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 2r9h_1_A DATA FIRST_RESID 17 DATA SEQUENCE RRRQLIRQLL ERDKTPLAIL FMAAVVGTLV GLAAVAFDKG VAWLQNQRMG DATA SEQUENCE ALVHTADNYP LLLTVAFLCS AVLAMFGYFL VRKYAPEAGG SGIPEIEGAL DATA SEQUENCE EDQRPVRWWR VLPVKFFGGL GTLGGGMVLG REGPTVQIGG NIGRMVLDIF DATA SEQUENCE RLKGDEARHT LLATGAAAGL AAAFNAPLAG ILFIIEEMRP CFRYTLISIK 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 0.000 176.291 176.300 -0.015 0.000 0.893 17 R CA 0.000 56.092 56.100 -0.014 0.000 0.921 17 R CB 0.000 30.292 30.300 -0.014 0.000 0.687 18 R N 1.651 122.144 120.500 -0.012 0.000 2.080 18 R HA 0.147 4.483 4.340 -0.006 0.000 0.222 18 R C 1.795 178.089 176.300 -0.011 0.000 1.107 18 R CA 1.431 57.524 56.100 -0.012 0.000 0.980 18 R CB 0.076 30.370 30.300 -0.009 0.000 0.879 18 R HN 0.173 nan 8.270 nan 0.000 0.439 19 R N 0.213 120.707 120.500 -0.009 0.000 2.081 19 R HA -0.098 4.238 4.340 -0.006 0.000 0.235 19 R C 2.403 178.698 176.300 -0.008 0.000 1.131 19 R CA 1.390 57.486 56.100 -0.007 0.000 0.960 19 R CB -0.263 30.034 30.300 -0.006 0.000 0.856 19 R HN 0.220 nan 8.270 nan 0.000 0.436 20 Q N 0.452 120.246 119.800 -0.010 0.000 2.167 20 Q HA -0.103 4.233 4.340 -0.006 0.000 0.202 20 Q C 2.190 178.180 176.000 -0.016 0.000 0.970 20 Q CA 1.043 56.839 55.803 -0.012 0.000 0.855 20 Q CB -0.207 28.523 28.738 -0.014 0.000 0.911 20 Q HN 0.265 nan 8.270 nan 0.000 0.438 21 L N 0.429 121.640 121.223 -0.019 0.000 2.056 21 L HA -0.093 4.243 4.340 -0.006 0.000 0.207 21 L C 2.157 179.017 176.870 -0.018 0.000 1.078 21 L CA 1.072 55.898 54.840 -0.023 0.000 0.749 21 L CB -0.317 41.728 42.059 -0.024 0.000 0.901 21 L HN 0.103 nan 8.230 nan 0.000 0.433 22 I N -1.065 119.497 120.570 -0.013 0.000 2.264 22 I HA -0.311 3.855 4.170 -0.006 0.000 0.248 22 I C 2.597 178.708 176.117 -0.008 0.000 1.111 22 I CA 0.991 62.285 61.300 -0.010 0.000 1.382 22 I CB -0.297 37.698 38.000 -0.008 0.000 1.060 22 I HN 0.222 nan 8.210 nan 0.000 0.418 23 R N 1.023 121.518 120.500 -0.008 0.000 2.075 23 R HA -0.143 4.193 4.340 -0.006 0.000 0.232 23 R C 2.182 178.479 176.300 -0.005 0.000 1.126 23 R CA 1.629 57.726 56.100 -0.005 0.000 0.963 23 R CB -0.339 29.959 30.300 -0.004 0.000 0.858 23 R HN 0.394 nan 8.270 nan 0.000 0.435 24 Q N -0.368 119.426 119.800 -0.010 0.000 2.049 24 Q HA -0.063 4.273 4.340 -0.006 0.000 0.198 24 Q C 2.157 178.152 176.000 -0.009 0.000 0.971 24 Q CA 1.621 57.417 55.803 -0.011 0.000 0.833 24 Q CB -0.124 28.598 28.738 -0.027 0.000 0.896 24 Q HN 0.297 nan 8.270 nan 0.000 0.434 25 L N 0.374 121.590 121.223 -0.013 0.000 2.043 25 L HA -0.234 4.103 4.340 -0.006 0.000 0.212 25 L C 2.154 179.020 176.870 -0.006 0.000 1.075 25 L CA 1.107 55.940 54.840 -0.011 0.000 0.752 25 L CB -0.372 41.680 42.059 -0.012 0.000 0.891 25 L HN 0.255 nan 8.230 nan 0.000 0.432 26 L N -0.991 120.229 121.223 -0.005 0.000 2.478 26 L HA -0.062 4.274 4.340 -0.006 0.000 0.223 26 L C 1.881 178.751 176.870 -0.001 0.000 1.140 26 L CA 0.371 55.208 54.840 -0.004 0.000 0.842 26 L CB -0.199 41.858 42.059 -0.004 0.000 0.953 26 L HN 0.205 nan 8.230 nan 0.000 0.452 27 E N -0.227 119.974 120.200 0.002 0.000 2.481 27 E HA 0.119 4.466 4.350 -0.006 0.000 0.198 27 E C 0.448 177.055 176.600 0.011 0.000 1.027 27 E CA -0.018 56.386 56.400 0.007 0.000 0.900 27 E CB 0.325 30.031 29.700 0.010 0.000 0.993 27 E HN 0.288 nan 8.360 nan 0.000 0.482 28 R N 1.378 121.883 120.500 0.008 0.000 2.594 28 R HA -0.003 4.333 4.340 -0.006 0.000 0.272 28 R C -0.259 176.046 176.300 0.008 0.000 1.074 28 R CA 0.242 56.349 56.100 0.013 0.000 1.105 28 R CB 0.281 30.585 30.300 0.008 0.000 1.008 28 R HN -0.126 nan 8.270 nan 0.000 0.472 29 D N 1.322 121.729 120.400 0.011 0.000 2.800 29 D HA -0.153 4.483 4.640 -0.006 0.000 0.232 29 D C -1.335 174.965 176.300 -0.000 0.000 1.137 29 D CA 1.210 55.210 54.000 -0.000 0.000 0.718 29 D CB -0.473 40.318 40.800 -0.015 0.000 1.084 29 D HN 0.434 nan 8.370 nan 0.000 0.432 30 K N 0.789 121.195 120.400 0.009 0.000 2.527 30 K HA 0.381 4.697 4.320 -0.006 0.000 0.240 30 K C -0.764 175.844 176.600 0.012 0.000 0.989 30 K CA -0.560 55.732 56.287 0.008 0.000 0.985 30 K CB 1.473 33.978 32.500 0.009 0.000 1.221 30 K HN -0.001 nan 8.250 nan 0.000 0.458 31 T N 3.981 118.541 114.554 0.009 0.000 2.758 31 T HA 0.270 4.616 4.350 -0.006 0.000 0.285 31 T C -2.261 172.446 174.700 0.012 0.000 0.981 31 T CA -1.731 60.377 62.100 0.012 0.000 0.965 31 T CB 0.916 69.791 68.868 0.011 0.000 0.927 31 T HN 0.313 nan 8.240 nan 0.000 0.448 32 P HA 0.007 nan 4.420 nan 0.000 0.260 32 P C 1.076 178.384 177.300 0.014 0.000 1.172 32 P CA -0.171 62.935 63.100 0.010 0.000 0.760 32 P CB 0.629 32.334 31.700 0.009 0.000 0.773 33 L N 3.544 124.774 121.223 0.013 0.000 2.137 33 L HA -0.297 4.040 4.340 -0.006 0.000 0.213 33 L C 2.162 179.056 176.870 0.039 0.000 1.085 33 L CA 2.288 57.143 54.840 0.024 0.000 0.760 33 L CB -0.551 41.513 42.059 0.007 0.000 0.893 33 L HN 0.452 nan 8.230 nan 0.000 0.434 34 A N 0.086 122.916 122.820 0.017 0.000 1.902 34 A HA -0.213 4.103 4.320 -0.006 0.000 0.217 34 A C 2.170 179.777 177.584 0.039 0.000 1.181 34 A CA 2.057 54.105 52.037 0.018 0.000 0.623 34 A CB -0.806 18.193 19.000 -0.002 0.000 0.818 34 A HN 0.540 nan 8.150 nan 0.000 0.443 35 I N -0.377 120.207 120.570 0.023 0.000 2.226 35 I HA -0.259 3.907 4.170 -0.006 0.000 0.245 35 I C 2.397 178.525 176.117 0.018 0.000 1.100 35 I CA 1.080 62.387 61.300 0.012 0.000 1.374 35 I CB -0.324 37.680 38.000 0.007 0.000 1.057 35 I HN 0.321 nan 8.210 nan 0.000 0.413 36 L N -0.373 120.873 121.223 0.038 0.000 1.994 36 L HA -0.254 4.082 4.340 -0.006 0.000 0.208 36 L C 2.592 179.488 176.870 0.043 0.000 1.071 36 L CA 1.555 56.418 54.840 0.039 0.000 0.745 36 L CB -0.698 41.390 42.059 0.049 0.000 0.892 36 L HN 0.178 nan 8.230 nan 0.000 0.431 37 F N -0.135 119.779 119.950 -0.061 0.000 2.171 37 F HA -0.250 4.273 4.527 -0.006 0.000 0.300 37 F C 2.496 178.223 175.800 -0.122 0.000 1.090 37 F CA 1.360 59.312 58.000 -0.079 0.000 1.293 37 F CB 0.025 38.977 39.000 -0.081 0.000 1.013 37 F HN 0.002 nan 8.300 nan 0.000 0.486 38 M N -0.124 119.476 119.600 0.001 0.000 2.319 38 M HA -0.004 4.472 4.480 -0.006 0.000 0.265 38 M C 2.481 178.680 176.300 -0.168 0.000 1.068 38 M CA 1.252 56.466 55.300 -0.143 0.000 1.118 38 M CB -1.760 30.765 32.600 -0.125 0.000 1.395 38 M HN 0.281 nan 8.290 nan 0.000 0.435 39 A N 0.224 122.976 122.820 -0.113 0.000 1.933 39 A HA 0.006 4.323 4.320 -0.006 0.000 0.218 39 A C 2.421 179.927 177.584 -0.130 0.000 1.175 39 A CA 1.908 53.888 52.037 -0.095 0.000 0.628 39 A CB -0.777 18.195 19.000 -0.046 0.000 0.814 39 A HN 0.447 nan 8.150 nan 0.000 0.444 40 A N -0.759 121.946 122.820 -0.191 0.000 1.877 40 A HA -0.052 4.264 4.320 -0.006 0.000 0.216 40 A C 2.317 179.757 177.584 -0.241 0.000 1.186 40 A CA 1.812 53.714 52.037 -0.226 0.000 0.620 40 A CB -1.100 17.703 19.000 -0.328 0.000 0.822 40 A HN 0.763 nan 8.150 nan 0.000 0.443 41 V N -0.177 119.548 119.914 -0.316 0.000 2.515 41 V HA -0.157 3.959 4.120 -0.006 0.000 0.250 41 V C 2.404 178.400 176.094 -0.163 0.000 1.058 41 V CA 2.009 64.157 62.300 -0.253 0.000 1.064 41 V CB -0.310 31.333 31.823 -0.301 0.000 0.675 41 V HN 0.335 nan 8.190 nan 0.000 0.461 42 V N 0.892 120.713 119.914 -0.155 0.000 2.261 42 V HA -0.164 3.953 4.120 -0.006 0.000 0.246 42 V C 2.740 178.779 176.094 -0.092 0.000 1.047 42 V CA 2.288 64.520 62.300 -0.113 0.000 1.015 42 V CB -1.634 30.128 31.823 -0.102 0.000 0.642 42 V HN 0.604 nan 8.190 nan 0.000 0.446 43 G N -0.328 108.418 108.800 -0.090 0.000 2.446 43 G HA2 -0.268 3.689 3.960 -0.006 0.000 0.217 43 G HA3 -0.268 3.689 3.960 -0.006 0.000 0.217 43 G C 1.681 176.546 174.900 -0.059 0.000 1.168 43 G CA 1.659 46.717 45.100 -0.070 0.000 0.771 43 G HN 0.480 nan 8.290 nan 0.000 0.551 44 T N 1.430 115.942 114.554 -0.070 0.000 2.665 44 T HA -0.109 4.237 4.350 -0.006 0.000 0.268 44 T C 2.403 177.079 174.700 -0.040 0.000 1.035 44 T CA 1.208 63.278 62.100 -0.050 0.000 1.151 44 T CB -0.260 68.566 68.868 -0.070 0.000 0.862 44 T HN 0.158 nan 8.240 nan 0.000 0.438 45 L N 0.590 121.780 121.223 -0.055 0.000 2.027 45 L HA -0.068 4.268 4.340 -0.006 0.000 0.206 45 L C 2.723 179.565 176.870 -0.048 0.000 1.074 45 L CA 0.870 55.680 54.840 -0.050 0.000 0.745 45 L CB -0.645 41.379 42.059 -0.058 0.000 0.898 45 L HN 0.146 nan 8.230 nan 0.000 0.433 46 V N 0.156 120.039 119.914 -0.052 0.000 2.392 46 V HA -0.223 3.893 4.120 -0.006 0.000 0.249 46 V C 2.573 178.646 176.094 -0.035 0.000 1.059 46 V CA 1.925 64.195 62.300 -0.050 0.000 1.051 46 V CB -1.367 30.419 31.823 -0.061 0.000 0.658 46 V HN 0.581 nan 8.190 nan 0.000 0.455 47 G N 0.154 108.941 108.800 -0.021 0.000 2.453 47 G HA2 -0.204 3.753 3.960 -0.006 0.000 0.215 47 G HA3 -0.204 3.753 3.960 -0.006 0.000 0.215 47 G C 1.547 176.448 174.900 0.001 0.000 1.201 47 G CA 1.034 46.142 45.100 0.013 0.000 0.784 47 G HN 0.455 nan 8.290 nan 0.000 0.545 48 L N 0.900 122.107 121.223 -0.027 0.000 2.043 48 L HA -0.155 4.181 4.340 -0.006 0.000 0.212 48 L C 3.443 180.272 176.870 -0.069 0.000 1.075 48 L CA 1.194 55.979 54.840 -0.091 0.000 0.752 48 L CB -0.599 41.414 42.059 -0.077 0.000 0.891 48 L HN 0.324 nan 8.230 nan 0.000 0.432 49 A N 0.209 123.014 122.820 -0.024 0.000 1.865 49 A HA -0.208 4.109 4.320 -0.006 0.000 0.217 49 A C 2.569 180.228 177.584 0.124 0.000 1.191 49 A CA 2.004 54.066 52.037 0.042 0.000 0.623 49 A CB -0.833 18.174 19.000 0.012 0.000 0.826 49 A HN 0.412 nan 8.150 nan 0.000 0.444 50 A N -0.740 122.107 122.820 0.045 0.000 1.902 50 A HA 0.001 4.317 4.320 -0.006 0.000 0.217 50 A C 2.260 179.910 177.584 0.110 0.000 1.181 50 A CA 1.831 53.894 52.037 0.043 0.000 0.623 50 A CB -0.975 18.016 19.000 -0.015 0.000 0.818 50 A HN 0.395 nan 8.150 nan 0.000 0.443 51 V N -0.148 119.792 119.914 0.043 0.000 2.261 51 V HA -0.272 3.844 4.120 -0.006 0.000 0.246 51 V C 3.092 179.156 176.094 -0.049 0.000 1.047 51 V CA 2.068 64.344 62.300 -0.040 0.000 1.015 51 V CB -1.278 30.392 31.823 -0.254 0.000 0.642 51 V HN 0.627 nan 8.190 nan 0.000 0.446 52 A N -0.643 122.154 122.820 -0.039 0.000 1.908 52 A HA -0.280 4.036 4.320 -0.006 0.000 0.218 52 A C 2.140 179.767 177.584 0.071 0.000 1.181 52 A CA 2.244 54.292 52.037 0.019 0.000 0.627 52 A CB -0.798 18.254 19.000 0.087 0.000 0.818 52 A HN 0.562 nan 8.150 nan 0.000 0.445 53 F N 0.873 120.801 119.950 -0.037 0.000 2.102 53 F HA -0.206 4.317 4.527 -0.007 0.000 0.298 53 F C 1.951 177.628 175.800 -0.205 0.000 1.105 53 F CA 2.177 59.993 58.000 -0.306 0.000 1.239 53 F CB -0.161 38.674 39.000 -0.274 0.000 0.991 53 F HN 0.323 nan 8.300 nan 0.000 0.474 54 D N 0.213 120.697 120.400 0.140 0.000 2.117 54 D HA -0.162 4.474 4.640 -0.006 0.000 0.197 54 D C 2.052 178.340 176.300 -0.020 0.000 0.987 54 D CA 1.171 55.225 54.000 0.090 0.000 0.829 54 D CB -0.069 40.822 40.800 0.152 0.000 0.961 54 D HN 0.129 nan 8.370 nan 0.000 0.460 55 K N 0.038 120.418 120.400 -0.033 0.000 2.057 55 K HA -0.037 4.279 4.320 -0.006 0.000 0.207 55 K C 2.209 178.793 176.600 -0.028 0.000 1.049 55 K CA 1.158 57.435 56.287 -0.017 0.000 0.931 55 K CB -0.932 31.550 32.500 -0.030 0.000 0.714 55 K HN 0.248 nan 8.250 nan 0.000 0.440 56 G N 1.383 110.093 108.800 -0.150 0.000 2.459 56 G HA2 -0.225 3.731 3.960 -0.006 0.000 0.217 56 G HA3 -0.225 3.731 3.960 -0.006 0.000 0.217 56 G C 1.744 176.559 174.900 -0.142 0.000 1.183 56 G CA 1.081 46.066 45.100 -0.191 0.000 0.776 56 G HN 0.122 nan 8.290 nan 0.000 0.552 57 V N 1.690 121.423 119.914 -0.303 0.000 2.287 57 V HA -0.174 3.943 4.120 -0.006 0.000 0.248 57 V C 3.344 179.403 176.094 -0.058 0.000 1.053 57 V CA 2.142 64.305 62.300 -0.227 0.000 1.027 57 V CB -1.038 30.614 31.823 -0.285 0.000 0.646 57 V HN 0.505 nan 8.190 nan 0.000 0.447 58 A N -0.909 121.905 122.820 -0.010 0.000 1.865 58 A HA -0.301 4.015 4.320 -0.006 0.000 0.217 58 A C 1.982 179.603 177.584 0.062 0.000 1.191 58 A CA 2.080 54.138 52.037 0.035 0.000 0.623 58 A CB -1.072 17.960 19.000 0.054 0.000 0.826 58 A HN 0.718 nan 8.150 nan 0.000 0.444 59 W N 0.418 121.673 121.300 -0.075 0.000 2.325 59 W HA -0.180 4.477 4.660 -0.005 0.000 0.299 59 W C 1.769 178.248 176.519 -0.067 0.000 1.215 59 W CA 2.056 59.363 57.345 -0.062 0.000 1.244 59 W CB -0.168 29.252 29.460 -0.067 0.000 1.140 59 W HN 0.277 nan 8.180 nan 0.000 0.523 60 L N -0.298 121.011 121.223 0.143 0.000 2.131 60 L HA -0.150 4.186 4.340 -0.006 0.000 0.206 60 L C 2.570 179.375 176.870 -0.109 0.000 1.087 60 L CA 1.192 56.034 54.840 0.004 0.000 0.767 60 L CB -0.863 41.236 42.059 0.066 0.000 0.917 60 L HN -0.017 nan 8.230 nan 0.000 0.441 61 Q N -0.315 119.443 119.800 -0.070 0.000 2.224 61 Q HA -0.202 4.134 4.340 -0.006 0.000 0.203 61 Q C 1.984 177.926 176.000 -0.096 0.000 0.970 61 Q CA 1.335 57.101 55.803 -0.062 0.000 0.865 61 Q CB -0.186 28.539 28.738 -0.022 0.000 0.922 61 Q HN 0.509 nan 8.270 nan 0.000 0.445 62 N N 0.117 118.726 118.700 -0.152 0.000 2.106 62 N HA -0.196 4.540 4.740 -0.006 0.000 0.188 62 N C 1.615 176.964 175.510 -0.268 0.000 1.029 62 N CA 0.947 53.879 53.050 -0.198 0.000 0.848 62 N CB 0.200 38.542 38.487 -0.241 0.000 1.007 62 N HN 0.218 nan 8.380 nan 0.000 0.423 63 Q N 0.928 120.478 119.800 -0.417 0.000 2.096 63 Q HA -0.091 4.245 4.340 -0.006 0.000 0.204 63 Q C 2.157 178.023 176.000 -0.223 0.000 0.982 63 Q CA 1.103 56.663 55.803 -0.405 0.000 0.850 63 Q CB -0.436 27.966 28.738 -0.558 0.000 0.901 63 Q HN 0.492 nan 8.270 nan 0.000 0.422 64 R N -0.315 120.083 120.500 -0.169 0.000 2.105 64 R HA -0.047 4.289 4.340 -0.006 0.000 0.239 64 R C 2.186 178.440 176.300 -0.076 0.000 1.135 64 R CA 1.068 57.106 56.100 -0.103 0.000 0.967 64 R CB -0.137 30.119 30.300 -0.073 0.000 0.861 64 R HN 0.236 nan 8.270 nan 0.000 0.442 65 M N -0.657 118.902 119.600 -0.068 0.000 2.319 65 M HA 0.005 4.481 4.480 -0.006 0.000 0.265 65 M C 2.245 178.525 176.300 -0.033 0.000 1.068 65 M CA 1.143 56.427 55.300 -0.026 0.000 1.118 65 M CB -0.996 31.598 32.600 -0.011 0.000 1.395 65 M HN 0.245 nan 8.290 nan 0.000 0.435 66 G N -0.142 108.614 108.800 -0.074 0.000 2.408 66 G HA2 -0.032 3.924 3.960 -0.006 0.000 0.217 66 G HA3 -0.032 3.924 3.960 -0.006 0.000 0.217 66 G C 1.642 176.521 174.900 -0.034 0.000 1.150 66 G CA 0.984 46.045 45.100 -0.064 0.000 0.776 66 G HN 0.521 nan 8.290 nan 0.000 0.542 67 A N 0.595 123.381 122.820 -0.057 0.000 1.930 67 A HA 0.179 4.495 4.320 -0.006 0.000 0.217 67 A C 2.361 179.944 177.584 -0.001 0.000 1.175 67 A CA 0.910 52.926 52.037 -0.034 0.000 0.627 67 A CB -0.318 18.641 19.000 -0.068 0.000 0.815 67 A HN 0.340 nan 8.150 nan 0.000 0.443 68 L N -0.495 120.706 121.223 -0.037 0.000 2.201 68 L HA -0.125 4.211 4.340 -0.006 0.000 0.212 68 L C 2.331 179.199 176.870 -0.003 0.000 1.105 68 L CA 0.716 55.518 54.840 -0.064 0.000 0.775 68 L CB -0.479 41.531 42.059 -0.082 0.000 0.913 68 L HN 0.241 nan 8.230 nan 0.000 0.440 69 V N -0.919 119.014 119.914 0.032 0.000 2.488 69 V HA -0.259 3.857 4.120 -0.006 0.000 0.246 69 V C 2.323 178.449 176.094 0.052 0.000 1.046 69 V CA 1.619 63.947 62.300 0.046 0.000 1.053 69 V CB -0.605 31.244 31.823 0.043 0.000 0.679 69 V HN 0.484 nan 8.190 nan 0.000 0.458 70 H N 1.120 120.175 119.070 -0.024 0.000 2.518 70 H HA -0.086 4.466 4.556 -0.006 0.000 0.289 70 H C 1.495 176.810 175.328 -0.023 0.000 1.051 70 H CA 1.680 57.714 56.048 -0.022 0.000 1.280 70 H CB 0.163 29.907 29.762 -0.029 0.000 1.380 70 H HN 0.569 nan 8.280 nan 0.000 0.566 71 T N -3.587 110.964 114.554 -0.005 0.000 3.487 71 T HA 0.514 4.860 4.350 -0.006 0.000 0.287 71 T C 1.153 175.827 174.700 -0.043 0.000 1.004 71 T CA -0.079 61.992 62.100 -0.047 0.000 0.977 71 T CB 0.276 69.135 68.868 -0.016 0.000 1.180 71 T HN 0.300 nan 8.240 nan 0.000 0.490 72 A N 1.496 124.305 122.820 -0.020 0.000 2.235 72 A HA 0.127 4.443 4.320 -0.006 0.000 0.208 72 A C 1.834 179.448 177.584 0.050 0.000 1.172 72 A CA 0.944 52.996 52.037 0.026 0.000 0.786 72 A CB -0.305 18.724 19.000 0.049 0.000 0.804 72 A HN 0.717 nan 8.150 nan 0.000 0.479 73 D N -0.128 120.284 120.400 0.020 0.000 2.232 73 D HA -0.070 4.567 4.640 -0.006 0.000 0.220 73 D C 0.766 177.105 176.300 0.066 0.000 0.982 73 D CA 0.503 54.526 54.000 0.038 0.000 0.892 73 D CB -1.031 39.772 40.800 0.006 0.000 1.040 73 D HN 0.327 nan 8.370 nan 0.000 0.463 74 N N -0.349 118.374 118.700 0.038 0.000 2.406 74 N HA -0.012 4.724 4.740 -0.006 0.000 0.265 74 N C 0.159 175.714 175.510 0.076 0.000 1.203 74 N CA -0.261 52.822 53.050 0.056 0.000 0.945 74 N CB 0.218 38.716 38.487 0.020 0.000 1.165 74 N HN 0.082 nan 8.380 nan 0.000 0.485 75 Y N 5.990 126.301 120.300 0.018 0.000 2.114 75 Y HA -0.030 4.516 4.550 -0.006 0.000 0.284 75 Y C -0.992 174.917 175.900 0.015 0.000 1.143 75 Y CA 1.569 59.690 58.100 0.036 0.000 1.135 75 Y CB -0.553 37.942 38.460 0.059 0.000 0.980 75 Y HN 0.647 nan 8.280 nan 0.000 0.499 76 P HA -0.174 nan 4.420 nan 0.000 0.218 76 P C 1.627 178.899 177.300 -0.046 0.000 1.149 76 P CA 1.264 64.388 63.100 0.039 0.000 0.817 76 P CB -0.103 31.638 31.700 0.069 0.000 0.785 77 L N -0.991 120.209 121.223 -0.038 0.000 2.156 77 L HA -0.057 4.279 4.340 -0.006 0.000 0.208 77 L C 2.014 178.819 176.870 -0.108 0.000 1.095 77 L CA 1.527 56.335 54.840 -0.053 0.000 0.770 77 L CB -1.420 40.623 42.059 -0.026 0.000 0.914 77 L HN -0.131 nan 8.230 nan 0.000 0.439 78 L N -0.771 120.345 121.223 -0.179 0.000 2.056 78 L HA -0.139 4.197 4.340 -0.006 0.000 0.207 78 L C 2.204 178.830 176.870 -0.407 0.000 1.078 78 L CA 1.785 56.439 54.840 -0.311 0.000 0.749 78 L CB -0.618 41.206 42.059 -0.392 0.000 0.901 78 L HN 0.265 nan 8.230 nan 0.000 0.433 79 L N -1.138 119.853 121.223 -0.387 0.000 2.275 79 L HA -0.156 4.180 4.340 -0.006 0.000 0.215 79 L C 2.168 178.969 176.870 -0.114 0.000 1.119 79 L CA 1.323 55.997 54.840 -0.276 0.000 0.790 79 L CB -1.024 40.916 42.059 -0.198 0.000 0.919 79 L HN 0.341 nan 8.230 nan 0.000 0.443 80 T N -0.228 114.269 114.554 -0.096 0.000 2.732 80 T HA -0.130 4.216 4.350 -0.006 0.000 0.261 80 T C 1.895 176.607 174.700 0.019 0.000 1.040 80 T CA 1.487 63.572 62.100 -0.026 0.000 1.145 80 T CB -0.444 68.403 68.868 -0.035 0.000 0.866 80 T HN 0.334 nan 8.240 nan 0.000 0.427 81 V N 0.588 120.477 119.914 -0.041 0.000 2.913 81 V HA 0.168 4.284 4.120 -0.006 0.000 0.260 81 V C 2.480 178.543 176.094 -0.052 0.000 1.098 81 V CA 1.075 63.354 62.300 -0.035 0.000 1.121 81 V CB -1.476 30.315 31.823 -0.053 0.000 0.714 81 V HN 0.429 nan 8.190 nan 0.000 0.487 82 A N 0.393 123.160 122.820 -0.088 0.000 1.854 82 A HA -0.015 4.301 4.320 -0.006 0.000 0.214 82 A C 2.028 179.622 177.584 0.018 0.000 1.192 82 A CA 1.650 53.639 52.037 -0.080 0.000 0.611 82 A CB -0.838 18.064 19.000 -0.162 0.000 0.832 82 A HN 0.604 nan 8.150 nan 0.000 0.442 83 F N 0.680 120.593 119.950 -0.062 0.000 2.075 83 F HA -0.142 4.380 4.527 -0.007 0.000 0.297 83 F C 1.987 177.779 175.800 -0.014 0.000 1.113 83 F CA 1.810 59.796 58.000 -0.023 0.000 1.218 83 F CB -0.331 38.658 39.000 -0.020 0.000 0.984 83 F HN 0.137 nan 8.300 nan 0.000 0.472 84 L N -0.636 120.732 121.223 0.242 0.000 1.989 84 L HA -0.327 4.009 4.340 -0.006 0.000 0.211 84 L C 2.687 179.558 176.870 0.003 0.000 1.071 84 L CA 1.655 56.581 54.840 0.144 0.000 0.749 84 L CB -1.158 40.979 42.059 0.130 0.000 0.890 84 L HN 0.289 nan 8.230 nan 0.000 0.431 85 C N -0.935 118.357 119.300 -0.013 0.000 2.401 85 C HA -0.181 4.275 4.460 -0.006 0.000 0.276 85 C C 3.135 178.092 174.990 -0.056 0.000 1.233 85 C CA 1.277 60.274 59.018 -0.035 0.000 1.753 85 C CB -0.847 26.866 27.740 -0.044 0.000 2.029 85 C HN 0.508 nan 8.230 nan 0.000 0.478 86 S N 0.396 116.039 115.700 -0.096 0.000 2.387 86 S HA -0.007 4.459 4.470 -0.006 0.000 0.226 86 S C 2.162 176.673 174.600 -0.148 0.000 1.026 86 S CA 1.102 59.234 58.200 -0.115 0.000 0.972 86 S CB -0.350 62.767 63.200 -0.139 0.000 0.814 86 S HN 0.707 nan 8.310 nan 0.000 0.477 87 A N 1.249 123.912 122.820 -0.261 0.000 1.855 87 A HA -0.034 4.282 4.320 -0.006 0.000 0.215 87 A C 2.309 179.866 177.584 -0.046 0.000 1.191 87 A CA 1.453 53.352 52.037 -0.231 0.000 0.613 87 A CB -1.020 17.791 19.000 -0.315 0.000 0.829 87 A HN 0.317 nan 8.150 nan 0.000 0.442 88 V N -0.059 119.849 119.914 -0.010 0.000 2.332 88 V HA -0.274 3.842 4.120 -0.006 0.000 0.248 88 V C 2.567 178.724 176.094 0.105 0.000 1.055 88 V CA 2.126 64.457 62.300 0.052 0.000 1.038 88 V CB -0.702 31.145 31.823 0.040 0.000 0.651 88 V HN 0.549 nan 8.190 nan 0.000 0.450 89 L N -0.502 120.759 121.223 0.064 0.000 2.156 89 L HA -0.044 4.292 4.340 -0.006 0.000 0.208 89 L C 2.618 179.596 176.870 0.180 0.000 1.095 89 L CA 1.249 56.139 54.840 0.084 0.000 0.770 89 L CB -0.630 41.433 42.059 0.007 0.000 0.914 89 L HN 0.328 nan 8.230 nan 0.000 0.439 90 A N -0.099 122.815 122.820 0.156 0.000 1.855 90 A HA -0.221 4.095 4.320 -0.006 0.000 0.215 90 A C 2.304 180.118 177.584 0.384 0.000 1.191 90 A CA 1.609 53.806 52.037 0.266 0.000 0.613 90 A CB -0.474 18.643 19.000 0.193 0.000 0.829 90 A HN 0.295 nan 8.150 nan 0.000 0.442 91 M N -1.979 117.762 119.600 0.236 0.000 2.082 91 M HA -0.161 4.315 4.480 -0.006 0.000 0.258 91 M C 2.153 178.640 176.300 0.310 0.000 1.069 91 M CA 1.979 57.409 55.300 0.217 0.000 1.102 91 M CB -0.575 32.089 32.600 0.106 0.000 1.336 91 M HN 0.502 nan 8.290 nan 0.000 0.404 92 F N 0.998 121.048 119.950 0.166 0.000 2.120 92 F HA -0.166 4.357 4.527 -0.006 0.000 0.300 92 F C 2.176 178.123 175.800 0.244 0.000 1.095 92 F CA 1.908 60.027 58.000 0.198 0.000 1.249 92 F CB -0.698 38.385 39.000 0.139 0.000 0.995 92 F HN 0.074 nan 8.300 nan 0.000 0.480 93 G N -1.581 107.500 108.800 0.468 0.000 2.404 93 G HA2 -0.265 3.691 3.960 -0.006 0.000 0.214 93 G HA3 -0.265 3.691 3.960 -0.006 0.000 0.214 93 G C 1.443 176.419 174.900 0.126 0.000 1.189 93 G CA 0.741 46.013 45.100 0.286 0.000 0.789 93 G HN 0.418 nan 8.290 nan 0.000 0.533 94 Y N -0.149 120.198 120.300 0.078 0.000 2.151 94 Y HA -0.137 4.409 4.550 -0.007 0.000 0.284 94 Y C 2.387 178.245 175.900 -0.071 0.000 1.166 94 Y CA 1.680 59.761 58.100 -0.031 0.000 1.163 94 Y CB -0.475 37.996 38.460 0.017 0.000 0.974 94 Y HN 0.256 nan 8.280 nan 0.000 0.511 95 F N -0.333 119.640 119.950 0.038 0.000 2.051 95 F HA -0.245 4.278 4.527 -0.007 0.000 0.296 95 F C 2.104 177.849 175.800 -0.092 0.000 1.122 95 F CA 1.209 59.169 58.000 -0.066 0.000 1.201 95 F CB -0.447 38.498 39.000 -0.093 0.000 0.978 95 F HN -0.113 nan 8.300 nan 0.000 0.472 96 L N 0.184 121.294 121.223 -0.189 0.000 2.263 96 L HA -0.215 4.121 4.340 -0.006 0.000 0.216 96 L C 2.230 179.020 176.870 -0.135 0.000 1.111 96 L CA 1.167 55.903 54.840 -0.173 0.000 0.773 96 L CB -1.087 40.950 42.059 -0.036 0.000 0.906 96 L HN 0.204 nan 8.230 nan 0.000 0.439 97 V N -0.845 118.956 119.914 -0.188 0.000 2.300 97 V HA -0.131 3.985 4.120 -0.006 0.000 0.241 97 V C 2.566 178.482 176.094 -0.298 0.000 1.034 97 V CA 1.033 63.201 62.300 -0.219 0.000 1.021 97 V CB -0.353 31.308 31.823 -0.271 0.000 0.662 97 V HN 0.349 nan 8.190 nan 0.000 0.458 98 R N 0.407 120.677 120.500 -0.383 0.000 2.148 98 R HA -0.105 4.231 4.340 -0.006 0.000 0.227 98 R C 2.146 178.203 176.300 -0.405 0.000 1.103 98 R CA 1.044 56.906 56.100 -0.397 0.000 0.983 98 R CB -0.434 29.628 30.300 -0.397 0.000 0.874 98 R HN 0.337 nan 8.270 nan 0.000 0.451 99 K N -0.351 119.687 120.400 -0.604 0.000 2.137 99 K HA -0.028 4.288 4.320 -0.006 0.000 0.202 99 K C 1.107 177.183 176.600 -0.874 0.000 1.052 99 K CA 1.297 57.059 56.287 -0.876 0.000 0.961 99 K CB 0.126 31.712 32.500 -1.524 0.000 0.741 99 K HN 0.158 nan 8.250 nan 0.000 0.452 100 Y N -1.888 118.225 120.300 -0.310 0.000 2.701 100 Y HA 0.485 5.031 4.550 -0.007 0.000 0.275 100 Y C 0.050 175.846 175.900 -0.173 0.000 1.133 100 Y CA -0.155 57.820 58.100 -0.209 0.000 1.241 100 Y CB 0.827 39.171 38.460 -0.192 0.000 1.389 100 Y HN -0.021 nan 8.280 nan 0.000 0.486 101 A N 0.548 123.339 122.820 -0.049 0.000 2.745 101 A HA 0.486 4.802 4.320 -0.006 0.000 0.301 101 A C -2.476 175.027 177.584 -0.136 0.000 1.188 101 A CA -1.199 50.781 52.037 -0.095 0.000 0.746 101 A CB 0.534 19.477 19.000 -0.095 0.000 1.207 101 A HN -0.019 nan 8.150 nan 0.000 0.432 102 P HA -0.176 nan 4.420 nan 0.000 0.218 102 P C 1.202 178.420 177.300 -0.136 0.000 1.149 102 P CA 1.542 64.544 63.100 -0.163 0.000 0.817 102 P CB 0.192 31.817 31.700 -0.125 0.000 0.785 103 E N 0.091 120.225 120.200 -0.110 0.000 2.333 103 E HA -0.072 4.275 4.350 -0.006 0.000 0.198 103 E C 1.358 177.900 176.600 -0.097 0.000 1.007 103 E CA 0.897 57.241 56.400 -0.093 0.000 0.845 103 E CB -0.768 28.878 29.700 -0.089 0.000 0.766 103 E HN 0.122 nan 8.360 nan 0.000 0.507 104 A N 1.551 124.304 122.820 -0.112 0.000 2.411 104 A HA 0.334 4.650 4.320 -0.006 0.000 0.251 104 A C 0.973 178.484 177.584 -0.123 0.000 1.317 104 A CA 0.108 52.084 52.037 -0.102 0.000 0.904 104 A CB -0.220 18.728 19.000 -0.087 0.000 0.993 104 A HN 0.274 nan 8.150 nan 0.000 0.504 105 G N -1.794 106.919 108.800 -0.144 0.000 2.537 105 G HA2 0.534 4.490 3.960 -0.006 0.000 0.273 105 G HA3 0.534 4.490 3.960 -0.006 0.000 0.273 105 G C 0.862 175.668 174.900 -0.157 0.000 1.189 105 G CA 0.167 45.161 45.100 -0.177 0.000 0.881 105 G HN 1.352 nan 8.290 nan 0.000 0.535 106 G N 0.027 108.693 108.800 -0.223 0.000 2.596 106 G HA2 -0.288 3.668 3.960 -0.006 0.000 0.295 106 G HA3 -0.288 3.668 3.960 -0.006 0.000 0.295 106 G C 1.600 176.473 174.900 -0.044 0.000 1.240 106 G CA 1.278 46.168 45.100 -0.351 0.000 0.985 106 G HN 1.609 nan 8.290 nan 0.000 0.555 107 S N -0.356 115.457 115.700 0.188 0.000 2.343 107 S HA 0.289 4.755 4.470 -0.006 0.000 0.212 107 S C 2.337 176.983 174.600 0.077 0.000 1.033 107 S CA 3.084 61.472 58.200 0.314 0.000 1.004 107 S CB -0.713 62.778 63.200 0.485 0.000 0.977 107 S HN 2.818 nan 8.310 nan 0.000 0.427 108 G N -0.120 108.697 108.800 0.027 0.000 2.211 108 G HA2 -0.168 3.789 3.960 -0.006 0.000 0.201 108 G HA3 -0.168 3.789 3.960 -0.006 0.000 0.201 108 G C 0.828 175.679 174.900 -0.083 0.000 0.997 108 G CA 0.309 45.386 45.100 -0.038 0.000 0.652 108 G HN 0.512 nan 8.290 nan 0.000 0.500 109 I N 1.326 121.805 120.570 -0.150 0.000 2.252 109 I HA -0.057 4.109 4.170 -0.006 0.000 0.245 109 I C 0.069 176.050 176.117 -0.228 0.000 1.102 109 I CA 1.543 62.680 61.300 -0.270 0.000 1.385 109 I CB -0.821 36.807 38.000 -0.621 0.000 1.064 109 I HN 0.136 nan 8.210 nan 0.000 0.414 110 P HA -0.139 nan 4.420 nan 0.000 0.218 110 P C 1.374 178.652 177.300 -0.036 0.000 1.149 110 P CA 1.176 64.252 63.100 -0.040 0.000 0.817 110 P CB -0.023 31.718 31.700 0.069 0.000 0.785 111 E N -0.548 119.628 120.200 -0.041 0.000 2.106 111 E HA -0.111 4.235 4.350 -0.006 0.000 0.192 111 E C 1.924 178.497 176.600 -0.045 0.000 0.984 111 E CA 0.978 57.354 56.400 -0.039 0.000 0.806 111 E CB -0.516 29.157 29.700 -0.045 0.000 0.750 111 E HN 0.244 nan 8.360 nan 0.000 0.458 112 I N 1.167 121.701 120.570 -0.060 0.000 2.353 112 I HA -0.147 4.019 4.170 -0.006 0.000 0.248 112 I C 2.208 178.287 176.117 -0.063 0.000 1.119 112 I CA 0.843 62.110 61.300 -0.056 0.000 1.417 112 I CB -1.012 36.952 38.000 -0.061 0.000 1.078 112 I HN 0.113 nan 8.210 nan 0.000 0.421 113 E N 1.039 121.191 120.200 -0.081 0.000 2.058 113 E HA -0.192 4.154 4.350 -0.006 0.000 0.194 113 E C 2.276 178.836 176.600 -0.068 0.000 0.997 113 E CA 1.482 57.828 56.400 -0.090 0.000 0.801 113 E CB -0.268 29.381 29.700 -0.084 0.000 0.746 113 E HN 0.546 nan 8.360 nan 0.000 0.450 114 G N 1.170 109.945 108.800 -0.043 0.000 2.446 114 G HA2 -0.274 3.683 3.960 -0.006 0.000 0.217 114 G HA3 -0.274 3.683 3.960 -0.006 0.000 0.217 114 G C 1.697 176.590 174.900 -0.011 0.000 1.168 114 G CA 1.096 46.181 45.100 -0.025 0.000 0.771 114 G HN 0.368 nan 8.290 nan 0.000 0.551 115 A N 0.176 122.992 122.820 -0.006 0.000 2.024 115 A HA 0.076 4.392 4.320 -0.006 0.000 0.220 115 A C 2.375 179.993 177.584 0.056 0.000 1.164 115 A CA 1.281 53.332 52.037 0.023 0.000 0.643 115 A CB -0.306 18.703 19.000 0.015 0.000 0.806 115 A HN 0.382 nan 8.150 nan 0.000 0.451 116 L N -0.740 120.486 121.223 0.005 0.000 2.240 116 L HA -0.037 4.300 4.340 -0.006 0.000 0.211 116 L C 1.782 178.578 176.870 -0.122 0.000 1.106 116 L CA 0.738 55.553 54.840 -0.042 0.000 0.793 116 L CB -0.138 41.842 42.059 -0.131 0.000 0.927 116 L HN 0.312 nan 8.230 nan 0.000 0.446 117 E N -0.692 119.471 120.200 -0.060 0.000 2.489 117 E HA -0.050 4.296 4.350 -0.006 0.000 0.193 117 E C -0.423 176.199 176.600 0.037 0.000 1.057 117 E CA 0.131 56.505 56.400 -0.044 0.000 0.866 117 E CB 0.022 29.695 29.700 -0.045 0.000 0.916 117 E HN 0.293 nan 8.360 nan 0.000 0.500 118 D N 1.326 121.781 120.400 0.092 0.000 2.699 118 D HA -0.162 4.474 4.640 -0.006 0.000 0.239 118 D C 0.489 176.822 176.300 0.055 0.000 1.136 118 D CA 0.569 54.627 54.000 0.096 0.000 0.668 118 D CB -0.712 40.159 40.800 0.117 0.000 1.060 118 D HN 0.301 nan 8.370 nan 0.000 0.429 119 Q N -1.003 118.820 119.800 0.038 0.000 2.185 119 Q HA 0.134 4.470 4.340 -0.006 0.000 0.234 119 Q C 0.512 176.525 176.000 0.021 0.000 0.819 119 Q CA 0.260 56.079 55.803 0.027 0.000 0.961 119 Q CB 1.441 30.190 28.738 0.018 0.000 1.140 119 Q HN 0.221 nan 8.270 nan 0.000 0.492 120 R N 1.179 121.691 120.500 0.020 0.000 2.651 120 R HA 0.525 4.861 4.340 -0.006 0.000 0.278 120 R C -2.652 173.657 176.300 0.016 0.000 1.010 120 R CA -1.766 54.341 56.100 0.011 0.000 0.896 120 R CB 1.396 31.694 30.300 -0.003 0.000 1.211 120 R HN -0.070 nan 8.270 nan 0.000 0.456 121 P HA 0.292 nan 4.420 nan 0.000 0.281 121 P C -0.469 176.816 177.300 -0.026 0.000 1.249 121 P CA -0.557 62.553 63.100 0.017 0.000 0.810 121 P CB 1.001 32.718 31.700 0.029 0.000 1.008 122 V N 3.705 123.612 119.914 -0.011 0.000 2.240 122 V HA 0.255 4.371 4.120 -0.006 0.000 0.265 122 V C 0.982 176.938 176.094 -0.230 0.000 1.073 122 V CA -0.452 61.817 62.300 -0.052 0.000 0.857 122 V CB -0.254 31.598 31.823 0.047 0.000 1.114 122 V HN 0.417 nan 8.190 nan 0.000 0.469 123 R N 4.769 124.946 120.500 -0.538 0.000 4.138 123 R HA 0.074 4.410 4.340 -0.006 0.000 0.206 123 R C 1.405 176.883 176.300 -1.370 0.000 1.667 123 R CA -0.271 54.947 56.100 -1.469 0.000 1.481 123 R CB 0.103 29.741 30.300 -1.104 0.000 1.388 123 R HN 0.936 nan 8.270 nan 0.000 0.776 124 W N 1.452 122.248 121.300 -0.841 0.000 2.342 124 W HA -0.238 4.418 4.660 -0.007 0.000 0.297 124 W C 0.861 177.234 176.519 -0.244 0.000 1.213 124 W CA 0.717 57.851 57.345 -0.350 0.000 1.251 124 W CB -1.143 28.265 29.460 -0.087 0.000 1.136 124 W HN 0.507 nan 8.180 nan 0.000 0.526 125 W N 1.761 122.565 121.300 -0.826 0.000 2.359 125 W HA -0.018 4.638 4.660 -0.006 0.000 0.275 125 W C 2.144 178.509 176.519 -0.258 0.000 1.217 125 W CA 1.611 58.555 57.345 -0.668 0.000 1.196 125 W CB -1.300 27.609 29.460 -0.919 0.000 1.129 125 W HN -0.200 nan 8.180 nan 0.000 0.566 126 R N 0.386 120.519 120.500 -0.612 0.000 2.072 126 R HA 0.041 4.377 4.340 -0.006 0.000 0.214 126 R C 2.232 178.421 176.300 -0.184 0.000 1.168 126 R CA 1.185 57.097 56.100 -0.314 0.000 1.020 126 R CB -0.710 29.359 30.300 -0.385 0.000 0.914 126 R HN 0.137 nan 8.270 nan 0.000 0.449 127 V N 2.163 121.941 119.914 -0.226 0.000 2.358 127 V HA -0.203 3.913 4.120 -0.006 0.000 0.246 127 V C 2.433 178.527 176.094 0.001 0.000 1.047 127 V CA 1.506 63.743 62.300 -0.105 0.000 1.035 127 V CB -0.530 31.217 31.823 -0.126 0.000 0.658 127 V HN 0.255 nan 8.190 nan 0.000 0.452 128 L N 0.633 121.878 121.223 0.037 0.000 1.978 128 L HA -0.170 4.166 4.340 -0.006 0.000 0.218 128 L C 0.390 177.354 176.870 0.157 0.000 1.075 128 L CA 2.304 57.203 54.840 0.097 0.000 0.767 128 L CB -2.154 39.980 42.059 0.125 0.000 0.890 128 L HN 0.376 nan 8.230 nan 0.000 0.434 129 P HA -0.094 nan 4.420 nan 0.000 0.219 129 P C 1.882 179.395 177.300 0.356 0.000 1.150 129 P CA 1.216 64.512 63.100 0.326 0.000 0.814 129 P CB 0.087 31.878 31.700 0.151 0.000 0.787 130 V N 0.487 120.497 119.914 0.160 0.000 2.323 130 V HA -0.162 3.954 4.120 -0.006 0.000 0.244 130 V C 2.769 178.956 176.094 0.155 0.000 1.041 130 V CA 1.976 64.349 62.300 0.121 0.000 1.025 130 V CB -0.991 30.846 31.823 0.022 0.000 0.656 130 V HN 0.059 nan 8.190 nan 0.000 0.451 131 K N -0.238 120.238 120.400 0.127 0.000 2.062 131 K HA -0.104 4.212 4.320 -0.006 0.000 0.205 131 K C 1.861 178.583 176.600 0.204 0.000 1.051 131 K CA 1.424 57.775 56.287 0.106 0.000 0.941 131 K CB -0.518 32.003 32.500 0.035 0.000 0.719 131 K HN 0.323 nan 8.250 nan 0.000 0.440 132 F N 0.016 120.025 119.950 0.097 0.000 1.988 132 F HA -0.203 4.321 4.527 -0.006 0.000 0.296 132 F C 1.655 177.490 175.800 0.059 0.000 1.178 132 F CA 1.918 59.974 58.000 0.092 0.000 1.174 132 F CB -0.543 38.390 39.000 -0.112 0.000 0.963 132 F HN 0.004 nan 8.300 nan 0.000 0.489 133 F N 0.631 120.840 119.950 0.432 0.000 2.269 133 F HA -0.032 4.492 4.527 -0.006 0.000 0.301 133 F C 2.555 178.495 175.800 0.234 0.000 1.082 133 F CA 1.185 59.358 58.000 0.289 0.000 1.360 133 F CB -1.345 37.877 39.000 0.370 0.000 1.041 133 F HN 0.142 nan 8.300 nan 0.000 0.512 134 G N -0.343 108.675 108.800 0.364 0.000 2.394 134 G HA2 -0.082 3.874 3.960 -0.006 0.000 0.215 134 G HA3 -0.082 3.874 3.960 -0.006 0.000 0.215 134 G C 2.033 177.028 174.900 0.158 0.000 1.165 134 G CA 0.713 45.964 45.100 0.252 0.000 0.784 134 G HN 0.473 nan 8.290 nan 0.000 0.535 135 G N 0.990 109.879 108.800 0.149 0.000 2.404 135 G HA2 -0.108 3.848 3.960 -0.006 0.000 0.215 135 G HA3 -0.108 3.848 3.960 -0.006 0.000 0.215 135 G C 1.702 176.588 174.900 -0.023 0.000 1.174 135 G CA 0.745 45.946 45.100 0.168 0.000 0.780 135 G HN 0.295 nan 8.290 nan 0.000 0.537 136 L N 1.599 122.665 121.223 -0.263 0.000 2.151 136 L HA -0.079 4.257 4.340 -0.006 0.000 0.215 136 L C 2.919 179.690 176.870 -0.164 0.000 1.084 136 L CA 1.911 56.507 54.840 -0.406 0.000 0.764 136 L CB -0.747 41.055 42.059 -0.428 0.000 0.891 136 L HN 0.275 nan 8.230 nan 0.000 0.435 137 G N -2.112 106.676 108.800 -0.020 0.000 2.404 137 G HA2 -0.200 3.756 3.960 -0.006 0.000 0.213 137 G HA3 -0.200 3.756 3.960 -0.006 0.000 0.213 137 G C 1.592 176.523 174.900 0.053 0.000 1.189 137 G CA 1.045 46.173 45.100 0.046 0.000 0.796 137 G HN 0.456 nan 8.290 nan 0.000 0.532 138 T N -0.479 114.115 114.554 0.066 0.000 2.812 138 T HA 0.100 4.446 4.350 -0.006 0.000 0.264 138 T C 2.293 177.023 174.700 0.050 0.000 1.042 138 T CA 0.596 62.741 62.100 0.074 0.000 1.140 138 T CB -0.186 68.713 68.868 0.050 0.000 0.870 138 T HN -0.008 nan 8.240 nan 0.000 0.445 139 L N 1.509 122.747 121.223 0.025 0.000 2.044 139 L HA 0.184 4.520 4.340 -0.006 0.000 0.205 139 L C 3.061 179.918 176.870 -0.023 0.000 1.075 139 L CA 2.111 56.960 54.840 0.014 0.000 0.747 139 L CB -1.769 40.306 42.059 0.027 0.000 0.903 139 L HN 0.528 nan 8.230 nan 0.000 0.435 140 G N -0.918 107.840 108.800 -0.071 0.000 2.535 140 G HA2 -0.138 3.818 3.960 -0.006 0.000 0.218 140 G HA3 -0.138 3.818 3.960 -0.006 0.000 0.218 140 G C 1.425 176.306 174.900 -0.033 0.000 1.122 140 G CA 0.702 45.763 45.100 -0.065 0.000 0.769 140 G HN 0.517 nan 8.290 nan 0.000 0.549 141 G N -0.847 107.946 108.800 -0.013 0.000 2.777 141 G HA2 0.375 4.331 3.960 -0.006 0.000 0.211 141 G HA3 0.375 4.331 3.960 -0.006 0.000 0.211 141 G C 1.168 176.069 174.900 0.001 0.000 1.149 141 G CA 0.486 45.581 45.100 -0.008 0.000 0.785 141 G HN 1.322 nan 8.290 nan 0.000 0.536 142 G N -0.533 108.275 108.800 0.013 0.000 2.163 142 G HA2 -0.245 3.712 3.960 -0.006 0.000 0.213 142 G HA3 -0.245 3.712 3.960 -0.006 0.000 0.213 142 G C 0.434 175.357 174.900 0.039 0.000 0.991 142 G CA 0.057 45.173 45.100 0.026 0.000 0.653 142 G HN 0.355 nan 8.290 nan 0.000 0.518 143 M N 0.683 120.312 119.600 0.048 0.000 2.250 143 M HA 0.265 4.742 4.480 -0.006 0.000 0.325 143 M C 1.122 177.461 176.300 0.065 0.000 1.084 143 M CA 0.186 55.527 55.300 0.069 0.000 1.161 143 M CB 0.979 33.638 32.600 0.099 0.000 1.481 143 M HN -0.063 nan 8.290 nan 0.000 0.449 144 V N 5.560 125.518 119.914 0.073 0.000 2.157 144 V HA 0.141 4.257 4.120 -0.006 0.000 0.241 144 V C -0.042 176.102 176.094 0.084 0.000 1.349 144 V CA 0.388 62.723 62.300 0.059 0.000 1.319 144 V CB -1.621 30.236 31.823 0.056 0.000 1.421 144 V HN 0.555 nan 8.190 nan 0.000 0.501 145 L N 1.873 123.139 121.223 0.072 0.000 2.415 145 L HA 0.825 5.161 4.340 -0.006 0.000 0.256 145 L C 0.637 177.541 176.870 0.056 0.000 1.010 145 L CA -0.573 54.328 54.840 0.102 0.000 0.826 145 L CB 2.138 44.281 42.059 0.139 0.000 1.405 145 L HN 0.467 nan 8.230 nan 0.000 0.410 146 G N -0.155 108.690 108.800 0.074 0.000 2.531 146 G HA2 0.487 4.443 3.960 -0.006 0.000 0.313 146 G HA3 0.487 4.443 3.960 -0.006 0.000 0.313 146 G C 0.219 175.143 174.900 0.040 0.000 1.238 146 G CA -0.409 44.718 45.100 0.045 0.000 0.994 146 G HN 0.676 nan 8.290 nan 0.000 0.493 147 R N -0.819 119.669 120.500 -0.019 0.000 2.223 147 R HA 0.072 4.408 4.340 -0.006 0.000 0.198 147 R C 2.293 178.438 176.300 -0.258 0.000 0.984 147 R CA 0.861 56.901 56.100 -0.101 0.000 1.018 147 R CB 0.167 30.420 30.300 -0.079 0.000 0.945 147 R HN 0.627 nan 8.270 nan 0.000 0.479 148 E N 0.345 120.397 120.200 -0.247 0.000 2.038 148 E HA -0.140 4.206 4.350 -0.006 0.000 0.195 148 E C 1.972 178.440 176.600 -0.221 0.000 1.000 148 E CA 1.456 57.672 56.400 -0.308 0.000 0.803 148 E CB -0.922 28.593 29.700 -0.309 0.000 0.750 148 E HN 0.330 nan 8.360 nan 0.000 0.448 149 G N 1.983 110.727 108.800 -0.092 0.000 2.672 149 G HA2 -0.271 3.686 3.960 -0.006 0.000 0.218 149 G HA3 -0.271 3.686 3.960 -0.006 0.000 0.218 149 G C -0.754 174.071 174.900 -0.125 0.000 1.238 149 G CA 1.479 46.553 45.100 -0.043 0.000 0.791 149 G HN 0.304 nan 8.290 nan 0.000 0.606 150 P HA -0.157 nan 4.420 nan 0.000 0.214 150 P C 2.441 179.526 177.300 -0.358 0.000 1.169 150 P CA 2.934 65.854 63.100 -0.300 0.000 0.908 150 P CB -0.555 30.830 31.700 -0.525 0.000 0.791 151 T N -3.341 110.949 114.554 -0.441 0.000 2.867 151 T HA -0.091 4.255 4.350 -0.006 0.000 0.268 151 T C 1.822 176.386 174.700 -0.228 0.000 1.057 151 T CA 1.214 63.098 62.100 -0.359 0.000 1.136 151 T CB -1.453 67.193 68.868 -0.370 0.000 0.874 151 T HN -0.137 nan 8.240 nan 0.000 0.466 152 V N 1.625 121.415 119.914 -0.207 0.000 2.270 152 V HA -0.161 3.955 4.120 -0.006 0.000 0.245 152 V C 2.971 179.004 176.094 -0.102 0.000 1.043 152 V CA 2.073 64.291 62.300 -0.137 0.000 1.014 152 V CB -0.851 30.896 31.823 -0.125 0.000 0.645 152 V HN 0.524 nan 8.190 nan 0.000 0.447 153 Q N -0.339 119.397 119.800 -0.107 0.000 2.050 153 Q HA -0.201 4.135 4.340 -0.006 0.000 0.202 153 Q C 2.280 178.238 176.000 -0.071 0.000 0.980 153 Q CA 2.102 57.856 55.803 -0.082 0.000 0.840 153 Q CB -0.197 28.493 28.738 -0.079 0.000 0.898 153 Q HN 0.623 nan 8.270 nan 0.000 0.424 154 I N 0.240 120.757 120.570 -0.088 0.000 2.151 154 I HA -0.271 3.895 4.170 -0.006 0.000 0.243 154 I C 2.309 178.393 176.117 -0.056 0.000 1.080 154 I CA 1.293 62.558 61.300 -0.059 0.000 1.339 154 I CB -0.664 37.294 38.000 -0.071 0.000 1.039 154 I HN 0.402 nan 8.210 nan 0.000 0.409 155 G N 0.269 109.021 108.800 -0.080 0.000 2.418 155 G HA2 -0.192 3.764 3.960 -0.006 0.000 0.217 155 G HA3 -0.192 3.764 3.960 -0.006 0.000 0.217 155 G C 1.695 176.561 174.900 -0.056 0.000 1.158 155 G CA 0.841 45.899 45.100 -0.071 0.000 0.771 155 G HN 0.509 nan 8.290 nan 0.000 0.545 156 G N 1.117 109.887 108.800 -0.049 0.000 2.446 156 G HA2 -0.259 3.697 3.960 -0.006 0.000 0.217 156 G HA3 -0.259 3.697 3.960 -0.006 0.000 0.217 156 G C 1.730 176.614 174.900 -0.028 0.000 1.168 156 G CA 1.212 46.291 45.100 -0.036 0.000 0.771 156 G HN 0.450 nan 8.290 nan 0.000 0.551 157 N N 0.636 119.326 118.700 -0.016 0.000 2.149 157 N HA -0.077 4.659 4.740 -0.006 0.000 0.188 157 N C 2.076 177.565 175.510 -0.036 0.000 1.019 157 N CA 0.743 53.805 53.050 0.020 0.000 0.857 157 N CB -0.164 38.359 38.487 0.060 0.000 0.997 157 N HN 0.216 nan 8.380 nan 0.000 0.426 158 I N 0.166 120.701 120.570 -0.057 0.000 2.286 158 I HA -0.118 4.048 4.170 -0.006 0.000 0.248 158 I C 2.227 178.267 176.117 -0.130 0.000 1.115 158 I CA 1.211 62.449 61.300 -0.103 0.000 1.392 158 I CB -1.574 36.380 38.000 -0.077 0.000 1.065 158 I HN 0.168 nan 8.210 nan 0.000 0.418 159 G N 0.348 109.092 108.800 -0.094 0.000 2.448 159 G HA2 -0.248 3.708 3.960 -0.006 0.000 0.218 159 G HA3 -0.248 3.708 3.960 -0.006 0.000 0.218 159 G C 1.878 176.724 174.900 -0.091 0.000 1.135 159 G CA 0.385 45.434 45.100 -0.085 0.000 0.784 159 G HN 0.215 nan 8.290 nan 0.000 0.543 160 R N 0.156 120.598 120.500 -0.096 0.000 2.080 160 R HA 0.232 4.568 4.340 -0.006 0.000 0.222 160 R C 2.378 178.510 176.300 -0.280 0.000 1.107 160 R CA 1.134 57.185 56.100 -0.083 0.000 0.980 160 R CB -0.746 29.581 30.300 0.046 0.000 0.879 160 R HN 0.346 nan 8.270 nan 0.000 0.439 161 M N 0.321 119.563 119.600 -0.598 0.000 2.080 161 M HA -0.162 4.314 4.480 -0.006 0.000 0.260 161 M C 1.743 177.734 176.300 -0.515 0.000 1.068 161 M CA 2.379 57.000 55.300 -1.131 0.000 1.109 161 M CB -0.072 31.880 32.600 -1.080 0.000 1.342 161 M HN 0.119 nan 8.290 nan 0.000 0.405 162 V N -1.204 118.572 119.914 -0.231 0.000 2.809 162 V HA -0.154 3.962 4.120 -0.006 0.000 0.256 162 V C 2.101 178.250 176.094 0.092 0.000 1.080 162 V CA 1.280 63.595 62.300 0.024 0.000 1.102 162 V CB -1.153 30.648 31.823 -0.036 0.000 0.705 162 V HN 0.578 nan 8.190 nan 0.000 0.475 163 L N 1.010 122.225 121.223 -0.015 0.000 2.044 163 L HA -0.006 4.330 4.340 -0.006 0.000 0.205 163 L C 2.194 179.101 176.870 0.062 0.000 1.075 163 L CA 2.297 57.153 54.840 0.027 0.000 0.747 163 L CB -0.608 41.452 42.059 0.001 0.000 0.903 163 L HN 0.244 nan 8.230 nan 0.000 0.435 164 D N -0.057 120.359 120.400 0.027 0.000 2.075 164 D HA -0.173 4.464 4.640 -0.006 0.000 0.196 164 D C 2.322 178.652 176.300 0.050 0.000 0.985 164 D CA 1.936 55.987 54.000 0.085 0.000 0.834 164 D CB -0.323 40.608 40.800 0.217 0.000 0.987 164 D HN 0.367 nan 8.370 nan 0.000 0.452 165 I N -0.093 120.459 120.570 -0.029 0.000 2.185 165 I HA -0.296 3.870 4.170 -0.006 0.000 0.246 165 I C 1.620 177.613 176.117 -0.207 0.000 1.088 165 I CA 1.225 62.448 61.300 -0.129 0.000 1.347 165 I CB -0.224 37.640 38.000 -0.226 0.000 1.041 165 I HN -0.061 nan 8.210 nan 0.000 0.415 166 F N 0.457 120.387 119.950 -0.033 0.000 2.732 166 F HA 0.199 4.722 4.527 -0.006 0.000 0.303 166 F C 0.582 176.378 175.800 -0.006 0.000 1.110 166 F CA -0.287 57.705 58.000 -0.014 0.000 1.355 166 F CB 0.039 39.034 39.000 -0.007 0.000 1.081 166 F HN -0.127 nan 8.300 nan 0.000 0.565 167 R N 1.647 122.217 120.500 0.116 0.000 2.884 167 R HA -0.187 4.149 4.340 -0.006 0.000 0.251 167 R C -0.886 175.462 176.300 0.080 0.000 0.870 167 R CA 0.298 56.444 56.100 0.078 0.000 0.647 167 R CB -2.114 28.212 30.300 0.043 0.000 1.415 167 R HN 0.357 nan 8.270 nan 0.000 0.513 168 L N 1.117 122.387 121.223 0.078 0.000 2.312 168 L HA 0.364 4.700 4.340 -0.006 0.000 0.281 168 L C 0.922 177.807 176.870 0.026 0.000 1.070 168 L CA -0.084 54.786 54.840 0.051 0.000 0.805 168 L CB 1.187 43.270 42.059 0.040 0.000 1.174 168 L HN 0.125 nan 8.230 nan 0.000 0.434 169 K N 1.761 122.171 120.400 0.016 0.000 2.207 169 K HA 0.794 5.110 4.320 -0.006 0.000 0.255 169 K C -0.465 176.131 176.600 -0.006 0.000 0.941 169 K CA -0.255 56.035 56.287 0.006 0.000 0.825 169 K CB 1.759 34.265 32.500 0.009 0.000 1.119 169 K HN 0.752 nan 8.250 nan 0.000 0.430 170 G N 2.487 111.276 108.800 -0.018 0.000 2.375 170 G HA2 -0.125 3.831 3.960 -0.006 0.000 0.663 170 G HA3 -0.125 3.831 3.960 -0.006 0.000 0.663 170 G C -0.433 174.428 174.900 -0.064 0.000 1.391 170 G CA -0.718 44.366 45.100 -0.026 0.000 0.949 170 G HN 0.644 nan 8.290 nan 0.000 0.646 171 D N -0.494 119.868 120.400 -0.064 0.000 2.183 171 D HA -0.005 4.631 4.640 -0.006 0.000 0.203 171 D C 2.035 178.271 176.300 -0.107 0.000 0.969 171 D CA 1.386 55.309 54.000 -0.127 0.000 0.842 171 D CB 0.192 40.974 40.800 -0.030 0.000 0.957 171 D HN 0.578 nan 8.370 nan 0.000 0.484 172 E N 0.103 120.286 120.200 -0.028 0.000 2.017 172 E HA -0.180 4.166 4.350 -0.006 0.000 0.193 172 E C 1.976 178.566 176.600 -0.017 0.000 0.997 172 E CA 1.076 57.477 56.400 0.000 0.000 0.804 172 E CB -0.045 29.659 29.700 0.007 0.000 0.757 172 E HN 0.181 nan 8.360 nan 0.000 0.448 173 A N 1.246 124.047 122.820 -0.031 0.000 1.978 173 A HA -0.218 4.098 4.320 -0.006 0.000 0.220 173 A C 2.153 179.707 177.584 -0.049 0.000 1.170 173 A CA 1.666 53.685 52.037 -0.030 0.000 0.636 173 A CB -0.535 18.453 19.000 -0.021 0.000 0.810 173 A HN 0.205 nan 8.150 nan 0.000 0.448 174 R N -1.536 118.899 120.500 -0.108 0.000 2.090 174 R HA -0.095 4.241 4.340 -0.006 0.000 0.228 174 R C 1.948 178.178 176.300 -0.116 0.000 1.110 174 R CA 1.620 57.632 56.100 -0.146 0.000 0.973 174 R CB -0.286 29.868 30.300 -0.244 0.000 0.869 174 R HN 0.772 nan 8.270 nan 0.000 0.440 175 H N -1.474 117.580 119.070 -0.027 0.000 2.384 175 H HA 0.055 4.607 4.556 -0.006 0.000 0.300 175 H C 1.916 177.215 175.328 -0.047 0.000 1.057 175 H CA 1.461 57.483 56.048 -0.043 0.000 1.370 175 H CB 0.263 29.988 29.762 -0.061 0.000 1.417 175 H HN 0.137 nan 8.280 nan 0.000 0.527 176 T N 1.159 115.759 114.554 0.077 0.000 2.643 176 T HA -0.125 4.221 4.350 -0.006 0.000 0.264 176 T C 2.055 176.759 174.700 0.006 0.000 1.045 176 T CA 1.080 63.195 62.100 0.026 0.000 1.155 176 T CB -0.307 68.568 68.868 0.012 0.000 0.863 176 T HN 0.189 nan 8.240 nan 0.000 0.420 177 L N 0.527 121.746 121.223 -0.007 0.000 2.275 177 L HA 0.009 4.345 4.340 -0.006 0.000 0.215 177 L C 2.383 179.238 176.870 -0.024 0.000 1.119 177 L CA 0.509 55.334 54.840 -0.026 0.000 0.790 177 L CB -0.489 41.546 42.059 -0.040 0.000 0.919 177 L HN 0.222 nan 8.230 nan 0.000 0.443 178 L N -0.015 121.205 121.223 -0.005 0.000 2.109 178 L HA -0.025 4.311 4.340 -0.006 0.000 0.207 178 L C 2.561 179.425 176.870 -0.011 0.000 1.086 178 L CA 1.712 56.551 54.840 -0.002 0.000 0.760 178 L CB -0.439 41.637 42.059 0.027 0.000 0.910 178 L HN 0.091 nan 8.230 nan 0.000 0.437 179 A N -0.896 121.919 122.820 -0.007 0.000 1.872 179 A HA -0.170 4.146 4.320 -0.006 0.000 0.214 179 A C 2.405 179.976 177.584 -0.022 0.000 1.187 179 A CA 2.010 54.032 52.037 -0.024 0.000 0.614 179 A CB -1.396 17.586 19.000 -0.030 0.000 0.826 179 A HN 0.577 nan 8.150 nan 0.000 0.442 180 T N -2.056 112.486 114.554 -0.020 0.000 2.759 180 T HA -0.030 4.316 4.350 -0.006 0.000 0.269 180 T C 1.868 176.547 174.700 -0.035 0.000 1.042 180 T CA 1.973 64.059 62.100 -0.023 0.000 1.140 180 T CB -0.882 67.972 68.868 -0.023 0.000 0.864 180 T HN 0.419 nan 8.240 nan 0.000 0.455 181 G N 0.952 109.728 108.800 -0.040 0.000 2.418 181 G HA2 0.090 4.046 3.960 -0.006 0.000 0.217 181 G HA3 0.090 4.046 3.960 -0.006 0.000 0.217 181 G C 1.950 176.822 174.900 -0.045 0.000 1.158 181 G CA 0.812 45.882 45.100 -0.049 0.000 0.771 181 G HN 0.781 nan 8.290 nan 0.000 0.545 182 A N 0.882 123.684 122.820 -0.030 0.000 1.969 182 A HA 0.374 4.691 4.320 -0.006 0.000 0.218 182 A C 2.729 180.325 177.584 0.018 0.000 1.169 182 A CA 2.055 54.086 52.037 -0.011 0.000 0.635 182 A CB -0.535 18.466 19.000 0.002 0.000 0.810 182 A HN 0.653 nan 8.150 nan 0.000 0.445 183 A N -0.109 122.719 122.820 0.015 0.000 1.855 183 A HA 0.297 4.613 4.320 -0.006 0.000 0.213 183 A C 2.480 180.044 177.584 -0.033 0.000 1.195 183 A CA 1.646 53.699 52.037 0.025 0.000 0.610 183 A CB -1.126 17.880 19.000 0.009 0.000 0.837 183 A HN 1.064 nan 8.150 nan 0.000 0.444 184 A N -0.410 122.379 122.820 -0.053 0.000 2.076 184 A HA 0.084 4.401 4.320 -0.006 0.000 0.220 184 A C 2.240 179.771 177.584 -0.088 0.000 1.160 184 A CA 1.930 53.923 52.037 -0.072 0.000 0.653 184 A CB -1.180 17.781 19.000 -0.065 0.000 0.801 184 A HN 0.700 nan 8.150 nan 0.000 0.455 185 G N -0.419 108.325 108.800 -0.093 0.000 2.394 185 G HA2 -0.061 3.895 3.960 -0.006 0.000 0.214 185 G HA3 -0.061 3.895 3.960 -0.006 0.000 0.214 185 G C 1.473 176.258 174.900 -0.191 0.000 1.176 185 G CA 1.019 46.038 45.100 -0.135 0.000 0.786 185 G HN 0.459 nan 8.290 nan 0.000 0.533 186 L N 1.096 122.215 121.223 -0.174 0.000 2.072 186 L HA 0.238 4.574 4.340 -0.006 0.000 0.205 186 L C 3.145 179.925 176.870 -0.151 0.000 1.079 186 L CA 1.895 56.600 54.840 -0.225 0.000 0.752 186 L CB -0.509 41.397 42.059 -0.255 0.000 0.906 186 L HN 0.236 nan 8.230 nan 0.000 0.436 187 A N -0.144 122.609 122.820 -0.112 0.000 1.859 187 A HA -0.252 4.064 4.320 -0.006 0.000 0.217 187 A C 2.359 179.828 177.584 -0.192 0.000 1.198 187 A CA 2.156 54.125 52.037 -0.113 0.000 0.629 187 A CB -1.374 17.559 19.000 -0.111 0.000 0.830 187 A HN 0.543 nan 8.150 nan 0.000 0.446 188 A N -0.994 121.711 122.820 -0.191 0.000 2.216 188 A HA 0.344 4.660 4.320 -0.006 0.000 0.214 188 A C 2.153 179.550 177.584 -0.311 0.000 1.160 188 A CA 1.555 53.465 52.037 -0.212 0.000 0.725 188 A CB -0.641 18.321 19.000 -0.063 0.000 0.784 188 A HN 1.038 nan 8.150 nan 0.000 0.472 189 A N -1.882 120.703 122.820 -0.391 0.000 2.081 189 A HA 0.377 4.693 4.320 -0.006 0.000 0.214 189 A C 1.347 178.485 177.584 -0.743 0.000 1.158 189 A CA 0.806 52.493 52.037 -0.583 0.000 0.724 189 A CB -0.219 18.293 19.000 -0.814 0.000 0.826 189 A HN 0.504 nan 8.150 nan 0.000 0.463 190 F N -2.084 117.703 119.950 -0.272 0.000 2.798 190 F HA 0.248 4.771 4.527 -0.007 0.000 0.328 190 F C 0.767 176.339 175.800 -0.380 0.000 1.098 190 F CA -0.117 57.726 58.000 -0.262 0.000 1.172 190 F CB 0.540 39.445 39.000 -0.159 0.000 1.072 190 F HN 0.177 nan 8.300 nan 0.000 0.555 191 N N 1.915 120.332 118.700 -0.472 0.000 2.740 191 N HA -0.218 4.518 4.740 -0.006 0.000 0.248 191 N C -0.585 174.825 175.510 -0.167 0.000 1.062 191 N CA 0.726 53.502 53.050 -0.457 0.000 0.704 191 N CB -0.934 37.314 38.487 -0.398 0.000 0.968 191 N HN 0.334 nan 8.380 nan 0.000 0.547 192 A N 0.054 122.811 122.820 -0.105 0.000 2.802 192 A HA 0.580 4.897 4.320 -0.006 0.000 0.344 192 A C -1.392 176.146 177.584 -0.078 0.000 1.215 192 A CA -1.103 50.899 52.037 -0.058 0.000 0.821 192 A CB 1.038 20.032 19.000 -0.009 0.000 1.099 192 A HN 0.137 nan 8.150 nan 0.000 0.479 193 P HA -0.208 nan 4.420 nan 0.000 0.213 193 P C 1.559 178.759 177.300 -0.167 0.000 1.170 193 P CA 1.181 64.191 63.100 -0.151 0.000 0.902 193 P CB 0.084 31.687 31.700 -0.161 0.000 0.789 194 L N -1.343 119.802 121.223 -0.130 0.000 2.093 194 L HA -0.134 4.202 4.340 -0.006 0.000 0.208 194 L C 2.529 179.373 176.870 -0.043 0.000 1.085 194 L CA 1.561 56.343 54.840 -0.097 0.000 0.755 194 L CB -1.406 40.622 42.059 -0.051 0.000 0.904 194 L HN -0.060 nan 8.230 nan 0.000 0.435 195 A N 0.771 123.572 122.820 -0.032 0.000 1.933 195 A HA -0.115 4.201 4.320 -0.006 0.000 0.218 195 A C 2.435 180.046 177.584 0.046 0.000 1.175 195 A CA 1.746 53.786 52.037 0.005 0.000 0.628 195 A CB -1.233 17.749 19.000 -0.030 0.000 0.814 195 A HN 0.435 nan 8.150 nan 0.000 0.444 196 G N 0.292 109.095 108.800 0.005 0.000 2.480 196 G HA2 -0.219 3.737 3.960 -0.006 0.000 0.216 196 G HA3 -0.219 3.737 3.960 -0.006 0.000 0.216 196 G C 1.517 176.462 174.900 0.075 0.000 1.200 196 G CA 1.247 46.366 45.100 0.032 0.000 0.782 196 G HN 0.488 nan 8.290 nan 0.000 0.554 197 I N 0.348 120.911 120.570 -0.011 0.000 2.179 197 I HA -0.120 4.046 4.170 -0.006 0.000 0.242 197 I C 2.621 178.770 176.117 0.054 0.000 1.088 197 I CA 0.472 61.771 61.300 -0.002 0.000 1.357 197 I CB -0.248 37.706 38.000 -0.077 0.000 1.051 197 I HN 0.051 nan 8.210 nan 0.000 0.409 198 L N -0.034 121.231 121.223 0.069 0.000 2.083 198 L HA -0.232 4.104 4.340 -0.006 0.000 0.209 198 L C 2.561 179.500 176.870 0.115 0.000 1.083 198 L CA 1.986 56.876 54.840 0.084 0.000 0.752 198 L CB -1.178 40.929 42.059 0.080 0.000 0.899 198 L HN 0.279 nan 8.230 nan 0.000 0.433 199 F N 0.484 120.439 119.950 0.008 0.000 2.126 199 F HA -0.247 4.276 4.527 -0.006 0.000 0.299 199 F C 2.304 178.110 175.800 0.010 0.000 1.096 199 F CA 1.260 59.274 58.000 0.023 0.000 1.255 199 F CB -0.232 38.771 39.000 0.005 0.000 0.997 199 F HN -0.032 nan 8.300 nan 0.000 0.479 200 I N 1.133 121.595 120.570 -0.180 0.000 2.163 200 I HA -0.213 3.953 4.170 -0.006 0.000 0.240 200 I C 2.117 178.115 176.117 -0.198 0.000 1.081 200 I CA 1.555 62.693 61.300 -0.270 0.000 1.353 200 I CB -0.767 37.168 38.000 -0.107 0.000 1.054 200 I HN 0.329 nan 8.210 nan 0.000 0.407 201 I N -2.336 118.181 120.570 -0.088 0.000 3.688 201 I HA 0.103 4.269 4.170 -0.006 0.000 0.307 201 I C 1.351 177.441 176.117 -0.046 0.000 1.287 201 I CA 0.833 62.101 61.300 -0.053 0.000 1.192 201 I CB -0.309 37.690 38.000 -0.001 0.000 1.043 201 I HN 0.293 nan 8.210 nan 0.000 0.442 202 E N 0.566 120.717 120.200 -0.082 0.000 2.661 202 E HA -0.078 4.268 4.350 -0.006 0.000 0.202 202 E C 1.451 178.002 176.600 -0.081 0.000 0.911 202 E CA 0.320 56.693 56.400 -0.046 0.000 1.581 202 E CB 0.371 30.078 29.700 0.011 0.000 1.667 202 E HN 0.510 nan 8.360 nan 0.000 0.911 203 E N 0.176 120.265 120.200 -0.184 0.000 2.110 203 E HA 0.049 4.395 4.350 -0.006 0.000 0.193 203 E C 1.904 178.346 176.600 -0.264 0.000 0.950 203 E CA 0.933 57.210 56.400 -0.204 0.000 0.840 203 E CB 0.078 29.618 29.700 -0.266 0.000 0.809 203 E HN 0.041 nan 8.360 nan 0.000 0.465 204 M N 1.284 120.646 119.600 -0.397 0.000 2.111 204 M HA 0.042 4.518 4.480 -0.006 0.000 0.257 204 M C 0.751 176.914 176.300 -0.228 0.000 1.096 204 M CA 1.198 56.307 55.300 -0.319 0.000 1.117 204 M CB -1.585 30.800 32.600 -0.359 0.000 1.265 204 M HN 0.142 nan 8.290 nan 0.000 0.427 205 R N 2.198 122.576 120.500 -0.204 0.000 3.701 205 R HA -0.130 4.206 4.340 -0.006 0.000 0.137 205 R C -2.467 173.732 176.300 -0.168 0.000 0.381 205 R CA -0.145 55.855 56.100 -0.167 0.000 0.700 205 R CB -2.078 28.151 30.300 -0.119 0.000 1.380 205 R HN 0.174 nan 8.270 nan 0.000 0.416 206 P HA -0.220 nan 4.420 nan 0.000 0.244 206 P C -0.061 177.145 177.300 -0.157 0.000 1.080 206 P CA 0.472 63.459 63.100 -0.188 0.000 0.794 206 P CB -0.003 31.586 31.700 -0.185 0.000 0.689 207 C N 2.854 121.990 119.300 -0.274 0.000 2.578 207 C HA 0.154 4.610 4.460 -0.006 0.000 0.285 207 C C 1.266 176.249 174.990 -0.012 0.000 1.297 207 C CA 0.221 59.092 59.018 -0.245 0.000 1.690 207 C CB -1.520 25.980 27.740 -0.401 0.000 1.773 207 C HN 0.531 nan 8.230 nan 0.000 0.594 208 F N -0.197 119.748 119.950 -0.008 0.000 2.912 208 F HA 0.319 4.842 4.527 -0.006 0.000 0.357 208 F C 0.993 176.804 175.800 0.017 0.000 1.003 208 F CA -0.296 57.708 58.000 0.006 0.000 1.132 208 F CB -0.104 38.899 39.000 0.005 0.000 1.055 208 F HN -0.016 nan 8.300 nan 0.000 0.572 209 R N -0.181 120.424 120.500 0.175 0.000 2.575 209 R HA 0.282 4.619 4.340 -0.006 0.000 0.293 209 R C -1.274 175.083 176.300 0.096 0.000 0.983 209 R CA -0.864 55.312 56.100 0.125 0.000 0.887 209 R CB 2.559 32.909 30.300 0.084 0.000 1.184 209 R HN -0.044 nan 8.270 nan 0.000 0.445 210 Y N 2.516 122.827 120.300 0.018 0.000 2.497 210 Y HA 0.083 4.630 4.550 -0.006 0.000 0.334 210 Y C 0.164 176.058 175.900 -0.010 0.000 1.199 210 Y CA 0.593 58.695 58.100 0.004 0.000 1.425 210 Y CB 0.747 39.215 38.460 0.012 0.000 1.291 210 Y HN 0.697 nan 8.280 nan 0.000 0.562 211 T N 2.250 116.256 114.554 -0.913 0.000 2.724 211 T HA 0.463 4.810 4.350 -0.006 0.000 0.274 211 T C -0.465 173.761 174.700 -0.791 0.000 0.984 211 T CA -0.844 60.865 62.100 -0.651 0.000 1.024 211 T CB 1.260 69.887 68.868 -0.402 0.000 1.320 211 T HN 0.493 nan 8.240 nan 0.000 0.555 212 L N -0.083 120.943 121.223 -0.329 0.000 3.016 212 L HA 0.490 4.826 4.340 -0.006 0.000 0.267 212 L C 0.176 176.997 176.870 -0.081 0.000 1.182 212 L CA -0.223 54.513 54.840 -0.174 0.000 0.997 212 L CB -0.420 41.616 42.059 -0.039 0.000 1.354 212 L HN 0.619 nan 8.230 nan 0.000 0.569 213 I N 0.260 120.775 120.570 -0.093 0.000 3.247 213 I HA -0.175 3.991 4.170 -0.006 0.000 0.309 213 I C 0.962 177.058 176.117 -0.035 0.000 1.246 213 I CA 0.594 61.861 61.300 -0.055 0.000 1.384 213 I CB -0.335 37.616 38.000 -0.082 0.000 1.401 213 I HN 0.169 nan 8.210 nan 0.000 0.520 214 S N 6.598 122.295 115.700 -0.006 0.000 2.439 214 S HA 0.336 4.802 4.470 -0.006 0.000 0.282 214 S C 1.189 175.803 174.600 0.023 0.000 1.170 214 S CA -0.706 57.499 58.200 0.009 0.000 1.054 214 S CB 0.611 63.818 63.200 0.012 0.000 0.956 214 S HN 0.567 nan 8.310 nan 0.000 0.490 215 I N 4.888 125.474 120.570 0.028 0.000 2.226 215 I HA -0.160 4.006 4.170 -0.006 0.000 0.245 215 I C 2.610 178.776 176.117 0.083 0.000 1.100 215 I CA 1.197 62.532 61.300 0.059 0.000 1.374 215 I CB -0.167 37.861 38.000 0.047 0.000 1.057 215 I HN 0.728 nan 8.210 nan 0.000 0.413 216 K N 1.009 121.418 120.400 0.015 0.000 2.103 216 K HA -0.224 4.092 4.320 -0.006 0.000 0.207 216 K C 2.074 178.716 176.600 0.070 0.000 1.048 216 K CA 1.606 57.888 56.287 -0.009 0.000 0.930 216 K CB -0.062 32.411 32.500 -0.044 0.000 0.716 216 K HN 0.340 nan 8.250 nan 0.000 0.444 217 A N 0.423 123.277 122.820 0.055 0.000 1.929 217 A HA -0.054 4.262 4.320 -0.006 0.000 0.216 217 A C 2.169 179.792 177.584 0.064 0.000 1.176 217 A CA 1.161 53.226 52.037 0.048 0.000 0.628 217 A CB -0.380 18.633 19.000 0.022 0.000 0.816 217 A HN 0.149 nan 8.150 nan 0.000 0.444 218 V N -1.140 118.823 119.914 0.081 0.000 2.332 218 V HA -0.264 3.852 4.120 -0.006 0.000 0.248 218 V C 2.234 178.384 176.094 0.092 0.000 1.055 218 V CA 2.109 64.451 62.300 0.069 0.000 1.038 218 V CB -1.034 30.830 31.823 0.068 0.000 0.651 218 V HN 0.534 nan 8.190 nan 0.000 0.450 219 F N 0.338 120.276 119.950 -0.019 0.000 2.043 219 F HA -0.241 4.282 4.527 -0.006 0.000 0.297 219 F C 2.229 178.015 175.800 -0.024 0.000 1.121 219 F CA 2.142 60.132 58.000 -0.017 0.000 1.199 219 F CB -0.416 38.576 39.000 -0.014 0.000 0.968 219 F HN 0.038 nan 8.300 nan 0.000 0.478 220 I N -0.541 120.134 120.570 0.175 0.000 2.151 220 I HA -0.316 3.850 4.170 -0.006 0.000 0.243 220 I C 2.739 178.853 176.117 -0.006 0.000 1.080 220 I CA 1.519 62.859 61.300 0.068 0.000 1.339 220 I CB -1.467 36.554 38.000 0.034 0.000 1.039 220 I HN 0.267 nan 8.210 nan 0.000 0.409 221 G N 0.770 109.558 108.800 -0.019 0.000 2.446 221 G HA2 -0.213 3.743 3.960 -0.006 0.000 0.217 221 G HA3 -0.213 3.743 3.960 -0.006 0.000 0.217 221 G C 1.726 176.590 174.900 -0.061 0.000 1.168 221 G CA 1.091 46.161 45.100 -0.049 0.000 0.771 221 G HN 0.257 nan 8.290 nan 0.000 0.551 222 V N 1.131 120.997 119.914 -0.079 0.000 2.332 222 V HA -0.190 3.926 4.120 -0.006 0.000 0.248 222 V C 2.824 178.853 176.094 -0.108 0.000 1.055 222 V CA 1.765 63.995 62.300 -0.117 0.000 1.038 222 V CB -0.420 31.284 31.823 -0.198 0.000 0.651 222 V HN 0.412 nan 8.190 nan 0.000 0.450 223 I N -0.837 119.673 120.570 -0.100 0.000 2.127 223 I HA -0.297 3.869 4.170 -0.006 0.000 0.241 223 I C 2.585 178.684 176.117 -0.030 0.000 1.075 223 I CA 1.563 62.828 61.300 -0.059 0.000 1.334 223 I CB -0.446 37.546 38.000 -0.013 0.000 1.040 223 I HN 0.236 nan 8.210 nan 0.000 0.405 224 M N 0.437 120.018 119.600 -0.032 0.000 2.108 224 M HA -0.181 4.295 4.480 -0.006 0.000 0.261 224 M C 2.664 178.961 176.300 -0.006 0.000 1.066 224 M CA 2.252 57.536 55.300 -0.026 0.000 1.107 224 M CB -1.730 30.839 32.600 -0.052 0.000 1.356 224 M HN 0.454 nan 8.290 nan 0.000 0.406 225 S N -1.080 114.610 115.700 -0.016 0.000 2.406 225 S HA -0.075 4.391 4.470 -0.006 0.000 0.228 225 S C 1.902 176.529 174.600 0.046 0.000 1.020 225 S CA 1.537 59.740 58.200 0.005 0.000 0.965 225 S CB -0.707 62.477 63.200 -0.027 0.000 0.798 225 S HN 0.454 nan 8.310 nan 0.000 0.488 226 T N 2.696 117.261 114.554 0.019 0.000 2.777 226 T HA 0.171 4.517 4.350 -0.006 0.000 0.266 226 T C 1.709 176.481 174.700 0.119 0.000 1.040 226 T CA 1.370 63.498 62.100 0.047 0.000 1.141 226 T CB -0.429 68.429 68.868 -0.017 0.000 0.868 226 T HN 0.387 nan 8.240 nan 0.000 0.444 227 I N 0.986 121.599 120.570 0.072 0.000 2.163 227 I HA -0.197 3.969 4.170 -0.006 0.000 0.243 227 I C 2.504 178.687 176.117 0.110 0.000 1.085 227 I CA 1.032 62.375 61.300 0.072 0.000 1.347 227 I CB -0.343 37.677 38.000 0.033 0.000 1.044 227 I HN 0.194 nan 8.210 nan 0.000 0.408 228 M N -0.407 119.267 119.600 0.123 0.000 2.149 228 M HA -0.270 4.206 4.480 -0.006 0.000 0.261 228 M C 2.444 178.903 176.300 0.265 0.000 1.064 228 M CA 1.937 57.347 55.300 0.184 0.000 1.102 228 M CB -1.472 31.205 32.600 0.127 0.000 1.369 228 M HN 0.303 nan 8.290 nan 0.000 0.408 229 Y N 0.893 121.258 120.300 0.107 0.000 2.200 229 Y HA -0.148 4.398 4.550 -0.007 0.000 0.290 229 Y C 2.423 178.413 175.900 0.149 0.000 1.137 229 Y CA 1.717 59.886 58.100 0.113 0.000 1.163 229 Y CB -0.135 38.352 38.460 0.046 0.000 0.988 229 Y HN 0.119 nan 8.280 nan 0.000 0.518 230 R N -0.295 120.328 120.500 0.204 0.000 2.189 230 R HA -0.071 4.265 4.340 -0.006 0.000 0.218 230 R C 1.915 178.222 176.300 0.013 0.000 1.074 230 R CA 0.905 57.071 56.100 0.109 0.000 0.991 230 R CB -0.098 30.289 30.300 0.145 0.000 0.883 230 R HN 0.366 nan 8.270 nan 0.000 0.457 231 I N -0.195 120.373 120.570 -0.004 0.000 2.361 231 I HA -0.220 3.946 4.170 -0.006 0.000 0.251 231 I C 1.375 177.268 176.117 -0.373 0.000 1.133 231 I CA 1.736 62.906 61.300 -0.216 0.000 1.413 231 I CB -0.455 37.405 38.000 -0.233 0.000 1.073 231 I HN 0.085 nan 8.210 nan 0.000 0.424 232 F N 0.110 120.018 119.950 -0.070 0.000 2.694 232 F HA 0.177 4.700 4.527 -0.007 0.000 0.292 232 F C 1.052 176.812 175.800 -0.067 0.000 1.121 232 F CA 0.094 58.065 58.000 -0.048 0.000 1.352 232 F CB 0.002 38.954 39.000 -0.080 0.000 1.107 232 F HN 0.012 nan 8.300 nan 0.000 0.597 233 N N 0.033 118.686 118.700 -0.080 0.000 2.541 233 N HA 0.020 4.756 4.740 -0.006 0.000 0.297 233 N C -0.289 175.148 175.510 -0.123 0.000 1.503 233 N CA -0.131 52.766 53.050 -0.254 0.000 0.919 233 N CB -0.328 37.697 38.487 -0.770 0.000 1.305 233 N HN 0.291 nan 8.380 nan 0.000 0.501 234 H N 0.194 119.197 119.070 -0.112 0.000 2.660 234 H HA 0.210 4.762 4.556 -0.006 0.000 0.374 234 H C 0.251 175.565 175.328 -0.023 0.000 1.291 234 H CA 0.436 56.456 56.048 -0.047 0.000 1.437 234 H CB 0.730 30.460 29.762 -0.053 0.000 1.509 234 H HN 0.143 nan 8.280 nan 0.000 0.614 235 E N -1.507 118.665 120.200 -0.046 0.000 3.547 235 E HA -0.164 4.182 4.350 -0.006 0.000 0.300 235 E C -0.924 175.623 176.600 -0.089 0.000 0.857 235 E CA 1.001 57.344 56.400 -0.095 0.000 1.039 235 E CB -1.067 28.525 29.700 -0.179 0.000 1.524 235 E HN 0.415 nan 8.360 nan 0.000 0.457 236 V N -0.166 119.711 119.914 -0.062 0.000 2.668 236 V HA 0.634 4.750 4.120 -0.006 0.000 0.304 236 V C -0.074 176.034 176.094 0.024 0.000 1.071 236 V CA -0.248 62.036 62.300 -0.027 0.000 0.894 236 V CB 1.852 33.648 31.823 -0.044 0.000 1.008 236 V HN 0.230 nan 8.190 nan 0.000 0.425 237 A N 3.565 126.398 122.820 0.022 0.000 2.304 237 A HA 0.776 5.092 4.320 -0.006 0.000 0.301 237 A C 0.814 178.400 177.584 0.004 0.000 1.132 237 A CA -0.438 51.614 52.037 0.026 0.000 0.819 237 A CB 0.774 19.778 19.000 0.008 0.000 1.094 237 A HN 0.892 nan 8.150 nan 0.000 0.492 238 L N 1.102 122.307 121.223 -0.030 0.000 2.046 238 L HA 0.017 4.353 4.340 -0.006 0.000 0.208 238 L C 0.155 176.939 176.870 -0.143 0.000 1.077 238 L CA 1.328 56.092 54.840 -0.127 0.000 0.747 238 L CB -0.180 41.696 42.059 -0.305 0.000 0.896 238 L HN 0.604 nan 8.230 nan 0.000 0.432 239 I N -0.831 119.669 120.570 -0.116 0.000 2.447 239 I HA 0.211 4.377 4.170 -0.006 0.000 0.287 239 I C -1.130 174.974 176.117 -0.022 0.000 1.023 239 I CA -0.538 60.727 61.300 -0.059 0.000 1.083 239 I CB 1.925 39.883 38.000 -0.069 0.000 1.245 239 I HN -0.161 nan 8.210 nan 0.000 0.434 240 D N 5.129 125.530 120.400 0.001 0.000 2.278 240 D HA 0.514 5.151 4.640 -0.006 0.000 0.245 240 D C 0.011 176.320 176.300 0.015 0.000 1.052 240 D CA -0.210 53.794 54.000 0.006 0.000 0.834 240 D CB 2.453 43.258 40.800 0.008 0.000 1.194 240 D HN 0.221 nan 8.370 nan 0.000 0.481 241 V N 1.801 121.723 119.914 0.013 0.000 3.380 241 V HA 0.402 4.518 4.120 -0.006 0.000 0.277 241 V C 1.028 177.131 176.094 0.016 0.000 1.590 241 V CA 0.276 62.588 62.300 0.019 0.000 1.019 241 V CB -0.049 31.786 31.823 0.020 0.000 0.828 241 V HN 0.885 nan 8.190 nan 0.000 0.427 242 G N 1.844 110.651 108.800 0.012 0.000 2.855 242 G HA2 -0.226 3.731 3.960 -0.006 0.000 0.352 242 G HA3 -0.226 3.731 3.960 -0.006 0.000 0.352 242 G C -0.435 174.471 174.900 0.010 0.000 1.415 242 G CA 0.061 45.167 45.100 0.011 0.000 0.871 242 G HN 0.503 nan 8.290 nan 0.000 0.543 243 K N 0.386 120.792 120.400 0.010 0.000 2.316 243 K HA 0.572 4.888 4.320 -0.006 0.000 0.289 243 K C 0.874 177.480 176.600 0.010 0.000 1.070 243 K CA -0.554 55.739 56.287 0.009 0.000 0.928 243 K CB 0.267 32.772 32.500 0.009 0.000 1.039 243 K HN 0.472 nan 8.250 nan 0.000 0.480 244 L N 2.455 123.681 121.223 0.006 0.000 2.488 244 L HA 0.321 4.658 4.340 -0.006 0.000 0.249 244 L C 0.600 177.474 176.870 0.006 0.000 1.151 244 L CA -0.338 54.508 54.840 0.011 0.000 0.806 244 L CB 1.081 43.145 42.059 0.008 0.000 1.261 244 L HN 0.947 nan 8.230 nan 0.000 0.484 245 S N -0.732 114.978 115.700 0.017 0.000 2.600 245 S HA 0.172 4.638 4.470 -0.006 0.000 0.265 245 S C -0.341 174.254 174.600 -0.009 0.000 1.325 245 S CA -0.884 57.325 58.200 0.016 0.000 1.002 245 S CB 0.926 64.153 63.200 0.043 0.000 0.921 245 S HN 0.433 nan 8.310 nan 0.000 0.554 246 D N 0.568 120.960 120.400 -0.014 0.000 2.414 246 D HA 0.607 5.243 4.640 -0.006 0.000 0.251 246 D C -0.276 176.001 176.300 -0.038 0.000 1.252 246 D CA -0.116 53.858 54.000 -0.044 0.000 0.999 246 D CB 0.474 41.249 40.800 -0.040 0.000 1.093 246 D HN 0.843 nan 8.370 nan 0.000 0.515 247 A N 0.652 123.429 122.820 -0.072 0.000 2.332 247 A HA 0.586 4.902 4.320 -0.006 0.000 0.300 247 A C -2.509 175.052 177.584 -0.039 0.000 1.153 247 A CA -1.227 50.782 52.037 -0.048 0.000 0.764 247 A CB 0.659 19.590 19.000 -0.114 0.000 1.174 247 A HN 0.273 nan 8.150 nan 0.000 0.467 248 P HA 0.270 nan 4.420 nan 0.000 0.272 248 P C 0.910 178.207 177.300 -0.006 0.000 1.223 248 P CA -0.473 62.627 63.100 0.001 0.000 0.784 248 P CB 0.617 32.337 31.700 0.033 0.000 0.923 249 L N 1.172 122.400 121.223 0.007 0.000 2.129 249 L HA -0.214 4.122 4.340 -0.006 0.000 0.212 249 L C 1.923 178.824 176.870 0.051 0.000 1.087 249 L CA 1.585 56.438 54.840 0.022 0.000 0.757 249 L CB -0.820 41.255 42.059 0.026 0.000 0.896 249 L HN 0.529 nan 8.230 nan 0.000 0.434 250 N N -0.824 117.909 118.700 0.056 0.000 2.515 250 N HA -0.108 4.628 4.740 -0.006 0.000 0.191 250 N C 1.157 176.644 175.510 -0.039 0.000 1.182 250 N CA 1.350 54.464 53.050 0.106 0.000 0.879 250 N CB -0.420 38.177 38.487 0.183 0.000 0.984 250 N HN 0.431 nan 8.380 nan 0.000 0.453 251 T N -3.497 110.938 114.554 -0.198 0.000 3.040 251 T HA 0.289 4.635 4.350 -0.006 0.000 0.266 251 T C 1.696 176.192 174.700 -0.339 0.000 1.005 251 T CA -0.359 61.422 62.100 -0.532 0.000 0.906 251 T CB -0.284 68.307 68.868 -0.462 0.000 1.082 251 T HN 0.024 nan 8.240 nan 0.000 0.531 252 L N 0.892 122.106 121.223 -0.014 0.000 2.083 252 L HA 0.045 4.381 4.340 -0.006 0.000 0.209 252 L C 2.899 179.832 176.870 0.105 0.000 1.083 252 L CA 1.473 56.401 54.840 0.147 0.000 0.752 252 L CB -0.648 41.475 42.059 0.108 0.000 0.899 252 L HN 0.563 nan 8.230 nan 0.000 0.433 253 W N 0.142 121.445 121.300 0.006 0.000 2.364 253 W HA -0.167 4.489 4.660 -0.006 0.000 0.281 253 W C 1.617 178.149 176.519 0.021 0.000 1.219 253 W CA 0.519 57.871 57.345 0.011 0.000 1.220 253 W CB -1.060 28.394 29.460 -0.010 0.000 1.127 253 W HN 0.175 nan 8.180 nan 0.000 0.556 254 L N -0.148 120.527 121.223 -0.914 0.000 2.201 254 L HA -0.192 4.144 4.340 -0.006 0.000 0.212 254 L C 2.548 179.284 176.870 -0.224 0.000 1.105 254 L CA 1.419 55.816 54.840 -0.740 0.000 0.775 254 L CB -0.781 40.723 42.059 -0.924 0.000 0.913 254 L HN -0.132 nan 8.230 nan 0.000 0.440 255 Y N -1.219 119.045 120.300 -0.061 0.000 2.337 255 Y HA -0.202 4.344 4.550 -0.006 0.000 0.293 255 Y C 2.256 178.111 175.900 -0.075 0.000 1.123 255 Y CA 0.538 58.594 58.100 -0.074 0.000 1.201 255 Y CB -0.113 38.245 38.460 -0.169 0.000 1.011 255 Y HN 0.075 nan 8.280 nan 0.000 0.545 256 L N 0.399 121.690 121.223 0.114 0.000 2.083 256 L HA -0.173 4.163 4.340 -0.006 0.000 0.209 256 L C 1.890 178.801 176.870 0.069 0.000 1.083 256 L CA 1.644 56.541 54.840 0.095 0.000 0.752 256 L CB -0.679 41.461 42.059 0.135 0.000 0.899 256 L HN 0.228 nan 8.230 nan 0.000 0.433 257 I N -1.053 119.557 120.570 0.067 0.000 2.315 257 I HA -0.250 3.916 4.170 -0.006 0.000 0.248 257 I C 2.318 178.359 176.117 -0.127 0.000 1.117 257 I CA 0.928 62.263 61.300 0.058 0.000 1.404 257 I CB -0.333 37.780 38.000 0.188 0.000 1.071 257 I HN 0.341 nan 8.210 nan 0.000 0.419 258 L N 1.232 122.242 121.223 -0.356 0.000 2.083 258 L HA -0.061 4.275 4.340 -0.006 0.000 0.209 258 L C 2.340 179.178 176.870 -0.054 0.000 1.083 258 L CA 2.052 56.567 54.840 -0.541 0.000 0.752 258 L CB -1.185 40.515 42.059 -0.599 0.000 0.899 258 L HN 0.164 nan 8.230 nan 0.000 0.433 259 G N -0.205 108.601 108.800 0.010 0.000 2.446 259 G HA2 -0.273 3.683 3.960 -0.006 0.000 0.217 259 G HA3 -0.273 3.683 3.960 -0.006 0.000 0.217 259 G C 1.635 176.594 174.900 0.099 0.000 1.168 259 G CA 1.221 46.365 45.100 0.074 0.000 0.771 259 G HN 0.474 nan 8.290 nan 0.000 0.551 260 I N 0.630 121.237 120.570 0.063 0.000 2.208 260 I HA -0.184 3.982 4.170 -0.006 0.000 0.245 260 I C 2.651 178.802 176.117 0.057 0.000 1.097 260 I CA 0.899 62.242 61.300 0.072 0.000 1.363 260 I CB -0.227 37.819 38.000 0.076 0.000 1.051 260 I HN 0.149 nan 8.210 nan 0.000 0.413 261 I N -0.226 120.343 120.570 -0.002 0.000 2.226 261 I HA -0.302 3.865 4.170 -0.006 0.000 0.245 261 I C 2.258 178.323 176.117 -0.086 0.000 1.100 261 I CA 1.699 62.950 61.300 -0.082 0.000 1.374 261 I CB -0.349 37.524 38.000 -0.213 0.000 1.057 261 I HN 0.077 nan 8.210 nan 0.000 0.413 262 F N 0.629 120.551 119.950 -0.046 0.000 2.325 262 F HA -0.057 4.466 4.527 -0.007 0.000 0.299 262 F C 2.479 178.304 175.800 0.042 0.000 1.090 262 F CA 1.204 59.211 58.000 0.010 0.000 1.392 262 F CB -0.633 38.342 39.000 -0.043 0.000 1.053 262 F HN 0.021 nan 8.300 nan 0.000 0.521 263 G N 0.620 109.534 108.800 0.189 0.000 2.422 263 G HA2 -0.224 3.732 3.960 -0.006 0.000 0.218 263 G HA3 -0.224 3.732 3.960 -0.006 0.000 0.218 263 G C 1.633 176.588 174.900 0.092 0.000 1.140 263 G CA 1.107 46.274 45.100 0.113 0.000 0.775 263 G HN 0.531 nan 8.290 nan 0.000 0.545 264 I N -3.272 117.358 120.570 0.099 0.000 2.480 264 I HA 0.277 4.443 4.170 -0.006 0.000 0.251 264 I C 2.355 178.522 176.117 0.084 0.000 1.124 264 I CA 0.644 61.994 61.300 0.084 0.000 1.444 264 I CB -0.184 37.864 38.000 0.081 0.000 1.098 264 I HN 0.015 nan 8.210 nan 0.000 0.428 265 F N 2.574 122.492 119.950 -0.053 0.000 2.206 265 F HA 0.216 4.741 4.527 -0.005 0.000 0.298 265 F C 2.313 178.076 175.800 -0.062 0.000 1.090 265 F CA 1.146 59.090 58.000 -0.094 0.000 1.323 265 F CB -0.759 38.150 39.000 -0.151 0.000 1.028 265 F HN 0.110 nan 8.300 nan 0.000 0.492 266 G N 1.242 110.044 108.800 0.004 0.000 2.631 266 G HA2 -0.309 3.648 3.960 -0.006 0.000 0.219 266 G HA3 -0.309 3.648 3.960 -0.006 0.000 0.219 266 G C -0.650 174.162 174.900 -0.147 0.000 1.214 266 G CA 1.270 46.336 45.100 -0.057 0.000 0.785 266 G HN 0.299 nan 8.290 nan 0.000 0.596 267 P HA 0.006 nan 4.420 nan 0.000 0.218 267 P C 1.908 179.096 177.300 -0.186 0.000 1.149 267 P CA 0.707 63.741 63.100 -0.109 0.000 0.817 267 P CB -0.061 31.607 31.700 -0.053 0.000 0.785 268 I N -2.201 118.189 120.570 -0.300 0.000 2.315 268 I HA -0.227 3.939 4.170 -0.006 0.000 0.248 268 I C 2.162 177.781 176.117 -0.830 0.000 1.117 268 I CA 1.225 62.252 61.300 -0.455 0.000 1.404 268 I CB -0.510 37.226 38.000 -0.440 0.000 1.071 268 I HN -0.133 nan 8.210 nan 0.000 0.419 269 F N 1.832 121.121 119.950 -1.100 0.000 2.216 269 F HA -0.195 4.328 4.527 -0.006 0.000 0.300 269 F C 2.111 177.670 175.800 -0.402 0.000 1.085 269 F CA 1.724 59.157 58.000 -0.945 0.000 1.326 269 F CB -0.522 37.922 39.000 -0.927 0.000 1.027 269 F HN 0.089 nan 8.300 nan 0.000 0.497 270 N N -0.218 118.333 118.700 -0.249 0.000 2.188 270 N HA -0.158 4.578 4.740 -0.006 0.000 0.184 270 N C 1.724 177.173 175.510 -0.100 0.000 1.018 270 N CA 0.821 53.781 53.050 -0.151 0.000 0.858 270 N CB -0.044 38.397 38.487 -0.076 0.000 0.989 270 N HN 0.309 nan 8.380 nan 0.000 0.426 271 K N 0.238 120.594 120.400 -0.073 0.000 2.026 271 K HA -0.139 4.177 4.320 -0.006 0.000 0.208 271 K C 1.685 178.378 176.600 0.155 0.000 1.048 271 K CA 1.124 57.445 56.287 0.057 0.000 0.929 271 K CB -0.117 32.453 32.500 0.117 0.000 0.713 271 K HN 0.248 nan 8.250 nan 0.000 0.439 272 W N 0.592 121.779 121.300 -0.188 0.000 2.335 272 W HA -0.158 4.498 4.660 -0.008 0.000 0.311 272 W C 2.227 178.615 176.519 -0.218 0.000 1.213 272 W CA 0.230 57.453 57.345 -0.204 0.000 1.274 272 W CB -1.315 27.984 29.460 -0.268 0.000 1.148 272 W HN -0.093 nan 8.180 nan 0.000 0.498 273 V N 0.777 120.641 119.914 -0.085 0.000 2.343 273 V HA -0.274 3.842 4.120 -0.006 0.000 0.247 273 V C 2.070 178.189 176.094 0.042 0.000 1.051 273 V CA 1.953 64.214 62.300 -0.065 0.000 1.036 273 V CB -0.589 31.148 31.823 -0.143 0.000 0.654 273 V HN 0.126 nan 8.190 nan 0.000 0.451 274 L N 0.383 121.627 121.223 0.035 0.000 1.988 274 L HA 0.006 4.342 4.340 -0.006 0.000 0.207 274 L C 2.801 179.690 176.870 0.031 0.000 1.071 274 L CA 1.835 56.702 54.840 0.045 0.000 0.744 274 L CB -1.500 40.583 42.059 0.039 0.000 0.893 274 L HN 0.453 nan 8.230 nan 0.000 0.433 275 G N -0.282 108.536 108.800 0.029 0.000 2.469 275 G HA2 -0.360 3.597 3.960 -0.006 0.000 0.220 275 G HA3 -0.360 3.597 3.960 -0.006 0.000 0.220 275 G C 1.564 176.457 174.900 -0.012 0.000 1.136 275 G CA 1.203 46.308 45.100 0.007 0.000 0.759 275 G HN 0.204 nan 8.290 nan 0.000 0.562 276 M N 0.183 119.780 119.600 -0.004 0.000 2.349 276 M HA 0.127 4.603 4.480 -0.006 0.000 0.266 276 M C 2.538 178.843 176.300 0.008 0.000 1.076 276 M CA 1.138 56.431 55.300 -0.011 0.000 1.126 276 M CB -0.231 32.370 32.600 0.002 0.000 1.392 276 M HN 0.298 nan 8.290 nan 0.000 0.440 277 Q N -0.043 119.773 119.800 0.027 0.000 2.096 277 Q HA -0.201 4.135 4.340 -0.006 0.000 0.204 277 Q C 1.427 177.433 176.000 0.010 0.000 0.982 277 Q CA 1.700 57.523 55.803 0.033 0.000 0.850 277 Q CB -0.199 28.558 28.738 0.032 0.000 0.901 277 Q HN 0.541 nan 8.270 nan 0.000 0.422 278 D N 0.658 121.054 120.400 -0.007 0.000 2.091 278 D HA -0.138 4.498 4.640 -0.006 0.000 0.199 278 D C 1.857 178.137 176.300 -0.033 0.000 0.980 278 D CA 0.705 54.697 54.000 -0.014 0.000 0.831 278 D CB -0.360 40.431 40.800 -0.016 0.000 0.987 278 D HN 0.136 nan 8.370 nan 0.000 0.460 279 L N 0.306 121.499 121.223 -0.051 0.000 2.187 279 L HA -0.127 4.209 4.340 -0.006 0.000 0.213 279 L C 2.135 178.927 176.870 -0.129 0.000 1.100 279 L CA 0.843 55.634 54.840 -0.082 0.000 0.765 279 L CB 0.012 42.025 42.059 -0.076 0.000 0.904 279 L HN 0.005 nan 8.230 nan 0.000 0.437 280 L N -1.957 119.190 121.223 -0.126 0.000 2.446 280 L HA -0.128 4.209 4.340 -0.006 0.000 0.219 280 L C 2.203 178.758 176.870 -0.525 0.000 1.116 280 L CA 0.262 54.977 54.840 -0.209 0.000 0.844 280 L CB -0.328 41.690 42.059 -0.068 0.000 0.970 280 L HN 0.283 nan 8.230 nan 0.000 0.457 281 H N 0.334 119.095 119.070 -0.516 0.000 2.428 281 H HA -0.026 4.526 4.556 -0.007 0.000 0.296 281 H C 2.293 177.214 175.328 -0.678 0.000 1.062 281 H CA 1.313 56.935 56.048 -0.710 0.000 1.350 281 H CB 0.279 29.884 29.762 -0.262 0.000 1.403 281 H HN 0.079 nan 8.280 nan 0.000 0.533 282 R N -0.546 119.712 120.500 -0.402 0.000 2.096 282 R HA -0.078 4.258 4.340 -0.006 0.000 0.235 282 R C 2.237 178.309 176.300 -0.380 0.000 1.127 282 R CA 1.285 57.194 56.100 -0.318 0.000 0.968 282 R CB -0.224 29.971 30.300 -0.176 0.000 0.861 282 R HN 0.186 nan 8.270 nan 0.000 0.440 283 V N 1.067 120.709 119.914 -0.455 0.000 2.392 283 V HA -0.254 3.862 4.120 -0.006 0.000 0.249 283 V C 1.895 177.794 176.094 -0.324 0.000 1.059 283 V CA 2.332 64.425 62.300 -0.344 0.000 1.051 283 V CB -0.624 31.027 31.823 -0.287 0.000 0.658 283 V HN 0.559 nan 8.190 nan 0.000 0.455 284 H N -1.720 117.148 119.070 -0.337 0.000 2.855 284 H HA 0.450 5.002 4.556 -0.007 0.000 0.259 284 H C 1.668 176.815 175.328 -0.301 0.000 0.972 284 H CA 0.367 56.231 56.048 -0.306 0.000 1.213 284 H CB -0.247 29.285 29.762 -0.383 0.000 1.451 284 H HN 0.294 nan 8.280 nan 0.000 0.484 285 G N 0.185 108.738 108.800 -0.411 0.000 2.166 285 G HA2 -0.136 3.820 3.960 -0.006 0.000 0.260 285 G HA3 -0.136 3.820 3.960 -0.006 0.000 0.260 285 G C 1.329 176.115 174.900 -0.190 0.000 0.986 285 G CA 1.010 45.901 45.100 -0.347 0.000 0.683 285 G HN 1.581 nan 8.290 nan 0.000 0.527 286 G N -1.149 107.645 108.800 -0.010 0.000 2.176 286 G HA2 -0.214 3.742 3.960 -0.006 0.000 0.232 286 G HA3 -0.214 3.742 3.960 -0.006 0.000 0.232 286 G C 0.161 175.231 174.900 0.283 0.000 0.986 286 G CA 0.719 45.987 45.100 0.279 0.000 0.643 286 G HN 1.697 nan 8.290 nan 0.000 0.522 287 N N 0.821 119.637 118.700 0.194 0.000 2.431 287 N HA 0.297 5.033 4.740 -0.006 0.000 0.265 287 N C 1.478 177.108 175.510 0.201 0.000 1.184 287 N CA -0.015 53.127 53.050 0.153 0.000 0.943 287 N CB 0.419 38.963 38.487 0.095 0.000 1.080 287 N HN 0.294 nan 8.380 nan 0.000 0.477 288 I N 2.633 123.296 120.570 0.153 0.000 2.657 288 I HA -0.261 3.905 4.170 -0.006 0.000 0.261 288 I C 0.930 177.137 176.117 0.149 0.000 1.212 288 I CA 1.104 62.486 61.300 0.137 0.000 1.453 288 I CB 0.169 38.212 38.000 0.072 0.000 1.092 288 I HN 0.559 nan 8.210 nan 0.000 0.452 289 T N 0.106 114.732 114.554 0.120 0.000 2.866 289 T HA -0.065 4.281 4.350 -0.006 0.000 0.250 289 T C 1.796 176.554 174.700 0.097 0.000 1.033 289 T CA 0.826 62.980 62.100 0.090 0.000 1.145 289 T CB -0.012 68.889 68.868 0.057 0.000 0.866 289 T HN 0.275 nan 8.240 nan 0.000 0.434 290 K N 0.149 120.612 120.400 0.105 0.000 2.148 290 K HA -0.063 4.253 4.320 -0.006 0.000 0.204 290 K C 2.059 178.739 176.600 0.132 0.000 1.050 290 K CA 0.812 57.157 56.287 0.096 0.000 0.942 290 K CB -0.026 32.525 32.500 0.085 0.000 0.724 290 K HN 0.302 nan 8.250 nan 0.000 0.446 291 W N 1.274 122.542 121.300 -0.053 0.000 2.380 291 W HA -0.131 4.525 4.660 -0.007 0.000 0.317 291 W C 1.810 178.232 176.519 -0.162 0.000 1.196 291 W CA 0.894 58.123 57.345 -0.194 0.000 1.307 291 W CB -0.654 28.600 29.460 -0.343 0.000 1.157 291 W HN -0.236 nan 8.180 nan 0.000 0.483 292 V N 1.160 121.204 119.914 0.217 0.000 2.392 292 V HA -0.317 3.799 4.120 -0.006 0.000 0.249 292 V C 2.468 178.556 176.094 -0.010 0.000 1.059 292 V CA 1.756 64.113 62.300 0.095 0.000 1.051 292 V CB -1.077 30.836 31.823 0.149 0.000 0.658 292 V HN 0.105 nan 8.190 nan 0.000 0.455 293 L N -1.177 120.060 121.223 0.024 0.000 2.027 293 L HA -0.207 4.129 4.340 -0.006 0.000 0.206 293 L C 2.501 179.356 176.870 -0.024 0.000 1.074 293 L CA 1.991 56.835 54.840 0.007 0.000 0.745 293 L CB -0.409 41.667 42.059 0.029 0.000 0.898 293 L HN 0.342 nan 8.230 nan 0.000 0.433 294 M N -0.481 119.103 119.600 -0.027 0.000 2.117 294 M HA -0.141 4.335 4.480 -0.006 0.000 0.262 294 M C 2.106 178.303 176.300 -0.171 0.000 1.065 294 M CA 2.057 57.329 55.300 -0.048 0.000 1.114 294 M CB -0.482 32.113 32.600 -0.008 0.000 1.361 294 M HN 0.300 nan 8.290 nan 0.000 0.408 295 G N -0.660 107.880 108.800 -0.433 0.000 2.442 295 G HA2 -0.197 3.759 3.960 -0.006 0.000 0.219 295 G HA3 -0.197 3.759 3.960 -0.006 0.000 0.219 295 G C 1.370 175.967 174.900 -0.505 0.000 1.141 295 G CA 0.936 45.345 45.100 -1.151 0.000 0.763 295 G HN 0.616 nan 8.290 nan 0.000 0.554 296 G N 0.692 109.336 108.800 -0.259 0.000 2.421 296 G HA2 0.164 4.121 3.960 -0.006 0.000 0.217 296 G HA3 0.164 4.121 3.960 -0.006 0.000 0.217 296 G C 1.967 176.769 174.900 -0.162 0.000 1.143 296 G CA 1.318 46.338 45.100 -0.134 0.000 0.784 296 G HN 0.607 nan 8.290 nan 0.000 0.541 297 A N 0.876 123.664 122.820 -0.055 0.000 1.898 297 A HA 0.087 4.403 4.320 -0.006 0.000 0.216 297 A C 2.356 179.947 177.584 0.013 0.000 1.181 297 A CA 1.166 53.252 52.037 0.080 0.000 0.620 297 A CB -0.306 18.773 19.000 0.132 0.000 0.819 297 A HN 0.357 nan 8.150 nan 0.000 0.442 298 I N -0.291 120.271 120.570 -0.013 0.000 2.163 298 I HA -0.158 4.008 4.170 -0.006 0.000 0.240 298 I C 2.761 178.872 176.117 -0.010 0.000 1.081 298 I CA 1.140 62.456 61.300 0.025 0.000 1.353 298 I CB -0.800 37.243 38.000 0.071 0.000 1.054 298 I HN 0.362 nan 8.210 nan 0.000 0.407 299 G N 0.643 109.423 108.800 -0.033 0.000 2.469 299 G HA2 -0.230 3.726 3.960 -0.006 0.000 0.219 299 G HA3 -0.230 3.726 3.960 -0.006 0.000 0.219 299 G C 1.730 176.508 174.900 -0.202 0.000 1.150 299 G CA 0.972 46.045 45.100 -0.045 0.000 0.763 299 G HN 0.518 nan 8.290 nan 0.000 0.561 300 G N 0.588 109.086 108.800 -0.503 0.000 2.408 300 G HA2 -0.092 3.864 3.960 -0.006 0.000 0.217 300 G HA3 -0.092 3.864 3.960 -0.006 0.000 0.217 300 G C 1.725 176.355 174.900 -0.450 0.000 1.150 300 G CA 0.933 45.403 45.100 -1.049 0.000 0.776 300 G HN 0.433 nan 8.290 nan 0.000 0.542 301 L N 0.520 121.673 121.223 -0.117 0.000 2.131 301 L HA -0.003 4.333 4.340 -0.006 0.000 0.210 301 L C 2.631 179.552 176.870 0.085 0.000 1.092 301 L CA 1.413 56.331 54.840 0.131 0.000 0.759 301 L CB -0.617 41.529 42.059 0.144 0.000 0.903 301 L HN 0.241 nan 8.230 nan 0.000 0.435 302 C N -0.383 118.935 119.300 0.029 0.000 2.466 302 C HA 0.051 4.507 4.460 -0.006 0.000 0.278 302 C C 2.749 177.770 174.990 0.052 0.000 1.288 302 C CA 0.547 59.593 59.018 0.047 0.000 1.722 302 C CB -1.777 25.988 27.740 0.041 0.000 2.017 302 C HN 0.726 nan 8.230 nan 0.000 0.488 303 G N 0.136 108.945 108.800 0.014 0.000 2.448 303 G HA2 -0.163 3.793 3.960 -0.006 0.000 0.219 303 G HA3 -0.163 3.793 3.960 -0.006 0.000 0.219 303 G C 1.543 176.489 174.900 0.076 0.000 1.127 303 G CA 0.747 45.862 45.100 0.025 0.000 0.766 303 G HN 0.486 nan 8.290 nan 0.000 0.552 304 L N -0.049 121.239 121.223 0.109 0.000 2.023 304 L HA 0.218 4.555 4.340 -0.006 0.000 0.205 304 L C 2.650 179.641 176.870 0.202 0.000 1.073 304 L CA 1.241 56.180 54.840 0.164 0.000 0.745 304 L CB -0.251 41.941 42.059 0.222 0.000 0.900 304 L HN 0.159 nan 8.230 nan 0.000 0.435 305 L N -0.519 120.805 121.223 0.167 0.000 2.141 305 L HA -0.047 4.290 4.340 -0.006 0.000 0.209 305 L C 2.107 179.073 176.870 0.159 0.000 1.094 305 L CA 0.943 55.879 54.840 0.161 0.000 0.763 305 L CB -0.927 41.207 42.059 0.124 0.000 0.908 305 L HN 0.446 nan 8.230 nan 0.000 0.437 306 G N -1.724 107.166 108.800 0.150 0.000 3.028 306 G HA2 -0.184 3.772 3.960 -0.006 0.000 0.205 306 G HA3 -0.184 3.772 3.960 -0.006 0.000 0.205 306 G C 0.807 175.838 174.900 0.217 0.000 1.182 306 G CA 0.172 45.359 45.100 0.145 0.000 0.860 306 G HN 0.342 nan 8.290 nan 0.000 0.507 307 F N -0.575 119.409 119.950 0.057 0.000 2.244 307 F HA 0.102 4.628 4.527 -0.002 0.000 0.272 307 F C 2.069 177.913 175.800 0.074 0.000 0.882 307 F CA 0.657 58.686 58.000 0.049 0.000 1.101 307 F CB 0.094 39.104 39.000 0.017 0.000 1.097 307 F HN 0.006 nan 8.300 nan 0.000 0.762 308 V N -0.411 119.610 119.914 0.178 0.000 3.217 308 V HA 0.503 4.619 4.120 -0.006 0.000 0.264 308 V C 0.536 176.680 176.094 0.085 0.000 1.135 308 V CA 1.038 63.402 62.300 0.107 0.000 1.142 308 V CB -0.761 31.197 31.823 0.226 0.000 0.754 308 V HN 0.589 nan 8.190 nan 0.000 0.484 309 A N -0.332 122.553 122.820 0.109 0.000 3.208 309 A HA 0.601 4.917 4.320 -0.006 0.000 0.252 309 A C -1.824 175.835 177.584 0.125 0.000 1.225 309 A CA -0.231 51.892 52.037 0.143 0.000 0.980 309 A CB 0.153 19.304 19.000 0.251 0.000 1.414 309 A HN 0.271 nan 8.150 nan 0.000 0.721 310 P HA -0.187 nan 4.420 nan 0.000 0.220 310 P C 1.736 179.090 177.300 0.089 0.000 1.144 310 P CA 1.970 65.126 63.100 0.092 0.000 0.800 310 P CB 0.303 32.052 31.700 0.081 0.000 0.772 311 A N -0.486 122.390 122.820 0.094 0.000 1.969 311 A HA -0.154 4.162 4.320 -0.006 0.000 0.218 311 A C 2.211 179.794 177.584 -0.003 0.000 1.169 311 A CA 2.167 54.237 52.037 0.055 0.000 0.635 311 A CB -1.807 17.208 19.000 0.024 0.000 0.810 311 A HN 0.343 nan 8.150 nan 0.000 0.445 312 T N -3.234 111.321 114.554 0.000 0.000 2.904 312 T HA 0.060 4.406 4.350 -0.006 0.000 0.267 312 T C 1.244 175.936 174.700 -0.013 0.000 1.059 312 T CA 1.278 63.344 62.100 -0.056 0.000 1.137 312 T CB -0.269 68.569 68.868 -0.049 0.000 0.879 312 T HN 0.306 nan 8.240 nan 0.000 0.467 313 S N -0.708 115.009 115.700 0.029 0.000 2.748 313 S HA 0.643 5.109 4.470 -0.006 0.000 0.299 313 S C 0.537 175.158 174.600 0.035 0.000 1.119 313 S CA 0.225 58.448 58.200 0.039 0.000 0.997 313 S CB 0.698 63.936 63.200 0.063 0.000 1.223 313 S HN 1.442 nan 8.310 nan 0.000 0.541 314 G N -0.187 108.635 108.800 0.037 0.000 2.814 314 G HA2 -0.037 3.920 3.960 -0.006 0.000 0.677 314 G HA3 -0.037 3.920 3.960 -0.006 0.000 0.677 314 G C 0.805 175.703 174.900 -0.004 0.000 1.429 314 G CA -0.013 45.104 45.100 0.028 0.000 0.868 314 G HN 1.440 nan 8.290 nan 0.000 0.553 315 G N -0.779 108.004 108.800 -0.028 0.000 2.476 315 G HA2 0.325 4.282 3.960 -0.006 0.000 0.218 315 G HA3 0.325 4.282 3.960 -0.006 0.000 0.218 315 G C 2.030 176.807 174.900 -0.205 0.000 1.164 315 G CA 2.504 47.527 45.100 -0.128 0.000 0.768 315 G HN 2.774 nan 8.290 nan 0.000 0.560 316 G N -1.458 107.269 108.800 -0.122 0.000 2.336 316 G HA2 -0.212 3.744 3.960 -0.006 0.000 0.194 316 G HA3 -0.212 3.744 3.960 -0.006 0.000 0.194 316 G C 1.038 175.972 174.900 0.056 0.000 0.999 316 G CA 0.539 45.601 45.100 -0.062 0.000 0.669 316 G HN 0.231 nan 8.290 nan 0.000 0.482 317 F N 2.285 122.296 119.950 0.101 0.000 2.250 317 F HA 0.003 4.525 4.527 -0.007 0.000 0.301 317 F C 2.273 178.132 175.800 0.100 0.000 1.077 317 F CA 1.665 59.727 58.000 0.105 0.000 1.348 317 F CB -0.687 38.381 39.000 0.115 0.000 1.040 317 F HN 0.301 nan 8.300 nan 0.000 0.509 318 N N 0.542 119.405 118.700 0.272 0.000 2.188 318 N HA -0.131 4.605 4.740 -0.006 0.000 0.184 318 N C 1.617 177.246 175.510 0.199 0.000 1.018 318 N CA 1.374 54.545 53.050 0.202 0.000 0.858 318 N CB -0.539 38.045 38.487 0.162 0.000 0.989 318 N HN 0.356 nan 8.380 nan 0.000 0.426 319 L N -1.904 119.451 121.223 0.220 0.000 2.558 319 L HA 0.365 4.701 4.340 -0.006 0.000 0.225 319 L C 1.431 178.473 176.870 0.287 0.000 1.128 319 L CA 0.763 55.779 54.840 0.294 0.000 0.868 319 L CB -0.414 41.808 42.059 0.271 0.000 1.006 319 L HN 0.027 nan 8.230 nan 0.000 0.454 320 I N 0.718 121.423 120.570 0.226 0.000 2.113 320 I HA -0.107 4.059 4.170 -0.006 0.000 0.238 320 I C -0.121 176.091 176.117 0.159 0.000 1.070 320 I CA 1.343 62.760 61.300 0.196 0.000 1.332 320 I CB -1.337 36.781 38.000 0.198 0.000 1.044 320 I HN 0.254 nan 8.210 nan 0.000 0.402 321 P HA -0.140 nan 4.420 nan 0.000 0.216 321 P C 1.790 179.126 177.300 0.060 0.000 1.150 321 P CA 1.555 64.704 63.100 0.082 0.000 0.837 321 P CB -0.056 31.682 31.700 0.064 0.000 0.786 322 I N -0.737 119.871 120.570 0.063 0.000 2.226 322 I HA -0.228 3.938 4.170 -0.006 0.000 0.245 322 I C 2.331 178.427 176.117 -0.035 0.000 1.100 322 I CA 1.508 62.769 61.300 -0.065 0.000 1.374 322 I CB -0.870 37.026 38.000 -0.173 0.000 1.057 322 I HN -0.082 nan 8.210 nan 0.000 0.413 323 A N 0.592 123.549 122.820 0.229 0.000 1.898 323 A HA -0.157 4.159 4.320 -0.006 0.000 0.216 323 A C 2.385 180.080 177.584 0.185 0.000 1.181 323 A CA 2.206 54.447 52.037 0.339 0.000 0.620 323 A CB -1.027 18.196 19.000 0.371 0.000 0.819 323 A HN 0.388 nan 8.150 nan 0.000 0.442 324 T N 0.507 115.143 114.554 0.137 0.000 2.788 324 T HA -0.012 4.334 4.350 -0.006 0.000 0.268 324 T C 2.074 176.822 174.700 0.081 0.000 1.044 324 T CA 1.415 63.579 62.100 0.108 0.000 1.139 324 T CB -0.389 68.531 68.868 0.086 0.000 0.867 324 T HN 0.566 nan 8.240 nan 0.000 0.454 325 A N 0.630 123.479 122.820 0.048 0.000 2.172 325 A HA 0.424 4.740 4.320 -0.006 0.000 0.216 325 A C 1.938 179.535 177.584 0.021 0.000 1.154 325 A CA 1.004 53.055 52.037 0.023 0.000 0.701 325 A CB -0.971 18.024 19.000 -0.009 0.000 0.789 325 A HN 0.883 nan 8.150 nan 0.000 0.465 326 G N -0.617 108.205 108.800 0.037 0.000 2.182 326 G HA2 -0.278 3.678 3.960 -0.006 0.000 0.248 326 G HA3 -0.278 3.678 3.960 -0.006 0.000 0.248 326 G C 0.338 175.237 174.900 -0.002 0.000 1.042 326 G CA 0.471 45.599 45.100 0.046 0.000 0.775 326 G HN 0.648 nan 8.290 nan 0.000 0.501 327 N N -1.188 117.455 118.700 -0.094 0.000 2.446 327 N HA 0.191 4.927 4.740 -0.006 0.000 0.179 327 N C 0.316 175.688 175.510 -0.231 0.000 1.054 327 N CA -0.011 52.918 53.050 -0.201 0.000 0.905 327 N CB 0.109 38.404 38.487 -0.320 0.000 0.973 327 N HN 0.390 nan 8.380 nan 0.000 0.448 328 F N 1.115 121.091 119.950 0.043 0.000 2.371 328 F HA 0.202 4.723 4.527 -0.010 0.000 0.329 328 F C 1.287 177.107 175.800 0.034 0.000 1.107 328 F CA -1.349 56.679 58.000 0.046 0.000 1.137 328 F CB 0.787 39.825 39.000 0.064 0.000 1.214 328 F HN -0.139 nan 8.300 nan 0.000 0.536 329 S N 2.015 117.864 115.700 0.250 0.000 2.634 329 S HA 0.207 4.673 4.470 -0.006 0.000 0.261 329 S C 1.021 175.690 174.600 0.115 0.000 1.271 329 S CA -0.681 57.598 58.200 0.133 0.000 0.985 329 S CB 0.690 63.947 63.200 0.094 0.000 0.968 329 S HN 0.745 nan 8.310 nan 0.000 0.568 330 M N 1.649 121.285 119.600 0.060 0.000 2.099 330 M HA 0.145 4.621 4.480 -0.006 0.000 0.262 330 M C 2.029 178.353 176.300 0.040 0.000 1.067 330 M CA 2.279 57.599 55.300 0.034 0.000 1.124 330 M CB -1.492 31.108 32.600 0.000 0.000 1.353 330 M HN 0.910 nan 8.290 nan 0.000 0.410 331 G N -0.042 108.783 108.800 0.042 0.000 2.440 331 G HA2 -0.289 3.668 3.960 -0.006 0.000 0.218 331 G HA3 -0.289 3.668 3.960 -0.006 0.000 0.218 331 G C 1.487 176.441 174.900 0.089 0.000 1.154 331 G CA 1.382 46.512 45.100 0.050 0.000 0.767 331 G HN 0.502 nan 8.290 nan 0.000 0.552 332 M N 0.138 119.795 119.600 0.095 0.000 2.229 332 M HA 0.205 4.681 4.480 -0.006 0.000 0.264 332 M C 2.267 178.605 176.300 0.063 0.000 1.063 332 M CA 1.041 56.411 55.300 0.117 0.000 1.114 332 M CB -0.284 32.405 32.600 0.149 0.000 1.387 332 M HN 0.178 nan 8.290 nan 0.000 0.420 333 L N -1.605 119.641 121.223 0.038 0.000 2.056 333 L HA -0.164 4.172 4.340 -0.006 0.000 0.207 333 L C 2.234 179.123 176.870 0.032 0.000 1.078 333 L CA 0.769 55.604 54.840 -0.008 0.000 0.749 333 L CB -0.702 41.368 42.059 0.018 0.000 0.901 333 L HN 0.112 nan 8.230 nan 0.000 0.433 334 V N -0.180 119.766 119.914 0.054 0.000 2.295 334 V HA -0.342 3.774 4.120 -0.006 0.000 0.246 334 V C 2.209 178.396 176.094 0.155 0.000 1.049 334 V CA 2.076 64.420 62.300 0.074 0.000 1.024 334 V CB -0.580 31.276 31.823 0.054 0.000 0.648 334 V HN 0.369 nan 8.190 nan 0.000 0.447 335 F N 0.533 120.499 119.950 0.027 0.000 2.046 335 F HA -0.254 4.272 4.527 -0.002 0.000 0.297 335 F C 2.206 178.023 175.800 0.029 0.000 1.123 335 F CA 2.126 60.143 58.000 0.028 0.000 1.199 335 F CB -0.257 38.746 39.000 0.005 0.000 0.972 335 F HN 0.041 nan 8.300 nan 0.000 0.474 336 I N -0.450 120.015 120.570 -0.175 0.000 2.151 336 I HA -0.356 3.810 4.170 -0.006 0.000 0.243 336 I C 2.323 178.325 176.117 -0.192 0.000 1.080 336 I CA 1.814 62.938 61.300 -0.293 0.000 1.339 336 I CB -0.603 37.266 38.000 -0.218 0.000 1.039 336 I HN 0.265 nan 8.210 nan 0.000 0.409 337 F N 0.865 120.702 119.950 -0.189 0.000 2.069 337 F HA -0.254 4.269 4.527 -0.007 0.000 0.298 337 F C 2.409 178.152 175.800 -0.095 0.000 1.113 337 F CA 1.882 59.802 58.000 -0.134 0.000 1.214 337 F CB -0.452 38.471 39.000 -0.129 0.000 0.978 337 F HN -0.230 nan 8.300 nan 0.000 0.474 338 V N 0.367 120.319 119.914 0.063 0.000 2.287 338 V HA -0.335 3.781 4.120 -0.006 0.000 0.248 338 V C 2.689 178.723 176.094 -0.100 0.000 1.053 338 V CA 1.946 64.262 62.300 0.027 0.000 1.027 338 V CB -1.511 30.372 31.823 0.100 0.000 0.646 338 V HN 0.496 nan 8.190 nan 0.000 0.447 339 A N -0.543 122.121 122.820 -0.260 0.000 1.933 339 A HA -0.218 4.098 4.320 -0.006 0.000 0.218 339 A C 2.374 179.848 177.584 -0.183 0.000 1.175 339 A CA 1.737 53.603 52.037 -0.284 0.000 0.628 339 A CB -0.476 18.162 19.000 -0.603 0.000 0.814 339 A HN 0.494 nan 8.150 nan 0.000 0.444 340 R N -0.888 119.484 120.500 -0.213 0.000 2.153 340 R HA 0.013 4.349 4.340 -0.006 0.000 0.218 340 R C 2.004 178.236 176.300 -0.113 0.000 1.072 340 R CA 1.023 57.029 56.100 -0.156 0.000 0.990 340 R CB -0.333 29.860 30.300 -0.178 0.000 0.889 340 R HN 0.407 nan 8.270 nan 0.000 0.452 341 V N 1.570 121.387 119.914 -0.163 0.000 2.261 341 V HA -0.275 3.842 4.120 -0.006 0.000 0.246 341 V C 2.288 178.472 176.094 0.151 0.000 1.047 341 V CA 1.798 64.120 62.300 0.038 0.000 1.015 341 V CB -0.334 31.540 31.823 0.083 0.000 0.642 341 V HN 0.256 nan 8.190 nan 0.000 0.446 342 I N 0.812 121.432 120.570 0.084 0.000 2.118 342 I HA -0.301 3.865 4.170 -0.006 0.000 0.241 342 I C 2.696 178.857 176.117 0.072 0.000 1.070 342 I CA 2.321 63.664 61.300 0.072 0.000 1.327 342 I CB -0.755 37.263 38.000 0.031 0.000 1.034 342 I HN 0.533 nan 8.210 nan 0.000 0.405 343 T N -3.087 111.495 114.554 0.048 0.000 2.915 343 T HA -0.108 4.238 4.350 -0.006 0.000 0.269 343 T C 1.745 176.503 174.700 0.097 0.000 1.071 343 T CA 1.565 63.702 62.100 0.062 0.000 1.132 343 T CB -0.669 68.219 68.868 0.035 0.000 0.878 343 T HN 0.228 nan 8.240 nan 0.000 0.479 344 T N 2.275 116.895 114.554 0.111 0.000 2.777 344 T HA 0.164 4.510 4.350 -0.006 0.000 0.266 344 T C 1.863 176.686 174.700 0.205 0.000 1.040 344 T CA 0.982 63.179 62.100 0.162 0.000 1.141 344 T CB -0.422 68.564 68.868 0.195 0.000 0.868 344 T HN 0.310 nan 8.240 nan 0.000 0.444 345 L N 0.218 121.547 121.223 0.177 0.000 2.005 345 L HA -0.039 4.297 4.340 -0.006 0.000 0.207 345 L C 2.390 179.354 176.870 0.156 0.000 1.072 345 L CA 0.921 55.847 54.840 0.143 0.000 0.744 345 L CB -0.608 41.508 42.059 0.094 0.000 0.895 345 L HN 0.190 nan 8.230 nan 0.000 0.433 346 L N -0.921 120.380 121.223 0.130 0.000 2.187 346 L HA -0.250 4.086 4.340 -0.006 0.000 0.213 346 L C 2.445 179.422 176.870 0.178 0.000 1.100 346 L CA 1.441 56.358 54.840 0.128 0.000 0.765 346 L CB -0.572 41.547 42.059 0.100 0.000 0.904 346 L HN 0.367 nan 8.230 nan 0.000 0.437 347 C N -2.473 116.947 119.300 0.201 0.000 2.538 347 C HA -0.025 4.431 4.460 -0.006 0.000 0.281 347 C C 2.547 177.696 174.990 0.264 0.000 1.320 347 C CA -0.142 59.015 59.018 0.232 0.000 1.714 347 C CB -0.632 27.229 27.740 0.203 0.000 2.095 347 C HN 0.546 nan 8.230 nan 0.000 0.497 348 F N 1.812 121.840 119.950 0.129 0.000 2.179 348 F HA -0.029 4.494 4.527 -0.006 0.000 0.292 348 F C 2.489 178.369 175.800 0.133 0.000 1.089 348 F CA 1.743 59.817 58.000 0.122 0.000 1.295 348 F CB -0.460 38.609 39.000 0.116 0.000 1.041 348 F HN 0.022 nan 8.300 nan 0.000 0.487 349 S N -0.274 115.547 115.700 0.202 0.000 2.442 349 S HA -0.161 4.305 4.470 -0.006 0.000 0.236 349 S C 1.713 176.375 174.600 0.103 0.000 1.007 349 S CA 1.183 59.444 58.200 0.102 0.000 0.965 349 S CB -0.771 62.504 63.200 0.125 0.000 0.773 349 S HN 0.506 nan 8.310 nan 0.000 0.504 350 S N 0.695 116.503 115.700 0.180 0.000 2.763 350 S HA 0.392 4.858 4.470 -0.006 0.000 0.237 350 S C 1.303 176.183 174.600 0.467 0.000 0.966 350 S CA 0.260 58.661 58.200 0.336 0.000 1.017 350 S CB -0.524 62.898 63.200 0.370 0.000 0.780 350 S HN 0.631 nan 8.310 nan 0.000 0.476 351 G N 0.631 109.546 108.800 0.191 0.000 2.212 351 G HA2 -0.227 3.729 3.960 -0.006 0.000 0.267 351 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.267 351 G C 0.387 175.206 174.900 -0.135 0.000 1.002 351 G CA 0.073 45.213 45.100 0.068 0.000 0.729 351 G HN 1.399 nan 8.290 nan 0.000 0.517 352 A N 0.766 123.480 122.820 -0.176 0.000 2.498 352 A HA 0.570 4.886 4.320 -0.006 0.000 0.239 352 A C -1.164 176.266 177.584 -0.256 0.000 1.068 352 A CA -0.435 51.330 52.037 -0.454 0.000 0.766 352 A CB 0.352 19.194 19.000 -0.263 0.000 1.003 352 A HN 0.280 nan 8.150 nan 0.000 0.497 353 P HA 0.403 nan 4.420 nan 0.000 0.270 353 P C 0.076 177.372 177.300 -0.006 0.000 1.242 353 P CA 0.749 63.784 63.100 -0.107 0.000 0.768 353 P CB 0.581 32.228 31.700 -0.087 0.000 0.820 354 G N 2.003 110.835 108.800 0.053 0.000 2.282 354 G HA2 0.389 4.345 3.960 -0.006 0.000 0.274 354 G HA3 0.389 4.345 3.960 -0.006 0.000 0.274 354 G C -0.324 174.724 174.900 0.246 0.000 1.718 354 G CA -0.418 44.755 45.100 0.122 0.000 0.927 354 G HN 0.561 nan 8.290 nan 0.000 0.733 355 G N -0.513 108.411 108.800 0.205 0.000 2.634 355 G HA2 0.506 4.462 3.960 -0.006 0.000 0.255 355 G HA3 0.506 4.462 3.960 -0.006 0.000 0.255 355 G C 0.862 175.894 174.900 0.221 0.000 1.205 355 G CA -0.043 45.221 45.100 0.274 0.000 0.884 355 G HN 1.211 nan 8.290 nan 0.000 0.549 356 I N -0.233 120.362 120.570 0.040 0.000 4.082 356 I HA 0.248 4.414 4.170 -0.006 0.000 0.337 356 I C 1.582 177.685 176.117 -0.024 0.000 1.352 356 I CA -0.426 60.755 61.300 -0.198 0.000 1.097 356 I CB 0.034 37.488 38.000 -0.910 0.000 1.048 356 I HN 0.564 nan 8.210 nan 0.000 0.393 357 F N 1.682 121.625 119.950 -0.011 0.000 2.069 357 F HA -0.249 4.274 4.527 -0.006 0.000 0.298 357 F C 2.439 178.258 175.800 0.032 0.000 1.113 357 F CA 2.300 60.319 58.000 0.031 0.000 1.214 357 F CB -0.155 38.922 39.000 0.129 0.000 0.978 357 F HN 0.134 nan 8.300 nan 0.000 0.474 358 A N 0.113 123.119 122.820 0.309 0.000 1.873 358 A HA -0.067 4.250 4.320 -0.006 0.000 0.215 358 A C -0.268 177.283 177.584 -0.055 0.000 1.186 358 A CA 1.529 53.655 52.037 0.149 0.000 0.616 358 A CB -2.127 16.882 19.000 0.015 0.000 0.823 358 A HN 0.302 nan 8.150 nan 0.000 0.442 359 P HA -0.170 nan 4.420 nan 0.000 0.218 359 P C 1.523 178.759 177.300 -0.107 0.000 1.146 359 P CA 1.309 64.361 63.100 -0.080 0.000 0.813 359 P CB -0.170 31.512 31.700 -0.029 0.000 0.778 360 M N -2.116 117.399 119.600 -0.143 0.000 2.319 360 M HA -0.067 4.410 4.480 -0.006 0.000 0.265 360 M C 1.913 178.109 176.300 -0.175 0.000 1.068 360 M CA 1.276 56.444 55.300 -0.219 0.000 1.118 360 M CB -0.556 31.862 32.600 -0.303 0.000 1.395 360 M HN -0.019 nan 8.290 nan 0.000 0.435 361 L N -0.316 120.827 121.223 -0.134 0.000 2.027 361 L HA -0.155 4.181 4.340 -0.006 0.000 0.206 361 L C 2.813 179.682 176.870 -0.001 0.000 1.074 361 L CA 1.265 56.063 54.840 -0.070 0.000 0.745 361 L CB -0.827 41.242 42.059 0.016 0.000 0.898 361 L HN 0.270 nan 8.230 nan 0.000 0.433 362 A N 0.047 122.870 122.820 0.005 0.000 1.940 362 A HA -0.192 4.124 4.320 -0.006 0.000 0.219 362 A C 2.237 179.844 177.584 0.039 0.000 1.176 362 A CA 1.577 53.633 52.037 0.031 0.000 0.631 362 A CB -0.709 18.287 19.000 -0.006 0.000 0.814 362 A HN 0.370 nan 8.150 nan 0.000 0.446 363 L N -0.984 120.235 121.223 -0.007 0.000 2.056 363 L HA -0.071 4.265 4.340 -0.006 0.000 0.207 363 L C 2.863 179.865 176.870 0.221 0.000 1.078 363 L CA 1.042 55.904 54.840 0.036 0.000 0.749 363 L CB -0.784 41.176 42.059 -0.164 0.000 0.901 363 L HN 0.476 nan 8.230 nan 0.000 0.433 364 G N -0.731 108.175 108.800 0.178 0.000 2.418 364 G HA2 -0.230 3.726 3.960 -0.006 0.000 0.217 364 G HA3 -0.230 3.726 3.960 -0.006 0.000 0.217 364 G C 1.558 176.609 174.900 0.253 0.000 1.158 364 G CA 1.277 46.560 45.100 0.305 0.000 0.771 364 G HN 0.288 nan 8.290 nan 0.000 0.545 365 T N 0.994 115.633 114.554 0.142 0.000 2.622 365 T HA -0.156 4.191 4.350 -0.006 0.000 0.266 365 T C 2.500 177.298 174.700 0.162 0.000 1.047 365 T CA 1.433 63.616 62.100 0.138 0.000 1.159 365 T CB -0.498 68.444 68.868 0.123 0.000 0.863 365 T HN 0.040 nan 8.240 nan 0.000 0.422 366 V N 1.518 121.527 119.914 0.160 0.000 2.287 366 V HA -0.136 3.980 4.120 -0.006 0.000 0.248 366 V C 2.440 178.574 176.094 0.066 0.000 1.053 366 V CA 1.557 63.939 62.300 0.137 0.000 1.027 366 V CB -0.710 31.212 31.823 0.165 0.000 0.646 366 V HN 0.319 nan 8.190 nan 0.000 0.447 367 L N 1.165 122.409 121.223 0.036 0.000 2.046 367 L HA -0.019 4.317 4.340 -0.006 0.000 0.208 367 L C 2.323 179.171 176.870 -0.036 0.000 1.077 367 L CA 2.459 57.155 54.840 -0.240 0.000 0.747 367 L CB -1.381 40.391 42.059 -0.479 0.000 0.896 367 L HN 0.266 nan 8.230 nan 0.000 0.432 368 G N -1.711 107.196 108.800 0.178 0.000 2.421 368 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.216 368 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.216 368 G C 1.410 176.469 174.900 0.265 0.000 1.171 368 G CA 1.249 46.514 45.100 0.274 0.000 0.775 368 G HN 0.444 nan 8.290 nan 0.000 0.543 369 T N 1.926 116.597 114.554 0.194 0.000 2.684 369 T HA -0.078 4.268 4.350 -0.006 0.000 0.267 369 T C 2.788 177.545 174.700 0.095 0.000 1.036 369 T CA 1.735 63.934 62.100 0.164 0.000 1.148 369 T CB -0.498 68.464 68.868 0.157 0.000 0.863 369 T HN 0.398 nan 8.240 nan 0.000 0.436 370 A N 1.070 123.917 122.820 0.044 0.000 1.908 370 A HA -0.078 4.239 4.320 -0.006 0.000 0.218 370 A C 2.048 179.611 177.584 -0.034 0.000 1.181 370 A CA 1.600 53.621 52.037 -0.026 0.000 0.627 370 A CB -1.046 17.885 19.000 -0.114 0.000 0.818 370 A HN 0.497 nan 8.150 nan 0.000 0.445 371 F N 1.013 120.873 119.950 -0.151 0.000 2.146 371 F HA 0.010 4.533 4.527 -0.005 0.000 0.298 371 F C 2.311 177.914 175.800 -0.329 0.000 1.096 371 F CA 1.456 59.335 58.000 -0.202 0.000 1.275 371 F CB -0.619 38.295 39.000 -0.143 0.000 1.008 371 F HN 0.211 nan 8.300 nan 0.000 0.480 372 G N 0.649 109.349 108.800 -0.166 0.000 2.446 372 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.217 372 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.217 372 G C 1.666 176.368 174.900 -0.329 0.000 1.168 372 G CA 1.115 45.969 45.100 -0.410 0.000 0.771 372 G HN 0.368 nan 8.290 nan 0.000 0.551 373 M N 0.046 119.543 119.600 -0.172 0.000 2.080 373 M HA -0.108 4.368 4.480 -0.006 0.000 0.260 373 M C 2.732 178.910 176.300 -0.204 0.000 1.068 373 M CA 1.203 56.422 55.300 -0.135 0.000 1.109 373 M CB -0.654 31.904 32.600 -0.071 0.000 1.342 373 M HN 0.127 nan 8.290 nan 0.000 0.405 374 V N 0.609 120.358 119.914 -0.275 0.000 2.287 374 V HA -0.274 3.842 4.120 -0.006 0.000 0.248 374 V C 2.701 178.574 176.094 -0.367 0.000 1.053 374 V CA 2.086 64.200 62.300 -0.311 0.000 1.027 374 V CB -1.350 30.265 31.823 -0.347 0.000 0.646 374 V HN 0.538 nan 8.190 nan 0.000 0.447 375 A N -0.403 122.097 122.820 -0.532 0.000 1.902 375 A HA -0.168 4.149 4.320 -0.006 0.000 0.217 375 A C 2.426 179.929 177.584 -0.133 0.000 1.181 375 A CA 2.069 53.858 52.037 -0.414 0.000 0.623 375 A CB -0.732 17.715 19.000 -0.922 0.000 0.818 375 A HN 0.318 nan 8.150 nan 0.000 0.443 376 V N 1.040 120.843 119.914 -0.186 0.000 2.255 376 V HA -0.331 3.785 4.120 -0.006 0.000 0.247 376 V C 2.643 178.690 176.094 -0.079 0.000 1.051 376 V CA 2.623 64.880 62.300 -0.071 0.000 1.018 376 V CB -0.878 30.910 31.823 -0.059 0.000 0.641 376 V HN 0.949 nan 8.190 nan 0.000 0.445 377 E N -0.259 119.859 120.200 -0.135 0.000 2.216 377 E HA -0.134 4.212 4.350 -0.006 0.000 0.192 377 E C 2.089 178.546 176.600 -0.239 0.000 0.988 377 E CA 1.057 57.364 56.400 -0.154 0.000 0.834 377 E CB -0.376 29.240 29.700 -0.140 0.000 0.772 377 E HN 0.524 nan 8.360 nan 0.000 0.479 378 L N -0.281 120.728 121.223 -0.357 0.000 2.291 378 L HA 0.065 4.401 4.340 -0.006 0.000 0.214 378 L C 0.114 176.392 176.870 -0.987 0.000 1.120 378 L CA 0.587 55.004 54.840 -0.705 0.000 0.799 378 L CB 0.205 41.708 42.059 -0.927 0.000 0.925 378 L HN 0.131 nan 8.230 nan 0.000 0.446 379 F N -1.708 118.169 119.950 -0.121 0.000 2.931 379 F HA 0.298 4.822 4.527 -0.006 0.000 0.375 379 F C -1.977 173.730 175.800 -0.155 0.000 1.243 379 F CA -1.444 56.460 58.000 -0.160 0.000 1.206 379 F CB 0.549 39.513 39.000 -0.060 0.000 1.643 379 F HN -0.212 nan 8.300 nan 0.000 0.593 380 P HA -0.146 nan 4.420 nan 0.000 0.225 380 P C 1.617 178.757 177.300 -0.268 0.000 1.156 380 P CA 0.845 63.855 63.100 -0.150 0.000 0.787 380 P CB 0.208 31.817 31.700 -0.152 0.000 0.802 381 Q N -1.213 118.473 119.800 -0.189 0.000 2.291 381 Q HA -0.163 4.173 4.340 -0.006 0.000 0.205 381 Q C 1.015 177.059 176.000 0.074 0.000 0.970 381 Q CA 1.507 57.230 55.803 -0.135 0.000 0.876 381 Q CB -1.008 27.651 28.738 -0.132 0.000 0.935 381 Q HN 0.256 nan 8.270 nan 0.000 0.455 382 Y N 0.691 121.055 120.300 0.108 0.000 2.519 382 Y HA 0.066 4.612 4.550 -0.007 0.000 0.287 382 Y C 0.123 176.174 175.900 0.250 0.000 1.128 382 Y CA 0.427 58.632 58.100 0.174 0.000 1.282 382 Y CB -0.418 38.105 38.460 0.105 0.000 1.027 382 Y HN 0.348 nan 8.280 nan 0.000 0.551 383 H N -1.517 117.686 119.070 0.222 0.000 2.826 383 H HA -0.155 4.398 4.556 -0.006 0.000 0.306 383 H C -0.077 175.342 175.328 0.152 0.000 1.235 383 H CA 0.173 56.309 56.048 0.147 0.000 1.150 383 H CB -2.106 27.724 29.762 0.114 0.000 1.409 383 H HN 0.156 nan 8.280 nan 0.000 0.420 384 L N 0.174 121.535 121.223 0.231 0.000 2.476 384 L HA 0.217 4.553 4.340 -0.006 0.000 0.264 384 L C 0.989 177.974 176.870 0.191 0.000 1.224 384 L CA 0.479 55.459 54.840 0.234 0.000 0.821 384 L CB 0.591 42.784 42.059 0.222 0.000 1.101 384 L HN 0.442 nan 8.230 nan 0.000 0.488 385 E N -0.229 120.111 120.200 0.234 0.000 2.265 385 E HA 0.319 4.665 4.350 -0.006 0.000 0.262 385 E C 0.071 176.836 176.600 0.275 0.000 0.889 385 E CA -0.392 56.122 56.400 0.190 0.000 0.789 385 E CB 1.838 31.627 29.700 0.149 0.000 1.221 385 E HN 0.663 nan 8.360 nan 0.000 0.414 386 A N 3.603 126.542 122.820 0.199 0.000 2.032 386 A HA -0.156 4.160 4.320 -0.006 0.000 0.221 386 A C 1.860 179.622 177.584 0.297 0.000 1.165 386 A CA 1.962 54.136 52.037 0.228 0.000 0.645 386 A CB -0.732 18.330 19.000 0.104 0.000 0.807 386 A HN 0.773 nan 8.150 nan 0.000 0.453 387 G N -0.279 108.645 108.800 0.207 0.000 2.475 387 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.220 387 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.220 387 G C 1.713 176.703 174.900 0.151 0.000 1.125 387 G CA 2.053 47.249 45.100 0.160 0.000 0.755 387 G HN 0.739 nan 8.290 nan 0.000 0.565 388 T N -1.657 112.993 114.554 0.160 0.000 2.867 388 T HA 0.011 4.357 4.350 -0.006 0.000 0.268 388 T C 2.038 176.743 174.700 0.008 0.000 1.057 388 T CA 0.863 62.978 62.100 0.026 0.000 1.136 388 T CB -0.388 68.448 68.868 -0.053 0.000 0.874 388 T HN 0.173 nan 8.240 nan 0.000 0.466 389 F N 1.832 121.912 119.950 0.217 0.000 2.367 389 F HA 0.434 4.957 4.527 -0.005 0.000 0.298 389 F C 2.811 178.712 175.800 0.168 0.000 1.094 389 F CA 0.240 58.391 58.000 0.252 0.000 1.409 389 F CB -0.631 38.525 39.000 0.260 0.000 1.064 389 F HN 0.251 nan 8.300 nan 0.000 0.528 390 A N 0.342 123.333 122.820 0.286 0.000 1.898 390 A HA -0.115 4.202 4.320 -0.006 0.000 0.216 390 A C 2.224 179.870 177.584 0.103 0.000 1.181 390 A CA 1.413 53.562 52.037 0.188 0.000 0.620 390 A CB -0.921 18.178 19.000 0.165 0.000 0.819 390 A HN 0.372 nan 8.150 nan 0.000 0.442 391 I N -0.538 120.066 120.570 0.056 0.000 2.439 391 I HA -0.188 3.978 4.170 -0.006 0.000 0.251 391 I C 2.835 178.908 176.117 -0.073 0.000 1.139 391 I CA 0.789 62.080 61.300 -0.015 0.000 1.438 391 I CB -0.145 37.833 38.000 -0.037 0.000 1.085 391 I HN 0.370 nan 8.210 nan 0.000 0.427 392 A N 0.524 123.299 122.820 -0.074 0.000 1.930 392 A HA -0.065 4.251 4.320 -0.006 0.000 0.217 392 A C 2.338 179.836 177.584 -0.144 0.000 1.175 392 A CA 1.669 53.627 52.037 -0.131 0.000 0.627 392 A CB -1.094 17.840 19.000 -0.110 0.000 0.815 392 A HN 0.437 nan 8.150 nan 0.000 0.443 393 G N -1.248 107.522 108.800 -0.050 0.000 2.623 393 G HA2 -0.042 3.914 3.960 -0.006 0.000 0.214 393 G HA3 -0.042 3.914 3.960 -0.006 0.000 0.214 393 G C 1.483 176.241 174.900 -0.237 0.000 1.138 393 G CA 0.774 45.795 45.100 -0.132 0.000 0.794 393 G HN 0.445 nan 8.290 nan 0.000 0.535 394 M N 0.935 120.462 119.600 -0.122 0.000 2.065 394 M HA -0.022 4.454 4.480 -0.006 0.000 0.259 394 M C 2.249 178.426 176.300 -0.205 0.000 1.069 394 M CA 1.924 57.161 55.300 -0.104 0.000 1.110 394 M CB -0.144 32.420 32.600 -0.060 0.000 1.328 394 M HN 0.207 nan 8.290 nan 0.000 0.405 395 G N -1.466 107.183 108.800 -0.251 0.000 3.233 395 G HA2 0.345 4.301 3.960 -0.006 0.000 0.227 395 G HA3 0.345 4.301 3.960 -0.006 0.000 0.227 395 G C 1.095 175.772 174.900 -0.373 0.000 1.175 395 G CA 0.513 45.443 45.100 -0.284 0.000 0.781 395 G HN 0.588 nan 8.290 nan 0.000 0.542 396 A N 0.331 122.807 122.820 -0.573 0.000 1.898 396 A HA 0.221 4.537 4.320 -0.006 0.000 0.214 396 A C 2.136 179.313 177.584 -0.679 0.000 1.183 396 A CA 0.513 52.054 52.037 -0.827 0.000 0.622 396 A CB -0.303 17.734 19.000 -1.605 0.000 0.824 396 A HN 0.343 nan 8.150 nan 0.000 0.444 397 L N -0.264 120.629 121.223 -0.550 0.000 2.083 397 L HA -0.115 4.221 4.340 -0.006 0.000 0.209 397 L C 2.324 179.060 176.870 -0.223 0.000 1.083 397 L CA 1.064 55.821 54.840 -0.138 0.000 0.752 397 L CB -0.274 41.775 42.059 -0.018 0.000 0.899 397 L HN 0.409 nan 8.230 nan 0.000 0.433 398 L N -0.657 120.374 121.223 -0.319 0.000 2.191 398 L HA -0.188 4.148 4.340 -0.006 0.000 0.212 398 L C 2.541 179.267 176.870 -0.239 0.000 1.103 398 L CA 1.033 55.658 54.840 -0.357 0.000 0.769 398 L CB -0.512 41.274 42.059 -0.455 0.000 0.908 398 L HN 0.284 nan 8.230 nan 0.000 0.438 399 A N -0.897 121.795 122.820 -0.214 0.000 2.081 399 A HA 0.241 4.557 4.320 -0.006 0.000 0.214 399 A C 2.180 179.698 177.584 -0.111 0.000 1.158 399 A CA 1.008 52.956 52.037 -0.150 0.000 0.724 399 A CB -0.138 18.764 19.000 -0.162 0.000 0.826 399 A HN 0.333 nan 8.150 nan 0.000 0.463 400 A N -1.748 121.012 122.820 -0.099 0.000 2.288 400 A HA 0.412 4.728 4.320 -0.006 0.000 0.216 400 A C 1.871 179.423 177.584 -0.053 0.000 1.199 400 A CA 1.168 53.179 52.037 -0.043 0.000 0.891 400 A CB 0.092 19.119 19.000 0.046 0.000 0.923 400 A HN 0.301 nan 8.150 nan 0.000 0.500 401 S N -1.077 114.569 115.700 -0.089 0.000 2.665 401 S HA 0.304 4.770 4.470 -0.006 0.000 0.240 401 S C 1.366 175.880 174.600 -0.144 0.000 1.081 401 S CA 0.187 58.331 58.200 -0.092 0.000 0.887 401 S CB -0.003 63.160 63.200 -0.061 0.000 0.805 401 S HN 0.429 nan 8.310 nan 0.000 0.486 402 I N 1.060 121.514 120.570 -0.192 0.000 3.645 402 I HA 0.173 4.339 4.170 -0.006 0.000 0.300 402 I C 0.142 176.212 176.117 -0.077 0.000 1.260 402 I CA 0.160 61.334 61.300 -0.210 0.000 1.365 402 I CB 0.215 38.050 38.000 -0.276 0.000 1.077 402 I HN 0.066 nan 8.210 nan 0.000 0.439 403 R N 0.563 121.019 120.500 -0.074 0.000 3.641 403 R HA -0.167 4.169 4.340 -0.006 0.000 0.286 403 R C 0.048 176.344 176.300 -0.006 0.000 1.153 403 R CA 0.751 56.825 56.100 -0.044 0.000 0.775 403 R CB -2.588 27.691 30.300 -0.035 0.000 1.215 403 R HN 0.370 nan 8.270 nan 0.000 0.474 404 A N 0.548 123.376 122.820 0.014 0.000 2.923 404 A HA 0.482 4.798 4.320 -0.006 0.000 0.343 404 A C -1.029 176.571 177.584 0.026 0.000 1.199 404 A CA -1.134 50.943 52.037 0.068 0.000 0.878 404 A CB 0.767 19.893 19.000 0.210 0.000 1.104 404 A HN -0.038 nan 8.150 nan 0.000 0.483 405 P HA -0.146 nan 4.420 nan 0.000 0.215 405 P C 1.592 178.877 177.300 -0.025 0.000 1.157 405 P CA 0.550 63.622 63.100 -0.047 0.000 0.859 405 P CB 0.210 31.876 31.700 -0.056 0.000 0.786 406 L N 0.037 121.261 121.223 0.001 0.000 2.079 406 L HA -0.117 4.219 4.340 -0.006 0.000 0.210 406 L C 2.182 179.072 176.870 0.033 0.000 1.081 406 L CA 2.197 57.044 54.840 0.012 0.000 0.752 406 L CB -1.737 40.335 42.059 0.022 0.000 0.896 406 L HN -0.056 nan 8.230 nan 0.000 0.433 407 T N -0.840 113.759 114.554 0.075 0.000 2.701 407 T HA -0.067 4.279 4.350 -0.006 0.000 0.263 407 T C 1.711 176.449 174.700 0.063 0.000 1.040 407 T CA 1.185 63.359 62.100 0.123 0.000 1.147 407 T CB -0.887 68.149 68.868 0.281 0.000 0.865 407 T HN 0.557 nan 8.240 nan 0.000 0.426 408 G N 1.449 110.260 108.800 0.019 0.000 2.476 408 G HA2 -0.198 3.759 3.960 -0.006 0.000 0.218 408 G HA3 -0.198 3.759 3.960 -0.006 0.000 0.218 408 G C 1.540 176.385 174.900 -0.092 0.000 1.164 408 G CA 0.807 45.862 45.100 -0.076 0.000 0.768 408 G HN 0.479 nan 8.290 nan 0.000 0.560 409 I N 0.580 121.104 120.570 -0.077 0.000 2.099 409 I HA -0.196 3.970 4.170 -0.006 0.000 0.239 409 I C 2.700 178.785 176.117 -0.053 0.000 1.066 409 I CA 1.145 62.400 61.300 -0.076 0.000 1.324 409 I CB -0.222 37.741 38.000 -0.062 0.000 1.037 409 I HN 0.138 nan 8.210 nan 0.000 0.401 410 I N -0.090 120.463 120.570 -0.028 0.000 2.361 410 I HA -0.269 3.897 4.170 -0.006 0.000 0.251 410 I C 2.412 178.501 176.117 -0.046 0.000 1.133 410 I CA 0.825 62.112 61.300 -0.022 0.000 1.413 410 I CB -0.204 37.794 38.000 -0.003 0.000 1.073 410 I HN 0.274 nan 8.210 nan 0.000 0.424 411 L N 0.551 121.735 121.223 -0.065 0.000 1.976 411 L HA -0.156 4.180 4.340 -0.006 0.000 0.209 411 L C 2.457 179.244 176.870 -0.139 0.000 1.071 411 L CA 1.857 56.622 54.840 -0.124 0.000 0.746 411 L CB -0.600 41.362 42.059 -0.161 0.000 0.890 411 L HN -0.046 nan 8.230 nan 0.000 0.432 412 V N -0.145 119.693 119.914 -0.126 0.000 2.252 412 V HA -0.314 3.802 4.120 -0.006 0.000 0.249 412 V C 2.573 178.621 176.094 -0.076 0.000 1.056 412 V CA 1.953 64.188 62.300 -0.108 0.000 1.022 412 V CB -0.967 30.790 31.823 -0.110 0.000 0.641 412 V HN 0.597 nan 8.190 nan 0.000 0.445 413 L N 0.482 121.671 121.223 -0.056 0.000 2.013 413 L HA -0.238 4.098 4.340 -0.006 0.000 0.212 413 L C 2.331 179.185 176.870 -0.027 0.000 1.073 413 L CA 2.115 56.943 54.840 -0.021 0.000 0.753 413 L CB -0.902 41.165 42.059 0.013 0.000 0.890 413 L HN 0.412 nan 8.230 nan 0.000 0.432 414 E N -1.204 118.969 120.200 -0.046 0.000 2.204 414 E HA -0.182 4.164 4.350 -0.006 0.000 0.194 414 E C 2.075 178.644 176.600 -0.052 0.000 0.989 414 E CA 1.374 57.745 56.400 -0.048 0.000 0.824 414 E CB -0.102 29.562 29.700 -0.058 0.000 0.756 414 E HN 0.598 nan 8.360 nan 0.000 0.477 415 M N -0.609 118.950 119.600 -0.067 0.000 2.516 415 M HA -0.020 4.456 4.480 -0.006 0.000 0.259 415 M C 2.124 178.393 176.300 -0.051 0.000 1.146 415 M CA 0.991 56.248 55.300 -0.072 0.000 1.122 415 M CB 0.488 33.022 32.600 -0.110 0.000 1.341 415 M HN 0.108 nan 8.290 nan 0.000 0.478 416 T N -4.818 109.712 114.554 -0.039 0.000 3.000 416 T HA 0.062 4.408 4.350 -0.006 0.000 0.248 416 T C 0.608 175.302 174.700 -0.011 0.000 1.034 416 T CA 0.155 62.241 62.100 -0.023 0.000 1.060 416 T CB 0.186 69.040 68.868 -0.024 0.000 0.983 416 T HN 0.241 nan 8.240 nan 0.000 0.482 417 D N 1.838 122.233 120.400 -0.007 0.000 2.699 417 D HA -0.146 4.490 4.640 -0.006 0.000 0.239 417 D C -0.769 175.544 176.300 0.022 0.000 1.136 417 D CA 0.318 54.323 54.000 0.010 0.000 0.668 417 D CB -1.934 38.868 40.800 0.005 0.000 1.060 417 D HN 0.612 nan 8.370 nan 0.000 0.429 418 N N 0.801 119.513 118.700 0.019 0.000 2.806 418 N HA 0.009 4.746 4.740 -0.006 0.000 0.315 418 N C 0.746 176.262 175.510 0.009 0.000 1.738 418 N CA -0.405 52.648 53.050 0.005 0.000 0.993 418 N CB 0.211 38.679 38.487 -0.030 0.000 1.324 418 N HN 0.251 nan 8.380 nan 0.000 0.493 419 Y N 2.500 122.765 120.300 -0.059 0.000 2.241 419 Y HA -0.279 4.267 4.550 -0.006 0.000 0.286 419 Y C 2.066 177.921 175.900 -0.075 0.000 1.166 419 Y CA 1.955 60.016 58.100 -0.064 0.000 1.203 419 Y CB 0.193 38.624 38.460 -0.048 0.000 0.977 419 Y HN 0.313 nan 8.280 nan 0.000 0.529 420 Q N -0.004 119.677 119.800 -0.200 0.000 2.515 420 Q HA -0.108 4.228 4.340 -0.006 0.000 0.215 420 Q C 1.150 176.966 176.000 -0.306 0.000 0.983 420 Q CA 1.678 57.322 55.803 -0.266 0.000 0.905 420 Q CB -0.769 27.896 28.738 -0.122 0.000 0.961 420 Q HN 0.561 nan 8.270 nan 0.000 0.503 421 L N -0.365 120.680 121.223 -0.297 0.000 2.741 421 L HA 0.220 4.556 4.340 -0.006 0.000 0.237 421 L C 1.101 177.755 176.870 -0.361 0.000 1.178 421 L CA -0.336 54.309 54.840 -0.325 0.000 0.973 421 L CB 0.043 41.941 42.059 -0.269 0.000 1.255 421 L HN 0.182 nan 8.230 nan 0.000 0.498 422 I N 0.189 120.505 120.570 -0.424 0.000 2.226 422 I HA -0.279 3.887 4.170 -0.006 0.000 0.245 422 I C 2.072 178.019 176.117 -0.283 0.000 1.100 422 I CA 1.686 62.780 61.300 -0.344 0.000 1.374 422 I CB 0.092 37.822 38.000 -0.451 0.000 1.057 422 I HN 0.181 nan 8.210 nan 0.000 0.413 423 L N 0.780 121.818 121.223 -0.309 0.000 1.994 423 L HA -0.098 4.238 4.340 -0.006 0.000 0.208 423 L C -0.394 176.282 176.870 -0.323 0.000 1.071 423 L CA 2.296 56.983 54.840 -0.255 0.000 0.745 423 L CB -2.008 39.922 42.059 -0.214 0.000 0.892 423 L HN 0.161 nan 8.230 nan 0.000 0.431 424 P HA -0.185 nan 4.420 nan 0.000 0.216 424 P C 2.010 178.991 177.300 -0.532 0.000 1.150 424 P CA 1.609 64.192 63.100 -0.861 0.000 0.843 424 P CB -0.066 30.636 31.700 -1.664 0.000 0.787 425 M N -1.799 117.558 119.600 -0.406 0.000 2.086 425 M HA -0.138 4.338 4.480 -0.006 0.000 0.261 425 M C 2.138 178.318 176.300 -0.200 0.000 1.067 425 M CA 1.822 56.960 55.300 -0.270 0.000 1.116 425 M CB -0.790 31.680 32.600 -0.217 0.000 1.348 425 M HN -0.088 nan 8.290 nan 0.000 0.407 426 I N 0.336 120.802 120.570 -0.174 0.000 2.113 426 I HA -0.316 3.850 4.170 -0.006 0.000 0.238 426 I C 2.273 178.327 176.117 -0.106 0.000 1.070 426 I CA 1.454 62.682 61.300 -0.119 0.000 1.332 426 I CB -0.359 37.585 38.000 -0.093 0.000 1.044 426 I HN 0.221 nan 8.210 nan 0.000 0.402 427 I N 0.389 120.893 120.570 -0.110 0.000 2.151 427 I HA -0.335 3.832 4.170 -0.006 0.000 0.243 427 I C 2.556 178.647 176.117 -0.042 0.000 1.080 427 I CA 1.857 63.123 61.300 -0.058 0.000 1.339 427 I CB -0.791 37.188 38.000 -0.034 0.000 1.039 427 I HN 0.297 nan 8.210 nan 0.000 0.409 428 T N 0.434 114.947 114.554 -0.068 0.000 2.684 428 T HA -0.147 4.199 4.350 -0.006 0.000 0.267 428 T C 1.952 176.590 174.700 -0.104 0.000 1.036 428 T CA 1.544 63.608 62.100 -0.060 0.000 1.148 428 T CB -0.928 67.889 68.868 -0.085 0.000 0.863 428 T HN 0.599 nan 8.240 nan 0.000 0.436 429 G N 1.375 110.091 108.800 -0.140 0.000 2.421 429 G HA2 -0.146 3.810 3.960 -0.006 0.000 0.216 429 G HA3 -0.146 3.810 3.960 -0.006 0.000 0.216 429 G C 1.528 176.370 174.900 -0.096 0.000 1.171 429 G CA 0.801 45.811 45.100 -0.149 0.000 0.775 429 G HN 0.412 nan 8.290 nan 0.000 0.543 430 L N 1.599 122.782 121.223 -0.067 0.000 2.046 430 L HA 0.165 4.502 4.340 -0.006 0.000 0.208 430 L C 2.806 179.662 176.870 -0.023 0.000 1.077 430 L CA 2.243 57.058 54.840 -0.041 0.000 0.747 430 L CB -0.969 41.075 42.059 -0.025 0.000 0.896 430 L HN 0.169 nan 8.230 nan 0.000 0.432 431 G N -1.004 107.792 108.800 -0.008 0.000 2.440 431 G HA2 -0.290 3.666 3.960 -0.006 0.000 0.218 431 G HA3 -0.290 3.666 3.960 -0.006 0.000 0.218 431 G C 1.599 176.513 174.900 0.024 0.000 1.154 431 G CA 0.878 45.992 45.100 0.024 0.000 0.767 431 G HN 0.637 nan 8.290 nan 0.000 0.552 432 A N 0.500 123.320 122.820 0.000 0.000 1.877 432 A HA -0.010 4.306 4.320 -0.006 0.000 0.216 432 A C 2.573 180.146 177.584 -0.018 0.000 1.186 432 A CA 2.502 54.548 52.037 0.016 0.000 0.620 432 A CB -0.948 18.031 19.000 -0.035 0.000 0.822 432 A HN 0.329 nan 8.150 nan 0.000 0.443 433 T N 0.450 114.971 114.554 -0.055 0.000 2.821 433 T HA -0.037 4.309 4.350 -0.006 0.000 0.267 433 T C 1.817 176.434 174.700 -0.139 0.000 1.046 433 T CA 1.287 63.336 62.100 -0.085 0.000 1.139 433 T CB -0.365 68.454 68.868 -0.082 0.000 0.871 433 T HN 0.332 nan 8.240 nan 0.000 0.454 434 L N 0.339 121.488 121.223 -0.123 0.000 1.988 434 L HA -0.016 4.320 4.340 -0.006 0.000 0.207 434 L C 2.520 179.246 176.870 -0.239 0.000 1.071 434 L CA 0.945 55.654 54.840 -0.219 0.000 0.744 434 L CB -0.539 41.517 42.059 -0.006 0.000 0.893 434 L HN 0.209 nan 8.230 nan 0.000 0.433 435 L N -0.288 120.931 121.223 -0.006 0.000 2.291 435 L HA -0.095 4.241 4.340 -0.006 0.000 0.214 435 L C 2.731 179.616 176.870 0.025 0.000 1.120 435 L CA 1.473 56.365 54.840 0.086 0.000 0.799 435 L CB -1.408 40.722 42.059 0.117 0.000 0.925 435 L HN 0.231 nan 8.230 nan 0.000 0.446 436 A N -0.898 121.901 122.820 -0.035 0.000 1.930 436 A HA -0.231 4.085 4.320 -0.006 0.000 0.217 436 A C 2.278 179.815 177.584 -0.079 0.000 1.175 436 A CA 1.347 53.359 52.037 -0.041 0.000 0.627 436 A CB -0.327 18.645 19.000 -0.047 0.000 0.815 436 A HN 0.456 nan 8.150 nan 0.000 0.443 437 Q N -1.418 118.265 119.800 -0.195 0.000 2.049 437 Q HA -0.102 4.235 4.340 -0.006 0.000 0.198 437 Q C 1.228 177.146 176.000 -0.136 0.000 0.971 437 Q CA 1.307 56.959 55.803 -0.252 0.000 0.833 437 Q CB -0.125 28.319 28.738 -0.491 0.000 0.896 437 Q HN 0.614 nan 8.270 nan 0.000 0.434 438 F N 0.286 120.250 119.950 0.024 0.000 2.771 438 F HA 0.001 4.524 4.527 -0.007 0.000 0.299 438 F C 1.757 177.571 175.800 0.024 0.000 1.177 438 F CA 1.092 59.106 58.000 0.024 0.000 1.450 438 F CB -0.138 38.877 39.000 0.025 0.000 1.114 438 F HN 0.118 nan 8.300 nan 0.000 0.587 439 T N -3.869 110.779 114.554 0.157 0.000 3.215 439 T HA 0.464 4.811 4.350 -0.006 0.000 0.271 439 T C 1.400 176.140 174.700 0.066 0.000 1.012 439 T CA 0.148 62.310 62.100 0.104 0.000 0.899 439 T CB 0.004 68.921 68.868 0.082 0.000 1.089 439 T HN 0.348 nan 8.240 nan 0.000 0.552 440 G N 0.549 109.387 108.800 0.064 0.000 2.198 440 G HA2 -0.058 3.898 3.960 -0.006 0.000 0.260 440 G HA3 -0.058 3.898 3.960 -0.006 0.000 0.260 440 G C 0.419 175.333 174.900 0.024 0.000 1.025 440 G CA -0.260 44.868 45.100 0.046 0.000 0.769 440 G HN 1.054 nan 8.290 nan 0.000 0.507 441 G N -0.870 107.934 108.800 0.006 0.000 2.504 441 G HA2 0.627 4.583 3.960 -0.006 0.000 0.288 441 G HA3 0.627 4.583 3.960 -0.006 0.000 0.288 441 G C -0.161 174.734 174.900 -0.008 0.000 1.182 441 G CA -0.516 44.578 45.100 -0.009 0.000 0.894 441 G HN 0.437 nan 8.290 nan 0.000 0.521 442 K N 0.867 121.263 120.400 -0.007 0.000 2.422 442 K HA 0.337 4.653 4.320 -0.006 0.000 0.251 442 K C -2.759 173.838 176.600 -0.005 0.000 0.933 442 K CA -1.715 54.574 56.287 0.003 0.000 0.798 442 K CB 2.780 35.293 32.500 0.022 0.000 1.238 442 K HN 0.169 nan 8.250 nan 0.000 0.428 443 P HA -0.076 nan 4.420 nan 0.000 0.258 443 P C 0.510 177.814 177.300 0.006 0.000 1.187 443 P CA 0.191 63.286 63.100 -0.008 0.000 0.767 443 P CB 0.349 32.057 31.700 0.014 0.000 0.770 444 L N 4.024 125.218 121.223 -0.047 0.000 2.127 444 L HA -0.215 4.121 4.340 -0.006 0.000 0.211 444 L C 1.638 178.569 176.870 0.100 0.000 1.089 444 L CA 1.556 56.382 54.840 -0.024 0.000 0.757 444 L CB -0.472 41.523 42.059 -0.107 0.000 0.899 444 L HN 0.351 nan 8.230 nan 0.000 0.434 445 Y N -0.871 119.484 120.300 0.093 0.000 2.293 445 Y HA -0.198 4.348 4.550 -0.006 0.000 0.291 445 Y C 2.715 178.652 175.900 0.062 0.000 1.137 445 Y CA 0.714 58.878 58.100 0.107 0.000 1.202 445 Y CB 0.011 38.553 38.460 0.138 0.000 0.990 445 Y HN 0.260 nan 8.280 nan 0.000 0.537 446 S N -0.182 115.629 115.700 0.186 0.000 2.395 446 S HA -0.118 4.349 4.470 -0.006 0.000 0.225 446 S C 2.204 176.851 174.600 0.079 0.000 1.027 446 S CA 0.806 59.058 58.200 0.087 0.000 0.965 446 S CB -0.298 62.922 63.200 0.033 0.000 0.812 446 S HN 0.486 nan 8.310 nan 0.000 0.482 447 A N 1.186 124.058 122.820 0.086 0.000 1.968 447 A HA 0.081 4.397 4.320 -0.006 0.000 0.217 447 A C 1.977 179.612 177.584 0.085 0.000 1.169 447 A CA 0.865 52.946 52.037 0.073 0.000 0.638 447 A CB -0.552 18.484 19.000 0.060 0.000 0.812 447 A HN 0.478 nan 8.150 nan 0.000 0.446 448 I N -0.902 119.743 120.570 0.125 0.000 2.439 448 I HA -0.165 4.001 4.170 -0.006 0.000 0.251 448 I C 2.328 178.499 176.117 0.091 0.000 1.139 448 I CA 0.729 62.107 61.300 0.129 0.000 1.438 448 I CB -0.099 38.029 38.000 0.212 0.000 1.085 448 I HN 0.379 nan 8.210 nan 0.000 0.427 449 L N 1.094 122.368 121.223 0.086 0.000 2.072 449 L HA -0.050 4.286 4.340 -0.006 0.000 0.205 449 L C 2.526 179.419 176.870 0.038 0.000 1.079 449 L CA 1.996 56.865 54.840 0.050 0.000 0.752 449 L CB -0.690 41.390 42.059 0.035 0.000 0.906 449 L HN 0.153 nan 8.230 nan 0.000 0.436 450 A N -0.302 122.544 122.820 0.043 0.000 1.972 450 A HA -0.226 4.090 4.320 -0.006 0.000 0.219 450 A C 2.538 180.144 177.584 0.036 0.000 1.169 450 A CA 1.688 53.748 52.037 0.039 0.000 0.635 450 A CB -0.653 18.373 19.000 0.045 0.000 0.810 450 A HN 0.536 nan 8.150 nan 0.000 0.446 451 R N -0.794 119.729 120.500 0.038 0.000 2.090 451 R HA -0.088 4.248 4.340 -0.006 0.000 0.228 451 R C 1.916 178.228 176.300 0.020 0.000 1.110 451 R CA 1.881 57.999 56.100 0.029 0.000 0.973 451 R CB -0.529 29.790 30.300 0.031 0.000 0.869 451 R HN 0.430 nan 8.270 nan 0.000 0.440 452 T N 1.439 116.007 114.554 0.023 0.000 2.777 452 T HA -0.076 4.270 4.350 -0.006 0.000 0.266 452 T C 1.573 176.282 174.700 0.015 0.000 1.040 452 T CA 0.864 62.974 62.100 0.015 0.000 1.141 452 T CB -0.053 68.825 68.868 0.016 0.000 0.868 452 T HN 0.064 nan 8.240 nan 0.000 0.444 453 L N 0.940 122.174 121.223 0.019 0.000 2.156 453 L HA 0.226 4.562 4.340 -0.006 0.000 0.208 453 L C 2.657 179.539 176.870 0.021 0.000 1.095 453 L CA 1.063 55.915 54.840 0.020 0.000 0.770 453 L CB -1.110 40.963 42.059 0.022 0.000 0.914 453 L HN 0.225 nan 8.230 nan 0.000 0.439 454 A N -1.155 121.679 122.820 0.022 0.000 1.968 454 A HA -0.153 4.163 4.320 -0.006 0.000 0.217 454 A C 2.304 179.898 177.584 0.017 0.000 1.169 454 A CA 1.194 53.244 52.037 0.022 0.000 0.638 454 A CB -0.273 18.741 19.000 0.023 0.000 0.812 454 A HN 0.315 nan 8.150 nan 0.000 0.446 455 K N -0.715 119.693 120.400 0.014 0.000 2.366 455 K HA -0.033 4.284 4.320 -0.006 0.000 0.198 455 K C 2.143 178.751 176.600 0.014 0.000 1.044 455 K CA 0.898 57.191 56.287 0.010 0.000 0.973 455 K CB 0.002 32.502 32.500 0.000 0.000 0.767 455 K HN 0.621 nan 8.250 nan 0.000 0.475 456 Q N 0.845 120.654 119.800 0.015 0.000 2.172 456 Q HA -0.109 4.227 4.340 -0.006 0.000 0.200 456 Q C 0.984 176.995 176.000 0.018 0.000 0.964 456 Q CA 1.196 57.008 55.803 0.016 0.000 0.855 456 Q CB 0.368 29.115 28.738 0.016 0.000 0.918 456 Q HN 0.283 nan 8.270 nan 0.000 0.444 457 E N -1.116 119.095 120.200 0.018 0.000 2.474 457 E HA 0.083 4.429 4.350 -0.006 0.000 0.195 457 E C 0.749 177.360 176.600 0.018 0.000 1.039 457 E CA 0.180 56.591 56.400 0.019 0.000 0.881 457 E CB 0.563 30.275 29.700 0.020 0.000 0.970 457 E HN 0.288 nan 8.360 nan 0.000 0.486 458 A N 1.574 124.405 122.820 0.018 0.000 2.251 458 A HA -0.041 4.275 4.320 -0.006 0.000 0.209 458 A C 1.099 178.694 177.584 0.018 0.000 1.187 458 A CA 0.146 52.193 52.037 0.017 0.000 0.823 458 A CB -0.179 18.831 19.000 0.016 0.000 0.846 458 A HN 0.236 nan 8.150 nan 0.000 0.486 459 E N -0.517 119.695 120.200 0.019 0.000 3.105 459 E HA 0.233 4.580 4.350 -0.006 0.000 0.198 459 E C -0.504 176.107 176.600 0.018 0.000 0.976 459 E CA -0.589 55.822 56.400 0.020 0.000 1.219 459 E CB 0.168 29.882 29.700 0.023 0.000 1.081 459 E HN 0.320 nan 8.360 nan 0.000 0.464 460 Q N 0.000 119.810 119.800 0.017 0.000 2.315 460 Q HA 0.000 4.336 4.340 -0.006 0.000 0.214 460 Q CA 0.000 55.812 55.803 0.016 0.000 1.022 460 Q CB 0.000 28.748 28.738 0.016 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481