 1.096 115.726 114.554 0.127 0.000 2.580 365 T HA -0.197 4.150 4.350 -0.004 0.000 0.265 365 T C 2.475 177.233 174.700 0.097 0.000 1.063 365 T CA 1.794 63.965 62.100 0.118 0.000 1.170 365 T CB -0.719 68.229 68.868 0.133 0.000 0.863 365 T HN 0.048 nan 8.240 nan 0.000 0.418 366 V N 1.767 121.717 119.914 0.060 0.000 2.324 366 V HA -0.158 3.959 4.120 -0.004 0.000 0.250 366 V C 2.452 178.449 176.094 -0.161 0.000 1.060 366 V CA 1.728 64.019 62.300 -0.014 0.000 1.042 366 V CB -0.875 30.936 31.823 -0.019 0.000 0.650 366 V HN 0.328 nan 8.190 nan 0.000 0.450 367 L N 1.355 122.390 121.223 -0.313 0.000 2.056 367 L HA 0.030 4.367 4.340 -0.004 0.000 0.207 367 L C 2.329 179.132 176.870 -0.112 0.000 1.078 367 L CA 2.448 56.976 54.840 -0.519 0.000 0.749 367 L CB -1.403 40.155 42.059 -0.835 0.000 0.901 367 L HN 0.239 nan 8.230 nan 0.000 0.433 368 G N -1.434 107.437 108.800 0.118 0.000 2.459 368 G HA2 -0.275 3.682 3.960 -0.004 0.000 0.217 368 G HA3 -0.275 3.682 3.960 -0.004 0.000 0.217 368 G C 1.394 176.430 174.900 0.227 0.000 1.183 368 G CA 1.318 46.562 45.100 0.240 0.000 0.776 368 G HN 0.438 nan 8.290 nan 0.000 0.552 369 T N 1.979 116.624 114.554 0.151 0.000 2.565 369 T HA -0.216 4.132 4.350 -0.004 0.000 0.265 369 T C 2.779 177.516 174.700 0.061 0.000 1.082 369 T CA 2.475 64.651 62.100 0.126 0.000 1.173 369 T CB -0.825 68.114 68.868 0.118 0.000 0.864 369 T HN 0.456 nan 8.240 nan 0.000 0.425 370 A N 1.105 123.934 122.820 0.014 0.000 1.896 370 A HA -0.199 4.119 4.320 -0.004 0.000 0.220 370 A C 2.058 179.598 177.584 -0.073 0.000 1.206 370 A CA 2.309 54.321 52.037 -0.041 0.000 0.647 370 A CB -1.313 17.634 19.000 -0.087 0.000 0.828 370 A HN 0.511 nan 8.150 nan 0.000 0.455 371 F N 0.996 120.865 119.950 -0.136 0.000 2.154 371 F HA -0.098 4.427 4.527 -0.003 0.000 0.301 371 F C 2.262 177.863 175.800 -0.331 0.000 1.087 371 F CA 1.440 59.342 58.000 -0.164 0.000 1.274 371 F CB -0.669 38.296 39.000 -0.058 0.000 1.009 371 F HN 0.227 nan 8.300 nan 0.000 0.485 372 G N 0.381 109.042 108.800 -0.232 0.000 2.552 372 G HA2 -0.308 3.650 3.960 -0.004 0.000 0.216 372 G HA3 -0.308 3.650 3.960 -0.004 0.000 0.216 372 G C 1.666 176.269 174.900 -0.494 0.000 1.240 372 G CA 1.133 45.870 45.100 -0.605 0.000 0.796 372 G HN 0.365 nan 8.290 nan 0.000 0.568 373 M N -0.052 119.394 119.600 -0.256 0.000 2.128 373 M HA -0.202 4.275 4.480 -0.004 0.000 0.253 373 M C 2.654 178.791 176.300 -0.271 0.000 1.079 373 M CA 1.512 56.691 55.300 -0.201 0.000 1.082 373 M CB -0.617 31.914 32.600 -0.115 0.000 1.335 373 M HN 0.151 nan 8.290 nan 0.000 0.401 374 V N 0.083 119.789 119.914 -0.347 0.000 2.255 374 V HA -0.297 3.821 4.120 -0.004 0.000 0.247 374 V C 2.624 178.443 176.094 -0.458 0.000 1.051 374 V CA 2.067 64.134 62.300 -0.388 0.000 1.018 374 V CB -1.503 30.045 31.823 -0.460 0.000 0.641 374 V HN 0.580 nan 8.190 nan 0.000 0.445 375 A N 0.083 122.548 122.820 -0.590 0.000 1.859 375 A HA -0.206 4.112 4.320 -0.004 0.000 0.217 375 A C 2.413 179.862 177.584 -0.225 0.000 1.198 375 A CA 2.446 54.225 52.037 -0.430 0.000 0.629 375 A CB -0.994 17.582 19.000 -0.708 0.000 0.830 375 A HN 0.306 nan 8.150 nan 0.000 0.446 376 V N 1.227 120.988 119.914 -0.255 0.000 2.226 376 V HA -0.427 3.690 4.120 -0.004 0.000 0.254 376 V C 2.698 178.713 176.094 -0.132 0.000 1.065 376 V CA 2.926 65.151 62.300 -0.125 0.000 1.039 376 V CB -1.228 30.522 31.823 -0.122 0.000 0.653 376 V HN 0.944 nan 8.190 nan 0.000 0.450 377 E N 0.056 120.142 120.200 -0.191 0.000 2.106 377 E HA -0.200 4.147 4.350 -0.004 0.000 0.192 377 E C 2.189 178.611 176.600 -0.296 0.000 0.984 377 E CA 1.535 57.815 56.400 -0.200 0.000 0.806 377 E CB -0.474 29.115 29.700 -0.185 0.000 0.750 377 E HN 0.560 nan 8.360 nan 0.000 0.458 378 L N -0.152 120.793 121.223 -0.464 0.000 2.013 378 L HA -0.113 4.224 4.340 -0.004 0.000 0.212 378 L C 0.333 176.646 176.870 -0.928 0.000 1.073 378 L CA 1.107 55.450 54.840 -0.828 0.000 0.753 378 L CB -0.137 41.138 42.059 -1.306 0.000 0.890 378 L HN 0.168 nan 8.230 nan 0.000 0.432 379 F N -1.862 117.964 119.950 -0.207 0.000 2.659 379 F HA 0.345 4.870 4.527 -0.003 0.000 0.342 379 F C -1.925 173.751 175.800 -0.207 0.000 1.168 379 F CA -2.325 55.515 58.000 -0.267 0.000 1.003 379 F CB 0.357 39.045 39.000 -0.520 0.000 1.267 379 F HN -0.236 nan 8.300 nan 0.000 0.463 380 P HA -0.088 nan 4.420 nan 0.000 0.251 380 P C 0.779 177.972 177.300 -0.178 0.000 1.223 380 P CA 0.677 63.718 63.100 -0.098 0.000 0.796 380 P CB 0.441 32.069 31.700 -0.120 0.000 1.068 381 Q N -0.733 119.029 119.800 -0.065 0.000 2.444 381 Q HA -0.083 4.255 4.340 -0.004 0.000 0.206 381 Q C 1.052 177.287 176.000 0.392 0.000 0.948 381 Q CA 0.776 56.607 55.803 0.048 0.000 0.946 381 Q CB -0.935 27.863 28.738 0.100 0.000 1.027 381 Q HN 0.425 nan 8.270 nan 0.000 0.513 382 Y N 0.274 120.682 120.300 0.180 0.000 2.457 382 Y HA 0.052 4.599 4.550 -0.004 0.000 0.263 382 Y C -0.241 175.845 175.900 0.311 0.000 1.164 382 Y CA -0.483 57.758 58.100 0.235 0.000 1.274 382 Y CB 0.148 38.693 38.460 0.142 0.000 1.097 382 Y HN 0.286 nan 8.280 nan 0.000 0.523 383 H N 0.069 119.290 119.070 0.253 0.000 2.527 383 H HA -0.185 4.369 4.556 -0.003 0.000 0.321 383 H C -0.173 175.263 175.328 0.180 0.000 1.092 383 H CA 0.225 56.375 56.048 0.170 0.000 1.118 383 H CB -2.128 27.713 29.762 0.132 0.000 1.536 383 H HN 0.291 nan 8.280 nan 0.000 0.407 384 L N -0.134 121.252 121.223 0.272 0.000 2.475 384 L HA 0.275 4.612 4.340 -0.004 0.000 0.250 384 L C 1.068 178.065 176.870 0.212 0.000 1.224 384 L CA 0.128 55.140 54.840 0.287 0.000 0.821 384 L CB 0.553 42.786 42.059 0.289 0.000 1.141 384 L HN 0.437 nan 8.230 nan 0.000 0.494 385 E N -0.342 120.013 120.200 0.258 0.000 2.432 385 E HA 0.271 4.619 4.350 -0.004 0.000 0.272 385 E C 0.255 177.005 176.600 0.250 0.000 0.937 385 E CA -0.235 56.278 56.400 0.189 0.000 0.812 385 E CB 1.615 31.414 29.700 0.165 0.000 1.377 385 E HN 0.701 nan 8.360 nan 0.000 0.399 386 A N 3.691 126.597 122.820 0.143 0.000 2.001 386 A HA -0.303 4.014 4.320 -0.004 0.000 0.224 386 A C 1.938 179.690 177.584 0.279 0.000 1.203 386 A CA 2.512 54.634 52.037 0.142 0.000 0.667 386 A CB -1.142 17.878 19.000 0.034 0.000 0.823 386 A HN 0.796 nan 8.150 nan 0.000 0.473 387 G N -0.768 108.152 108.800 0.201 0.000 2.547 387 G HA2 -0.367 3.591 3.960 -0.004 0.000 0.221 387 G HA3 -0.367 3.591 3.960 -0.004 0.000 0.221 387 G C 1.784 176.807 174.900 0.204 0.000 1.140 387 G CA 2.656 47.860 45.100 0.174 0.000 0.760 387 G HN 0.949 nan 8.290 nan 0.000 0.583 388 T N -1.021 113.687 114.554 0.258 0.000 2.708 388 T HA -0.098 4.249 4.350 -0.004 0.000 0.266 388 T C 2.119 176.952 174.700 0.221 0.000 1.037 388 T CA 1.435 63.645 62.100 0.182 0.000 1.146 388 T CB -0.521 68.437 68.868 0.151 0.000 0.865 388 T HN 0.151 nan 8.240 nan 0.000 0.435 389 F N 2.532 122.623 119.950 0.235 0.000 2.216 389 F HA 0.287 4.813 4.527 -0.002 0.000 0.300 389 F C 2.894 178.776 175.800 0.136 0.000 1.085 389 F CA 0.345 58.463 58.000 0.197 0.000 1.326 389 F CB -1.027 38.055 39.000 0.136 0.000 1.027 389 F HN 0.299 nan 8.300 nan 0.000 0.497 390 A N -0.538 122.468 122.820 0.310 0.000 2.248 390 A HA 0.003 4.320 4.320 -0.004 0.000 0.210 390 A C 2.099 179.758 177.584 0.124 0.000 1.174 390 A CA 1.107 53.261 52.037 0.195 0.000 0.750 390 A CB -0.803 18.298 19.000 0.168 0.000 0.780 390 A HN 0.483 nan 8.150 nan 0.000 0.478 391 I N -2.107 118.522 120.570 0.098 0.000 3.883 391 I HA 0.043 4.210 4.170 -0.004 0.000 0.305 391 I C 2.508 178.596 176.117 -0.049 0.000 1.247 391 I CA 0.764 62.075 61.300 0.019 0.000 1.350 391 I CB -0.002 37.999 38.000 0.003 0.000 1.194 391 I HN 0.256 nan 8.210 nan 0.000 0.441 392 A N 0.673 123.473 122.820 -0.034 0.000 2.125 392 A HA -0.039 4.278 4.320 -0.004 0.000 0.219 392 A C 1.989 179.456 177.584 -0.195 0.000 1.156 392 A CA 1.819 53.795 52.037 -0.101 0.000 0.671 392 A CB -0.780 18.262 19.000 0.071 0.000 0.794 392 A HN 0.459 nan 8.150 nan 0.000 0.459 393 G N -1.697 107.003 108.800 -0.166 0.000 3.192 393 G HA2 0.227 4.184 3.960 -0.004 0.000 0.239 393 G HA3 0.227 4.184 3.960 -0.004 0.000 0.239 393 G C 1.152 175.909 174.900 -0.239 0.000 1.084 393 G CA 0.522 45.392 45.100 -0.383 0.000 0.784 393 G HN 0.421 nan 8.290 nan 0.000 0.540 394 M N 0.826 120.361 119.600 -0.108 0.000 2.213 394 M HA 0.087 4.564 4.480 -0.004 0.000 0.263 394 M C 1.872 178.121 176.300 -0.085 0.000 1.062 394 M CA 1.951 57.231 55.300 -0.034 0.000 1.105 394 M CB 0.106 32.711 32.600 0.008 0.000 1.385 394 M HN 0.123 nan 8.290 nan 0.000 0.417 395 G N -1.393 107.303 108.800 -0.174 0.000 3.519 395 G HA2 0.427 4.385 3.960 -0.004 0.000 0.269 395 G HA3 0.427 4.385 3.960 -0.004 0.000 0.269 395 G C 1.091 175.815 174.900 -0.292 0.000 1.028 395 G CA 0.393 45.374 45.100 -0.197 0.000 0.809 395 G HN 0.535 nan 8.290 nan 0.000 0.521 396 A N 0.527 123.054 122.820 -0.488 0.000 1.929 396 A HA 0.147 4.465 4.320 -0.004 0.000 0.216 396 A C 1.833 179.181 177.584 -0.393 0.000 1.176 396 A CA 0.606 52.228 52.037 -0.691 0.000 0.628 396 A CB -0.210 17.878 19.000 -1.520 0.000 0.816 396 A HN 0.388 nan 8.150 nan 0.000 0.444 397 L N -0.085 121.055 121.223 -0.138 0.000 2.693 397 L HA 0.196 4.533 4.340 -0.004 0.000 0.242 397 L C 0.903 177.731 176.870 -0.070 0.000 1.157 397 L CA 0.761 55.714 54.840 0.190 0.000 0.929 397 L CB -0.467 41.785 42.059 0.322 0.000 1.103 397 L HN 0.436 nan 8.230 nan 0.000 0.430 398 L N -0.625 120.495 121.223 -0.172 0.000 2.653 398 L HA 0.231 4.568 4.340 -0.004 0.000 0.230 398 L C 1.810 178.569 176.870 -0.185 0.000 1.055 398 L CA 0.474 55.158 54.840 -0.261 0.000 0.880 398 L CB 0.077 41.925 42.059 -0.351 0.000 1.195 398 L HN 0.247 nan 8.230 nan 0.000 0.492 399 A N -0.283 122.439 122.820 -0.163 0.000 2.503 399 A HA 0.556 4.873 4.320 -0.004 0.000 0.263 399 A C 1.137 178.671 177.584 -0.085 0.000 1.360 399 A CA 0.945 52.903 52.037 -0.131 0.000 0.969 399 A CB -0.430 18.476 19.000 -0.158 0.000 1.000 399 A HN 0.381 nan 8.150 nan 0.000 0.530 400 A N -2.209 120.576 122.820 -0.059 0.000 1.626 400 A HA 0.265 4.582 4.320 -0.004 0.000 0.201 400 A C 1.889 179.457 177.584 -0.028 0.000 1.920 400 A CA 1.008 53.032 52.037 -0.022 0.000 1.499 400 A CB -0.538 18.491 19.000 0.047 0.000 1.498 400 A HN 0.271 nan 8.150 nan 0.000 0.333 401 S N -0.300 115.382 115.700 -0.030 0.000 2.327 401 S HA 0.151 4.619 4.470 -0.004 0.000 0.213 401 S C 1.589 176.179 174.600 -0.017 0.000 1.032 401 S CA 1.322 59.521 58.200 -0.001 0.000 0.960 401 S CB -0.195 63.031 63.200 0.043 0.000 0.900 401 S HN 0.436 nan 8.310 nan 0.000 0.469 402 I N 1.313 121.822 120.570 -0.103 0.000 3.684 402 I HA 0.134 4.302 4.170 -0.004 0.000 0.304 402 I C -0.309 175.738 176.117 -0.115 0.000 1.278 402 I CA 0.153 61.352 61.300 -0.169 0.000 1.272 402 I CB -0.078 37.667 38.000 -0.426 0.000 1.029 402 I HN 0.198 nan 8.210 nan 0.000 0.458 403 R N 0.875 121.321 120.500 -0.089 0.000 3.225 403 R HA -0.208 4.129 4.340 -0.004 0.000 0.245 403 R C 0.181 176.438 176.300 -0.072 0.000 0.928 403 R CA 0.527 56.584 56.100 -0.072 0.000 0.632 403 R CB -2.203 28.069 30.300 -0.047 0.000 1.038 403 R HN 0.410 nan 8.270 nan 0.000 0.461 404 A N -0.682 122.093 122.820 -0.075 0.000 3.105 404 A HA 0.413 4.730 4.320 -0.004 0.000 0.297 404 A C -1.621 175.938 177.584 -0.041 0.000 0.977 404 A CA -1.243 50.775 52.037 -0.033 0.000 1.020 404 A CB 0.636 19.671 19.000 0.058 0.000 1.098 404 A HN 0.030 nan 8.150 nan 0.000 0.497 405 P HA -0.258 nan 4.420 nan 0.000 0.214 405 P C 1.719 178.977 177.300 -0.070 0.000 1.164 405 P CA 1.060 64.107 63.100 -0.089 0.000 0.942 405 P CB 0.173 31.818 31.700 -0.093 0.000 0.791 406 L N -0.966 120.224 121.223 -0.055 0.000 2.051 406 L HA -0.209 4.128 4.340 -0.004 0.000 0.214 406 L C 2.122 178.977 176.870 -0.025 0.000 1.076 406 L CA 2.257 57.071 54.840 -0.043 0.000 0.758 406 L CB -1.771 40.267 42.059 -0.036 0.000 0.890 406 L HN 0.018 nan 8.230 nan 0.000 0.433 407 T N -0.977 113.584 114.554 0.011 0.000 2.821 407 T HA -0.044 4.303 4.350 -0.004 0.000 0.267 407 T C 1.584 176.277 174.700 -0.011 0.000 1.046 407 T CA 1.026 63.157 62.100 0.051 0.000 1.139 407 T CB -0.580 68.435 68.868 0.245 0.000 0.871 407 T HN 0.597 nan 8.240 nan 0.000 0.454 408 G N 2.271 111.052 108.800 -0.032 0.000 2.547 408 G HA2 -0.094 3.863 3.960 -0.004 0.000 0.214 408 G HA3 -0.094 3.863 3.960 -0.004 0.000 0.214 408 G C 1.409 176.252 174.900 -0.095 0.000 1.254 408 G CA 0.480 45.534 45.100 -0.077 0.000 0.817 408 G HN 0.343 nan 8.290 nan 0.000 0.551 409 I N 1.332 121.838 120.570 -0.106 0.000 2.242 409 I HA -0.297 3.871 4.170 -0.004 0.000 0.242 409 I C 2.790 178.852 176.117 -0.091 0.000 0.998 409 I CA 1.642 62.876 61.300 -0.111 0.000 1.283 409 I CB -1.160 36.776 38.000 -0.107 0.000 0.985 409 I HN 0.206 nan 8.210 nan 0.000 0.415 410 I N -0.370 120.156 120.570 -0.074 0.000 2.439 410 I HA -0.254 3.913 4.170 -0.004 0.000 0.251 410 I C 2.545 178.609 176.117 -0.088 0.000 1.139 410 I CA 0.718 61.980 61.300 -0.063 0.000 1.438 410 I CB -0.195 37.776 38.000 -0.049 0.000 1.085 410 I HN 0.216 nan 8.210 nan 0.000 0.427 411 L N 0.423 121.571 121.223 -0.124 0.000 2.083 411 L HA -0.139 4.199 4.340 -0.004 0.000 0.209 411 L C 2.325 179.121 176.870 -0.124 0.000 1.083 411 L CA 1.690 56.414 54.840 -0.193 0.000 0.752 411 L CB -0.392 41.484 42.059 -0.304 0.000 0.899 411 L HN -0.067 nan 8.230 nan 0.000 0.433 412 V N -0.268 119.593 119.914 -0.088 0.000 2.214 412 V HA -0.341 3.777 4.120 -0.004 0.000 0.245 412 V C 2.486 178.554 176.094 -0.044 0.000 1.047 412 V CA 2.160 64.427 62.300 -0.055 0.000 0.998 412 V CB -0.746 31.034 31.823 -0.071 0.000 0.633 412 V HN 0.550 nan 8.190 nan 0.000 0.446 413 L N -0.115 121.077 121.223 -0.050 0.000 2.010 413 L HA -0.291 4.047 4.340 -0.004 0.000 0.219 413 L C 2.744 179.607 176.870 -0.010 0.000 1.077 413 L CA 2.137 56.963 54.840 -0.023 0.000 0.773 413 L CB -0.611 41.445 42.059 -0.005 0.000 0.892 413 L HN 0.404 nan 8.230 nan 0.000 0.436 414 E N -0.084 120.100 120.200 -0.028 0.000 2.197 414 E HA -0.285 4.062 4.350 -0.004 0.000 0.205 414 E C 1.665 178.256 176.600 -0.015 0.000 1.029 414 E CA 2.296 58.678 56.400 -0.030 0.000 0.828 414 E CB -0.218 29.441 29.700 -0.069 0.000 0.737 414 E HN 0.764 nan 8.360 nan 0.000 0.464 415 M N -2.749 116.844 119.600 -0.012 0.000 2.511 415 M HA 0.226 4.703 4.480 -0.004 0.000 0.387 415 M C 0.951 177.250 176.300 -0.001 0.000 1.112 415 M CA 0.156 55.456 55.300 -0.000 0.000 0.921 415 M CB 0.815 33.423 32.600 0.014 0.000 1.501 415 M HN -0.131 nan 8.290 nan 0.000 0.538 416 T N -5.344 109.209 114.554 -0.001 0.000 2.958 416 T HA 0.119 4.466 4.350 -0.004 0.000 0.256 416 T C 0.718 175.421 174.700 0.005 0.000 0.983 416 T CA 0.460 62.560 62.100 0.001 0.000 0.924 416 T CB 0.041 68.906 68.868 -0.005 0.000 1.136 416 T HN 0.361 nan 8.240 nan 0.000 0.506 417 D N 2.060 122.467 120.400 0.011 0.000 2.792 417 D HA -0.170 4.468 4.640 -0.004 0.000 0.231 417 D C -0.475 175.844 176.300 0.031 0.000 1.160 417 D CA 0.540 54.555 54.000 0.025 0.000 0.697 417 D CB -1.901 38.912 40.800 0.021 0.000 1.070 417 D HN 0.687 nan 8.370 nan 0.000 0.426 418 N N 0.196 118.905 118.700 0.015 0.000 2.761 418 N HA 0.021 4.758 4.740 -0.004 0.000 0.317 418 N C 0.810 176.310 175.510 -0.017 0.000 1.546 418 N CA -0.370 52.681 53.050 0.002 0.000 1.015 418 N CB 0.134 38.605 38.487 -0.027 0.000 1.343 418 N HN 0.254 nan 8.380 nan 0.000 0.504 419 Y N 2.305 122.574 120.300 -0.052 0.000 2.332 419 Y HA -0.335 4.213 4.550 -0.004 0.000 0.283 419 Y C 2.067 177.923 175.900 -0.074 0.000 1.186 419 Y CA 1.957 60.020 58.100 -0.062 0.000 1.266 419 Y CB 0.175 38.606 38.460 -0.048 0.000 0.973 419 Y HN 0.346 nan 8.280 nan 0.000 0.548 420 Q N -0.148 119.639 119.800 -0.022 0.000 2.368 420 Q HA -0.127 4.210 4.340 -0.004 0.000 0.210 420 Q C 1.390 177.261 176.000 -0.216 0.000 0.982 420 Q CA 1.796 57.556 55.803 -0.072 0.000 0.884 420 Q CB -0.536 28.190 28.738 -0.020 0.000 0.933 420 Q HN 0.554 nan 8.270 nan 0.000 0.460 421 L N -0.481 120.577 121.223 -0.274 0.000 2.667 421 L HA 0.175 4.513 4.340 -0.004 0.000 0.232 421 L C 1.375 177.989 176.870 -0.426 0.000 1.138 421 L CA -0.340 54.294 54.840 -0.343 0.000 0.921 421 L CB 0.071 41.964 42.059 -0.276 0.000 1.180 421 L HN 0.182 nan 8.230 nan 0.000 0.487 422 I N 0.213 120.453 120.570 -0.549 0.000 2.208 422 I HA -0.315 3.853 4.170 -0.004 0.000 0.245 422 I C 2.202 178.072 176.117 -0.411 0.000 1.097 422 I CA 1.568 62.524 61.300 -0.574 0.000 1.363 422 I CB 0.003 37.388 38.000 -1.026 0.000 1.051 422 I HN 0.181 nan 8.210 nan 0.000 0.413 423 L N 0.871 121.867 121.223 -0.380 0.000 2.012 423 L HA -0.131 4.207 4.340 -0.004 0.000 0.210 423 L C -0.470 176.205 176.870 -0.326 0.000 1.073 423 L CA 2.357 57.026 54.840 -0.285 0.000 0.748 423 L CB -1.774 40.147 42.059 -0.229 0.000 0.891 423 L HN 0.160 nan 8.230 nan 0.000 0.431 424 P HA -0.134 nan 4.420 nan 0.000 0.214 424 P C 2.035 179.069 177.300 -0.444 0.000 1.162 424 P CA 1.571 64.264 63.100 -0.679 0.000 0.879 424 P CB -0.082 30.771 31.700 -1.412 0.000 0.786 425 M N -1.730 117.630 119.600 -0.399 0.000 2.192 425 M HA -0.198 4.279 4.480 -0.004 0.000 0.259 425 M C 2.014 178.180 176.300 -0.225 0.000 1.071 425 M CA 1.839 56.971 55.300 -0.279 0.000 1.082 425 M CB -0.926 31.521 32.600 -0.255 0.000 1.373 425 M HN -0.034 nan 8.290 nan 0.000 0.408 426 I N 0.313 120.753 120.570 -0.215 0.000 2.188 426 I HA -0.233 3.935 4.170 -0.004 0.000 0.237 426 I C 2.215 178.248 176.117 -0.140 0.000 1.073 426 I CA 1.093 62.296 61.300 -0.163 0.000 1.359 426 I CB -0.257 37.656 38.000 -0.144 0.000 1.083 426 I HN 0.185 nan 8.210 nan 0.000 0.412 427 I N 0.542 121.032 120.570 -0.134 0.000 2.479 427 I HA -0.315 3.853 4.170 -0.004 0.000 0.258 427 I C 2.214 178.287 176.117 -0.073 0.000 1.165 427 I CA 1.264 62.513 61.300 -0.084 0.000 1.422 427 I CB -0.822 37.141 38.000 -0.061 0.000 1.087 427 I HN 0.350 nan 8.210 nan 0.000 0.441 428 T N 0.313 114.802 114.554 -0.109 0.000 2.815 428 T HA 0.021 4.368 4.350 -0.004 0.000 0.244 428 T C 2.012 176.618 174.700 -0.156 0.000 1.040 428 T CA 1.118 63.145 62.100 -0.122 0.000 1.176 428 T CB -0.702 68.070 68.868 -0.161 0.000 0.880 428 T HN 0.486 nan 8.240 nan 0.000 0.414 429 G N 1.494 110.178 108.800 -0.193 0.000 2.507 429 G HA2 -0.202 3.755 3.960 -0.004 0.000 0.221 429 G HA3 -0.202 3.755 3.960 -0.004 0.000 0.221 429 G C 1.526 176.343 174.900 -0.137 0.000 1.119 429 G CA 0.965 45.952 45.100 -0.188 0.000 0.751 429 G HN 0.325 nan 8.290 nan 0.000 0.574 430 L N 1.096 122.249 121.223 -0.116 0.000 1.993 430 L HA 0.237 4.574 4.340 -0.004 0.000 0.206 430 L C 2.983 179.795 176.870 -0.096 0.000 1.074 430 L CA 2.267 57.048 54.840 -0.099 0.000 0.746 430 L CB -1.134 40.876 42.059 -0.082 0.000 0.896 430 L HN 0.161 nan 8.230 nan 0.000 0.435 431 G N -0.963 107.792 108.800 -0.074 0.000 2.507 431 G HA2 -0.335 3.622 3.960 -0.004 0.000 0.221 431 G HA3 -0.335 3.622 3.960 -0.004 0.000 0.221 431 G C 1.523 176.389 174.900 -0.057 0.000 1.119 431 G CA 1.126 46.195 45.100 -0.053 0.000 0.751 431 G HN 0.671 nan 8.290 nan 0.000 0.574 432 A N 0.987 123.766 122.820 -0.068 0.000 1.828 432 A HA -0.082 4.235 4.320 -0.004 0.000 0.215 432 A C 2.710 180.257 177.584 -0.062 0.000 1.203 432 A CA 3.187 55.200 52.037 -0.039 0.000 0.614 432 A CB -1.411 17.541 19.000 -0.080 0.000 0.844 432 A HN 0.602 nan 8.150 nan 0.000 0.445 433 T N -1.396 113.100 114.554 -0.097 0.000 2.849 433 T HA -0.085 4.262 4.350 -0.004 0.000 0.270 433 T C 1.618 176.200 174.700 -0.197 0.000 1.066 433 T CA 1.276 63.304 62.100 -0.120 0.000 1.130 433 T CB -0.376 68.422 68.868 -0.118 0.000 0.864 433 T HN 0.162 nan 8.240 nan 0.000 0.481 434 L N -0.253 120.832 121.223 -0.231 0.000 2.456 434 L HA 0.112 4.450 4.340 -0.004 0.000 0.224 434 L C 1.854 178.445 176.870 -0.465 0.000 1.148 434 L CA 1.090 55.677 54.840 -0.421 0.000 0.825 434 L CB -0.593 41.295 42.059 -0.285 0.000 0.937 434 L HN 0.370 nan 8.230 nan 0.000 0.450 435 L N -1.888 119.218 121.223 -0.194 0.000 2.717 435 L HA 0.203 4.541 4.340 -0.004 0.000 0.239 435 L C 2.334 179.191 176.870 -0.021 0.000 1.086 435 L CA 0.762 55.569 54.840 -0.055 0.000 0.897 435 L CB -0.692 41.385 42.059 0.030 0.000 1.214 435 L HN 0.049 nan 8.230 nan 0.000 0.508 436 A N -0.738 122.051 122.820 -0.052 0.000 2.168 436 A HA -0.145 4.172 4.320 -0.004 0.000 0.215 436 A C 2.092 179.661 177.584 -0.026 0.000 1.152 436 A CA 1.097 53.119 52.037 -0.026 0.000 0.716 436 A CB -0.086 18.894 19.000 -0.033 0.000 0.794 436 A HN 0.470 nan 8.150 nan 0.000 0.465 437 Q N -1.083 118.669 119.800 -0.081 0.000 2.123 437 Q HA 0.023 4.361 4.340 -0.004 0.000 0.193 437 Q C 0.692 176.764 176.000 0.120 0.000 0.981 437 Q CA 0.447 56.224 55.803 -0.042 0.000 0.833 437 Q CB -0.122 28.503 28.738 -0.188 0.000 0.914 437 Q HN 0.499 nan 8.270 nan 0.000 0.484 438 F N 1.823 121.788 119.950 0.025 0.000 2.668 438 F HA -0.040 4.484 4.527 -0.004 0.000 0.293 438 F C 0.901 176.718 175.800 0.029 0.000 1.258 438 F CA 1.248 59.265 58.000 0.028 0.000 1.480 438 F CB -0.925 38.093 39.000 0.030 0.000 1.122 438 F HN 0.142 nan 8.300 nan 0.000 0.611 439 T N -3.074 111.593 114.554 0.188 0.000 4.152 439 T HA 0.556 4.904 4.350 -0.004 0.000 0.237 439 T C 0.602 175.351 174.700 0.082 0.000 0.971 439 T CA -0.076 62.097 62.100 0.122 0.000 1.328 439 T CB 0.030 68.962 68.868 0.105 0.000 0.912 439 T HN 0.532 nan 8.240 nan 0.000 0.587 440 G N 1.393 110.243 108.800 0.083 0.000 2.552 440 G HA2 0.255 4.212 3.960 -0.004 0.000 0.267 440 G HA3 0.255 4.212 3.960 -0.004 0.000 0.267 440 G C 0.766 175.695 174.900 0.048 0.000 1.174 440 G CA 0.356 45.492 45.100 0.060 0.000 0.955 440 G HN 2.170 nan 8.290 nan 0.000 0.546 441 G N -0.323 108.496 108.800 0.030 0.000 3.487 441 G HA2 0.236 4.194 3.960 -0.004 0.000 0.714 441 G HA3 0.236 4.194 3.960 -0.004 0.000 0.714 441 G C -0.127 174.791 174.900 0.029 0.000 1.616 441 G CA 1.585 46.697 45.100 0.018 0.000 1.223 441 G HN 1.460 nan 8.290 nan 0.000 0.570 442 K N 1.280 121.699 120.400 0.031 0.000 2.578 442 K HA 0.409 4.726 4.320 -0.004 0.000 0.287 442 K C -2.960 173.671 176.600 0.053 0.000 1.010 442 K CA -1.919 54.395 56.287 0.045 0.000 0.889 442 K CB 2.103 34.638 32.500 0.059 0.000 1.514 442 K HN 0.238 nan 8.250 nan 0.000 0.424 443 P HA -0.099 nan 4.420 nan 0.000 0.250 443 P C 0.674 178.059 177.300 0.143 0.000 1.161 443 P CA 0.169 63.318 63.100 0.081 0.000 0.863 443 P CB 0.156 31.906 31.700 0.083 0.000 0.827 444 L N 3.461 124.777 121.223 0.155 0.000 2.357 444 L HA -0.228 4.110 4.340 -0.004 0.000 0.220 444 L C 0.823 177.903 176.870 0.351 0.000 1.123 444 L CA 2.218 57.190 54.840 0.219 0.000 0.782 444 L CB -0.764 41.429 42.059 0.223 0.000 0.910 444 L HN 0.338 nan 8.230 nan 0.000 0.442 445 Y N -0.766 119.592 120.300 0.097 0.000 2.397 445 Y HA -0.005 4.542 4.550 -0.005 0.000 0.292 445 Y C 2.831 178.786 175.900 0.093 0.000 1.115 445 Y CA 0.905 59.075 58.100 0.117 0.000 1.208 445 Y CB -0.364 38.178 38.460 0.136 0.000 1.046 445 Y HN 0.135 nan 8.280 nan 0.000 0.552 446 S N -0.175 115.663 115.700 0.230 0.000 2.348 446 S HA -0.106 4.361 4.470 -0.004 0.000 0.219 446 S C 2.383 177.051 174.600 0.113 0.000 1.033 446 S CA 0.909 59.200 58.200 0.151 0.000 0.974 446 S CB -0.736 62.549 63.200 0.141 0.000 0.868 446 S HN 0.445 nan 8.310 nan 0.000 0.459 447 A N 2.011 124.897 122.820 0.110 0.000 1.915 447 A HA -0.195 4.122 4.320 -0.004 0.000 0.220 447 A C 2.053 179.675 177.584 0.063 0.000 1.198 447 A CA 1.736 53.820 52.037 0.079 0.000 0.647 447 A CB -1.066 17.980 19.000 0.078 0.000 0.825 447 A HN 0.494 nan 8.150 nan 0.000 0.456 448 I N -1.153 119.459 120.570 0.070 0.000 2.163 448 I HA -0.266 3.901 4.170 -0.004 0.000 0.243 448 I C 2.498 178.627 176.117 0.020 0.000 1.085 448 I CA 1.616 62.938 61.300 0.036 0.000 1.347 448 I CB -0.435 37.577 38.000 0.020 0.000 1.044 448 I HN 0.453 nan 8.210 nan 0.000 0.408 449 L N 1.315 122.557 121.223 0.031 0.000 1.970 449 L HA -0.186 4.151 4.340 -0.004 0.000 0.212 449 L C 2.666 179.549 176.870 0.023 0.000 1.071 449 L CA 2.308 57.163 54.840 0.025 0.000 0.751 449 L CB -1.014 41.070 42.059 0.043 0.000 0.889 449 L HN 0.211 nan 8.230 nan 0.000 0.432 450 A N -0.085 122.755 122.820 0.034 0.000 1.870 450 A HA -0.318 3.999 4.320 -0.004 0.000 0.219 450 A C 2.391 179.981 177.584 0.011 0.000 1.224 450 A CA 2.531 54.582 52.037 0.023 0.000 0.650 450 A CB -0.819 18.199 19.000 0.029 0.000 0.836 450 A HN 0.557 nan 8.150 nan 0.000 0.454 451 R N -1.178 119.329 120.500 0.012 0.000 2.097 451 R HA -0.127 4.211 4.340 -0.004 0.000 0.236 451 R C 2.068 178.364 176.300 -0.006 0.000 1.135 451 R CA 1.967 58.068 56.100 0.000 0.000 0.934 451 R CB -1.434 28.865 30.300 -0.001 0.000 0.846 451 R HN 0.581 nan 8.270 nan 0.000 0.431 452 T N 1.465 116.015 114.554 -0.006 0.000 3.155 452 T HA -0.044 4.303 4.350 -0.004 0.000 0.264 452 T C 1.486 176.184 174.700 -0.004 0.000 1.160 452 T CA 0.535 62.629 62.100 -0.009 0.000 1.075 452 T CB -0.010 68.850 68.868 -0.013 0.000 0.921 452 T HN 0.009 nan 8.240 nan 0.000 0.533 453 L N 0.272 121.495 121.223 0.000 0.000 2.388 453 L HA 0.531 4.868 4.340 -0.004 0.000 0.209 453 L C 2.375 179.244 176.870 -0.000 0.000 1.061 453 L CA 0.736 55.577 54.840 0.003 0.000 0.834 453 L CB -0.675 41.388 42.059 0.007 0.000 1.029 453 L HN 0.143 nan 8.230 nan 0.000 0.473 454 A N -0.881 121.938 122.820 -0.002 0.000 1.970 454 A HA -0.138 4.180 4.320 -0.004 0.000 0.216 454 A C 2.295 179.876 177.584 -0.006 0.000 1.170 454 A CA 1.335 53.369 52.037 -0.005 0.000 0.645 454 A CB -0.370 18.627 19.000 -0.005 0.000 0.816 454 A HN 0.330 nan 8.150 nan 0.000 0.447 455 K N -0.258 120.136 120.400 -0.009 0.000 2.288 455 K HA -0.129 4.188 4.320 -0.004 0.000 0.201 455 K C 2.123 178.720 176.600 -0.005 0.000 1.048 455 K CA 1.123 57.403 56.287 -0.012 0.000 0.956 455 K CB -0.102 32.385 32.500 -0.022 0.000 0.746 455 K HN 0.654 nan 8.250 nan 0.000 0.461 456 Q N 1.025 120.824 119.800 -0.002 0.000 2.020 456 Q HA -0.181 4.157 4.340 -0.004 0.000 0.202 456 Q C 0.773 176.775 176.000 0.003 0.000 0.982 456 Q CA 1.629 57.433 55.803 0.003 0.000 0.838 456 Q CB 0.032 28.772 28.738 0.004 0.000 0.899 456 Q HN 0.489 nan 8.270 nan 0.000 0.423 457 E N -1.827 118.374 120.200 0.002 0.000 3.552 457 E HA 0.416 4.763 4.350 -0.004 0.000 0.264 457 E C 0.325 176.925 176.600 -0.001 0.000 1.170 457 E CA -0.017 56.384 56.400 0.002 0.000 1.313 457 E CB 0.195 29.896 29.700 0.001 0.000 1.522 457 E HN 0.204 nan 8.360 nan 0.000 0.653 458 A N -0.192 122.627 122.820 -0.001 0.000 2.799 458 A HA -0.283 4.035 4.320 -0.004 0.000 0.274 458 A C 0.637 178.220 177.584 -0.002 0.000 1.393 458 A CA 1.898 53.934 52.037 -0.003 0.000 0.909 458 A CB -2.077 16.920 19.000 -0.005 0.000 1.012 458 A HN 0.634 nan 8.150 nan 0.000 0.653 459 E N -0.794 119.406 120.200 0.000 0.000 4.230 459 E HA 0.289 4.637 4.350 -0.004 0.000 0.218 459 E C -0.234 176.368 176.600 0.004 0.000 1.140 459 E CA 0.319 56.720 56.400 0.002 0.000 1.405 459 E CB -0.115 29.587 29.700 0.003 0.000 1.193 459 E HN 0.836 nan 8.360 nan 0.000 0.423 460 Q N 0.000 119.802 119.800 0.003 0.000 2.315 460 Q HA 0.000 4.337 4.340 -0.004 0.000 0.214 460 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 460 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481