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 3det_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 RAGPTVQIGG NIGRMVLDIF DATA SEQUENCE RLKGDEARHT LLATGAAAGL AAAFNAPLAG ILFIIEEMRP QFRYTLISIK DATA SEQUENCE AVFIGVIMST IMYRIFNHEV ALIDVGKLSD APLNTLWLYL ILGIIFGIFG DATA SEQUENCE PIFNKWVLGM QDLLHRVHGG NITKWVLMGG AIGGLCGLLG FVAPATSGGG DATA SEQUENCE FNLIPIATAG NFSMGMLVFI FVARVITTLL CFSSGAPGGI FAPMLALGTV DATA SEQUENCE LGTAFGMVAV ELFPQYHLEA GTFAIAGMGA LLAASIRAPL TGIILVLEMT DATA SEQUENCE DNYQLILPMI ITGLGATLLA QFTGGKPLAS AILARTLAKQ EAEQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.292 176.300 -0.014 0.000 0.893 17 R CA 0.000 56.091 56.100 -0.014 0.000 0.921 17 R CB 0.000 30.291 30.300 -0.015 0.000 0.687 18 R N 1.931 122.424 120.500 -0.011 0.000 2.174 18 R HA -0.121 4.212 4.340 -0.012 0.000 0.253 18 R C 1.959 178.253 176.300 -0.010 0.000 1.165 18 R CA 2.345 58.438 56.100 -0.010 0.000 0.984 18 R CB -0.211 30.085 30.300 -0.008 0.000 0.873 18 R HN 0.364 nan 8.270 nan 0.000 0.456 19 R N 0.054 120.548 120.500 -0.010 0.000 2.119 19 R HA -0.082 4.250 4.340 -0.012 0.000 0.222 19 R C 2.321 178.614 176.300 -0.012 0.000 1.088 19 R CA 1.280 57.374 56.100 -0.010 0.000 0.984 19 R CB -0.073 30.222 30.300 -0.008 0.000 0.884 19 R HN 0.336 nan 8.270 nan 0.000 0.447 20 Q N 0.299 120.090 119.800 -0.015 0.000 2.049 20 Q HA -0.158 4.175 4.340 -0.012 0.000 0.198 20 Q C 2.050 178.038 176.000 -0.020 0.000 0.971 20 Q CA 1.189 56.981 55.803 -0.018 0.000 0.833 20 Q CB -0.013 28.711 28.738 -0.024 0.000 0.896 20 Q HN 0.281 nan 8.270 nan 0.000 0.434 21 L N 1.186 122.397 121.223 -0.020 0.000 1.963 21 L HA -0.274 4.058 4.340 -0.012 0.000 0.220 21 L C 2.163 179.025 176.870 -0.014 0.000 1.076 21 L CA 1.944 56.773 54.840 -0.019 0.000 0.772 21 L CB -0.619 41.430 42.059 -0.016 0.000 0.892 21 L HN 0.329 nan 8.230 nan 0.000 0.435 22 I N -1.149 119.415 120.570 -0.011 0.000 2.315 22 I HA -0.326 3.837 4.170 -0.012 0.000 0.251 22 I C 2.601 178.714 176.117 -0.008 0.000 1.125 22 I CA 1.314 62.609 61.300 -0.008 0.000 1.392 22 I CB -0.551 37.444 38.000 -0.007 0.000 1.065 22 I HN 0.343 nan 8.210 nan 0.000 0.424 23 R N 1.551 122.045 120.500 -0.010 0.000 2.070 23 R HA -0.180 4.152 4.340 -0.012 0.000 0.233 23 R C 2.174 178.469 176.300 -0.008 0.000 1.137 23 R CA 1.868 57.963 56.100 -0.009 0.000 0.945 23 R CB -0.659 29.635 30.300 -0.010 0.000 0.845 23 R HN 0.389 nan 8.270 nan 0.000 0.430 24 Q N -0.012 119.781 119.800 -0.011 0.000 1.990 24 Q HA -0.102 4.230 4.340 -0.012 0.000 0.200 24 Q C 2.251 178.248 176.000 -0.004 0.000 0.980 24 Q CA 1.761 57.558 55.803 -0.010 0.000 0.832 24 Q CB -0.250 28.475 28.738 -0.021 0.000 0.897 24 Q HN 0.322 nan 8.270 nan 0.000 0.427 25 L N 0.553 121.772 121.223 -0.005 0.000 2.011 25 L HA -0.302 4.031 4.340 -0.012 0.000 0.225 25 L C 2.441 179.310 176.870 -0.002 0.000 1.084 25 L CA 1.520 56.358 54.840 -0.003 0.000 0.791 25 L CB -0.797 41.259 42.059 -0.004 0.000 0.898 25 L HN 0.326 nan 8.230 nan 0.000 0.440 26 L N -0.710 120.511 121.223 -0.004 0.000 2.261 26 L HA -0.185 4.148 4.340 -0.012 0.000 0.216 26 L C 2.192 179.060 176.870 -0.003 0.000 1.114 26 L CA 0.789 55.627 54.840 -0.004 0.000 0.777 26 L CB -0.342 41.714 42.059 -0.004 0.000 0.910 26 L HN 0.278 nan 8.230 nan 0.000 0.440 27 E N -0.405 119.795 120.200 -0.001 0.000 2.474 27 E HA 0.061 4.404 4.350 -0.012 0.000 0.195 27 E C 0.641 177.244 176.600 0.005 0.000 1.039 27 E CA -0.036 56.365 56.400 0.001 0.000 0.881 27 E CB 0.123 29.824 29.700 0.002 0.000 0.970 27 E HN 0.326 nan 8.360 nan 0.000 0.486 28 R N 1.598 122.101 120.500 0.005 0.000 2.734 28 R HA -0.055 4.278 4.340 -0.012 0.000 0.266 28 R C -0.154 176.147 176.300 0.002 0.000 1.044 28 R CA 0.384 56.490 56.100 0.009 0.000 1.128 28 R CB 0.258 30.562 30.300 0.007 0.000 1.010 28 R HN -0.157 nan 8.270 nan 0.000 0.461 29 D N 1.673 122.075 120.400 0.003 0.000 2.760 29 D HA -0.154 4.479 4.640 -0.012 0.000 0.244 29 D C -1.545 174.751 176.300 -0.006 0.000 1.123 29 D CA 1.175 55.170 54.000 -0.008 0.000 0.719 29 D CB -0.586 40.202 40.800 -0.020 0.000 1.045 29 D HN 0.536 nan 8.370 nan 0.000 0.426 30 K N 0.924 121.325 120.400 0.001 0.000 2.572 30 K HA 0.434 4.747 4.320 -0.012 0.000 0.244 30 K C -0.603 176.000 176.600 0.004 0.000 0.965 30 K CA -0.708 55.579 56.287 0.001 0.000 0.943 30 K CB 1.665 34.166 32.500 0.002 0.000 1.154 30 K HN -0.005 nan 8.250 nan 0.000 0.447 31 T N 3.533 118.088 114.554 0.002 0.000 2.795 31 T HA 0.302 4.644 4.350 -0.012 0.000 0.282 31 T C -2.298 172.406 174.700 0.006 0.000 0.980 31 T CA -1.790 60.313 62.100 0.006 0.000 1.012 31 T CB 0.815 69.686 68.868 0.005 0.000 0.936 31 T HN 0.279 nan 8.240 nan 0.000 0.457 32 P HA 0.046 nan 4.420 nan 0.000 0.262 32 P C 1.109 178.413 177.300 0.007 0.000 1.182 32 P CA -0.254 62.848 63.100 0.004 0.000 0.761 32 P CB 0.481 32.183 31.700 0.004 0.000 0.795 33 L N 2.891 124.115 121.223 0.002 0.000 2.211 33 L HA -0.309 4.023 4.340 -0.012 0.000 0.216 33 L C 1.889 178.770 176.870 0.018 0.000 1.092 33 L CA 2.209 57.052 54.840 0.004 0.000 0.767 33 L CB -0.394 41.654 42.059 -0.018 0.000 0.894 33 L HN 0.438 nan 8.230 nan 0.000 0.437 34 A N -0.039 122.787 122.820 0.010 0.000 1.874 34 A HA -0.083 4.230 4.320 -0.012 0.000 0.214 34 A C 2.118 179.729 177.584 0.045 0.000 1.189 34 A CA 1.362 53.412 52.037 0.022 0.000 0.615 34 A CB -0.612 18.389 19.000 0.002 0.000 0.830 34 A HN 0.462 nan 8.150 nan 0.000 0.443 35 I N 0.148 120.732 120.570 0.022 0.000 2.248 35 I HA -0.303 3.860 4.170 -0.012 0.000 0.248 35 I C 2.360 178.487 176.117 0.017 0.000 1.107 35 I CA 1.229 62.536 61.300 0.011 0.000 1.373 35 I CB -0.365 37.639 38.000 0.007 0.000 1.055 35 I HN 0.336 nan 8.210 nan 0.000 0.418 36 L N -0.406 120.840 121.223 0.039 0.000 1.976 36 L HA -0.242 4.091 4.340 -0.012 0.000 0.209 36 L C 2.614 179.515 176.870 0.052 0.000 1.071 36 L CA 1.515 56.382 54.840 0.044 0.000 0.746 36 L CB -0.838 41.255 42.059 0.057 0.000 0.890 36 L HN 0.174 nan 8.230 nan 0.000 0.432 37 F N 0.135 120.046 119.950 -0.065 0.000 2.250 37 F HA -0.227 4.293 4.527 -0.012 0.000 0.301 37 F C 2.435 178.159 175.800 -0.126 0.000 1.077 37 F CA 1.310 59.258 58.000 -0.086 0.000 1.348 37 F CB 0.012 38.956 39.000 -0.092 0.000 1.040 37 F HN 0.017 nan 8.300 nan 0.000 0.509 38 M N -0.410 119.136 119.600 -0.090 0.000 2.506 38 M HA 0.100 4.573 4.480 -0.012 0.000 0.260 38 M C 2.318 178.493 176.300 -0.208 0.000 1.104 38 M CA 1.049 56.213 55.300 -0.226 0.000 1.112 38 M CB -1.484 31.024 32.600 -0.152 0.000 1.401 38 M HN 0.290 nan 8.290 nan 0.000 0.473 39 A N -0.022 122.714 122.820 -0.140 0.000 1.970 39 A HA 0.186 4.498 4.320 -0.012 0.000 0.216 39 A C 2.381 179.875 177.584 -0.151 0.000 1.170 39 A CA 1.408 53.379 52.037 -0.110 0.000 0.645 39 A CB -0.540 18.428 19.000 -0.052 0.000 0.816 39 A HN 0.404 nan 8.150 nan 0.000 0.447 40 A N -0.425 122.268 122.820 -0.213 0.000 1.858 40 A HA -0.061 4.251 4.320 -0.012 0.000 0.216 40 A C 2.308 179.715 177.584 -0.296 0.000 1.190 40 A CA 1.813 53.699 52.037 -0.252 0.000 0.617 40 A CB -1.220 17.585 19.000 -0.325 0.000 0.827 40 A HN 0.825 nan 8.150 nan 0.000 0.443 41 V N -0.199 119.461 119.914 -0.424 0.000 2.332 41 V HA -0.211 3.901 4.120 -0.012 0.000 0.248 41 V C 2.407 178.379 176.094 -0.204 0.000 1.055 41 V CA 2.447 64.548 62.300 -0.332 0.000 1.038 41 V CB -0.503 31.090 31.823 -0.383 0.000 0.651 41 V HN 0.324 nan 8.190 nan 0.000 0.450 42 V N 1.017 120.820 119.914 -0.184 0.000 2.231 42 V HA -0.227 3.886 4.120 -0.012 0.000 0.248 42 V C 2.763 178.786 176.094 -0.118 0.000 1.054 42 V CA 2.460 64.680 62.300 -0.133 0.000 1.015 42 V CB -1.673 30.082 31.823 -0.113 0.000 0.638 42 V HN 0.657 nan 8.190 nan 0.000 0.444 43 G N -0.812 107.918 108.800 -0.117 0.000 2.513 43 G HA2 -0.323 3.630 3.960 -0.012 0.000 0.219 43 G HA3 -0.323 3.630 3.960 -0.012 0.000 0.219 43 G C 1.681 176.527 174.900 -0.091 0.000 1.160 43 G CA 1.843 46.884 45.100 -0.099 0.000 0.767 43 G HN 0.484 nan 8.290 nan 0.000 0.571 44 T N 1.320 115.812 114.554 -0.102 0.000 2.674 44 T HA -0.041 4.302 4.350 -0.012 0.000 0.265 44 T C 2.466 177.121 174.700 -0.074 0.000 1.039 44 T CA 1.227 63.279 62.100 -0.081 0.000 1.150 44 T CB -0.253 68.559 68.868 -0.093 0.000 0.864 44 T HN 0.194 nan 8.240 nan 0.000 0.427 45 L N 0.788 121.958 121.223 -0.089 0.000 2.056 45 L HA -0.064 4.269 4.340 -0.012 0.000 0.207 45 L C 2.700 179.515 176.870 -0.092 0.000 1.078 45 L CA 0.811 55.597 54.840 -0.090 0.000 0.749 45 L CB -0.988 41.012 42.059 -0.098 0.000 0.901 45 L HN 0.122 nan 8.230 nan 0.000 0.433 46 V N 0.806 120.664 119.914 -0.094 0.000 2.282 46 V HA -0.266 3.847 4.120 -0.012 0.000 0.249 46 V C 2.688 178.735 176.094 -0.077 0.000 1.057 46 V CA 2.187 64.430 62.300 -0.094 0.000 1.032 46 V CB -1.405 30.359 31.823 -0.099 0.000 0.645 46 V HN 0.589 nan 8.190 nan 0.000 0.447 47 G N -0.248 108.516 108.800 -0.060 0.000 2.421 47 G HA2 -0.208 3.745 3.960 -0.012 0.000 0.216 47 G HA3 -0.208 3.745 3.960 -0.012 0.000 0.216 47 G C 1.559 176.436 174.900 -0.039 0.000 1.171 47 G CA 1.054 46.138 45.100 -0.026 0.000 0.775 47 G HN 0.477 nan 8.290 nan 0.000 0.543 48 L N 0.739 121.918 121.223 -0.072 0.000 2.083 48 L HA -0.060 4.273 4.340 -0.012 0.000 0.209 48 L C 3.424 180.231 176.870 -0.105 0.000 1.083 48 L CA 0.983 55.743 54.840 -0.133 0.000 0.752 48 L CB -0.529 41.462 42.059 -0.114 0.000 0.899 48 L HN 0.306 nan 8.230 nan 0.000 0.433 49 A N 0.354 123.131 122.820 -0.071 0.000 1.883 49 A HA -0.201 4.112 4.320 -0.012 0.000 0.217 49 A C 2.566 180.202 177.584 0.087 0.000 1.186 49 A CA 1.914 53.936 52.037 -0.025 0.000 0.624 49 A CB -0.772 18.182 19.000 -0.077 0.000 0.822 49 A HN 0.400 nan 8.150 nan 0.000 0.444 50 A N -0.849 121.984 122.820 0.022 0.000 1.933 50 A HA 0.013 4.326 4.320 -0.012 0.000 0.218 50 A C 2.226 179.893 177.584 0.139 0.000 1.175 50 A CA 1.799 53.865 52.037 0.049 0.000 0.628 50 A CB -0.801 18.192 19.000 -0.013 0.000 0.814 50 A HN 0.392 nan 8.150 nan 0.000 0.444 51 V N -0.433 119.511 119.914 0.051 0.000 2.453 51 V HA -0.162 3.951 4.120 -0.012 0.000 0.247 51 V C 3.013 179.100 176.094 -0.012 0.000 1.048 51 V CA 1.660 63.949 62.300 -0.019 0.000 1.049 51 V CB -0.942 30.703 31.823 -0.296 0.000 0.672 51 V HN 0.608 nan 8.190 nan 0.000 0.457 52 A N -0.445 122.386 122.820 0.018 0.000 1.902 52 A HA -0.240 4.073 4.320 -0.012 0.000 0.217 52 A C 2.105 179.802 177.584 0.188 0.000 1.181 52 A CA 2.043 54.138 52.037 0.095 0.000 0.623 52 A CB -0.680 18.411 19.000 0.152 0.000 0.818 52 A HN 0.537 nan 8.150 nan 0.000 0.443 53 F N 0.943 120.940 119.950 0.078 0.000 2.084 53 F HA -0.157 4.362 4.527 -0.012 0.000 0.296 53 F C 1.837 177.584 175.800 -0.088 0.000 1.111 53 F CA 2.071 59.971 58.000 -0.166 0.000 1.224 53 F CB -0.356 38.558 39.000 -0.143 0.000 0.991 53 F HN 0.254 nan 8.300 nan 0.000 0.471 54 D N 0.403 120.946 120.400 0.239 0.000 2.157 54 D HA -0.214 4.419 4.640 -0.012 0.000 0.191 54 D C 2.148 178.483 176.300 0.058 0.000 1.004 54 D CA 1.529 55.633 54.000 0.173 0.000 0.854 54 D CB -0.078 40.857 40.800 0.224 0.000 0.936 54 D HN 0.190 nan 8.370 nan 0.000 0.446 55 K N -0.441 119.985 120.400 0.042 0.000 2.031 55 K HA 0.048 4.361 4.320 -0.012 0.000 0.205 55 K C 2.242 178.860 176.600 0.031 0.000 1.049 55 K CA 1.063 57.379 56.287 0.048 0.000 0.939 55 K CB -0.861 31.664 32.500 0.042 0.000 0.717 55 K HN 0.211 nan 8.250 nan 0.000 0.438 56 G N 1.390 110.156 108.800 -0.056 0.000 2.440 56 G HA2 -0.206 3.747 3.960 -0.012 0.000 0.218 56 G HA3 -0.206 3.747 3.960 -0.012 0.000 0.218 56 G C 1.712 176.562 174.900 -0.083 0.000 1.154 56 G CA 0.900 45.948 45.100 -0.085 0.000 0.767 56 G HN 0.111 nan 8.290 nan 0.000 0.552 57 V N 1.520 121.281 119.914 -0.255 0.000 2.358 57 V HA -0.113 3.999 4.120 -0.012 0.000 0.246 57 V C 3.329 179.407 176.094 -0.026 0.000 1.047 57 V CA 1.927 64.096 62.300 -0.218 0.000 1.035 57 V CB -0.872 30.742 31.823 -0.348 0.000 0.658 57 V HN 0.477 nan 8.190 nan 0.000 0.452 58 A N -0.913 121.925 122.820 0.029 0.000 1.940 58 A HA -0.303 4.010 4.320 -0.012 0.000 0.219 58 A C 1.974 179.629 177.584 0.118 0.000 1.176 58 A CA 2.145 54.231 52.037 0.083 0.000 0.631 58 A CB -0.919 18.143 19.000 0.103 0.000 0.814 58 A HN 0.767 nan 8.150 nan 0.000 0.446 59 W N 0.430 121.711 121.300 -0.032 0.000 2.388 59 W HA -0.063 4.590 4.660 -0.011 0.000 0.294 59 W C 1.753 178.257 176.519 -0.025 0.000 1.212 59 W CA 1.571 58.904 57.345 -0.020 0.000 1.271 59 W CB -0.183 29.264 29.460 -0.021 0.000 1.126 59 W HN 0.238 nan 8.180 nan 0.000 0.535 60 L N 0.325 121.635 121.223 0.145 0.000 1.994 60 L HA -0.279 4.053 4.340 -0.012 0.000 0.208 60 L C 2.610 179.409 176.870 -0.120 0.000 1.071 60 L CA 1.840 56.664 54.840 -0.027 0.000 0.745 60 L CB -1.222 40.880 42.059 0.073 0.000 0.892 60 L HN 0.022 nan 8.230 nan 0.000 0.431 61 Q N -0.395 119.376 119.800 -0.049 0.000 2.197 61 Q HA -0.248 4.085 4.340 -0.012 0.000 0.207 61 Q C 2.001 177.955 176.000 -0.078 0.000 0.984 61 Q CA 1.796 57.576 55.803 -0.039 0.000 0.869 61 Q CB -0.234 28.508 28.738 0.006 0.000 0.906 61 Q HN 0.508 nan 8.270 nan 0.000 0.426 62 N N -0.396 118.224 118.700 -0.132 0.000 2.092 62 N HA -0.181 4.552 4.740 -0.012 0.000 0.189 62 N C 1.618 176.970 175.510 -0.263 0.000 1.040 62 N CA 0.835 53.782 53.050 -0.171 0.000 0.845 62 N CB 0.185 38.559 38.487 -0.188 0.000 1.017 62 N HN 0.176 nan 8.380 nan 0.000 0.426 63 Q N 1.179 120.692 119.800 -0.478 0.000 2.045 63 Q HA -0.148 4.185 4.340 -0.012 0.000 0.206 63 Q C 2.191 178.036 176.000 -0.258 0.000 0.991 63 Q CA 1.322 56.838 55.803 -0.479 0.000 0.851 63 Q CB -0.656 27.650 28.738 -0.719 0.000 0.911 63 Q HN 0.464 nan 8.270 nan 0.000 0.418 64 R N 0.159 120.536 120.500 -0.206 0.000 2.096 64 R HA -0.146 4.187 4.340 -0.012 0.000 0.240 64 R C 2.321 178.577 176.300 -0.072 0.000 1.139 64 R CA 1.818 57.850 56.100 -0.114 0.000 0.952 64 R CB -0.478 29.776 30.300 -0.077 0.000 0.854 64 R HN 0.296 nan 8.270 nan 0.000 0.436 65 M N -0.026 119.540 119.600 -0.056 0.000 2.374 65 M HA -0.039 4.434 4.480 -0.012 0.000 0.264 65 M C 1.724 178.022 176.300 -0.002 0.000 1.067 65 M CA 1.831 57.131 55.300 0.000 0.000 1.103 65 M CB 0.170 32.780 32.600 0.018 0.000 1.402 65 M HN 0.193 nan 8.290 nan 0.000 0.444 66 G N -0.996 107.777 108.800 -0.046 0.000 2.595 66 G HA2 0.136 4.088 3.960 -0.012 0.000 0.213 66 G HA3 0.136 4.088 3.960 -0.012 0.000 0.213 66 G C 1.433 176.324 174.900 -0.015 0.000 1.141 66 G CA 0.459 45.540 45.100 -0.032 0.000 0.806 66 G HN 0.564 nan 8.290 nan 0.000 0.530 67 A N 0.937 123.732 122.820 -0.042 0.000 1.969 67 A HA 0.160 4.473 4.320 -0.012 0.000 0.218 67 A C 2.187 179.778 177.584 0.012 0.000 1.169 67 A CA 0.680 52.706 52.037 -0.018 0.000 0.635 67 A CB -0.342 18.624 19.000 -0.056 0.000 0.810 67 A HN 0.320 nan 8.150 nan 0.000 0.445 68 L N -0.371 120.839 121.223 -0.022 0.000 2.549 68 L HA -0.081 4.251 4.340 -0.012 0.000 0.229 68 L C 1.643 178.517 176.870 0.007 0.000 1.158 68 L CA 0.435 55.243 54.840 -0.052 0.000 0.842 68 L CB -0.177 41.836 42.059 -0.077 0.000 0.952 68 L HN 0.275 nan 8.230 nan 0.000 0.452 69 V N -2.223 117.717 119.914 0.043 0.000 3.455 69 V HA -0.101 4.012 4.120 -0.012 0.000 0.250 69 V C 1.994 178.123 176.094 0.058 0.000 1.230 69 V CA 0.384 62.717 62.300 0.056 0.000 1.105 69 V CB -0.076 31.782 31.823 0.058 0.000 0.850 69 V HN 0.410 nan 8.190 nan 0.000 0.461 70 H N 1.810 120.873 119.070 -0.013 0.000 2.543 70 H HA -0.088 4.461 4.556 -0.012 0.000 0.286 70 H C 1.412 176.732 175.328 -0.012 0.000 1.037 70 H CA 1.787 57.827 56.048 -0.013 0.000 1.250 70 H CB 0.214 29.962 29.762 -0.022 0.000 1.373 70 H HN 0.539 nan 8.280 nan 0.000 0.580 71 T N -3.911 110.613 114.554 -0.049 0.000 3.672 71 T HA 0.483 4.826 4.350 -0.012 0.000 0.296 71 T C 0.894 175.571 174.700 -0.038 0.000 0.979 71 T CA -0.117 61.933 62.100 -0.084 0.000 1.013 71 T CB -0.011 68.832 68.868 -0.043 0.000 1.184 71 T HN 0.285 nan 8.240 nan 0.000 0.477 72 A N 1.275 124.093 122.820 -0.004 0.000 2.337 72 A HA 0.299 4.611 4.320 -0.012 0.000 0.227 72 A C 1.666 179.294 177.584 0.073 0.000 1.259 72 A CA 0.517 52.591 52.037 0.062 0.000 0.870 72 A CB -0.221 18.830 19.000 0.084 0.000 0.927 72 A HN 0.681 nan 8.150 nan 0.000 0.497 73 D N -0.719 119.700 120.400 0.032 0.000 2.566 73 D HA -0.074 4.559 4.640 -0.012 0.000 0.253 73 D C 0.801 177.136 176.300 0.059 0.000 0.992 73 D CA 0.377 54.398 54.000 0.035 0.000 0.940 73 D CB -0.903 39.894 40.800 -0.004 0.000 1.095 73 D HN 0.367 nan 8.370 nan 0.000 0.480 74 N N -0.167 118.553 118.700 0.034 0.000 2.968 74 N HA -0.015 4.718 4.740 -0.012 0.000 0.271 74 N C 0.317 175.878 175.510 0.085 0.000 1.174 74 N CA -0.372 52.706 53.050 0.047 0.000 1.096 74 N CB -0.157 38.331 38.487 0.002 0.000 1.403 74 N HN -0.019 nan 8.380 nan 0.000 0.522 75 Y N 4.004 124.306 120.300 0.002 0.000 2.062 75 Y HA -0.234 4.310 4.550 -0.011 0.000 0.273 75 Y C -1.086 174.809 175.900 -0.009 0.000 1.206 75 Y CA 2.114 60.222 58.100 0.013 0.000 1.125 75 Y CB -0.856 37.629 38.460 0.041 0.000 0.951 75 Y HN 0.565 nan 8.280 nan 0.000 0.501 76 P HA -0.135 nan 4.420 nan 0.000 0.219 76 P C 1.770 178.994 177.300 -0.126 0.000 1.150 76 P CA 1.235 64.279 63.100 -0.093 0.000 0.814 76 P CB -0.149 31.553 31.700 0.003 0.000 0.787 77 L N -0.720 120.455 121.223 -0.078 0.000 2.191 77 L HA -0.093 4.240 4.340 -0.012 0.000 0.212 77 L C 2.040 178.836 176.870 -0.124 0.000 1.103 77 L CA 1.520 56.314 54.840 -0.077 0.000 0.769 77 L CB -1.286 40.747 42.059 -0.043 0.000 0.908 77 L HN -0.096 nan 8.230 nan 0.000 0.438 78 L N -1.592 119.518 121.223 -0.187 0.000 2.049 78 L HA -0.106 4.226 4.340 -0.012 0.000 0.203 78 L C 2.192 178.819 176.870 -0.404 0.000 1.074 78 L CA 1.078 55.744 54.840 -0.290 0.000 0.749 78 L CB -0.206 41.675 42.059 -0.297 0.000 0.907 78 L HN 0.193 nan 8.230 nan 0.000 0.439 79 L N -0.247 120.688 121.223 -0.481 0.000 2.447 79 L HA -0.165 4.168 4.340 -0.012 0.000 0.225 79 L C 2.194 178.952 176.870 -0.188 0.000 1.148 79 L CA 1.115 55.719 54.840 -0.394 0.000 0.808 79 L CB -0.991 40.807 42.059 -0.434 0.000 0.928 79 L HN 0.392 nan 8.230 nan 0.000 0.448 80 T N -0.396 114.060 114.554 -0.162 0.000 2.866 80 T HA -0.087 4.256 4.350 -0.012 0.000 0.250 80 T C 1.968 176.662 174.700 -0.009 0.000 1.033 80 T CA 1.312 63.366 62.100 -0.076 0.000 1.145 80 T CB -0.187 68.633 68.868 -0.079 0.000 0.866 80 T HN 0.308 nan 8.240 nan 0.000 0.434 81 V N 1.215 121.095 119.914 -0.056 0.000 2.490 81 V HA -0.013 4.100 4.120 -0.012 0.000 0.250 81 V C 2.624 178.692 176.094 -0.043 0.000 1.061 81 V CA 1.431 63.708 62.300 -0.038 0.000 1.064 81 V CB -1.634 30.157 31.823 -0.054 0.000 0.670 81 V HN 0.421 nan 8.190 nan 0.000 0.461 82 A N 0.495 123.258 122.820 -0.095 0.000 1.845 82 A HA -0.128 4.184 4.320 -0.012 0.000 0.215 82 A C 2.102 179.690 177.584 0.006 0.000 1.195 82 A CA 1.996 53.982 52.037 -0.085 0.000 0.616 82 A CB -0.970 17.926 19.000 -0.174 0.000 0.832 82 A HN 0.636 nan 8.150 nan 0.000 0.443 83 F N 0.728 120.630 119.950 -0.079 0.000 2.046 83 F HA -0.176 4.344 4.527 -0.013 0.000 0.297 83 F C 2.029 177.814 175.800 -0.024 0.000 1.123 83 F CA 1.930 59.908 58.000 -0.038 0.000 1.199 83 F CB -0.404 38.572 39.000 -0.041 0.000 0.972 83 F HN 0.140 nan 8.300 nan 0.000 0.474 84 L N -0.782 120.640 121.223 0.332 0.000 2.042 84 L HA -0.320 4.012 4.340 -0.012 0.000 0.210 84 L C 2.701 179.597 176.870 0.044 0.000 1.076 84 L CA 1.470 56.440 54.840 0.216 0.000 0.749 84 L CB -1.199 40.950 42.059 0.149 0.000 0.893 84 L HN 0.333 nan 8.230 nan 0.000 0.432 85 C N -0.668 118.636 119.300 0.006 0.000 2.413 85 C HA -0.174 4.278 4.460 -0.012 0.000 0.276 85 C C 3.149 178.113 174.990 -0.043 0.000 1.236 85 C CA 1.398 60.401 59.018 -0.025 0.000 1.735 85 C CB -0.692 27.025 27.740 -0.038 0.000 2.031 85 C HN 0.521 nan 8.230 nan 0.000 0.474 86 S N 0.643 116.292 115.700 -0.086 0.000 2.383 86 S HA -0.052 4.410 4.470 -0.012 0.000 0.227 86 S C 2.134 176.659 174.600 -0.124 0.000 1.026 86 S CA 1.145 59.284 58.200 -0.101 0.000 0.981 86 S CB -0.428 62.687 63.200 -0.143 0.000 0.818 86 S HN 0.711 nan 8.310 nan 0.000 0.472 87 A N 1.357 124.047 122.820 -0.216 0.000 1.877 87 A HA -0.058 4.255 4.320 -0.012 0.000 0.216 87 A C 2.329 179.905 177.584 -0.012 0.000 1.186 87 A CA 1.602 53.544 52.037 -0.159 0.000 0.620 87 A CB -0.981 17.951 19.000 -0.112 0.000 0.822 87 A HN 0.340 nan 8.150 nan 0.000 0.443 88 V N -0.088 119.835 119.914 0.015 0.000 2.407 88 V HA -0.232 3.880 4.120 -0.012 0.000 0.248 88 V C 2.527 178.677 176.094 0.093 0.000 1.055 88 V CA 1.894 64.224 62.300 0.050 0.000 1.049 88 V CB -0.690 31.149 31.823 0.027 0.000 0.662 88 V HN 0.539 nan 8.190 nan 0.000 0.455 89 L N -0.365 120.902 121.223 0.073 0.000 2.095 89 L HA -0.038 4.295 4.340 -0.012 0.000 0.204 89 L C 2.704 179.709 176.870 0.225 0.000 1.080 89 L CA 1.220 56.138 54.840 0.130 0.000 0.759 89 L CB -0.721 41.379 42.059 0.068 0.000 0.914 89 L HN 0.330 nan 8.230 nan 0.000 0.439 90 A N 0.316 123.241 122.820 0.174 0.000 1.841 90 A HA -0.271 4.042 4.320 -0.012 0.000 0.216 90 A C 2.303 180.119 177.584 0.386 0.000 1.199 90 A CA 1.973 54.178 52.037 0.281 0.000 0.621 90 A CB -0.616 18.486 19.000 0.170 0.000 0.835 90 A HN 0.291 nan 8.150 nan 0.000 0.445 91 M N -1.862 117.855 119.600 0.195 0.000 2.110 91 M HA -0.210 4.263 4.480 -0.012 0.000 0.257 91 M C 2.190 178.668 176.300 0.296 0.000 1.071 91 M CA 2.449 57.854 55.300 0.174 0.000 1.096 91 M CB -0.764 31.890 32.600 0.090 0.000 1.300 91 M HN 0.541 nan 8.290 nan 0.000 0.411 92 F N 0.980 121.024 119.950 0.157 0.000 2.184 92 F HA -0.194 4.326 4.527 -0.012 0.000 0.301 92 F C 1.993 177.949 175.800 0.260 0.000 1.076 92 F CA 1.870 59.985 58.000 0.192 0.000 1.295 92 F CB -0.564 38.508 39.000 0.120 0.000 1.026 92 F HN 0.079 nan 8.300 nan 0.000 0.494 93 G N -1.454 107.496 108.800 0.250 0.000 2.408 93 G HA2 -0.215 3.738 3.960 -0.012 0.000 0.213 93 G HA3 -0.215 3.738 3.960 -0.012 0.000 0.213 93 G C 1.293 176.172 174.900 -0.035 0.000 1.177 93 G CA 0.615 45.762 45.100 0.078 0.000 0.802 93 G HN 0.430 nan 8.290 nan 0.000 0.533 94 Y N 0.063 120.332 120.300 -0.051 0.000 2.151 94 Y HA -0.118 4.425 4.550 -0.013 0.000 0.284 94 Y C 2.367 178.165 175.900 -0.170 0.000 1.166 94 Y CA 1.463 59.468 58.100 -0.159 0.000 1.163 94 Y CB -0.676 37.714 38.460 -0.116 0.000 0.974 94 Y HN 0.250 nan 8.280 nan 0.000 0.511 95 F N -0.070 119.867 119.950 -0.021 0.000 2.026 95 F HA -0.292 4.228 4.527 -0.012 0.000 0.296 95 F C 2.145 177.879 175.800 -0.110 0.000 1.133 95 F CA 1.330 59.284 58.000 -0.077 0.000 1.188 95 F CB -0.545 38.411 39.000 -0.072 0.000 0.968 95 F HN -0.115 nan 8.300 nan 0.000 0.476 96 L N 0.337 121.327 121.223 -0.388 0.000 2.103 96 L HA -0.278 4.055 4.340 -0.012 0.000 0.215 96 L C 2.339 179.040 176.870 -0.281 0.000 1.080 96 L CA 1.648 56.243 54.840 -0.408 0.000 0.764 96 L CB -1.516 40.324 42.059 -0.366 0.000 0.890 96 L HN 0.228 nan 8.230 nan 0.000 0.435 97 V N -0.933 118.810 119.914 -0.286 0.000 2.302 97 V HA -0.144 3.968 4.120 -0.012 0.000 0.243 97 V C 2.610 178.522 176.094 -0.303 0.000 1.036 97 V CA 1.008 63.147 62.300 -0.268 0.000 1.020 97 V CB -0.476 31.159 31.823 -0.313 0.000 0.657 97 V HN 0.343 nan 8.190 nan 0.000 0.453 98 R N 0.579 120.854 120.500 -0.375 0.000 2.117 98 R HA -0.185 4.148 4.340 -0.012 0.000 0.243 98 R C 2.183 178.290 176.300 -0.322 0.000 1.143 98 R CA 1.552 57.443 56.100 -0.349 0.000 0.968 98 R CB -0.542 29.568 30.300 -0.317 0.000 0.863 98 R HN 0.401 nan 8.270 nan 0.000 0.444 99 K N -0.410 119.703 120.400 -0.478 0.000 2.067 99 K HA -0.038 4.275 4.320 -0.012 0.000 0.203 99 K C 1.186 177.417 176.600 -0.614 0.000 1.048 99 K CA 1.260 57.159 56.287 -0.646 0.000 0.954 99 K CB 0.046 31.837 32.500 -1.180 0.000 0.737 99 K HN 0.127 nan 8.250 nan 0.000 0.444 100 Y N -1.488 118.613 120.300 -0.333 0.000 2.426 100 Y HA 0.535 5.078 4.550 -0.012 0.000 0.249 100 Y C -0.365 175.424 175.900 -0.185 0.000 1.103 100 Y CA -0.216 57.756 58.100 -0.213 0.000 1.256 100 Y CB 1.188 39.540 38.460 -0.181 0.000 1.208 100 Y HN 0.040 nan 8.280 nan 0.000 0.519 101 A N -0.254 122.518 122.820 -0.081 0.000 2.517 101 A HA 0.433 4.745 4.320 -0.012 0.000 0.300 101 A C -2.568 174.926 177.584 -0.149 0.000 1.225 101 A CA -0.735 51.233 52.037 -0.114 0.000 0.883 101 A CB 0.308 19.238 19.000 -0.115 0.000 1.459 101 A HN -0.062 nan 8.150 nan 0.000 0.437 102 P HA -0.177 nan 4.420 nan 0.000 0.217 102 P C 1.293 178.515 177.300 -0.129 0.000 1.150 102 P CA 1.806 64.816 63.100 -0.150 0.000 0.832 102 P CB 0.217 31.856 31.700 -0.100 0.000 0.787 103 E N -0.135 120.000 120.200 -0.109 0.000 2.331 103 E HA -0.115 4.227 4.350 -0.012 0.000 0.199 103 E C 1.535 178.074 176.600 -0.102 0.000 1.008 103 E CA 1.099 57.443 56.400 -0.093 0.000 0.843 103 E CB -0.801 28.843 29.700 -0.095 0.000 0.761 103 E HN 0.152 nan 8.360 nan 0.000 0.507 104 A N 1.578 124.324 122.820 -0.124 0.000 2.278 104 A HA 0.290 4.603 4.320 -0.012 0.000 0.212 104 A C 1.161 178.660 177.584 -0.141 0.000 1.213 104 A CA 0.210 52.175 52.037 -0.120 0.000 0.840 104 A CB -0.168 18.762 19.000 -0.117 0.000 0.866 104 A HN 0.257 nan 8.150 nan 0.000 0.489 105 G N -1.660 107.039 108.800 -0.167 0.000 2.562 105 G HA2 0.533 4.486 3.960 -0.012 0.000 0.275 105 G HA3 0.533 4.486 3.960 -0.012 0.000 0.275 105 G C 0.823 175.621 174.900 -0.170 0.000 1.196 105 G CA 0.127 45.100 45.100 -0.211 0.000 0.908 105 G HN 1.364 nan 8.290 nan 0.000 0.524 106 G N -0.289 108.373 108.800 -0.230 0.000 2.578 106 G HA2 -0.203 3.750 3.960 -0.012 0.000 0.284 106 G HA3 -0.203 3.750 3.960 -0.012 0.000 0.284 106 G C 1.578 176.473 174.900 -0.009 0.000 1.283 106 G CA 1.163 46.091 45.100 -0.287 0.000 0.944 106 G HN 1.779 nan 8.290 nan 0.000 0.558 107 S N -0.613 115.218 115.700 0.219 0.000 2.361 107 S HA 0.244 4.707 4.470 -0.012 0.000 0.214 107 S C 2.406 177.067 174.600 0.101 0.000 1.034 107 S CA 3.450 61.832 58.200 0.304 0.000 1.025 107 S CB -0.652 62.788 63.200 0.401 0.000 0.996 107 S HN 2.875 nan 8.310 nan 0.000 0.422 108 G N -0.129 108.716 108.800 0.076 0.000 2.336 108 G HA2 -0.153 3.800 3.960 -0.012 0.000 0.194 108 G HA3 -0.153 3.800 3.960 -0.012 0.000 0.194 108 G C 0.885 175.806 174.900 0.036 0.000 0.999 108 G CA 0.260 45.371 45.100 0.017 0.000 0.669 108 G HN 0.515 nan 8.290 nan 0.000 0.482 109 I N 1.467 122.088 120.570 0.086 0.000 2.286 109 I HA -0.033 4.129 4.170 -0.012 0.000 0.245 109 I C 0.093 176.264 176.117 0.091 0.000 1.104 109 I CA 1.442 62.809 61.300 0.110 0.000 1.397 109 I CB -1.041 37.081 38.000 0.203 0.000 1.072 109 I HN 0.124 nan 8.210 nan 0.000 0.417 110 P HA -0.194 nan 4.420 nan 0.000 0.214 110 P C 1.457 178.781 177.300 0.040 0.000 1.163 110 P CA 1.421 64.569 63.100 0.079 0.000 0.883 110 P CB 0.067 31.825 31.700 0.097 0.000 0.788 111 E N -0.412 119.804 120.200 0.028 0.000 2.049 111 E HA -0.182 4.160 4.350 -0.012 0.000 0.198 111 E C 1.934 178.533 176.600 -0.002 0.000 1.007 111 E CA 1.288 57.691 56.400 0.004 0.000 0.809 111 E CB -1.004 28.688 29.700 -0.014 0.000 0.749 111 E HN 0.032 nan 8.360 nan 0.000 0.450 112 I N 1.055 121.623 120.570 -0.005 0.000 2.493 112 I HA -0.180 3.983 4.170 -0.012 0.000 0.254 112 I C 2.061 178.161 176.117 -0.028 0.000 1.160 112 I CA 1.241 62.531 61.300 -0.016 0.000 1.445 112 I CB -1.054 36.934 38.000 -0.021 0.000 1.086 112 I HN 0.274 nan 8.210 nan 0.000 0.433 113 E N 0.842 121.027 120.200 -0.025 0.000 2.077 113 E HA -0.176 4.166 4.350 -0.012 0.000 0.193 113 E C 2.304 178.890 176.600 -0.025 0.000 0.989 113 E CA 1.274 57.649 56.400 -0.042 0.000 0.800 113 E CB -0.283 29.403 29.700 -0.024 0.000 0.746 113 E HN 0.559 nan 8.360 nan 0.000 0.452 114 G N 1.340 110.139 108.800 -0.003 0.000 2.459 114 G HA2 -0.294 3.658 3.960 -0.012 0.000 0.217 114 G HA3 -0.294 3.658 3.960 -0.012 0.000 0.217 114 G C 1.689 176.592 174.900 0.004 0.000 1.183 114 G CA 1.032 46.136 45.100 0.007 0.000 0.776 114 G HN 0.363 nan 8.290 nan 0.000 0.552 115 A N 0.095 122.917 122.820 0.003 0.000 2.076 115 A HA 0.137 4.450 4.320 -0.012 0.000 0.220 115 A C 2.360 179.953 177.584 0.015 0.000 1.160 115 A CA 1.166 53.215 52.037 0.020 0.000 0.653 115 A CB -0.273 18.739 19.000 0.021 0.000 0.801 115 A HN 0.387 nan 8.150 nan 0.000 0.455 116 L N -0.960 120.239 121.223 -0.041 0.000 2.270 116 L HA -0.011 4.322 4.340 -0.012 0.000 0.210 116 L C 1.907 178.676 176.870 -0.170 0.000 1.104 116 L CA 0.571 55.330 54.840 -0.135 0.000 0.804 116 L CB -0.211 41.745 42.059 -0.171 0.000 0.937 116 L HN 0.240 nan 8.230 nan 0.000 0.450 117 E N -0.317 119.844 120.200 -0.065 0.000 2.502 117 E HA -0.084 4.258 4.350 -0.012 0.000 0.194 117 E C -0.318 176.299 176.600 0.028 0.000 1.062 117 E CA 0.214 56.601 56.400 -0.020 0.000 0.867 117 E CB -0.109 29.601 29.700 0.017 0.000 0.888 117 E HN 0.329 nan 8.360 nan 0.000 0.510 118 D N 1.228 121.660 120.400 0.052 0.000 2.697 118 D HA -0.176 4.457 4.640 -0.012 0.000 0.238 118 D C 0.334 176.668 176.300 0.057 0.000 1.152 118 D CA 0.515 54.565 54.000 0.084 0.000 0.666 118 D CB -0.527 40.345 40.800 0.121 0.000 1.037 118 D HN 0.238 nan 8.370 nan 0.000 0.423 119 Q N -0.616 119.208 119.800 0.041 0.000 2.164 119 Q HA 0.158 4.490 4.340 -0.012 0.000 0.226 119 Q C 0.259 176.276 176.000 0.027 0.000 0.813 119 Q CA 0.277 56.099 55.803 0.032 0.000 0.978 119 Q CB 1.204 29.958 28.738 0.027 0.000 1.149 119 Q HN 0.276 nan 8.270 nan 0.000 0.489 120 R N 0.791 121.308 120.500 0.028 0.000 2.536 120 R HA 0.410 4.743 4.340 -0.012 0.000 0.269 120 R C -2.803 173.510 176.300 0.021 0.000 1.113 120 R CA -1.534 54.577 56.100 0.018 0.000 0.948 120 R CB 1.515 31.819 30.300 0.007 0.000 1.237 120 R HN -0.086 nan 8.270 nan 0.000 0.441 121 P HA 0.229 nan 4.420 nan 0.000 0.278 121 P C -0.214 177.072 177.300 -0.023 0.000 1.238 121 P CA -0.483 62.630 63.100 0.020 0.000 0.794 121 P CB 0.940 32.657 31.700 0.029 0.000 0.955 122 V N 4.116 124.032 119.914 0.003 0.000 2.221 122 V HA 0.201 4.314 4.120 -0.012 0.000 0.258 122 V C 1.147 177.126 176.094 -0.191 0.000 1.179 122 V CA -0.393 61.890 62.300 -0.029 0.000 1.022 122 V CB -0.734 31.133 31.823 0.073 0.000 1.228 122 V HN 0.405 nan 8.190 nan 0.000 0.487 123 R N 4.753 124.954 120.500 -0.498 0.000 3.710 123 R HA 0.064 4.397 4.340 -0.012 0.000 0.201 123 R C 1.341 176.850 176.300 -1.318 0.000 1.641 123 R CA -0.262 54.998 56.100 -1.401 0.000 1.390 123 R CB 0.060 29.652 30.300 -1.181 0.000 1.341 123 R HN 0.941 nan 8.270 nan 0.000 0.728 124 W N 1.503 122.341 121.300 -0.770 0.000 2.374 124 W HA -0.202 4.450 4.660 -0.012 0.000 0.288 124 W C 0.726 177.094 176.519 -0.251 0.000 1.218 124 W CA 0.369 57.505 57.345 -0.349 0.000 1.245 124 W CB -0.930 28.472 29.460 -0.096 0.000 1.126 124 W HN 0.511 nan 8.180 nan 0.000 0.545 125 W N 1.752 122.518 121.300 -0.891 0.000 2.387 125 W HA 0.038 4.691 4.660 -0.012 0.000 0.272 125 W C 2.092 178.479 176.519 -0.219 0.000 1.224 125 W CA 1.427 58.381 57.345 -0.652 0.000 1.210 125 W CB -1.236 27.718 29.460 -0.844 0.000 1.125 125 W HN -0.211 nan 8.180 nan 0.000 0.572 126 R N 0.219 120.334 120.500 -0.642 0.000 2.121 126 R HA 0.066 4.399 4.340 -0.012 0.000 0.206 126 R C 2.210 178.389 176.300 -0.203 0.000 1.094 126 R CA 0.958 56.858 56.100 -0.335 0.000 1.055 126 R CB -0.523 29.519 30.300 -0.430 0.000 0.964 126 R HN 0.114 nan 8.270 nan 0.000 0.473 127 V N 1.824 121.590 119.914 -0.247 0.000 2.323 127 V HA -0.181 3.932 4.120 -0.012 0.000 0.244 127 V C 2.342 178.397 176.094 -0.064 0.000 1.041 127 V CA 1.435 63.648 62.300 -0.145 0.000 1.025 127 V CB -0.427 31.302 31.823 -0.158 0.000 0.656 127 V HN 0.256 nan 8.190 nan 0.000 0.451 128 L N 0.752 121.956 121.223 -0.032 0.000 1.976 128 L HA -0.198 4.135 4.340 -0.012 0.000 0.223 128 L C 0.354 177.210 176.870 -0.023 0.000 1.081 128 L CA 2.489 57.318 54.840 -0.017 0.000 0.784 128 L CB -2.224 39.848 42.059 0.021 0.000 0.896 128 L HN 0.376 nan 8.230 nan 0.000 0.438 129 P HA -0.084 nan 4.420 nan 0.000 0.219 129 P C 1.815 179.222 177.300 0.179 0.000 1.150 129 P CA 1.247 64.406 63.100 0.098 0.000 0.814 129 P CB 0.136 31.921 31.700 0.143 0.000 0.787 130 V N 0.383 120.331 119.914 0.057 0.000 2.446 130 V HA -0.107 4.006 4.120 -0.012 0.000 0.244 130 V C 2.756 178.878 176.094 0.046 0.000 1.039 130 V CA 1.743 64.058 62.300 0.024 0.000 1.045 130 V CB -0.965 30.822 31.823 -0.061 0.000 0.681 130 V HN 0.053 nan 8.190 nan 0.000 0.459 131 K N 0.286 120.702 120.400 0.027 0.000 2.057 131 K HA -0.127 4.186 4.320 -0.012 0.000 0.206 131 K C 1.898 178.567 176.600 0.114 0.000 1.050 131 K CA 1.622 57.922 56.287 0.021 0.000 0.935 131 K CB -0.540 31.941 32.500 -0.032 0.000 0.715 131 K HN 0.365 nan 8.250 nan 0.000 0.439 132 F N -0.317 119.612 119.950 -0.036 0.000 2.039 132 F HA -0.082 4.438 4.527 -0.011 0.000 0.294 132 F C 1.552 177.407 175.800 0.092 0.000 1.130 132 F CA 1.515 59.516 58.000 0.002 0.000 1.189 132 F CB -0.344 38.496 39.000 -0.266 0.000 0.983 132 F HN -0.026 nan 8.300 nan 0.000 0.471 133 F N 0.993 121.184 119.950 0.401 0.000 2.234 133 F HA 0.052 4.572 4.527 -0.012 0.000 0.299 133 F C 2.613 178.559 175.800 0.243 0.000 1.087 133 F CA 1.026 59.197 58.000 0.284 0.000 1.340 133 F CB -1.552 37.674 39.000 0.377 0.000 1.031 133 F HN 0.104 nan 8.300 nan 0.000 0.500 134 G N -0.060 108.917 108.800 0.296 0.000 2.433 134 G HA2 -0.161 3.792 3.960 -0.012 0.000 0.216 134 G HA3 -0.161 3.792 3.960 -0.012 0.000 0.216 134 G C 2.099 177.089 174.900 0.149 0.000 1.186 134 G CA 0.857 46.045 45.100 0.148 0.000 0.779 134 G HN 0.483 nan 8.290 nan 0.000 0.543 135 G N 0.691 109.593 108.800 0.170 0.000 2.421 135 G HA2 -0.140 3.813 3.960 -0.012 0.000 0.216 135 G HA3 -0.140 3.813 3.960 -0.012 0.000 0.216 135 G C 1.756 176.693 174.900 0.063 0.000 1.171 135 G CA 0.913 46.141 45.100 0.214 0.000 0.775 135 G HN 0.315 nan 8.290 nan 0.000 0.543 136 L N 1.532 122.693 121.223 -0.103 0.000 2.064 136 L HA -0.102 4.231 4.340 -0.012 0.000 0.216 136 L C 2.901 179.731 176.870 -0.067 0.000 1.077 136 L CA 2.196 56.843 54.840 -0.321 0.000 0.766 136 L CB -0.849 41.075 42.059 -0.225 0.000 0.890 136 L HN 0.252 nan 8.230 nan 0.000 0.435 137 G N -2.668 106.199 108.800 0.111 0.000 2.394 137 G HA2 -0.207 3.746 3.960 -0.012 0.000 0.214 137 G HA3 -0.207 3.746 3.960 -0.012 0.000 0.214 137 G C 1.505 176.478 174.900 0.122 0.000 1.176 137 G CA 1.074 46.279 45.100 0.175 0.000 0.786 137 G HN 0.482 nan 8.290 nan 0.000 0.533 138 T N -0.456 114.164 114.554 0.110 0.000 2.896 138 T HA 0.138 4.480 4.350 -0.012 0.000 0.263 138 T C 2.295 177.038 174.700 0.072 0.000 1.050 138 T CA 0.381 62.540 62.100 0.099 0.000 1.140 138 T CB -0.153 68.753 68.868 0.064 0.000 0.877 138 T HN -0.006 nan 8.240 nan 0.000 0.457 139 L N 1.657 122.911 121.223 0.051 0.000 2.027 139 L HA 0.111 4.443 4.340 -0.012 0.000 0.206 139 L C 3.097 179.969 176.870 0.003 0.000 1.074 139 L CA 2.180 57.040 54.840 0.034 0.000 0.745 139 L CB -1.868 40.206 42.059 0.024 0.000 0.898 139 L HN 0.500 nan 8.230 nan 0.000 0.433 140 G N -0.275 108.506 108.800 -0.033 0.000 2.469 140 G HA2 -0.266 3.686 3.960 -0.012 0.000 0.219 140 G HA3 -0.266 3.686 3.960 -0.012 0.000 0.219 140 G C 1.489 176.391 174.900 0.004 0.000 1.150 140 G CA 0.883 45.969 45.100 -0.023 0.000 0.763 140 G HN 0.514 nan 8.290 nan 0.000 0.561 141 G N -0.706 108.107 108.800 0.021 0.000 2.744 141 G HA2 0.355 4.308 3.960 -0.012 0.000 0.211 141 G HA3 0.355 4.308 3.960 -0.012 0.000 0.211 141 G C 1.217 176.126 174.900 0.014 0.000 1.143 141 G CA 0.770 45.879 45.100 0.015 0.000 0.788 141 G HN 1.538 nan 8.290 nan 0.000 0.534 142 G N -0.847 107.970 108.800 0.028 0.000 2.184 142 G HA2 -0.234 3.719 3.960 -0.012 0.000 0.206 142 G HA3 -0.234 3.719 3.960 -0.012 0.000 0.206 142 G C 0.467 175.395 174.900 0.046 0.000 0.995 142 G CA -0.002 45.120 45.100 0.037 0.000 0.651 142 G HN 0.352 nan 8.290 nan 0.000 0.511 143 M N 1.025 120.657 119.600 0.054 0.000 2.252 143 M HA 0.260 4.733 4.480 -0.012 0.000 0.333 143 M C 1.200 177.543 176.300 0.072 0.000 1.111 143 M CA 0.065 55.408 55.300 0.072 0.000 1.140 143 M CB 1.103 33.763 32.600 0.100 0.000 1.538 143 M HN -0.088 nan 8.290 nan 0.000 0.448 144 V N 5.649 125.608 119.914 0.076 0.000 2.106 144 V HA 0.019 4.132 4.120 -0.012 0.000 0.235 144 V C 0.122 176.266 176.094 0.083 0.000 1.454 144 V CA 0.680 63.018 62.300 0.063 0.000 1.458 144 V CB -1.892 29.970 31.823 0.065 0.000 1.506 144 V HN 0.556 nan 8.190 nan 0.000 0.498 145 L N 1.274 122.542 121.223 0.075 0.000 2.409 145 L HA 0.848 5.180 4.340 -0.012 0.000 0.255 145 L C 0.565 177.478 176.870 0.071 0.000 1.027 145 L CA -0.634 54.267 54.840 0.102 0.000 0.834 145 L CB 2.097 44.237 42.059 0.134 0.000 1.426 145 L HN 0.403 nan 8.230 nan 0.000 0.411 146 G N -0.348 108.506 108.800 0.090 0.000 2.552 146 G HA2 0.537 4.490 3.960 -0.012 0.000 0.318 146 G HA3 0.537 4.490 3.960 -0.012 0.000 0.318 146 G C 0.151 175.117 174.900 0.110 0.000 1.240 146 G CA -0.454 44.699 45.100 0.089 0.000 1.002 146 G HN 0.659 nan 8.290 nan 0.000 0.493 147 R N -0.519 120.038 120.500 0.096 0.000 2.128 147 R HA 0.177 4.509 4.340 -0.012 0.000 0.211 147 R C 2.786 178.953 176.300 -0.222 0.000 1.067 147 R CA 0.838 56.948 56.100 0.017 0.000 1.010 147 R CB -0.170 30.172 30.300 0.071 0.000 0.922 147 R HN 0.485 nan 8.270 nan 0.000 0.457 148 A N 1.423 124.037 122.820 -0.343 0.000 1.859 148 A HA -0.135 4.177 4.320 -0.012 0.000 0.217 148 A C 2.308 179.666 177.584 -0.377 0.000 1.198 148 A CA 2.003 53.693 52.037 -0.578 0.000 0.629 148 A CB -1.575 16.949 19.000 -0.794 0.000 0.830 148 A HN 0.425 nan 8.150 nan 0.000 0.446 149 G N 0.206 108.882 108.800 -0.207 0.000 2.812 149 G HA2 -0.292 3.661 3.960 -0.012 0.000 0.218 149 G HA3 -0.292 3.661 3.960 -0.012 0.000 0.218 149 G C -0.228 174.588 174.900 -0.139 0.000 1.287 149 G CA 1.626 46.673 45.100 -0.089 0.000 0.796 149 G HN 0.478 nan 8.290 nan 0.000 0.649 150 P HA -0.075 nan 4.420 nan 0.000 0.215 150 P C 2.282 179.373 177.300 -0.349 0.000 1.153 150 P CA 2.596 65.550 63.100 -0.243 0.000 0.853 150 P CB -0.428 31.099 31.700 -0.287 0.000 0.788 151 T N -3.170 111.133 114.554 -0.419 0.000 2.915 151 T HA -0.058 4.285 4.350 -0.012 0.000 0.269 151 T C 1.793 176.334 174.700 -0.265 0.000 1.071 151 T CA 0.840 62.712 62.100 -0.379 0.000 1.132 151 T CB -1.372 67.271 68.868 -0.375 0.000 0.878 151 T HN -0.106 nan 8.240 nan 0.000 0.479 152 V N 1.576 121.342 119.914 -0.248 0.000 2.427 152 V HA -0.160 3.953 4.120 -0.012 0.000 0.248 152 V C 2.844 178.868 176.094 -0.116 0.000 1.051 152 V CA 1.802 64.001 62.300 -0.168 0.000 1.048 152 V CB -0.761 30.979 31.823 -0.138 0.000 0.666 152 V HN 0.507 nan 8.190 nan 0.000 0.456 153 Q N -0.084 119.645 119.800 -0.119 0.000 2.049 153 Q HA -0.119 4.213 4.340 -0.012 0.000 0.198 153 Q C 2.279 178.221 176.000 -0.097 0.000 0.971 153 Q CA 1.670 57.420 55.803 -0.089 0.000 0.833 153 Q CB -0.095 28.595 28.738 -0.081 0.000 0.896 153 Q HN 0.596 nan 8.270 nan 0.000 0.434 154 I N 0.588 121.080 120.570 -0.130 0.000 2.335 154 I HA -0.223 3.940 4.170 -0.012 0.000 0.251 154 I C 2.258 178.310 176.117 -0.109 0.000 1.129 154 I CA 1.094 62.324 61.300 -0.116 0.000 1.402 154 I CB -0.809 37.103 38.000 -0.146 0.000 1.069 154 I HN 0.398 nan 8.210 nan 0.000 0.424 155 G N 1.032 109.759 108.800 -0.122 0.000 2.480 155 G HA2 -0.212 3.741 3.960 -0.012 0.000 0.216 155 G HA3 -0.212 3.741 3.960 -0.012 0.000 0.216 155 G C 1.714 176.563 174.900 -0.085 0.000 1.200 155 G CA 0.923 45.958 45.100 -0.109 0.000 0.782 155 G HN 0.466 nan 8.290 nan 0.000 0.554 156 G N 1.206 109.965 108.800 -0.069 0.000 2.491 156 G HA2 -0.322 3.631 3.960 -0.012 0.000 0.218 156 G HA3 -0.322 3.631 3.960 -0.012 0.000 0.218 156 G C 1.745 176.622 174.900 -0.038 0.000 1.180 156 G CA 1.412 46.484 45.100 -0.046 0.000 0.774 156 G HN 0.470 nan 8.290 nan 0.000 0.562 157 N N 0.522 119.203 118.700 -0.032 0.000 2.223 157 N HA -0.069 4.664 4.740 -0.012 0.000 0.185 157 N C 2.039 177.510 175.510 -0.065 0.000 1.016 157 N CA 0.702 53.755 53.050 0.005 0.000 0.863 157 N CB -0.154 38.355 38.487 0.038 0.000 0.983 157 N HN 0.219 nan 8.380 nan 0.000 0.429 158 I N 0.285 120.797 120.570 -0.097 0.000 2.361 158 I HA -0.109 4.054 4.170 -0.012 0.000 0.251 158 I C 2.254 178.272 176.117 -0.165 0.000 1.133 158 I CA 1.072 62.282 61.300 -0.150 0.000 1.413 158 I CB -1.619 36.305 38.000 -0.127 0.000 1.073 158 I HN 0.158 nan 8.210 nan 0.000 0.424 159 G N 0.656 109.388 108.800 -0.114 0.000 2.404 159 G HA2 -0.289 3.664 3.960 -0.012 0.000 0.215 159 G HA3 -0.289 3.664 3.960 -0.012 0.000 0.215 159 G C 1.862 176.705 174.900 -0.094 0.000 1.174 159 G CA 0.812 45.858 45.100 -0.091 0.000 0.780 159 G HN 0.233 nan 8.290 nan 0.000 0.537 160 R N 0.061 120.512 120.500 -0.082 0.000 2.083 160 R HA 0.007 4.339 4.340 -0.012 0.000 0.237 160 R C 2.511 178.660 176.300 -0.251 0.000 1.137 160 R CA 1.917 57.987 56.100 -0.049 0.000 0.951 160 R CB -0.577 29.776 30.300 0.088 0.000 0.851 160 R HN 0.375 nan 8.270 nan 0.000 0.434 161 M N 0.277 119.484 119.600 -0.655 0.000 2.149 161 M HA -0.150 4.323 4.480 -0.012 0.000 0.261 161 M C 1.869 177.849 176.300 -0.533 0.000 1.064 161 M CA 2.262 56.828 55.300 -1.223 0.000 1.102 161 M CB -0.054 31.703 32.600 -1.406 0.000 1.369 161 M HN 0.232 nan 8.290 nan 0.000 0.408 162 V N -1.317 118.454 119.914 -0.238 0.000 2.591 162 V HA -0.155 3.957 4.120 -0.012 0.000 0.249 162 V C 2.147 178.338 176.094 0.162 0.000 1.053 162 V CA 1.171 63.503 62.300 0.053 0.000 1.068 162 V CB -1.151 30.721 31.823 0.081 0.000 0.689 162 V HN 0.530 nan 8.190 nan 0.000 0.462 163 L N 1.597 122.840 121.223 0.033 0.000 2.042 163 L HA -0.131 4.202 4.340 -0.012 0.000 0.210 163 L C 2.063 178.988 176.870 0.093 0.000 1.076 163 L CA 2.588 57.471 54.840 0.072 0.000 0.749 163 L CB -0.860 41.225 42.059 0.043 0.000 0.893 163 L HN 0.334 nan 8.230 nan 0.000 0.432 164 D N -0.543 119.886 120.400 0.049 0.000 2.091 164 D HA -0.102 4.531 4.640 -0.012 0.000 0.199 164 D C 2.334 178.647 176.300 0.021 0.000 0.980 164 D CA 1.624 55.682 54.000 0.097 0.000 0.831 164 D CB -0.204 40.754 40.800 0.263 0.000 0.987 164 D HN 0.369 nan 8.370 nan 0.000 0.460 165 I N -0.240 120.269 120.570 -0.103 0.000 2.248 165 I HA -0.267 3.896 4.170 -0.012 0.000 0.248 165 I C 1.208 177.075 176.117 -0.416 0.000 1.107 165 I CA 1.134 62.250 61.300 -0.308 0.000 1.373 165 I CB -0.115 37.555 38.000 -0.550 0.000 1.055 165 I HN -0.051 nan 8.210 nan 0.000 0.418 166 F N 0.008 119.950 119.950 -0.013 0.000 2.678 166 F HA 0.260 4.779 4.527 -0.012 0.000 0.305 166 F C 0.780 176.585 175.800 0.008 0.000 1.090 166 F CA -0.386 57.614 58.000 0.001 0.000 1.272 166 F CB 0.150 39.152 39.000 0.003 0.000 1.060 166 F HN -0.164 nan 8.300 nan 0.000 0.576 167 R N 1.268 121.846 120.500 0.130 0.000 3.387 167 R HA -0.202 4.130 4.340 -0.012 0.000 0.254 167 R C -0.409 175.948 176.300 0.095 0.000 1.006 167 R CA 0.293 56.448 56.100 0.091 0.000 0.677 167 R CB -2.623 27.712 30.300 0.059 0.000 1.063 167 R HN 0.373 nan 8.270 nan 0.000 0.453 168 L N 0.786 122.077 121.223 0.113 0.000 2.499 168 L HA 0.092 4.425 4.340 -0.012 0.000 0.273 168 L C 1.236 178.132 176.870 0.044 0.000 1.195 168 L CA 0.799 55.682 54.840 0.070 0.000 0.882 168 L CB 0.283 42.375 42.059 0.055 0.000 1.133 168 L HN 0.073 nan 8.230 nan 0.000 0.483 169 K N 2.406 122.823 120.400 0.028 0.000 2.166 169 K HA 0.684 4.997 4.320 -0.012 0.000 0.245 169 K C -0.123 176.474 176.600 -0.005 0.000 0.967 169 K CA 0.113 56.409 56.287 0.014 0.000 0.863 169 K CB 1.858 34.367 32.500 0.016 0.000 1.107 169 K HN 0.749 nan 8.250 nan 0.000 0.436 170 G N 2.592 111.380 108.800 -0.020 0.000 2.675 170 G HA2 -0.168 3.784 3.960 -0.012 0.000 0.686 170 G HA3 -0.168 3.784 3.960 -0.012 0.000 0.686 170 G C -0.025 174.825 174.900 -0.085 0.000 1.215 170 G CA -0.261 44.816 45.100 -0.037 0.000 0.777 170 G HN 0.755 nan 8.290 nan 0.000 0.638 171 D N -0.143 120.187 120.400 -0.118 0.000 2.157 171 D HA -0.142 4.491 4.640 -0.012 0.000 0.191 171 D C 2.066 178.203 176.300 -0.272 0.000 1.004 171 D CA 1.961 55.807 54.000 -0.256 0.000 0.854 171 D CB -0.001 40.708 40.800 -0.151 0.000 0.936 171 D HN 0.705 nan 8.370 nan 0.000 0.446 172 E N -0.308 119.832 120.200 -0.099 0.000 2.033 172 E HA -0.255 4.087 4.350 -0.012 0.000 0.199 172 E C 1.997 178.570 176.600 -0.044 0.000 1.011 172 E CA 1.409 57.786 56.400 -0.039 0.000 0.815 172 E CB -0.142 29.555 29.700 -0.005 0.000 0.755 172 E HN 0.262 nan 8.360 nan 0.000 0.451 173 A N 0.964 123.756 122.820 -0.047 0.000 1.933 173 A HA -0.195 4.118 4.320 -0.012 0.000 0.218 173 A C 2.163 179.727 177.584 -0.032 0.000 1.175 173 A CA 1.640 53.660 52.037 -0.028 0.000 0.628 173 A CB -0.501 18.491 19.000 -0.014 0.000 0.814 173 A HN 0.215 nan 8.150 nan 0.000 0.444 174 R N -1.423 119.025 120.500 -0.086 0.000 2.090 174 R HA -0.086 4.247 4.340 -0.012 0.000 0.228 174 R C 1.906 178.220 176.300 0.024 0.000 1.110 174 R CA 1.541 57.606 56.100 -0.057 0.000 0.973 174 R CB -0.293 29.942 30.300 -0.109 0.000 0.869 174 R HN 0.793 nan 8.270 nan 0.000 0.440 175 H N -1.656 117.413 119.070 -0.002 0.000 2.384 175 H HA 0.052 4.601 4.556 -0.012 0.000 0.300 175 H C 1.866 177.177 175.328 -0.027 0.000 1.057 175 H CA 1.207 57.245 56.048 -0.017 0.000 1.370 175 H CB 0.279 30.026 29.762 -0.026 0.000 1.417 175 H HN 0.124 nan 8.280 nan 0.000 0.527 176 T N 1.328 115.941 114.554 0.098 0.000 2.622 176 T HA -0.123 4.219 4.350 -0.012 0.000 0.266 176 T C 2.014 176.725 174.700 0.018 0.000 1.047 176 T CA 0.991 63.115 62.100 0.039 0.000 1.159 176 T CB -0.274 68.605 68.868 0.018 0.000 0.863 176 T HN 0.199 nan 8.240 nan 0.000 0.422 177 L N 0.530 121.758 121.223 0.009 0.000 2.362 177 L HA 0.010 4.343 4.340 -0.012 0.000 0.219 177 L C 2.281 179.146 176.870 -0.008 0.000 1.134 177 L CA 0.553 55.387 54.840 -0.011 0.000 0.807 177 L CB -0.429 41.619 42.059 -0.019 0.000 0.927 177 L HN 0.251 nan 8.230 nan 0.000 0.447 178 L N -0.045 121.188 121.223 0.018 0.000 2.127 178 L HA 0.073 4.406 4.340 -0.012 0.000 0.203 178 L C 2.609 179.474 176.870 -0.008 0.000 1.080 178 L CA 1.653 56.501 54.840 0.014 0.000 0.768 178 L CB -0.493 41.597 42.059 0.052 0.000 0.924 178 L HN 0.059 nan 8.230 nan 0.000 0.444 179 A N -0.982 121.836 122.820 -0.004 0.000 1.902 179 A HA -0.222 4.091 4.320 -0.012 0.000 0.217 179 A C 2.403 179.971 177.584 -0.027 0.000 1.181 179 A CA 2.288 54.308 52.037 -0.028 0.000 0.623 179 A CB -1.342 17.640 19.000 -0.029 0.000 0.818 179 A HN 0.591 nan 8.150 nan 0.000 0.443 180 T N -2.259 112.282 114.554 -0.023 0.000 2.857 180 T HA 0.048 4.391 4.350 -0.012 0.000 0.266 180 T C 1.918 176.589 174.700 -0.049 0.000 1.048 180 T CA 1.785 63.867 62.100 -0.031 0.000 1.139 180 T CB -0.802 68.050 68.868 -0.028 0.000 0.874 180 T HN 0.407 nan 8.240 nan 0.000 0.455 181 G N 1.087 109.855 108.800 -0.053 0.000 2.469 181 G HA2 -0.024 3.928 3.960 -0.012 0.000 0.219 181 G HA3 -0.024 3.928 3.960 -0.012 0.000 0.219 181 G C 1.931 176.791 174.900 -0.068 0.000 1.150 181 G CA 0.996 46.056 45.100 -0.067 0.000 0.763 181 G HN 0.786 nan 8.290 nan 0.000 0.561 182 A N 0.755 123.545 122.820 -0.051 0.000 1.929 182 A HA 0.427 4.739 4.320 -0.012 0.000 0.216 182 A C 2.747 180.315 177.584 -0.027 0.000 1.176 182 A CA 2.042 54.055 52.037 -0.039 0.000 0.628 182 A CB -0.557 18.427 19.000 -0.026 0.000 0.816 182 A HN 0.701 nan 8.150 nan 0.000 0.444 183 A N -0.206 122.600 122.820 -0.023 0.000 1.874 183 A HA 0.330 4.643 4.320 -0.012 0.000 0.214 183 A C 2.460 180.000 177.584 -0.074 0.000 1.189 183 A CA 1.554 53.580 52.037 -0.017 0.000 0.615 183 A CB -1.024 17.971 19.000 -0.008 0.000 0.830 183 A HN 1.020 nan 8.150 nan 0.000 0.443 184 A N -0.245 122.525 122.820 -0.083 0.000 2.024 184 A HA 0.081 4.394 4.320 -0.012 0.000 0.220 184 A C 2.276 179.785 177.584 -0.125 0.000 1.164 184 A CA 1.933 53.908 52.037 -0.103 0.000 0.643 184 A CB -1.245 17.700 19.000 -0.092 0.000 0.806 184 A HN 0.683 nan 8.150 nan 0.000 0.451 185 G N -0.216 108.507 108.800 -0.128 0.000 2.433 185 G HA2 -0.130 3.823 3.960 -0.012 0.000 0.216 185 G HA3 -0.130 3.823 3.960 -0.012 0.000 0.216 185 G C 1.475 176.231 174.900 -0.241 0.000 1.186 185 G CA 1.153 46.150 45.100 -0.170 0.000 0.779 185 G HN 0.483 nan 8.290 nan 0.000 0.543 186 L N 1.205 122.283 121.223 -0.241 0.000 2.072 186 L HA 0.253 4.586 4.340 -0.012 0.000 0.205 186 L C 3.116 179.802 176.870 -0.307 0.000 1.079 186 L CA 1.929 56.557 54.840 -0.354 0.000 0.752 186 L CB -0.629 41.245 42.059 -0.309 0.000 0.906 186 L HN 0.246 nan 8.230 nan 0.000 0.436 187 A N -0.259 122.439 122.820 -0.203 0.000 1.873 187 A HA -0.202 4.111 4.320 -0.012 0.000 0.218 187 A C 2.376 179.807 177.584 -0.254 0.000 1.193 187 A CA 2.054 53.984 52.037 -0.179 0.000 0.629 187 A CB -1.273 17.638 19.000 -0.149 0.000 0.826 187 A HN 0.539 nan 8.150 nan 0.000 0.447 188 A N -0.863 121.802 122.820 -0.258 0.000 2.168 188 A HA 0.358 4.671 4.320 -0.012 0.000 0.215 188 A C 2.270 179.606 177.584 -0.414 0.000 1.152 188 A CA 1.511 53.355 52.037 -0.321 0.000 0.716 188 A CB -0.657 18.273 19.000 -0.118 0.000 0.794 188 A HN 0.971 nan 8.150 nan 0.000 0.465 189 A N -1.319 121.261 122.820 -0.400 0.000 1.929 189 A HA 0.208 4.521 4.320 -0.012 0.000 0.216 189 A C 1.452 178.804 177.584 -0.386 0.000 1.176 189 A CA 1.022 52.771 52.037 -0.480 0.000 0.628 189 A CB -0.340 18.186 19.000 -0.790 0.000 0.816 189 A HN 0.544 nan 8.150 nan 0.000 0.444 190 F N -1.985 117.829 119.950 -0.226 0.000 2.772 190 F HA 0.204 4.724 4.527 -0.011 0.000 0.316 190 F C 0.822 176.439 175.800 -0.304 0.000 1.114 190 F CA -0.069 57.817 58.000 -0.190 0.000 1.191 190 F CB 0.404 39.356 39.000 -0.079 0.000 1.065 190 F HN 0.273 nan 8.300 nan 0.000 0.534 191 N N 2.086 120.552 118.700 -0.390 0.000 2.708 191 N HA -0.246 4.487 4.740 -0.012 0.000 0.249 191 N C -0.610 174.815 175.510 -0.141 0.000 1.097 191 N CA 0.726 53.522 53.050 -0.425 0.000 0.710 191 N CB -0.817 37.486 38.487 -0.306 0.000 1.032 191 N HN 0.331 nan 8.380 nan 0.000 0.551 192 A N -0.138 122.626 122.820 -0.092 0.000 2.786 192 A HA 0.506 4.819 4.320 -0.012 0.000 0.346 192 A C -1.055 176.491 177.584 -0.063 0.000 1.265 192 A CA -0.874 51.141 52.037 -0.036 0.000 0.858 192 A CB 0.993 20.016 19.000 0.037 0.000 1.118 192 A HN 0.229 nan 8.150 nan 0.000 0.482 193 P HA -0.201 nan 4.420 nan 0.000 0.214 193 P C 1.574 178.792 177.300 -0.136 0.000 1.163 193 P CA 1.019 64.037 63.100 -0.138 0.000 0.883 193 P CB 0.102 31.704 31.700 -0.163 0.000 0.788 194 L N -0.721 120.444 121.223 -0.096 0.000 2.079 194 L HA -0.167 4.165 4.340 -0.012 0.000 0.210 194 L C 2.813 179.684 176.870 0.002 0.000 1.081 194 L CA 1.631 56.443 54.840 -0.048 0.000 0.752 194 L CB -1.266 40.790 42.059 -0.006 0.000 0.896 194 L HN -0.028 nan 8.230 nan 0.000 0.433 195 A N 0.441 123.268 122.820 0.011 0.000 1.902 195 A HA -0.110 4.202 4.320 -0.012 0.000 0.217 195 A C 2.423 180.050 177.584 0.071 0.000 1.181 195 A CA 1.679 53.748 52.037 0.053 0.000 0.623 195 A CB -1.132 17.907 19.000 0.064 0.000 0.818 195 A HN 0.437 nan 8.150 nan 0.000 0.443 196 G N -0.032 108.778 108.800 0.017 0.000 2.422 196 G HA2 -0.142 3.810 3.960 -0.012 0.000 0.218 196 G HA3 -0.142 3.810 3.960 -0.012 0.000 0.218 196 G C 1.495 176.446 174.900 0.084 0.000 1.146 196 G CA 1.139 46.256 45.100 0.030 0.000 0.769 196 G HN 0.502 nan 8.290 nan 0.000 0.547 197 I N 0.353 120.946 120.570 0.037 0.000 2.233 197 I HA -0.023 4.139 4.170 -0.012 0.000 0.243 197 I C 2.282 178.457 176.117 0.097 0.000 1.093 197 I CA 0.360 61.697 61.300 0.062 0.000 1.380 197 I CB -0.196 37.847 38.000 0.071 0.000 1.067 197 I HN 0.006 nan 8.210 nan 0.000 0.413 198 L N 0.113 121.402 121.223 0.110 0.000 2.450 198 L HA -0.188 4.145 4.340 -0.012 0.000 0.224 198 L C 2.307 179.279 176.870 0.170 0.000 1.149 198 L CA 1.665 56.574 54.840 0.114 0.000 0.816 198 L CB -1.013 41.110 42.059 0.107 0.000 0.932 198 L HN 0.290 nan 8.230 nan 0.000 0.449 199 F N 0.320 120.275 119.950 0.007 0.000 2.262 199 F HA -0.074 4.446 4.527 -0.011 0.000 0.292 199 F C 2.213 178.003 175.800 -0.016 0.000 1.081 199 F CA 0.649 58.652 58.000 0.006 0.000 1.355 199 F CB -0.078 38.913 39.000 -0.015 0.000 1.069 199 F HN -0.094 nan 8.300 nan 0.000 0.506 200 I N 1.610 122.113 120.570 -0.112 0.000 2.127 200 I HA -0.243 3.920 4.170 -0.012 0.000 0.241 200 I C 2.171 178.174 176.117 -0.190 0.000 1.075 200 I CA 1.530 62.701 61.300 -0.215 0.000 1.334 200 I CB -0.977 36.971 38.000 -0.087 0.000 1.040 200 I HN 0.310 nan 8.210 nan 0.000 0.405 201 I N -2.237 118.278 120.570 -0.093 0.000 3.764 201 I HA 0.144 4.307 4.170 -0.012 0.000 0.312 201 I C 1.212 177.280 176.117 -0.081 0.000 1.340 201 I CA 0.698 61.948 61.300 -0.084 0.000 1.195 201 I CB -0.299 37.677 38.000 -0.039 0.000 1.068 201 I HN 0.349 nan 8.210 nan 0.000 0.421 202 E N 0.719 120.853 120.200 -0.110 0.000 2.640 202 E HA -0.057 4.286 4.350 -0.012 0.000 0.197 202 E C 1.111 177.633 176.600 -0.130 0.000 0.925 202 E CA 0.349 56.700 56.400 -0.082 0.000 1.604 202 E CB 0.595 30.292 29.700 -0.005 0.000 1.769 202 E HN 0.508 nan 8.360 nan 0.000 0.965 203 E N -0.513 119.542 120.200 -0.241 0.000 2.940 203 E HA 0.145 4.488 4.350 -0.012 0.000 0.203 203 E C 1.733 178.086 176.600 -0.411 0.000 0.995 203 E CA 0.371 56.590 56.400 -0.303 0.000 1.396 203 E CB -0.056 29.471 29.700 -0.288 0.000 1.310 203 E HN -0.005 nan 8.360 nan 0.000 0.613 204 M N 1.845 121.062 119.600 -0.637 0.000 2.117 204 M HA -0.021 4.452 4.480 -0.012 0.000 0.262 204 M C 0.928 177.057 176.300 -0.285 0.000 1.065 204 M CA 1.121 56.130 55.300 -0.485 0.000 1.114 204 M CB -1.232 31.072 32.600 -0.494 0.000 1.361 204 M HN 0.101 nan 8.290 nan 0.000 0.408 205 R N 1.592 121.931 120.500 -0.268 0.000 2.811 205 R HA 0.137 4.470 4.340 -0.012 0.000 0.265 205 R C -2.512 173.667 176.300 -0.203 0.000 1.026 205 R CA -1.188 54.780 56.100 -0.221 0.000 1.142 205 R CB -1.378 28.798 30.300 -0.206 0.000 1.027 205 R HN 0.007 nan 8.270 nan 0.000 0.465 206 P HA -0.010 nan 4.420 nan 0.000 0.266 206 P C -0.544 176.644 177.300 -0.187 0.000 1.215 206 P CA 0.036 63.059 63.100 -0.129 0.000 0.763 206 P CB 0.956 32.594 31.700 -0.103 0.000 0.806 207 Q N 1.961 121.561 119.800 -0.335 0.000 2.389 207 Q HA 0.077 4.410 4.340 -0.012 0.000 0.204 207 Q C 0.329 175.861 176.000 -0.781 0.000 0.944 207 Q CA 1.398 56.777 55.803 -0.706 0.000 0.908 207 Q CB -0.231 27.870 28.738 -1.062 0.000 1.002 207 Q HN 0.488 nan 8.270 nan 0.000 0.493 208 F N -0.897 119.042 119.950 -0.018 0.000 2.746 208 F HA 0.338 4.858 4.527 -0.012 0.000 0.320 208 F C 0.323 176.132 175.800 0.016 0.000 1.097 208 F CA -0.578 57.422 58.000 0.000 0.000 1.195 208 F CB 0.411 39.412 39.000 0.001 0.000 1.056 208 F HN -0.160 nan 8.300 nan 0.000 0.562 209 R N -1.655 118.932 120.500 0.146 0.000 2.774 209 R HA 0.396 4.728 4.340 -0.012 0.000 0.272 209 R C -1.147 175.225 176.300 0.121 0.000 1.000 209 R CA -0.937 55.244 56.100 0.136 0.000 0.906 209 R CB 0.937 31.319 30.300 0.136 0.000 1.227 209 R HN -0.043 nan 8.270 nan 0.000 0.468 210 Y N 1.131 121.441 120.300 0.018 0.000 2.641 210 Y HA 0.094 4.637 4.550 -0.012 0.000 0.351 210 Y C -0.500 175.405 175.900 0.009 0.000 1.269 210 Y CA 1.486 59.591 58.100 0.008 0.000 1.485 210 Y CB 0.802 39.272 38.460 0.017 0.000 1.364 210 Y HN 0.732 nan 8.280 nan 0.000 0.651 211 T N 4.482 118.706 114.554 -0.551 0.000 2.894 211 T HA 0.366 4.709 4.350 -0.012 0.000 0.309 211 T C -0.914 173.555 174.700 -0.385 0.000 1.208 211 T CA -0.826 61.093 62.100 -0.303 0.000 1.016 211 T CB 1.206 69.938 68.868 -0.227 0.000 1.192 211 T HN 0.404 nan 8.240 nan 0.000 0.491 212 L N 1.359 122.568 121.223 -0.024 0.000 3.064 212 L HA 0.470 4.803 4.340 -0.012 0.000 0.233 212 L C -0.229 176.658 176.870 0.028 0.000 1.333 212 L CA 0.155 55.013 54.840 0.029 0.000 1.140 212 L CB -1.011 41.113 42.059 0.108 0.000 1.519 212 L HN 0.495 nan 8.230 nan 0.000 0.493 213 I N -0.322 120.225 120.570 -0.038 0.000 2.325 213 I HA 0.174 4.336 4.170 -0.012 0.000 0.291 213 I C 0.777 176.874 176.117 -0.034 0.000 1.019 213 I CA -0.174 61.115 61.300 -0.018 0.000 1.302 213 I CB 1.445 39.412 38.000 -0.054 0.000 1.401 213 I HN 0.185 nan 8.210 nan 0.000 0.485 214 S N 6.301 121.996 115.700 -0.009 0.000 2.430 214 S HA 0.271 4.734 4.470 -0.012 0.000 0.282 214 S C 1.300 175.897 174.600 -0.004 0.000 1.186 214 S CA -0.467 57.728 58.200 -0.009 0.000 1.060 214 S CB 0.275 63.476 63.200 0.002 0.000 0.966 214 S HN 0.562 nan 8.310 nan 0.000 0.501 215 I N 4.885 125.444 120.570 -0.018 0.000 2.163 215 I HA -0.169 3.993 4.170 -0.012 0.000 0.243 215 I C 2.560 178.687 176.117 0.017 0.000 1.085 215 I CA 1.262 62.560 61.300 -0.004 0.000 1.347 215 I CB -0.180 37.792 38.000 -0.045 0.000 1.044 215 I HN 0.713 nan 8.210 nan 0.000 0.408 216 K N 0.897 121.277 120.400 -0.034 0.000 2.211 216 K HA -0.199 4.114 4.320 -0.012 0.000 0.204 216 K C 2.000 178.639 176.600 0.066 0.000 1.047 216 K CA 1.414 57.684 56.287 -0.030 0.000 0.935 216 K CB 0.002 32.471 32.500 -0.052 0.000 0.728 216 K HN 0.343 nan 8.250 nan 0.000 0.452 217 A N 0.350 123.199 122.820 0.048 0.000 1.898 217 A HA -0.049 4.263 4.320 -0.012 0.000 0.214 217 A C 2.150 179.769 177.584 0.060 0.000 1.183 217 A CA 1.099 53.162 52.037 0.044 0.000 0.622 217 A CB -0.407 18.604 19.000 0.019 0.000 0.824 217 A HN 0.133 nan 8.150 nan 0.000 0.444 218 V N -0.999 118.960 119.914 0.075 0.000 2.332 218 V HA -0.266 3.847 4.120 -0.012 0.000 0.248 218 V C 2.272 178.436 176.094 0.116 0.000 1.055 218 V CA 2.107 64.451 62.300 0.075 0.000 1.038 218 V CB -1.025 30.844 31.823 0.077 0.000 0.651 218 V HN 0.516 nan 8.190 nan 0.000 0.450 219 F N 0.178 120.112 119.950 -0.027 0.000 2.069 219 F HA -0.197 4.323 4.527 -0.012 0.000 0.298 219 F C 2.244 178.027 175.800 -0.028 0.000 1.113 219 F CA 1.745 59.731 58.000 -0.024 0.000 1.214 219 F CB -0.506 38.483 39.000 -0.019 0.000 0.978 219 F HN 0.040 nan 8.300 nan 0.000 0.474 220 I N -0.614 120.048 120.570 0.154 0.000 2.194 220 I HA -0.309 3.854 4.170 -0.012 0.000 0.246 220 I C 2.705 178.809 176.117 -0.023 0.000 1.093 220 I CA 1.523 62.853 61.300 0.051 0.000 1.355 220 I CB -1.398 36.623 38.000 0.034 0.000 1.046 220 I HN 0.240 nan 8.210 nan 0.000 0.413 221 G N 0.747 109.527 108.800 -0.032 0.000 2.446 221 G HA2 -0.192 3.760 3.960 -0.012 0.000 0.217 221 G HA3 -0.192 3.760 3.960 -0.012 0.000 0.217 221 G C 1.708 176.557 174.900 -0.084 0.000 1.168 221 G CA 1.034 46.095 45.100 -0.065 0.000 0.771 221 G HN 0.246 nan 8.290 nan 0.000 0.551 222 V N 1.369 121.218 119.914 -0.108 0.000 2.237 222 V HA -0.192 3.921 4.120 -0.012 0.000 0.245 222 V C 2.807 178.813 176.094 -0.146 0.000 1.046 222 V CA 1.791 63.998 62.300 -0.154 0.000 1.007 222 V CB -0.578 31.097 31.823 -0.245 0.000 0.638 222 V HN 0.402 nan 8.190 nan 0.000 0.445 223 I N -0.569 119.905 120.570 -0.160 0.000 2.145 223 I HA -0.353 3.810 4.170 -0.012 0.000 0.244 223 I C 2.638 178.716 176.117 -0.065 0.000 1.075 223 I CA 1.677 62.912 61.300 -0.108 0.000 1.332 223 I CB -0.436 37.524 38.000 -0.066 0.000 1.033 223 I HN 0.283 nan 8.210 nan 0.000 0.410 224 M N 0.438 120.001 119.600 -0.062 0.000 2.080 224 M HA -0.170 4.302 4.480 -0.012 0.000 0.260 224 M C 2.699 178.977 176.300 -0.036 0.000 1.068 224 M CA 2.344 57.613 55.300 -0.051 0.000 1.109 224 M CB -1.622 30.934 32.600 -0.072 0.000 1.342 224 M HN 0.443 nan 8.290 nan 0.000 0.405 225 S N -1.116 114.555 115.700 -0.048 0.000 2.387 225 S HA -0.078 4.385 4.470 -0.012 0.000 0.226 225 S C 1.957 176.563 174.600 0.011 0.000 1.026 225 S CA 1.583 59.765 58.200 -0.030 0.000 0.972 225 S CB -0.894 62.269 63.200 -0.061 0.000 0.814 225 S HN 0.426 nan 8.310 nan 0.000 0.477 226 T N 2.656 117.201 114.554 -0.015 0.000 2.788 226 T HA 0.096 4.439 4.350 -0.012 0.000 0.268 226 T C 1.659 176.411 174.700 0.086 0.000 1.044 226 T CA 1.550 63.664 62.100 0.024 0.000 1.139 226 T CB -0.476 68.372 68.868 -0.034 0.000 0.867 226 T HN 0.406 nan 8.240 nan 0.000 0.454 227 I N 0.646 121.239 120.570 0.038 0.000 2.252 227 I HA -0.148 4.014 4.170 -0.012 0.000 0.245 227 I C 2.439 178.596 176.117 0.066 0.000 1.102 227 I CA 0.845 62.167 61.300 0.036 0.000 1.385 227 I CB -0.273 37.730 38.000 0.005 0.000 1.064 227 I HN 0.201 nan 8.210 nan 0.000 0.414 228 M N -0.419 119.232 119.600 0.084 0.000 2.108 228 M HA -0.268 4.205 4.480 -0.012 0.000 0.261 228 M C 2.479 178.914 176.300 0.225 0.000 1.066 228 M CA 1.982 57.367 55.300 0.141 0.000 1.107 228 M CB -1.419 31.228 32.600 0.080 0.000 1.356 228 M HN 0.275 nan 8.290 nan 0.000 0.406 229 Y N 1.513 121.854 120.300 0.068 0.000 2.181 229 Y HA -0.185 4.357 4.550 -0.013 0.000 0.288 229 Y C 2.424 178.387 175.900 0.104 0.000 1.146 229 Y CA 1.725 59.874 58.100 0.082 0.000 1.164 229 Y CB -0.129 38.349 38.460 0.030 0.000 0.982 229 Y HN 0.100 nan 8.280 nan 0.000 0.515 230 R N 0.057 120.624 120.500 0.111 0.000 2.120 230 R HA -0.124 4.208 4.340 -0.012 0.000 0.234 230 R C 2.023 178.148 176.300 -0.290 0.000 1.123 230 R CA 1.209 57.282 56.100 -0.045 0.000 0.975 230 R CB -0.736 29.578 30.300 0.024 0.000 0.866 230 R HN 0.414 nan 8.270 nan 0.000 0.446 231 I N -0.088 120.352 120.570 -0.217 0.000 2.567 231 I HA -0.174 3.988 4.170 -0.012 0.000 0.257 231 I C 1.173 176.876 176.117 -0.689 0.000 1.184 231 I CA 1.234 62.252 61.300 -0.471 0.000 1.451 231 I CB -0.578 37.258 38.000 -0.273 0.000 1.089 231 I HN -0.023 nan 8.210 nan 0.000 0.441 232 F N 0.289 120.056 119.950 -0.304 0.000 2.688 232 F HA 0.248 4.768 4.527 -0.012 0.000 0.310 232 F C 0.638 176.348 175.800 -0.149 0.000 1.098 232 F CA -0.039 57.857 58.000 -0.175 0.000 1.228 232 F CB -0.017 38.900 39.000 -0.137 0.000 1.042 232 F HN 0.100 nan 8.300 nan 0.000 0.557 233 N N -0.515 118.149 118.700 -0.059 0.000 2.528 233 N HA -0.001 4.731 4.740 -0.012 0.000 0.266 233 N C -0.825 174.729 175.510 0.073 0.000 1.528 233 N CA -0.273 52.729 53.050 -0.079 0.000 0.959 233 N CB 0.363 38.494 38.487 -0.594 0.000 1.430 233 N HN 0.076 nan 8.380 nan 0.000 0.511 234 H N 1.051 120.051 119.070 -0.117 0.000 2.660 234 H HA 0.288 4.837 4.556 -0.012 0.000 0.374 234 H C -0.018 175.286 175.328 -0.040 0.000 1.291 234 H CA 0.133 56.147 56.048 -0.057 0.000 1.437 234 H CB 0.124 29.855 29.762 -0.051 0.000 1.509 234 H HN 0.110 nan 8.280 nan 0.000 0.614 235 E N -0.522 119.693 120.200 0.026 0.000 3.375 235 E HA 0.046 4.388 4.350 -0.012 0.000 0.160 235 E C -1.249 175.335 176.600 -0.027 0.000 1.617 235 E CA 0.509 56.875 56.400 -0.057 0.000 0.787 235 E CB -1.351 28.234 29.700 -0.191 0.000 1.087 235 E HN 0.580 nan 8.360 nan 0.000 0.375 236 V N -1.903 118.015 119.914 0.007 0.000 2.195 236 V HA 0.248 4.361 4.120 -0.012 0.000 0.323 236 V C -0.156 175.960 176.094 0.036 0.000 1.705 236 V CA -0.384 61.925 62.300 0.015 0.000 0.779 236 V CB 0.142 31.975 31.823 0.017 0.000 1.183 236 V HN 0.792 nan 8.190 nan 0.000 0.246 237 A N 1.246 124.082 122.820 0.025 0.000 2.637 237 A HA 0.977 5.290 4.320 -0.012 0.000 0.258 237 A C 0.502 178.083 177.584 -0.004 0.000 1.250 237 A CA -0.201 51.851 52.037 0.025 0.000 0.931 237 A CB 0.958 19.955 19.000 -0.004 0.000 1.488 237 A HN 1.029 nan 8.150 nan 0.000 0.464 238 L N -0.865 120.322 121.223 -0.059 0.000 2.298 238 L HA 0.345 4.678 4.340 -0.012 0.000 0.209 238 L C -0.255 176.471 176.870 -0.239 0.000 1.084 238 L CA 0.938 55.666 54.840 -0.185 0.000 0.816 238 L CB 0.114 41.976 42.059 -0.327 0.000 0.967 238 L HN 0.433 nan 8.230 nan 0.000 0.460 239 I N -0.409 120.061 120.570 -0.166 0.000 2.512 239 I HA 0.226 4.389 4.170 -0.012 0.000 0.287 239 I C -1.343 174.745 176.117 -0.048 0.000 1.069 239 I CA -0.534 60.702 61.300 -0.106 0.000 1.056 239 I CB 2.370 40.299 38.000 -0.118 0.000 1.229 239 I HN -0.144 nan 8.210 nan 0.000 0.429 240 D N 5.155 125.544 120.400 -0.019 0.000 2.278 240 D HA 0.468 5.101 4.640 -0.012 0.000 0.245 240 D C -0.050 176.253 176.300 0.004 0.000 1.052 240 D CA -0.151 53.846 54.000 -0.006 0.000 0.834 240 D CB 2.741 43.541 40.800 -0.000 0.000 1.194 240 D HN 0.218 nan 8.370 nan 0.000 0.481 241 V N 1.894 121.811 119.914 0.005 0.000 3.380 241 V HA 0.326 4.439 4.120 -0.012 0.000 0.277 241 V C 0.936 177.037 176.094 0.011 0.000 1.590 241 V CA 0.484 62.791 62.300 0.012 0.000 1.019 241 V CB 0.127 31.956 31.823 0.011 0.000 0.828 241 V HN 0.896 nan 8.190 nan 0.000 0.427 242 G N 1.876 110.680 108.800 0.008 0.000 2.796 242 G HA2 -0.225 3.727 3.960 -0.012 0.000 0.226 242 G HA3 -0.225 3.727 3.960 -0.012 0.000 0.226 242 G C -0.388 174.517 174.900 0.008 0.000 1.381 242 G CA 0.131 45.236 45.100 0.008 0.000 0.867 242 G HN 0.488 nan 8.290 nan 0.000 0.552 243 K N 0.831 121.236 120.400 0.009 0.000 2.257 243 K HA 0.567 4.879 4.320 -0.012 0.000 0.270 243 K C 1.037 177.642 176.600 0.008 0.000 1.098 243 K CA -0.662 55.630 56.287 0.008 0.000 0.943 243 K CB -0.095 32.410 32.500 0.009 0.000 1.316 243 K HN 0.498 nan 8.250 nan 0.000 0.447 244 L N 1.967 123.193 121.223 0.005 0.000 2.456 244 L HA 0.191 4.524 4.340 -0.012 0.000 0.246 244 L C 0.841 177.714 176.870 0.005 0.000 1.238 244 L CA -0.141 54.706 54.840 0.011 0.000 0.826 244 L CB 0.265 42.330 42.059 0.011 0.000 1.150 244 L HN 0.838 nan 8.230 nan 0.000 0.514 245 S N -0.976 114.734 115.700 0.016 0.000 2.624 245 S HA 0.179 4.641 4.470 -0.012 0.000 0.263 245 S C -0.385 174.208 174.600 -0.012 0.000 1.287 245 S CA -0.940 57.269 58.200 0.014 0.000 0.990 245 S CB 0.912 64.137 63.200 0.041 0.000 0.950 245 S HN 0.431 nan 8.310 nan 0.000 0.561 246 D N 0.585 120.975 120.400 -0.017 0.000 2.377 246 D HA 0.568 5.201 4.640 -0.012 0.000 0.245 246 D C -0.220 176.051 176.300 -0.047 0.000 1.196 246 D CA -0.091 53.880 54.000 -0.049 0.000 0.962 246 D CB 0.550 41.325 40.800 -0.042 0.000 1.127 246 D HN 0.820 nan 8.370 nan 0.000 0.471 247 A N 1.003 123.766 122.820 -0.095 0.000 2.273 247 A HA 0.584 4.897 4.320 -0.012 0.000 0.315 247 A C -2.395 175.154 177.584 -0.058 0.000 1.256 247 A CA -1.220 50.768 52.037 -0.081 0.000 0.851 247 A CB 0.450 19.322 19.000 -0.213 0.000 1.172 247 A HN 0.284 nan 8.150 nan 0.000 0.508 248 P HA 0.290 nan 4.420 nan 0.000 0.275 248 P C 1.106 178.396 177.300 -0.016 0.000 1.228 248 P CA -0.569 62.525 63.100 -0.009 0.000 0.786 248 P CB 0.676 32.390 31.700 0.024 0.000 0.927 249 L N 1.308 122.529 121.223 -0.004 0.000 2.030 249 L HA -0.302 4.031 4.340 -0.012 0.000 0.222 249 L C 1.942 178.841 176.870 0.047 0.000 1.082 249 L CA 2.099 56.947 54.840 0.014 0.000 0.785 249 L CB -0.986 41.084 42.059 0.019 0.000 0.895 249 L HN 0.573 nan 8.230 nan 0.000 0.439 250 N N -1.388 117.341 118.700 0.049 0.000 2.626 250 N HA -0.127 4.605 4.740 -0.012 0.000 0.193 250 N C 1.134 176.671 175.510 0.046 0.000 1.213 250 N CA 1.291 54.397 53.050 0.094 0.000 0.914 250 N CB -0.309 38.265 38.487 0.145 0.000 0.994 250 N HN 0.264 nan 8.380 nan 0.000 0.447 251 T N 0.135 114.644 114.554 -0.074 0.000 2.971 251 T HA 0.314 4.656 4.350 -0.012 0.000 0.252 251 T C 1.749 176.399 174.700 -0.083 0.000 1.022 251 T CA -0.361 61.552 62.100 -0.311 0.000 0.980 251 T CB 0.325 69.055 68.868 -0.228 0.000 1.044 251 T HN 0.070 nan 8.240 nan 0.000 0.501 252 L N 1.395 122.711 121.223 0.155 0.000 2.046 252 L HA -0.075 4.257 4.340 -0.012 0.000 0.208 252 L C 2.783 179.816 176.870 0.272 0.000 1.077 252 L CA 1.343 56.333 54.840 0.249 0.000 0.747 252 L CB -0.593 41.544 42.059 0.131 0.000 0.896 252 L HN 0.554 nan 8.230 nan 0.000 0.432 253 W N 0.648 121.996 121.300 0.080 0.000 2.341 253 W HA -0.216 4.438 4.660 -0.011 0.000 0.283 253 W C 1.660 178.240 176.519 0.102 0.000 1.215 253 W CA 0.766 58.154 57.345 0.073 0.000 1.211 253 W CB -1.313 28.167 29.460 0.033 0.000 1.131 253 W HN 0.200 nan 8.180 nan 0.000 0.552 254 L N -0.327 120.545 121.223 -0.585 0.000 2.141 254 L HA -0.195 4.138 4.340 -0.012 0.000 0.209 254 L C 2.608 179.424 176.870 -0.089 0.000 1.094 254 L CA 1.380 55.915 54.840 -0.507 0.000 0.763 254 L CB -1.048 40.622 42.059 -0.648 0.000 0.908 254 L HN -0.143 nan 8.230 nan 0.000 0.437 255 Y N -0.789 119.548 120.300 0.062 0.000 2.220 255 Y HA -0.228 4.315 4.550 -0.012 0.000 0.291 255 Y C 2.320 178.199 175.900 -0.034 0.000 1.129 255 Y CA 0.704 58.812 58.100 0.014 0.000 1.161 255 Y CB -0.391 38.016 38.460 -0.089 0.000 0.997 255 Y HN 0.045 nan 8.280 nan 0.000 0.522 256 L N 0.730 122.044 121.223 0.151 0.000 1.970 256 L HA -0.225 4.108 4.340 -0.012 0.000 0.212 256 L C 2.085 178.997 176.870 0.070 0.000 1.071 256 L CA 1.650 56.557 54.840 0.113 0.000 0.751 256 L CB -1.244 40.910 42.059 0.158 0.000 0.889 256 L HN 0.274 nan 8.230 nan 0.000 0.432 257 I N -0.673 119.947 120.570 0.083 0.000 2.113 257 I HA -0.366 3.796 4.170 -0.012 0.000 0.242 257 I C 2.495 178.534 176.117 -0.131 0.000 1.057 257 I CA 1.856 63.183 61.300 0.045 0.000 1.314 257 I CB -0.571 37.502 38.000 0.122 0.000 1.022 257 I HN 0.406 nan 8.210 nan 0.000 0.408 258 L N 1.203 122.204 121.223 -0.370 0.000 2.083 258 L HA -0.075 4.257 4.340 -0.012 0.000 0.209 258 L C 2.299 179.087 176.870 -0.137 0.000 1.083 258 L CA 2.210 56.653 54.840 -0.662 0.000 0.752 258 L CB -1.165 40.316 42.059 -0.963 0.000 0.899 258 L HN 0.189 nan 8.230 nan 0.000 0.433 259 G N 0.088 108.872 108.800 -0.028 0.000 2.459 259 G HA2 -0.284 3.668 3.960 -0.012 0.000 0.217 259 G HA3 -0.284 3.668 3.960 -0.012 0.000 0.217 259 G C 1.632 176.585 174.900 0.089 0.000 1.183 259 G CA 1.285 46.420 45.100 0.060 0.000 0.776 259 G HN 0.492 nan 8.290 nan 0.000 0.552 260 I N 0.656 121.258 120.570 0.054 0.000 2.264 260 I HA -0.178 3.984 4.170 -0.012 0.000 0.248 260 I C 2.608 178.759 176.117 0.056 0.000 1.111 260 I CA 0.815 62.155 61.300 0.068 0.000 1.382 260 I CB -0.198 37.845 38.000 0.072 0.000 1.060 260 I HN 0.186 nan 8.210 nan 0.000 0.418 261 I N -0.347 120.223 120.570 0.000 0.000 2.252 261 I HA -0.280 3.883 4.170 -0.012 0.000 0.245 261 I C 2.235 178.333 176.117 -0.032 0.000 1.102 261 I CA 1.586 62.852 61.300 -0.056 0.000 1.385 261 I CB -0.413 37.473 38.000 -0.189 0.000 1.064 261 I HN 0.037 nan 8.210 nan 0.000 0.414 262 F N 1.093 121.028 119.950 -0.025 0.000 2.234 262 F HA -0.067 4.453 4.527 -0.013 0.000 0.299 262 F C 2.498 178.337 175.800 0.064 0.000 1.087 262 F CA 1.393 59.416 58.000 0.038 0.000 1.340 262 F CB -0.721 38.270 39.000 -0.015 0.000 1.031 262 F HN 0.018 nan 8.300 nan 0.000 0.500 263 G N 0.606 109.523 108.800 0.195 0.000 2.418 263 G HA2 -0.247 3.705 3.960 -0.012 0.000 0.217 263 G HA3 -0.247 3.705 3.960 -0.012 0.000 0.217 263 G C 1.697 176.650 174.900 0.088 0.000 1.158 263 G CA 1.069 46.237 45.100 0.113 0.000 0.771 263 G HN 0.510 nan 8.290 nan 0.000 0.545 264 I N -2.457 118.170 120.570 0.094 0.000 2.584 264 I HA 0.176 4.338 4.170 -0.012 0.000 0.255 264 I C 2.367 178.527 176.117 0.073 0.000 1.145 264 I CA 0.815 62.161 61.300 0.078 0.000 1.462 264 I CB -0.278 37.771 38.000 0.082 0.000 1.102 264 I HN 0.088 nan 8.210 nan 0.000 0.433 265 F N 2.855 122.779 119.950 -0.044 0.000 2.163 265 F HA 0.154 4.675 4.527 -0.010 0.000 0.297 265 F C 2.302 178.070 175.800 -0.053 0.000 1.094 265 F CA 1.303 59.255 58.000 -0.081 0.000 1.290 265 F CB -0.853 38.056 39.000 -0.152 0.000 1.017 265 F HN 0.120 nan 8.300 nan 0.000 0.483 266 G N 1.248 110.012 108.800 -0.060 0.000 2.802 266 G HA2 -0.337 3.616 3.960 -0.012 0.000 0.222 266 G HA3 -0.337 3.616 3.960 -0.012 0.000 0.222 266 G C -0.591 174.186 174.900 -0.204 0.000 1.248 266 G CA 1.404 46.448 45.100 -0.093 0.000 0.787 266 G HN 0.300 nan 8.290 nan 0.000 0.643 267 P HA -0.099 nan 4.420 nan 0.000 0.214 267 P C 2.062 179.214 177.300 -0.247 0.000 1.163 267 P CA 1.167 64.184 63.100 -0.137 0.000 0.889 267 P CB -0.190 31.469 31.700 -0.069 0.000 0.790 268 I N -2.099 118.274 120.570 -0.329 0.000 2.194 268 I HA -0.290 3.873 4.170 -0.012 0.000 0.246 268 I C 2.286 177.847 176.117 -0.927 0.000 1.093 268 I CA 1.601 62.617 61.300 -0.473 0.000 1.355 268 I CB -0.698 37.048 38.000 -0.423 0.000 1.046 268 I HN -0.111 nan 8.210 nan 0.000 0.413 269 F N 1.867 121.083 119.950 -1.223 0.000 2.234 269 F HA -0.184 4.336 4.527 -0.011 0.000 0.299 269 F C 2.088 177.567 175.800 -0.535 0.000 1.087 269 F CA 1.716 59.025 58.000 -1.153 0.000 1.340 269 F CB -0.572 37.718 39.000 -1.185 0.000 1.031 269 F HN 0.079 nan 8.300 nan 0.000 0.500 270 N N 0.249 118.690 118.700 -0.432 0.000 2.084 270 N HA -0.210 4.523 4.740 -0.012 0.000 0.190 270 N C 1.720 177.098 175.510 -0.221 0.000 1.030 270 N CA 1.456 54.337 53.050 -0.281 0.000 0.849 270 N CB -0.139 38.272 38.487 -0.126 0.000 1.012 270 N HN 0.289 nan 8.380 nan 0.000 0.423 271 K N 0.243 120.538 120.400 -0.174 0.000 2.074 271 K HA -0.179 4.134 4.320 -0.012 0.000 0.209 271 K C 1.696 178.375 176.600 0.130 0.000 1.048 271 K CA 1.413 57.699 56.287 -0.002 0.000 0.926 271 K CB -0.178 32.368 32.500 0.078 0.000 0.713 271 K HN 0.369 nan 8.250 nan 0.000 0.444 272 W N 0.244 121.437 121.300 -0.179 0.000 2.402 272 W HA -0.048 4.604 4.660 -0.014 0.000 0.286 272 W C 2.131 178.539 176.519 -0.186 0.000 1.221 272 W CA -0.274 56.975 57.345 -0.160 0.000 1.257 272 W CB -1.393 27.980 29.460 -0.144 0.000 1.120 272 W HN -0.078 nan 8.180 nan 0.000 0.551 273 V N 1.336 121.180 119.914 -0.115 0.000 2.295 273 V HA -0.276 3.836 4.120 -0.012 0.000 0.246 273 V C 2.103 178.219 176.094 0.037 0.000 1.049 273 V CA 1.900 64.158 62.300 -0.070 0.000 1.024 273 V CB -0.515 31.220 31.823 -0.146 0.000 0.648 273 V HN 0.090 nan 8.190 nan 0.000 0.447 274 L N 0.311 121.547 121.223 0.022 0.000 1.976 274 L HA 0.012 4.345 4.340 -0.012 0.000 0.209 274 L C 2.789 179.685 176.870 0.043 0.000 1.071 274 L CA 1.785 56.648 54.840 0.038 0.000 0.746 274 L CB -1.628 40.448 42.059 0.027 0.000 0.890 274 L HN 0.465 nan 8.230 nan 0.000 0.432 275 G N 0.167 109.000 108.800 0.056 0.000 2.599 275 G HA2 -0.418 3.535 3.960 -0.012 0.000 0.219 275 G HA3 -0.418 3.535 3.960 -0.012 0.000 0.219 275 G C 1.538 176.459 174.900 0.034 0.000 1.193 275 G CA 1.495 46.622 45.100 0.045 0.000 0.778 275 G HN 0.212 nan 8.290 nan 0.000 0.589 276 M N 0.288 119.919 119.600 0.052 0.000 2.267 276 M HA -0.020 4.452 4.480 -0.012 0.000 0.263 276 M C 2.475 178.808 176.300 0.055 0.000 1.063 276 M CA 1.639 56.969 55.300 0.049 0.000 1.090 276 M CB -0.350 32.298 32.600 0.081 0.000 1.392 276 M HN 0.434 nan 8.290 nan 0.000 0.422 277 Q N -0.355 119.482 119.800 0.062 0.000 2.079 277 Q HA -0.181 4.152 4.340 -0.012 0.000 0.200 277 Q C 1.400 177.438 176.000 0.064 0.000 0.974 277 Q CA 1.738 57.586 55.803 0.075 0.000 0.840 277 Q CB 0.048 28.823 28.738 0.062 0.000 0.898 277 Q HN 0.530 nan 8.270 nan 0.000 0.430 278 D N 0.546 120.963 120.400 0.028 0.000 2.075 278 D HA -0.196 4.436 4.640 -0.012 0.000 0.196 278 D C 1.841 178.133 176.300 -0.013 0.000 0.985 278 D CA 0.775 54.776 54.000 0.002 0.000 0.834 278 D CB -0.555 40.237 40.800 -0.013 0.000 0.987 278 D HN 0.238 nan 8.370 nan 0.000 0.452 279 L N 0.775 121.984 121.223 -0.022 0.000 2.129 279 L HA -0.176 4.157 4.340 -0.012 0.000 0.212 279 L C 2.230 179.049 176.870 -0.084 0.000 1.087 279 L CA 1.068 55.879 54.840 -0.049 0.000 0.757 279 L CB -0.217 41.820 42.059 -0.037 0.000 0.896 279 L HN 0.064 nan 8.230 nan 0.000 0.434 280 L N -1.200 119.988 121.223 -0.058 0.000 2.240 280 L HA -0.218 4.114 4.340 -0.012 0.000 0.211 280 L C 2.361 179.015 176.870 -0.359 0.000 1.106 280 L CA 0.773 55.555 54.840 -0.096 0.000 0.793 280 L CB -0.444 41.643 42.059 0.046 0.000 0.927 280 L HN 0.362 nan 8.230 nan 0.000 0.446 281 H N 0.060 118.889 119.070 -0.402 0.000 2.457 281 H HA -0.085 4.464 4.556 -0.012 0.000 0.294 281 H C 2.377 177.214 175.328 -0.818 0.000 1.064 281 H CA 1.363 56.988 56.048 -0.706 0.000 1.330 281 H CB 0.270 29.857 29.762 -0.293 0.000 1.395 281 H HN 0.109 nan 8.280 nan 0.000 0.541 282 R N -0.575 119.696 120.500 -0.382 0.000 2.070 282 R HA -0.107 4.225 4.340 -0.012 0.000 0.232 282 R C 2.295 178.359 176.300 -0.394 0.000 1.138 282 R CA 1.507 57.427 56.100 -0.299 0.000 0.936 282 R CB -0.621 29.583 30.300 -0.159 0.000 0.839 282 R HN 0.169 nan 8.270 nan 0.000 0.429 283 V N 1.432 121.123 119.914 -0.373 0.000 2.428 283 V HA -0.274 3.839 4.120 -0.012 0.000 0.255 283 V C 1.794 177.724 176.094 -0.274 0.000 1.080 283 V CA 2.431 64.572 62.300 -0.265 0.000 1.083 283 V CB -0.779 30.946 31.823 -0.163 0.000 0.665 283 V HN 0.605 nan 8.190 nan 0.000 0.461 284 H N -2.655 116.208 119.070 -0.345 0.000 3.046 284 H HA 0.475 5.024 4.556 -0.012 0.000 0.262 284 H C 1.602 176.723 175.328 -0.345 0.000 1.044 284 H CA 0.447 56.286 56.048 -0.347 0.000 1.209 284 H CB 0.012 29.476 29.762 -0.496 0.000 1.507 284 H HN 0.226 nan 8.280 nan 0.000 0.507 285 G N 0.341 108.802 108.800 -0.566 0.000 2.205 285 G HA2 -0.216 3.736 3.960 -0.012 0.000 0.269 285 G HA3 -0.216 3.736 3.960 -0.012 0.000 0.269 285 G C 1.348 176.106 174.900 -0.238 0.000 0.977 285 G CA 1.075 45.989 45.100 -0.309 0.000 0.652 285 G HN 1.626 nan 8.290 nan 0.000 0.539 286 G N -1.124 107.525 108.800 -0.253 0.000 2.192 286 G HA2 -0.124 3.829 3.960 -0.012 0.000 0.193 286 G HA3 -0.124 3.829 3.960 -0.012 0.000 0.193 286 G C 0.030 175.036 174.900 0.176 0.000 0.999 286 G CA 0.635 45.715 45.100 -0.033 0.000 0.659 286 G HN 1.706 nan 8.290 nan 0.000 0.503 287 N N 0.887 119.661 118.700 0.123 0.000 2.452 287 N HA 0.297 5.030 4.740 -0.012 0.000 0.266 287 N C 1.511 177.138 175.510 0.195 0.000 1.209 287 N CA 0.101 53.229 53.050 0.130 0.000 0.929 287 N CB 0.393 38.927 38.487 0.078 0.000 1.063 287 N HN 0.258 nan 8.380 nan 0.000 0.472 288 I N 2.527 123.207 120.570 0.183 0.000 2.657 288 I HA -0.264 3.899 4.170 -0.012 0.000 0.261 288 I C 0.956 177.182 176.117 0.183 0.000 1.212 288 I CA 1.121 62.536 61.300 0.192 0.000 1.453 288 I CB 0.075 38.154 38.000 0.131 0.000 1.092 288 I HN 0.608 nan 8.210 nan 0.000 0.452 289 T N 0.177 114.813 114.554 0.136 0.000 2.894 289 T HA -0.081 4.262 4.350 -0.012 0.000 0.258 289 T C 1.806 176.565 174.700 0.098 0.000 1.043 289 T CA 0.891 63.052 62.100 0.102 0.000 1.141 289 T CB 0.041 68.949 68.868 0.067 0.000 0.873 289 T HN 0.288 nan 8.240 nan 0.000 0.449 290 K N -0.072 120.387 120.400 0.098 0.000 2.217 290 K HA -0.034 4.279 4.320 -0.012 0.000 0.202 290 K C 1.977 178.638 176.600 0.101 0.000 1.051 290 K CA 0.563 56.899 56.287 0.081 0.000 0.952 290 K CB 0.020 32.560 32.500 0.066 0.000 0.736 290 K HN 0.298 nan 8.250 nan 0.000 0.453 291 W N 1.133 122.378 121.300 -0.093 0.000 2.381 291 W HA -0.141 4.512 4.660 -0.013 0.000 0.321 291 W C 1.794 178.197 176.519 -0.194 0.000 1.196 291 W CA 0.882 58.063 57.345 -0.273 0.000 1.304 291 W CB -0.726 28.500 29.460 -0.389 0.000 1.166 291 W HN -0.249 nan 8.180 nan 0.000 0.473 292 V N 1.323 121.355 119.914 0.197 0.000 2.380 292 V HA -0.323 3.789 4.120 -0.012 0.000 0.251 292 V C 2.412 178.487 176.094 -0.031 0.000 1.063 292 V CA 1.750 64.091 62.300 0.069 0.000 1.055 292 V CB -1.102 30.802 31.823 0.135 0.000 0.657 292 V HN 0.133 nan 8.190 nan 0.000 0.455 293 L N -1.260 119.970 121.223 0.012 0.000 2.056 293 L HA -0.181 4.152 4.340 -0.012 0.000 0.207 293 L C 2.496 179.346 176.870 -0.034 0.000 1.078 293 L CA 1.755 56.593 54.840 -0.003 0.000 0.749 293 L CB -0.476 41.597 42.059 0.023 0.000 0.901 293 L HN 0.327 nan 8.230 nan 0.000 0.433 294 M N -0.188 119.396 119.600 -0.027 0.000 2.175 294 M HA -0.128 4.345 4.480 -0.012 0.000 0.264 294 M C 2.063 178.274 176.300 -0.149 0.000 1.063 294 M CA 1.943 57.225 55.300 -0.031 0.000 1.119 294 M CB -0.392 32.227 32.600 0.031 0.000 1.377 294 M HN 0.314 nan 8.290 nan 0.000 0.415 295 G N -0.728 107.798 108.800 -0.457 0.000 2.404 295 G HA2 -0.152 3.801 3.960 -0.012 0.000 0.215 295 G HA3 -0.152 3.801 3.960 -0.012 0.000 0.215 295 G C 1.395 176.007 174.900 -0.480 0.000 1.174 295 G CA 0.774 45.196 45.100 -1.130 0.000 0.780 295 G HN 0.585 nan 8.290 nan 0.000 0.537 296 G N 0.944 109.563 108.800 -0.301 0.000 2.462 296 G HA2 0.038 3.991 3.960 -0.012 0.000 0.220 296 G HA3 0.038 3.991 3.960 -0.012 0.000 0.220 296 G C 1.908 176.751 174.900 -0.095 0.000 1.121 296 G CA 1.584 46.613 45.100 -0.118 0.000 0.758 296 G HN 0.664 nan 8.290 nan 0.000 0.559 297 A N 0.647 123.447 122.820 -0.034 0.000 1.874 297 A HA 0.206 4.519 4.320 -0.012 0.000 0.214 297 A C 2.358 179.936 177.584 -0.010 0.000 1.189 297 A CA 0.971 53.052 52.037 0.073 0.000 0.615 297 A CB -0.235 18.841 19.000 0.127 0.000 0.830 297 A HN 0.331 nan 8.150 nan 0.000 0.443 298 I N 0.059 120.621 120.570 -0.013 0.000 2.179 298 I HA -0.198 3.965 4.170 -0.012 0.000 0.242 298 I C 2.710 178.815 176.117 -0.020 0.000 1.088 298 I CA 1.168 62.483 61.300 0.024 0.000 1.357 298 I CB -0.741 37.313 38.000 0.089 0.000 1.051 298 I HN 0.374 nan 8.210 nan 0.000 0.409 299 G N 0.752 109.525 108.800 -0.045 0.000 2.459 299 G HA2 -0.216 3.737 3.960 -0.012 0.000 0.217 299 G HA3 -0.216 3.737 3.960 -0.012 0.000 0.217 299 G C 1.760 176.508 174.900 -0.254 0.000 1.183 299 G CA 0.903 45.965 45.100 -0.063 0.000 0.776 299 G HN 0.495 nan 8.290 nan 0.000 0.552 300 G N 0.739 109.198 108.800 -0.568 0.000 2.442 300 G HA2 -0.168 3.785 3.960 -0.012 0.000 0.219 300 G HA3 -0.168 3.785 3.960 -0.012 0.000 0.219 300 G C 1.775 176.115 174.900 -0.932 0.000 1.141 300 G CA 1.118 45.399 45.100 -1.364 0.000 0.763 300 G HN 0.469 nan 8.290 nan 0.000 0.554 301 L N 0.452 121.440 121.223 -0.392 0.000 2.083 301 L HA -0.042 4.291 4.340 -0.012 0.000 0.209 301 L C 2.660 179.534 176.870 0.006 0.000 1.083 301 L CA 1.691 56.532 54.840 0.002 0.000 0.752 301 L CB -0.728 41.382 42.059 0.085 0.000 0.899 301 L HN 0.238 nan 8.230 nan 0.000 0.433 302 C N -0.113 119.165 119.300 -0.037 0.000 2.466 302 C HA 0.067 4.520 4.460 -0.012 0.000 0.278 302 C C 2.745 177.748 174.990 0.022 0.000 1.288 302 C CA 0.519 59.545 59.018 0.015 0.000 1.722 302 C CB -1.791 25.963 27.740 0.022 0.000 2.017 302 C HN 0.749 nan 8.230 nan 0.000 0.488 303 G N 0.126 108.908 108.800 -0.029 0.000 2.443 303 G HA2 -0.139 3.814 3.960 -0.012 0.000 0.219 303 G HA3 -0.139 3.814 3.960 -0.012 0.000 0.219 303 G C 1.518 176.449 174.900 0.052 0.000 1.131 303 G CA 0.715 45.813 45.100 -0.003 0.000 0.775 303 G HN 0.480 nan 8.290 nan 0.000 0.547 304 L N 0.326 121.588 121.223 0.066 0.000 1.973 304 L HA 0.138 4.471 4.340 -0.012 0.000 0.208 304 L C 2.732 179.722 176.870 0.201 0.000 1.073 304 L CA 1.315 56.242 54.840 0.143 0.000 0.746 304 L CB -0.422 41.760 42.059 0.205 0.000 0.891 304 L HN 0.139 nan 8.230 nan 0.000 0.433 305 L N -0.138 121.184 121.223 0.164 0.000 2.189 305 L HA -0.183 4.150 4.340 -0.012 0.000 0.214 305 L C 2.024 178.994 176.870 0.166 0.000 1.097 305 L CA 1.082 56.020 54.840 0.164 0.000 0.764 305 L CB -1.238 40.893 42.059 0.120 0.000 0.900 305 L HN 0.557 nan 8.230 nan 0.000 0.436 306 G N -1.919 106.976 108.800 0.158 0.000 3.186 306 G HA2 -0.120 3.833 3.960 -0.012 0.000 0.214 306 G HA3 -0.120 3.833 3.960 -0.012 0.000 0.214 306 G C 0.693 175.732 174.900 0.232 0.000 1.222 306 G CA 0.043 45.236 45.100 0.155 0.000 0.921 306 G HN 0.377 nan 8.290 nan 0.000 0.504 307 F N -0.793 119.201 119.950 0.074 0.000 1.868 307 F HA 0.088 4.610 4.527 -0.008 0.000 0.245 307 F C 2.084 177.944 175.800 0.100 0.000 1.114 307 F CA 0.731 58.776 58.000 0.076 0.000 1.261 307 F CB -0.065 38.969 39.000 0.057 0.000 1.620 307 F HN 0.003 nan 8.300 nan 0.000 0.567 308 V N 0.137 120.187 119.914 0.225 0.000 2.626 308 V HA 0.350 4.463 4.120 -0.012 0.000 0.252 308 V C 0.772 176.915 176.094 0.082 0.000 1.067 308 V CA 1.472 63.858 62.300 0.142 0.000 1.081 308 V CB -0.897 31.094 31.823 0.280 0.000 0.686 308 V HN 0.692 nan 8.190 nan 0.000 0.468 309 A N -0.675 122.217 122.820 0.120 0.000 3.368 309 A HA 0.612 4.925 4.320 -0.012 0.000 0.211 309 A C -1.393 176.280 177.584 0.147 0.000 1.004 309 A CA -0.150 51.980 52.037 0.156 0.000 1.059 309 A CB 0.043 19.198 19.000 0.258 0.000 1.298 309 A HN 0.390 nan 8.150 nan 0.000 0.613 310 P HA -0.269 nan 4.420 nan 0.000 0.217 310 P C 1.789 179.155 177.300 0.109 0.000 1.151 310 P CA 2.266 65.430 63.100 0.107 0.000 0.849 310 P CB 0.215 31.968 31.700 0.089 0.000 0.787 311 A N -0.743 122.156 122.820 0.132 0.000 2.148 311 A HA -0.200 4.113 4.320 -0.012 0.000 0.222 311 A C 1.929 179.535 177.584 0.037 0.000 1.161 311 A CA 2.283 54.383 52.037 0.105 0.000 0.662 311 A CB -1.703 17.364 19.000 0.112 0.000 0.799 311 A HN 0.409 nan 8.150 nan 0.000 0.466 312 T N -4.637 109.944 114.554 0.045 0.000 3.054 312 T HA 0.399 4.742 4.350 -0.012 0.000 0.255 312 T C 0.700 175.403 174.700 0.005 0.000 1.035 312 T CA 0.573 62.659 62.100 -0.023 0.000 0.941 312 T CB 0.097 68.940 68.868 -0.042 0.000 1.026 312 T HN 0.293 nan 8.240 nan 0.000 0.533 313 S N -0.425 115.298 115.700 0.039 0.000 2.998 313 S HA 0.744 5.207 4.470 -0.012 0.000 0.307 313 S C 0.582 175.206 174.600 0.041 0.000 1.063 313 S CA 0.315 58.542 58.200 0.045 0.000 0.895 313 S CB 0.890 64.130 63.200 0.067 0.000 1.362 313 S HN 1.355 nan 8.310 nan 0.000 0.657 314 G N -0.162 108.666 108.800 0.047 0.000 2.915 314 G HA2 -0.061 3.892 3.960 -0.012 0.000 0.337 314 G HA3 -0.061 3.892 3.960 -0.012 0.000 0.337 314 G C 0.842 175.749 174.900 0.012 0.000 1.477 314 G CA 0.091 45.216 45.100 0.043 0.000 0.916 314 G HN 1.526 nan 8.290 nan 0.000 0.550 315 G N -1.316 107.479 108.800 -0.009 0.000 2.408 315 G HA2 0.417 4.369 3.960 -0.012 0.000 0.217 315 G HA3 0.417 4.369 3.960 -0.012 0.000 0.217 315 G C 1.827 176.628 174.900 -0.164 0.000 1.150 315 G CA 2.039 47.084 45.100 -0.092 0.000 0.776 315 G HN 2.673 nan 8.290 nan 0.000 0.542 316 G N -1.014 107.722 108.800 -0.107 0.000 2.296 316 G HA2 -0.225 3.728 3.960 -0.012 0.000 0.188 316 G HA3 -0.225 3.728 3.960 -0.012 0.000 0.188 316 G C 1.127 176.039 174.900 0.019 0.000 1.000 316 G CA 0.309 45.363 45.100 -0.076 0.000 0.672 316 G HN 0.345 nan 8.290 nan 0.000 0.483 317 F N 1.566 121.556 119.950 0.066 0.000 2.161 317 F HA -0.118 4.402 4.527 -0.013 0.000 0.300 317 F C 2.604 178.446 175.800 0.069 0.000 1.089 317 F CA 1.343 59.379 58.000 0.061 0.000 1.282 317 F CB -0.067 38.981 39.000 0.079 0.000 1.010 317 F HN 0.152 nan 8.300 nan 0.000 0.485 318 N N 0.868 119.727 118.700 0.263 0.000 2.084 318 N HA -0.150 4.583 4.740 -0.012 0.000 0.190 318 N C 1.685 177.307 175.510 0.186 0.000 1.030 318 N CA 1.418 54.584 53.050 0.193 0.000 0.849 318 N CB -0.744 37.838 38.487 0.157 0.000 1.012 318 N HN 0.285 nan 8.380 nan 0.000 0.423 319 L N -1.257 120.087 121.223 0.203 0.000 2.552 319 L HA 0.239 4.572 4.340 -0.012 0.000 0.227 319 L C 1.557 178.580 176.870 0.254 0.000 1.146 319 L CA 0.839 55.842 54.840 0.272 0.000 0.858 319 L CB -0.642 41.583 42.059 0.277 0.000 0.969 319 L HN 0.036 nan 8.230 nan 0.000 0.451 320 I N 0.742 121.430 120.570 0.197 0.000 2.076 320 I HA -0.156 4.007 4.170 -0.012 0.000 0.237 320 I C 0.053 176.256 176.117 0.144 0.000 1.059 320 I CA 1.531 62.931 61.300 0.167 0.000 1.317 320 I CB -1.808 36.288 38.000 0.161 0.000 1.037 320 I HN 0.273 nan 8.210 nan 0.000 0.398 321 P HA -0.168 nan 4.420 nan 0.000 0.216 321 P C 1.896 179.234 177.300 0.064 0.000 1.153 321 P CA 1.657 64.800 63.100 0.073 0.000 0.858 321 P CB -0.057 31.675 31.700 0.054 0.000 0.789 322 I N -0.608 120.004 120.570 0.070 0.000 2.099 322 I HA -0.285 3.878 4.170 -0.012 0.000 0.239 322 I C 2.385 178.516 176.117 0.024 0.000 1.066 322 I CA 1.785 63.063 61.300 -0.036 0.000 1.324 322 I CB -1.114 36.816 38.000 -0.118 0.000 1.037 322 I HN -0.078 nan 8.210 nan 0.000 0.401 323 A N 0.623 123.629 122.820 0.310 0.000 1.908 323 A HA -0.209 4.104 4.320 -0.012 0.000 0.218 323 A C 2.386 180.093 177.584 0.206 0.000 1.181 323 A CA 2.567 54.842 52.037 0.398 0.000 0.627 323 A CB -1.202 18.028 19.000 0.383 0.000 0.818 323 A HN 0.439 nan 8.150 nan 0.000 0.445 324 T N 0.380 115.024 114.554 0.150 0.000 2.788 324 T HA -0.023 4.320 4.350 -0.012 0.000 0.268 324 T C 2.088 176.840 174.700 0.087 0.000 1.044 324 T CA 1.505 63.673 62.100 0.112 0.000 1.139 324 T CB -0.395 68.523 68.868 0.084 0.000 0.867 324 T HN 0.598 nan 8.240 nan 0.000 0.454 325 A N 0.526 123.383 122.820 0.061 0.000 2.066 325 A HA 0.433 4.745 4.320 -0.012 0.000 0.218 325 A C 1.918 179.522 177.584 0.034 0.000 1.157 325 A CA 1.097 53.154 52.037 0.034 0.000 0.670 325 A CB -0.774 18.227 19.000 0.003 0.000 0.804 325 A HN 0.898 nan 8.150 nan 0.000 0.453 326 G N -0.791 108.041 108.800 0.053 0.000 2.164 326 G HA2 -0.221 3.731 3.960 -0.012 0.000 0.212 326 G HA3 -0.221 3.731 3.960 -0.012 0.000 0.212 326 G C 0.114 175.024 174.900 0.017 0.000 1.031 326 G CA 0.284 45.420 45.100 0.061 0.000 0.730 326 G HN 0.601 nan 8.290 nan 0.000 0.501 327 N N -0.847 117.818 118.700 -0.058 0.000 2.270 327 N HA 0.341 5.074 4.740 -0.012 0.000 0.198 327 N C -0.276 175.102 175.510 -0.221 0.000 1.117 327 N CA -0.195 52.758 53.050 -0.163 0.000 0.845 327 N CB 0.290 38.623 38.487 -0.255 0.000 0.980 327 N HN 0.307 nan 8.380 nan 0.000 0.486 328 F N 0.948 120.919 119.950 0.034 0.000 2.458 328 F HA 0.302 4.819 4.527 -0.017 0.000 0.330 328 F C 0.895 176.710 175.800 0.026 0.000 1.082 328 F CA -1.490 56.532 58.000 0.037 0.000 0.995 328 F CB 1.223 40.257 39.000 0.056 0.000 1.170 328 F HN -0.166 nan 8.300 nan 0.000 0.478 329 S N 2.410 118.261 115.700 0.251 0.000 2.580 329 S HA 0.187 4.649 4.470 -0.012 0.000 0.274 329 S C 1.124 175.787 174.600 0.104 0.000 1.329 329 S CA -0.736 57.541 58.200 0.127 0.000 1.036 329 S CB 0.981 64.232 63.200 0.085 0.000 0.919 329 S HN 0.788 nan 8.310 nan 0.000 0.515 330 M N 3.649 123.281 119.600 0.053 0.000 2.108 330 M HA -0.012 4.461 4.480 -0.012 0.000 0.257 330 M C 1.912 178.228 176.300 0.026 0.000 1.071 330 M CA 2.330 57.643 55.300 0.022 0.000 1.093 330 M CB -1.467 31.127 32.600 -0.010 0.000 1.345 330 M HN 0.969 nan 8.290 nan 0.000 0.403 331 G N -0.274 108.545 108.800 0.032 0.000 2.514 331 G HA2 -0.308 3.645 3.960 -0.012 0.000 0.217 331 G HA3 -0.308 3.645 3.960 -0.012 0.000 0.217 331 G C 1.462 176.406 174.900 0.072 0.000 1.198 331 G CA 1.356 46.479 45.100 0.038 0.000 0.780 331 G HN 0.511 nan 8.290 nan 0.000 0.565 332 M N 0.377 120.024 119.600 0.078 0.000 2.149 332 M HA 0.101 4.574 4.480 -0.012 0.000 0.261 332 M C 2.379 178.705 176.300 0.043 0.000 1.064 332 M CA 1.163 56.521 55.300 0.097 0.000 1.102 332 M CB -0.387 32.298 32.600 0.141 0.000 1.369 332 M HN 0.210 nan 8.290 nan 0.000 0.408 333 L N -1.720 119.500 121.223 -0.005 0.000 2.046 333 L HA -0.192 4.140 4.340 -0.012 0.000 0.208 333 L C 2.257 179.134 176.870 0.011 0.000 1.077 333 L CA 0.824 55.633 54.840 -0.053 0.000 0.747 333 L CB -0.917 41.131 42.059 -0.017 0.000 0.896 333 L HN 0.124 nan 8.230 nan 0.000 0.432 334 V N -0.201 119.733 119.914 0.033 0.000 2.343 334 V HA -0.332 3.781 4.120 -0.012 0.000 0.247 334 V C 2.237 178.406 176.094 0.124 0.000 1.051 334 V CA 2.116 64.444 62.300 0.045 0.000 1.036 334 V CB -0.579 31.263 31.823 0.032 0.000 0.654 334 V HN 0.381 nan 8.190 nan 0.000 0.451 335 F N 0.419 120.370 119.950 0.002 0.000 2.102 335 F HA -0.182 4.341 4.527 -0.005 0.000 0.298 335 F C 2.152 177.957 175.800 0.009 0.000 1.105 335 F CA 1.848 59.855 58.000 0.011 0.000 1.239 335 F CB -0.164 38.833 39.000 -0.006 0.000 0.991 335 F HN 0.046 nan 8.300 nan 0.000 0.474 336 I N -0.587 119.929 120.570 -0.091 0.000 2.163 336 I HA -0.310 3.853 4.170 -0.012 0.000 0.243 336 I C 2.305 178.315 176.117 -0.179 0.000 1.085 336 I CA 1.564 62.725 61.300 -0.231 0.000 1.347 336 I CB -0.657 37.229 38.000 -0.189 0.000 1.044 336 I HN 0.201 nan 8.210 nan 0.000 0.408 337 F N 1.225 121.053 119.950 -0.203 0.000 2.046 337 F HA -0.265 4.255 4.527 -0.013 0.000 0.297 337 F C 2.459 178.173 175.800 -0.144 0.000 1.123 337 F CA 1.893 59.788 58.000 -0.174 0.000 1.199 337 F CB -0.440 38.457 39.000 -0.172 0.000 0.972 337 F HN -0.237 nan 8.300 nan 0.000 0.474 338 V N 0.471 120.448 119.914 0.105 0.000 2.231 338 V HA -0.409 3.703 4.120 -0.012 0.000 0.250 338 V C 2.675 178.694 176.094 -0.124 0.000 1.058 338 V CA 2.184 64.499 62.300 0.024 0.000 1.022 338 V CB -1.639 30.201 31.823 0.029 0.000 0.640 338 V HN 0.506 nan 8.190 nan 0.000 0.445 339 A N -0.478 122.162 122.820 -0.300 0.000 1.933 339 A HA -0.222 4.091 4.320 -0.012 0.000 0.218 339 A C 2.358 179.829 177.584 -0.189 0.000 1.175 339 A CA 1.870 53.717 52.037 -0.316 0.000 0.628 339 A CB -0.470 18.159 19.000 -0.619 0.000 0.814 339 A HN 0.552 nan 8.150 nan 0.000 0.444 340 R N -0.894 119.476 120.500 -0.218 0.000 2.093 340 R HA 0.008 4.341 4.340 -0.012 0.000 0.224 340 R C 1.999 178.225 176.300 -0.123 0.000 1.101 340 R CA 1.080 57.080 56.100 -0.167 0.000 0.979 340 R CB -0.515 29.661 30.300 -0.206 0.000 0.877 340 R HN 0.378 nan 8.270 nan 0.000 0.441 341 V N 1.791 121.598 119.914 -0.177 0.000 2.324 341 V HA -0.279 3.833 4.120 -0.012 0.000 0.250 341 V C 2.264 178.459 176.094 0.168 0.000 1.060 341 V CA 1.830 64.144 62.300 0.024 0.000 1.042 341 V CB -0.364 31.517 31.823 0.097 0.000 0.650 341 V HN 0.269 nan 8.190 nan 0.000 0.450 342 I N 0.479 121.101 120.570 0.087 0.000 2.202 342 I HA -0.201 3.962 4.170 -0.012 0.000 0.242 342 I C 2.632 178.804 176.117 0.092 0.000 1.091 342 I CA 1.977 63.333 61.300 0.094 0.000 1.368 342 I CB -0.691 37.334 38.000 0.043 0.000 1.058 342 I HN 0.469 nan 8.210 nan 0.000 0.410 343 T N -2.288 112.299 114.554 0.056 0.000 2.915 343 T HA -0.097 4.246 4.350 -0.012 0.000 0.269 343 T C 1.745 176.509 174.700 0.106 0.000 1.071 343 T CA 1.538 63.679 62.100 0.069 0.000 1.132 343 T CB -0.680 68.210 68.868 0.035 0.000 0.878 343 T HN 0.240 nan 8.240 nan 0.000 0.479 344 T N 2.534 117.157 114.554 0.116 0.000 2.732 344 T HA 0.158 4.501 4.350 -0.012 0.000 0.261 344 T C 1.951 176.797 174.700 0.245 0.000 1.040 344 T CA 0.890 63.089 62.100 0.165 0.000 1.145 344 T CB -0.507 68.455 68.868 0.158 0.000 0.866 344 T HN 0.250 nan 8.240 nan 0.000 0.427 345 L N 0.455 121.832 121.223 0.257 0.000 1.971 345 L HA -0.126 4.207 4.340 -0.012 0.000 0.215 345 L C 2.539 179.535 176.870 0.210 0.000 1.072 345 L CA 1.001 55.978 54.840 0.228 0.000 0.758 345 L CB -0.749 41.438 42.059 0.213 0.000 0.889 345 L HN 0.186 nan 8.230 nan 0.000 0.433 346 L N -0.481 120.845 121.223 0.172 0.000 2.051 346 L HA -0.291 4.042 4.340 -0.012 0.000 0.214 346 L C 2.511 179.496 176.870 0.190 0.000 1.076 346 L CA 1.807 56.740 54.840 0.155 0.000 0.758 346 L CB -0.744 41.389 42.059 0.123 0.000 0.890 346 L HN 0.387 nan 8.230 nan 0.000 0.433 347 C N -2.369 117.056 119.300 0.208 0.000 2.500 347 C HA -0.075 4.378 4.460 -0.012 0.000 0.279 347 C C 2.555 177.694 174.990 0.250 0.000 1.288 347 C CA 0.278 59.433 59.018 0.228 0.000 1.710 347 C CB -0.901 26.960 27.740 0.202 0.000 2.052 347 C HN 0.588 nan 8.230 nan 0.000 0.488 348 F N 1.863 121.886 119.950 0.123 0.000 2.118 348 F HA -0.043 4.477 4.527 -0.012 0.000 0.293 348 F C 2.538 178.408 175.800 0.117 0.000 1.102 348 F CA 1.799 59.862 58.000 0.105 0.000 1.247 348 F CB -0.648 38.413 39.000 0.102 0.000 1.017 348 F HN 0.043 nan 8.300 nan 0.000 0.475 349 S N 0.068 115.877 115.700 0.181 0.000 2.380 349 S HA -0.293 4.170 4.470 -0.012 0.000 0.229 349 S C 2.219 176.873 174.600 0.090 0.000 1.043 349 S CA 1.700 59.950 58.200 0.082 0.000 1.038 349 S CB -0.984 62.300 63.200 0.140 0.000 0.872 349 S HN 0.629 nan 8.310 nan 0.000 0.456 350 S N 0.973 116.779 115.700 0.177 0.000 2.465 350 S HA 0.014 4.477 4.470 -0.012 0.000 0.241 350 S C 1.613 176.442 174.600 0.380 0.000 1.000 350 S CA 1.352 59.752 58.200 0.333 0.000 0.964 350 S CB -0.920 62.516 63.200 0.393 0.000 0.763 350 S HN 1.052 nan 8.310 nan 0.000 0.512 351 G N 0.739 109.579 108.800 0.067 0.000 2.153 351 G HA2 -0.124 3.829 3.960 -0.012 0.000 0.252 351 G HA3 -0.124 3.829 3.960 -0.012 0.000 0.252 351 G C 0.348 175.085 174.900 -0.271 0.000 0.994 351 G CA 0.281 45.323 45.100 -0.097 0.000 0.698 351 G HN 1.515 nan 8.290 nan 0.000 0.521 352 A N 0.693 123.296 122.820 -0.362 0.000 2.613 352 A HA 0.456 4.769 4.320 -0.012 0.000 0.230 352 A C -0.924 176.429 177.584 -0.384 0.000 1.051 352 A CA 0.385 51.986 52.037 -0.727 0.000 0.754 352 A CB 0.104 18.810 19.000 -0.490 0.000 0.979 352 A HN 0.402 nan 8.150 nan 0.000 0.510 353 P HA 0.408 nan 4.420 nan 0.000 0.270 353 P C 0.141 177.415 177.300 -0.043 0.000 1.242 353 P CA 0.959 63.962 63.100 -0.163 0.000 0.768 353 P CB 0.479 32.102 31.700 -0.128 0.000 0.820 354 G N 1.843 110.657 108.800 0.024 0.000 2.358 354 G HA2 0.464 4.417 3.960 -0.012 0.000 0.301 354 G HA3 0.464 4.417 3.960 -0.012 0.000 0.301 354 G C -0.829 174.204 174.900 0.222 0.000 1.539 354 G CA -0.349 44.820 45.100 0.114 0.000 0.893 354 G HN 0.563 nan 8.290 nan 0.000 0.636 355 G N -1.237 107.680 108.800 0.195 0.000 2.511 355 G HA2 0.612 4.564 3.960 -0.012 0.000 0.316 355 G HA3 0.612 4.564 3.960 -0.012 0.000 0.316 355 G C 0.404 175.376 174.900 0.119 0.000 1.210 355 G CA -0.275 44.951 45.100 0.211 0.000 0.969 355 G HN 1.147 nan 8.290 nan 0.000 0.492 356 I N -0.942 119.570 120.570 -0.097 0.000 4.338 356 I HA 0.303 4.465 4.170 -0.012 0.000 0.329 356 I C 1.236 177.295 176.117 -0.097 0.000 1.378 356 I CA -0.383 60.727 61.300 -0.316 0.000 1.170 356 I CB 0.186 37.532 38.000 -1.090 0.000 1.206 356 I HN 0.525 nan 8.210 nan 0.000 0.432 357 F N 1.697 121.576 119.950 -0.119 0.000 2.075 357 F HA -0.193 4.326 4.527 -0.012 0.000 0.297 357 F C 2.470 178.265 175.800 -0.010 0.000 1.113 357 F CA 2.358 60.337 58.000 -0.036 0.000 1.218 357 F CB -0.128 38.887 39.000 0.023 0.000 0.984 357 F HN 0.147 nan 8.300 nan 0.000 0.472 358 A N 0.214 123.197 122.820 0.272 0.000 1.858 358 A HA -0.105 4.208 4.320 -0.012 0.000 0.216 358 A C -0.251 177.235 177.584 -0.164 0.000 1.190 358 A CA 1.698 53.749 52.037 0.022 0.000 0.617 358 A CB -2.144 16.795 19.000 -0.102 0.000 0.827 358 A HN 0.276 nan 8.150 nan 0.000 0.443 359 P HA -0.177 nan 4.420 nan 0.000 0.218 359 P C 1.514 178.720 177.300 -0.157 0.000 1.146 359 P CA 1.375 64.395 63.100 -0.133 0.000 0.820 359 P CB -0.180 31.475 31.700 -0.074 0.000 0.778 360 M N -2.159 117.338 119.600 -0.173 0.000 2.319 360 M HA -0.081 4.392 4.480 -0.012 0.000 0.265 360 M C 1.848 178.037 176.300 -0.186 0.000 1.068 360 M CA 1.353 56.523 55.300 -0.217 0.000 1.118 360 M CB -0.569 31.870 32.600 -0.268 0.000 1.395 360 M HN -0.027 nan 8.290 nan 0.000 0.435 361 L N -0.381 120.735 121.223 -0.179 0.000 2.005 361 L HA -0.143 4.190 4.340 -0.012 0.000 0.207 361 L C 2.853 179.681 176.870 -0.069 0.000 1.072 361 L CA 1.282 56.041 54.840 -0.136 0.000 0.744 361 L CB -1.032 40.956 42.059 -0.119 0.000 0.895 361 L HN 0.256 nan 8.230 nan 0.000 0.433 362 A N 0.612 123.387 122.820 -0.075 0.000 1.869 362 A HA -0.247 4.066 4.320 -0.012 0.000 0.218 362 A C 2.258 179.830 177.584 -0.019 0.000 1.203 362 A CA 2.094 54.109 52.037 -0.035 0.000 0.638 362 A CB -1.116 17.843 19.000 -0.069 0.000 0.831 362 A HN 0.371 nan 8.150 nan 0.000 0.450 363 L N -0.628 120.542 121.223 -0.090 0.000 2.081 363 L HA -0.170 4.162 4.340 -0.012 0.000 0.212 363 L C 2.837 179.806 176.870 0.165 0.000 1.080 363 L CA 1.204 55.987 54.840 -0.095 0.000 0.754 363 L CB -0.983 40.867 42.059 -0.348 0.000 0.893 363 L HN 0.522 nan 8.230 nan 0.000 0.433 364 G N -0.562 108.329 108.800 0.152 0.000 2.446 364 G HA2 -0.248 3.705 3.960 -0.012 0.000 0.217 364 G HA3 -0.248 3.705 3.960 -0.012 0.000 0.217 364 G C 1.548 176.623 174.900 0.291 0.000 1.168 364 G CA 1.349 46.638 45.100 0.314 0.000 0.771 364 G HN 0.331 nan 8.290 nan 0.000 0.551 365 T N 1.023 115.659 114.554 0.137 0.000 2.595 365 T HA -0.160 4.182 4.350 -0.012 0.000 0.264 365 T C 2.466 177.270 174.700 0.173 0.000 1.058 365 T CA 1.484 63.663 62.100 0.131 0.000 1.166 365 T CB -0.656 68.272 68.868 0.100 0.000 0.863 365 T HN 0.021 nan 8.240 nan 0.000 0.415 366 V N 1.629 121.639 119.914 0.161 0.000 2.250 366 V HA -0.175 3.938 4.120 -0.012 0.000 0.250 366 V C 2.482 178.647 176.094 0.119 0.000 1.060 366 V CA 1.695 64.081 62.300 0.144 0.000 1.030 366 V CB -0.804 31.108 31.823 0.149 0.000 0.643 366 V HN 0.297 nan 8.190 nan 0.000 0.445 367 L N 1.188 122.491 121.223 0.134 0.000 1.989 367 L HA -0.102 4.231 4.340 -0.012 0.000 0.211 367 L C 2.428 179.347 176.870 0.081 0.000 1.071 367 L CA 2.598 57.380 54.840 -0.097 0.000 0.749 367 L CB -1.600 40.297 42.059 -0.270 0.000 0.890 367 L HN 0.308 nan 8.230 nan 0.000 0.431 368 G N -1.973 106.994 108.800 0.277 0.000 2.469 368 G HA2 -0.313 3.640 3.960 -0.012 0.000 0.219 368 G HA3 -0.313 3.640 3.960 -0.012 0.000 0.219 368 G C 1.398 176.476 174.900 0.296 0.000 1.150 368 G CA 1.460 46.757 45.100 0.328 0.000 0.763 368 G HN 0.475 nan 8.290 nan 0.000 0.561 369 T N 1.955 116.636 114.554 0.212 0.000 2.555 369 T HA -0.093 4.250 4.350 -0.012 0.000 0.264 369 T C 2.821 177.587 174.700 0.109 0.000 1.083 369 T CA 2.146 64.350 62.100 0.174 0.000 1.179 369 T CB -0.809 68.154 68.868 0.160 0.000 0.863 369 T HN 0.427 nan 8.240 nan 0.000 0.412 370 A N 1.027 123.882 122.820 0.058 0.000 1.971 370 A HA -0.174 4.138 4.320 -0.012 0.000 0.222 370 A C 2.046 179.613 177.584 -0.029 0.000 1.182 370 A CA 2.100 54.128 52.037 -0.015 0.000 0.649 370 A CB -1.139 17.808 19.000 -0.089 0.000 0.818 370 A HN 0.501 nan 8.150 nan 0.000 0.458 371 F N 0.783 120.657 119.950 -0.127 0.000 2.051 371 F HA 0.032 4.552 4.527 -0.011 0.000 0.296 371 F C 2.413 178.042 175.800 -0.285 0.000 1.122 371 F CA 1.734 59.624 58.000 -0.184 0.000 1.201 371 F CB -0.984 37.940 39.000 -0.127 0.000 0.978 371 F HN 0.216 nan 8.300 nan 0.000 0.472 372 G N 1.187 109.883 108.800 -0.174 0.000 2.556 372 G HA2 -0.362 3.591 3.960 -0.012 0.000 0.220 372 G HA3 -0.362 3.591 3.960 -0.012 0.000 0.220 372 G C 1.675 176.367 174.900 -0.345 0.000 1.156 372 G CA 1.501 46.354 45.100 -0.412 0.000 0.766 372 G HN 0.419 nan 8.290 nan 0.000 0.583 373 M N -0.141 119.354 119.600 -0.174 0.000 2.163 373 M HA -0.164 4.309 4.480 -0.012 0.000 0.258 373 M C 2.755 178.913 176.300 -0.236 0.000 1.071 373 M CA 1.750 56.962 55.300 -0.146 0.000 1.093 373 M CB -1.013 31.537 32.600 -0.084 0.000 1.285 373 M HN 0.150 nan 8.290 nan 0.000 0.420 374 V N 0.531 120.267 119.914 -0.296 0.000 2.392 374 V HA -0.275 3.838 4.120 -0.012 0.000 0.249 374 V C 2.691 178.530 176.094 -0.426 0.000 1.059 374 V CA 1.984 64.085 62.300 -0.332 0.000 1.051 374 V CB -1.548 30.071 31.823 -0.340 0.000 0.658 374 V HN 0.567 nan 8.190 nan 0.000 0.455 375 A N -0.271 122.169 122.820 -0.634 0.000 1.902 375 A HA -0.157 4.155 4.320 -0.012 0.000 0.217 375 A C 2.437 179.875 177.584 -0.244 0.000 1.181 375 A CA 2.046 53.729 52.037 -0.590 0.000 0.623 375 A CB -0.708 17.566 19.000 -1.210 0.000 0.818 375 A HN 0.322 nan 8.150 nan 0.000 0.443 376 V N 0.905 120.669 119.914 -0.250 0.000 2.255 376 V HA -0.318 3.794 4.120 -0.012 0.000 0.247 376 V C 2.642 178.661 176.094 -0.125 0.000 1.051 376 V CA 2.629 64.868 62.300 -0.103 0.000 1.018 376 V CB -0.815 30.964 31.823 -0.073 0.000 0.641 376 V HN 0.956 nan 8.190 nan 0.000 0.445 377 E N -0.122 119.967 120.200 -0.186 0.000 2.285 377 E HA -0.122 4.221 4.350 -0.012 0.000 0.194 377 E C 1.976 178.385 176.600 -0.319 0.000 0.997 377 E CA 1.016 57.294 56.400 -0.203 0.000 0.845 377 E CB -0.392 29.205 29.700 -0.171 0.000 0.782 377 E HN 0.544 nan 8.360 nan 0.000 0.491 378 L N -0.307 120.629 121.223 -0.478 0.000 2.275 378 L HA 0.046 4.379 4.340 -0.012 0.000 0.215 378 L C 0.111 176.220 176.870 -1.268 0.000 1.119 378 L CA 0.631 54.913 54.840 -0.929 0.000 0.790 378 L CB 0.053 41.361 42.059 -1.252 0.000 0.919 378 L HN 0.141 nan 8.230 nan 0.000 0.443 379 F N -1.276 118.562 119.950 -0.188 0.000 2.931 379 F HA 0.297 4.818 4.527 -0.011 0.000 0.375 379 F C -1.860 173.801 175.800 -0.232 0.000 1.243 379 F CA -1.466 56.364 58.000 -0.282 0.000 1.206 379 F CB 0.659 39.438 39.000 -0.369 0.000 1.643 379 F HN -0.228 nan 8.300 nan 0.000 0.593 380 P HA -0.150 nan 4.420 nan 0.000 0.227 380 P C 1.176 178.301 177.300 -0.292 0.000 1.161 380 P CA 0.956 63.945 63.100 -0.185 0.000 0.788 380 P CB 0.306 31.897 31.700 -0.182 0.000 0.822 381 Q N -0.741 118.935 119.800 -0.207 0.000 2.488 381 Q HA -0.129 4.203 4.340 -0.012 0.000 0.211 381 Q C 1.456 177.548 176.000 0.152 0.000 0.967 381 Q CA 1.135 56.872 55.803 -0.110 0.000 0.926 381 Q CB -1.147 27.541 28.738 -0.085 0.000 0.992 381 Q HN 0.427 nan 8.270 nan 0.000 0.506 382 Y N 0.157 120.528 120.300 0.117 0.000 2.476 382 Y HA 0.006 4.549 4.550 -0.013 0.000 0.283 382 Y C -0.055 176.019 175.900 0.290 0.000 1.109 382 Y CA -0.094 58.129 58.100 0.204 0.000 1.246 382 Y CB 0.165 38.717 38.460 0.154 0.000 1.068 382 Y HN 0.289 nan 8.280 nan 0.000 0.552 383 H N -0.107 119.114 119.070 0.250 0.000 2.748 383 H HA -0.142 4.407 4.556 -0.012 0.000 0.322 383 H C -0.313 175.123 175.328 0.180 0.000 1.208 383 H CA -0.004 56.143 56.048 0.165 0.000 1.151 383 H CB -2.095 27.744 29.762 0.127 0.000 1.505 383 H HN 0.217 nan 8.280 nan 0.000 0.429 384 L N 0.177 121.559 121.223 0.264 0.000 2.475 384 L HA 0.241 4.573 4.340 -0.012 0.000 0.250 384 L C 1.051 178.046 176.870 0.210 0.000 1.224 384 L CA 0.330 55.332 54.840 0.270 0.000 0.821 384 L CB 0.584 42.800 42.059 0.261 0.000 1.141 384 L HN 0.513 nan 8.230 nan 0.000 0.494 385 E N -0.309 120.036 120.200 0.240 0.000 2.343 385 E HA 0.282 4.625 4.350 -0.012 0.000 0.260 385 E C 0.112 176.860 176.600 0.247 0.000 0.908 385 E CA -0.360 56.150 56.400 0.183 0.000 0.814 385 E CB 1.672 31.458 29.700 0.143 0.000 1.302 385 E HN 0.678 nan 8.360 nan 0.000 0.408 386 A N 3.406 126.341 122.820 0.191 0.000 2.104 386 A HA -0.205 4.108 4.320 -0.012 0.000 0.223 386 A C 1.808 179.568 177.584 0.293 0.000 1.164 386 A CA 2.081 54.251 52.037 0.222 0.000 0.659 386 A CB -0.595 18.465 19.000 0.101 0.000 0.808 386 A HN 0.710 nan 8.150 nan 0.000 0.465 387 G N -0.874 108.051 108.800 0.208 0.000 2.484 387 G HA2 -0.093 3.860 3.960 -0.012 0.000 0.218 387 G HA3 -0.093 3.860 3.960 -0.012 0.000 0.218 387 G C 1.597 176.581 174.900 0.139 0.000 1.130 387 G CA 1.702 46.898 45.100 0.160 0.000 0.784 387 G HN 0.706 nan 8.290 nan 0.000 0.543 388 T N -1.268 113.369 114.554 0.138 0.000 2.904 388 T HA -0.011 4.332 4.350 -0.012 0.000 0.267 388 T C 2.002 176.700 174.700 -0.003 0.000 1.059 388 T CA 0.650 62.756 62.100 0.010 0.000 1.137 388 T CB -0.412 68.409 68.868 -0.078 0.000 0.879 388 T HN 0.150 nan 8.240 nan 0.000 0.467 389 F N 2.042 122.110 119.950 0.197 0.000 2.325 389 F HA 0.387 4.907 4.527 -0.012 0.000 0.299 389 F C 2.831 178.729 175.800 0.162 0.000 1.090 389 F CA 0.284 58.409 58.000 0.207 0.000 1.392 389 F CB -0.722 38.398 39.000 0.200 0.000 1.053 389 F HN 0.250 nan 8.300 nan 0.000 0.521 390 A N 0.367 123.350 122.820 0.272 0.000 1.930 390 A HA -0.101 4.211 4.320 -0.012 0.000 0.217 390 A C 2.244 179.889 177.584 0.102 0.000 1.175 390 A CA 1.380 53.529 52.037 0.187 0.000 0.627 390 A CB -0.894 18.203 19.000 0.162 0.000 0.815 390 A HN 0.371 nan 8.150 nan 0.000 0.443 391 I N -0.432 120.174 120.570 0.060 0.000 2.193 391 I HA -0.227 3.935 4.170 -0.012 0.000 0.240 391 I C 3.006 179.090 176.117 -0.055 0.000 1.084 391 I CA 0.908 62.203 61.300 -0.009 0.000 1.365 391 I CB -0.414 37.565 38.000 -0.034 0.000 1.064 391 I HN 0.347 nan 8.210 nan 0.000 0.410 392 A N 0.852 123.643 122.820 -0.047 0.000 1.958 392 A HA -0.239 4.074 4.320 -0.012 0.000 0.221 392 A C 2.317 179.810 177.584 -0.152 0.000 1.178 392 A CA 2.351 54.341 52.037 -0.077 0.000 0.642 392 A CB -1.410 17.627 19.000 0.061 0.000 0.816 392 A HN 0.521 nan 8.150 nan 0.000 0.453 393 G N -1.759 106.978 108.800 -0.106 0.000 2.603 393 G HA2 0.028 3.981 3.960 -0.012 0.000 0.214 393 G HA3 0.028 3.981 3.960 -0.012 0.000 0.214 393 G C 1.485 176.173 174.900 -0.353 0.000 1.140 393 G CA 0.735 45.648 45.100 -0.313 0.000 0.800 393 G HN 0.492 nan 8.290 nan 0.000 0.533 394 M N 1.198 120.707 119.600 -0.151 0.000 2.149 394 M HA -0.003 4.470 4.480 -0.012 0.000 0.261 394 M C 2.111 178.282 176.300 -0.216 0.000 1.064 394 M CA 1.851 57.076 55.300 -0.124 0.000 1.102 394 M CB -0.086 32.474 32.600 -0.066 0.000 1.369 394 M HN 0.181 nan 8.290 nan 0.000 0.408 395 G N -1.400 107.242 108.800 -0.263 0.000 3.284 395 G HA2 0.372 4.324 3.960 -0.012 0.000 0.236 395 G HA3 0.372 4.324 3.960 -0.012 0.000 0.236 395 G C 1.071 175.760 174.900 -0.351 0.000 1.158 395 G CA 0.446 45.384 45.100 -0.270 0.000 0.774 395 G HN 0.572 nan 8.290 nan 0.000 0.545 396 A N 0.133 122.604 122.820 -0.582 0.000 1.984 396 A HA 0.306 4.619 4.320 -0.012 0.000 0.214 396 A C 1.948 179.249 177.584 -0.472 0.000 1.173 396 A CA 0.394 51.988 52.037 -0.739 0.000 0.673 396 A CB -0.131 17.924 19.000 -1.575 0.000 0.830 396 A HN 0.345 nan 8.150 nan 0.000 0.453 397 L N -0.464 120.556 121.223 -0.338 0.000 2.418 397 L HA 0.171 4.503 4.340 -0.012 0.000 0.218 397 L C 1.806 178.610 176.870 -0.110 0.000 1.125 397 L CA 0.846 55.706 54.840 0.034 0.000 0.835 397 L CB -0.287 41.878 42.059 0.177 0.000 0.953 397 L HN 0.388 nan 8.230 nan 0.000 0.454 398 L N -0.399 120.687 121.223 -0.228 0.000 2.240 398 L HA -0.062 4.270 4.340 -0.012 0.000 0.211 398 L C 2.646 179.413 176.870 -0.171 0.000 1.106 398 L CA 0.811 55.478 54.840 -0.288 0.000 0.793 398 L CB -0.321 41.473 42.059 -0.442 0.000 0.927 398 L HN 0.259 nan 8.230 nan 0.000 0.446 399 A N -0.206 122.523 122.820 -0.152 0.000 1.929 399 A HA -0.037 4.276 4.320 -0.012 0.000 0.216 399 A C 2.220 179.773 177.584 -0.052 0.000 1.176 399 A CA 1.524 53.503 52.037 -0.097 0.000 0.628 399 A CB -0.352 18.577 19.000 -0.118 0.000 0.816 399 A HN 0.370 nan 8.150 nan 0.000 0.444 400 A N -1.864 120.944 122.820 -0.020 0.000 2.308 400 A HA 0.416 4.729 4.320 -0.012 0.000 0.217 400 A C 1.859 179.450 177.584 0.011 0.000 1.216 400 A CA 1.133 53.182 52.037 0.020 0.000 0.864 400 A CB 0.024 19.086 19.000 0.104 0.000 0.902 400 A HN 0.343 nan 8.150 nan 0.000 0.499 401 S N -1.268 114.435 115.700 0.005 0.000 2.670 401 S HA 0.307 4.770 4.470 -0.012 0.000 0.241 401 S C 1.363 175.969 174.600 0.009 0.000 1.077 401 S CA 0.075 58.284 58.200 0.016 0.000 0.899 401 S CB 0.006 63.251 63.200 0.076 0.000 0.835 401 S HN 0.440 nan 8.310 nan 0.000 0.481 402 I N 1.073 121.635 120.570 -0.014 0.000 3.462 402 I HA 0.155 4.318 4.170 -0.012 0.000 0.290 402 I C 0.115 176.256 176.117 0.040 0.000 1.236 402 I CA 0.236 61.550 61.300 0.024 0.000 1.418 402 I CB 0.285 38.289 38.000 0.005 0.000 1.102 402 I HN 0.066 nan 8.210 nan 0.000 0.441 403 R N 0.219 120.722 120.500 0.005 0.000 3.656 403 R HA -0.150 4.183 4.340 -0.012 0.000 0.297 403 R C 0.063 176.377 176.300 0.023 0.000 1.166 403 R CA 0.773 56.873 56.100 0.000 0.000 0.799 403 R CB -2.855 27.443 30.300 -0.002 0.000 1.285 403 R HN 0.347 nan 8.270 nan 0.000 0.477 404 A N 0.477 123.327 122.820 0.049 0.000 3.150 404 A HA 0.481 4.794 4.320 -0.012 0.000 0.328 404 A C -0.940 176.673 177.584 0.048 0.000 1.104 404 A CA -1.080 51.017 52.037 0.101 0.000 0.937 404 A CB 0.630 19.790 19.000 0.266 0.000 1.073 404 A HN -0.019 nan 8.150 nan 0.000 0.497 405 P HA -0.210 nan 4.420 nan 0.000 0.211 405 P C 1.652 178.950 177.300 -0.002 0.000 1.179 405 P CA 0.766 63.851 63.100 -0.025 0.000 0.910 405 P CB 0.179 31.858 31.700 -0.036 0.000 0.785 406 L N -0.301 120.931 121.223 0.015 0.000 2.051 406 L HA -0.175 4.158 4.340 -0.012 0.000 0.214 406 L C 2.410 179.314 176.870 0.057 0.000 1.076 406 L CA 2.355 57.212 54.840 0.029 0.000 0.758 406 L CB -1.733 40.344 42.059 0.031 0.000 0.890 406 L HN -0.004 nan 8.230 nan 0.000 0.433 407 T N -1.110 113.507 114.554 0.105 0.000 2.777 407 T HA -0.075 4.268 4.350 -0.012 0.000 0.266 407 T C 1.644 176.401 174.700 0.095 0.000 1.040 407 T CA 1.119 63.312 62.100 0.155 0.000 1.141 407 T CB -0.716 68.342 68.868 0.317 0.000 0.868 407 T HN 0.591 nan 8.240 nan 0.000 0.444 408 G N 2.026 110.849 108.800 0.038 0.000 2.464 408 G HA2 -0.122 3.831 3.960 -0.012 0.000 0.214 408 G HA3 -0.122 3.831 3.960 -0.012 0.000 0.214 408 G C 1.495 176.365 174.900 -0.049 0.000 1.218 408 G CA 0.481 45.557 45.100 -0.041 0.000 0.794 408 G HN 0.390 nan 8.290 nan 0.000 0.542 409 I N 0.997 121.536 120.570 -0.052 0.000 2.103 409 I HA -0.285 3.878 4.170 -0.012 0.000 0.241 409 I C 2.807 178.913 176.117 -0.019 0.000 1.036 409 I CA 1.725 62.996 61.300 -0.049 0.000 1.300 409 I CB -0.759 37.218 38.000 -0.037 0.000 1.010 409 I HN 0.184 nan 8.210 nan 0.000 0.406 410 I N -0.353 120.224 120.570 0.011 0.000 2.439 410 I HA -0.248 3.915 4.170 -0.012 0.000 0.251 410 I C 2.479 178.607 176.117 0.018 0.000 1.139 410 I CA 0.525 61.841 61.300 0.026 0.000 1.438 410 I CB -0.223 37.803 38.000 0.043 0.000 1.085 410 I HN 0.192 nan 8.210 nan 0.000 0.427 411 L N 0.558 121.793 121.223 0.019 0.000 1.994 411 L HA -0.169 4.164 4.340 -0.012 0.000 0.208 411 L C 2.482 179.327 176.870 -0.042 0.000 1.071 411 L CA 1.883 56.728 54.840 0.009 0.000 0.745 411 L CB -0.563 41.519 42.059 0.037 0.000 0.892 411 L HN -0.015 nan 8.230 nan 0.000 0.431 412 V N -0.397 119.480 119.914 -0.062 0.000 2.219 412 V HA -0.342 3.771 4.120 -0.012 0.000 0.248 412 V C 2.539 178.606 176.094 -0.044 0.000 1.053 412 V CA 1.969 64.225 62.300 -0.073 0.000 1.009 412 V CB -0.988 30.781 31.823 -0.089 0.000 0.636 412 V HN 0.537 nan 8.190 nan 0.000 0.445 413 L N 0.270 121.480 121.223 -0.021 0.000 2.064 413 L HA -0.275 4.058 4.340 -0.012 0.000 0.216 413 L C 2.439 179.316 176.870 0.011 0.000 1.077 413 L CA 2.150 57.000 54.840 0.017 0.000 0.766 413 L CB -0.806 41.291 42.059 0.064 0.000 0.890 413 L HN 0.437 nan 8.230 nan 0.000 0.435 414 E N -1.568 118.631 120.200 -0.002 0.000 2.208 414 E HA -0.169 4.173 4.350 -0.012 0.000 0.193 414 E C 2.121 178.709 176.600 -0.020 0.000 0.988 414 E CA 1.269 57.665 56.400 -0.006 0.000 0.828 414 E CB -0.070 29.627 29.700 -0.006 0.000 0.763 414 E HN 0.588 nan 8.360 nan 0.000 0.478 415 M N -0.363 119.212 119.600 -0.041 0.000 2.466 415 M HA -0.030 4.442 4.480 -0.012 0.000 0.265 415 M C 2.076 178.346 176.300 -0.051 0.000 1.122 415 M CA 1.155 56.416 55.300 -0.066 0.000 1.157 415 M CB 0.401 32.930 32.600 -0.118 0.000 1.352 415 M HN 0.065 nan 8.290 nan 0.000 0.464 416 T N -4.562 109.970 114.554 -0.036 0.000 3.043 416 T HA 0.056 4.399 4.350 -0.012 0.000 0.272 416 T C 0.411 175.106 174.700 -0.009 0.000 0.990 416 T CA -0.173 61.912 62.100 -0.025 0.000 0.897 416 T CB 0.012 68.864 68.868 -0.027 0.000 1.111 416 T HN 0.258 nan 8.240 nan 0.000 0.529 417 D N 2.304 122.705 120.400 0.002 0.000 2.779 417 D HA -0.196 4.437 4.640 -0.012 0.000 0.223 417 D C -0.704 175.612 176.300 0.027 0.000 1.227 417 D CA 0.539 54.554 54.000 0.024 0.000 0.653 417 D CB -1.787 39.024 40.800 0.018 0.000 0.973 417 D HN 0.657 nan 8.370 nan 0.000 0.402 418 N N 1.432 120.140 118.700 0.014 0.000 2.990 418 N HA 0.003 4.735 4.740 -0.012 0.000 0.288 418 N C 0.647 176.149 175.510 -0.014 0.000 1.624 418 N CA -0.457 52.590 53.050 -0.004 0.000 0.961 418 N CB 0.303 38.766 38.487 -0.040 0.000 1.259 418 N HN 0.286 nan 8.380 nan 0.000 0.489 419 Y N 2.548 122.818 120.300 -0.049 0.000 2.241 419 Y HA -0.279 4.264 4.550 -0.012 0.000 0.286 419 Y C 2.075 177.934 175.900 -0.068 0.000 1.166 419 Y CA 1.965 60.032 58.100 -0.054 0.000 1.203 419 Y CB 0.252 38.687 38.460 -0.041 0.000 0.977 419 Y HN 0.379 nan 8.280 nan 0.000 0.529 420 Q N -0.003 119.675 119.800 -0.202 0.000 2.541 420 Q HA -0.030 4.302 4.340 -0.012 0.000 0.215 420 Q C 1.243 177.050 176.000 -0.321 0.000 0.977 420 Q CA 1.261 56.903 55.803 -0.268 0.000 0.934 420 Q CB -0.768 27.910 28.738 -0.100 0.000 0.988 420 Q HN 0.552 nan 8.270 nan 0.000 0.521 421 L N -0.067 120.964 121.223 -0.320 0.000 2.653 421 L HA 0.161 4.493 4.340 -0.012 0.000 0.232 421 L C 1.131 177.756 176.870 -0.408 0.000 1.169 421 L CA -0.215 54.421 54.840 -0.340 0.000 0.951 421 L CB -0.028 41.876 42.059 -0.259 0.000 1.181 421 L HN 0.250 nan 8.230 nan 0.000 0.460 422 I N 0.090 120.345 120.570 -0.524 0.000 2.142 422 I HA -0.301 3.862 4.170 -0.012 0.000 0.240 422 I C 2.130 178.047 176.117 -0.333 0.000 1.078 422 I CA 1.682 62.700 61.300 -0.471 0.000 1.343 422 I CB 0.047 37.612 38.000 -0.726 0.000 1.046 422 I HN 0.151 nan 8.210 nan 0.000 0.405 423 L N 0.780 121.807 121.223 -0.326 0.000 1.990 423 L HA -0.167 4.166 4.340 -0.012 0.000 0.213 423 L C -0.451 176.225 176.870 -0.324 0.000 1.072 423 L CA 2.483 57.167 54.840 -0.260 0.000 0.755 423 L CB -2.086 39.839 42.059 -0.224 0.000 0.889 423 L HN 0.201 nan 8.230 nan 0.000 0.432 424 P HA -0.122 nan 4.420 nan 0.000 0.220 424 P C 1.931 178.946 177.300 -0.475 0.000 1.148 424 P CA 1.336 63.960 63.100 -0.794 0.000 0.803 424 P CB -0.034 30.642 31.700 -1.706 0.000 0.782 425 M N -1.872 117.508 119.600 -0.367 0.000 2.175 425 M HA -0.105 4.368 4.480 -0.012 0.000 0.264 425 M C 2.055 178.251 176.300 -0.173 0.000 1.063 425 M CA 1.691 56.849 55.300 -0.236 0.000 1.119 425 M CB -0.659 31.816 32.600 -0.209 0.000 1.377 425 M HN -0.064 nan 8.290 nan 0.000 0.415 426 I N 0.474 120.947 120.570 -0.162 0.000 2.133 426 I HA -0.282 3.880 4.170 -0.012 0.000 0.238 426 I C 2.294 178.359 176.117 -0.087 0.000 1.074 426 I CA 1.376 62.612 61.300 -0.108 0.000 1.342 426 I CB -0.306 37.639 38.000 -0.092 0.000 1.053 426 I HN 0.217 nan 8.210 nan 0.000 0.404 427 I N 0.395 120.913 120.570 -0.087 0.000 2.185 427 I HA -0.366 3.797 4.170 -0.012 0.000 0.246 427 I C 2.536 178.639 176.117 -0.023 0.000 1.088 427 I CA 1.693 62.969 61.300 -0.040 0.000 1.347 427 I CB -0.713 37.272 38.000 -0.025 0.000 1.041 427 I HN 0.289 nan 8.210 nan 0.000 0.415 428 T N 0.251 114.778 114.554 -0.046 0.000 2.737 428 T HA -0.095 4.247 4.350 -0.012 0.000 0.265 428 T C 1.861 176.516 174.700 -0.076 0.000 1.038 428 T CA 1.593 63.671 62.100 -0.037 0.000 1.144 428 T CB -0.556 68.280 68.868 -0.053 0.000 0.866 428 T HN 0.599 nan 8.240 nan 0.000 0.434 429 G N 0.844 109.579 108.800 -0.109 0.000 2.402 429 G HA2 -0.099 3.854 3.960 -0.012 0.000 0.216 429 G HA3 -0.099 3.854 3.960 -0.012 0.000 0.216 429 G C 1.504 176.361 174.900 -0.071 0.000 1.162 429 G CA 0.482 45.512 45.100 -0.117 0.000 0.777 429 G HN 0.393 nan 8.290 nan 0.000 0.539 430 L N 1.391 122.581 121.223 -0.055 0.000 2.109 430 L HA 0.246 4.579 4.340 -0.012 0.000 0.207 430 L C 2.786 179.640 176.870 -0.027 0.000 1.086 430 L CA 1.885 56.700 54.840 -0.041 0.000 0.760 430 L CB -0.740 41.300 42.059 -0.032 0.000 0.910 430 L HN 0.165 nan 8.230 nan 0.000 0.437 431 G N -1.194 107.602 108.800 -0.007 0.000 2.432 431 G HA2 -0.216 3.737 3.960 -0.012 0.000 0.219 431 G HA3 -0.216 3.737 3.960 -0.012 0.000 0.219 431 G C 1.561 176.472 174.900 0.018 0.000 1.135 431 G CA 0.709 45.821 45.100 0.020 0.000 0.767 431 G HN 0.566 nan 8.290 nan 0.000 0.550 432 A N 0.587 123.411 122.820 0.006 0.000 1.897 432 A HA 0.055 4.368 4.320 -0.012 0.000 0.215 432 A C 2.551 180.133 177.584 -0.003 0.000 1.181 432 A CA 2.251 54.310 52.037 0.036 0.000 0.620 432 A CB -0.851 18.177 19.000 0.048 0.000 0.821 432 A HN 0.289 nan 8.150 nan 0.000 0.443 433 T N 0.607 115.135 114.554 -0.044 0.000 2.759 433 T HA -0.115 4.227 4.350 -0.012 0.000 0.269 433 T C 1.783 176.393 174.700 -0.151 0.000 1.042 433 T CA 1.419 63.470 62.100 -0.081 0.000 1.140 433 T CB -0.381 68.434 68.868 -0.088 0.000 0.864 433 T HN 0.323 nan 8.240 nan 0.000 0.455 434 L N 0.054 121.178 121.223 -0.165 0.000 2.056 434 L HA 0.020 4.353 4.340 -0.012 0.000 0.207 434 L C 2.560 179.251 176.870 -0.298 0.000 1.078 434 L CA 0.833 55.472 54.840 -0.335 0.000 0.749 434 L CB -0.390 41.575 42.059 -0.156 0.000 0.901 434 L HN 0.237 nan 8.230 nan 0.000 0.433 435 L N -0.594 120.607 121.223 -0.036 0.000 2.156 435 L HA -0.108 4.225 4.340 -0.012 0.000 0.208 435 L C 2.774 179.667 176.870 0.037 0.000 1.095 435 L CA 1.503 56.392 54.840 0.082 0.000 0.770 435 L CB -1.081 41.039 42.059 0.101 0.000 0.914 435 L HN 0.228 nan 8.230 nan 0.000 0.439 436 A N -0.807 122.002 122.820 -0.018 0.000 1.930 436 A HA -0.243 4.069 4.320 -0.012 0.000 0.217 436 A C 2.252 179.809 177.584 -0.046 0.000 1.175 436 A CA 1.472 53.496 52.037 -0.021 0.000 0.627 436 A CB -0.392 18.594 19.000 -0.023 0.000 0.815 436 A HN 0.469 nan 8.150 nan 0.000 0.443 437 Q N -1.330 118.384 119.800 -0.143 0.000 2.020 437 Q HA -0.122 4.210 4.340 -0.012 0.000 0.198 437 Q C 1.518 177.496 176.000 -0.036 0.000 0.974 437 Q CA 1.428 57.130 55.803 -0.168 0.000 0.829 437 Q CB -0.198 28.319 28.738 -0.369 0.000 0.894 437 Q HN 0.577 nan 8.270 nan 0.000 0.433 438 F N 0.621 120.586 119.950 0.024 0.000 2.546 438 F HA -0.057 4.463 4.527 -0.012 0.000 0.298 438 F C 2.249 178.063 175.800 0.024 0.000 1.120 438 F CA 1.411 59.425 58.000 0.024 0.000 1.456 438 F CB -0.543 38.472 39.000 0.026 0.000 1.088 438 F HN 0.223 nan 8.300 nan 0.000 0.572 439 T N -4.041 110.629 114.554 0.193 0.000 3.069 439 T HA 0.470 4.812 4.350 -0.012 0.000 0.252 439 T C 1.542 176.291 174.700 0.081 0.000 1.053 439 T CA 0.420 62.593 62.100 0.123 0.000 0.964 439 T CB 0.166 69.090 68.868 0.094 0.000 1.005 439 T HN 0.372 nan 8.240 nan 0.000 0.532 440 G N 0.394 109.241 108.800 0.079 0.000 2.131 440 G HA2 -0.005 3.948 3.960 -0.012 0.000 0.223 440 G HA3 -0.005 3.948 3.960 -0.012 0.000 0.223 440 G C 0.346 175.263 174.900 0.028 0.000 0.990 440 G CA -0.392 44.741 45.100 0.054 0.000 0.671 440 G HN 0.984 nan 8.290 nan 0.000 0.521 441 G N -0.243 108.565 108.800 0.014 0.000 2.476 441 G HA2 0.593 4.546 3.960 -0.012 0.000 0.269 441 G HA3 0.593 4.546 3.960 -0.012 0.000 0.269 441 G C -0.102 174.799 174.900 0.001 0.000 1.195 441 G CA -0.379 44.717 45.100 -0.005 0.000 0.843 441 G HN 0.500 nan 8.290 nan 0.000 0.545 442 K N 2.084 122.485 120.400 0.002 0.000 2.345 442 K HA 0.357 4.670 4.320 -0.012 0.000 0.255 442 K C -2.737 173.875 176.600 0.020 0.000 0.934 442 K CA -1.876 54.421 56.287 0.017 0.000 0.801 442 K CB 2.552 35.067 32.500 0.026 0.000 1.137 442 K HN 0.134 nan 8.250 nan 0.000 0.424 443 P HA -0.156 nan 4.420 nan 0.000 0.247 443 P C 0.832 178.163 177.300 0.052 0.000 1.141 443 P CA 0.195 63.316 63.100 0.036 0.000 0.858 443 P CB 0.170 31.891 31.700 0.036 0.000 0.804 444 L N 3.302 124.556 121.223 0.051 0.000 2.197 444 L HA -0.294 4.039 4.340 -0.012 0.000 0.215 444 L C 1.770 178.702 176.870 0.103 0.000 1.095 444 L CA 2.497 57.376 54.840 0.066 0.000 0.764 444 L CB -0.917 41.176 42.059 0.056 0.000 0.897 444 L HN 0.313 nan 8.230 nan 0.000 0.436 445 A N -1.055 121.834 122.820 0.115 0.000 1.841 445 A HA -0.173 4.139 4.320 -0.012 0.000 0.214 445 A C 2.394 180.037 177.584 0.098 0.000 1.195 445 A CA 1.758 53.873 52.037 0.130 0.000 0.611 445 A CB -0.773 18.314 19.000 0.145 0.000 0.835 445 A HN 0.481 nan 8.150 nan 0.000 0.443 446 S N 0.006 115.754 115.700 0.081 0.000 2.365 446 S HA -0.139 4.323 4.470 -0.012 0.000 0.225 446 S C 2.232 176.877 174.600 0.074 0.000 1.039 446 S CA 1.438 59.686 58.200 0.079 0.000 1.033 446 S CB -0.508 62.743 63.200 0.085 0.000 0.887 446 S HN 0.810 nan 8.310 nan 0.000 0.447 447 A N 0.559 123.420 122.820 0.068 0.000 2.067 447 A HA 0.071 4.383 4.320 -0.012 0.000 0.219 447 A C 2.007 179.627 177.584 0.060 0.000 1.158 447 A CA 0.859 52.930 52.037 0.057 0.000 0.661 447 A CB -0.496 18.531 19.000 0.045 0.000 0.801 447 A HN 0.505 nan 8.150 nan 0.000 0.452 448 I N -1.175 119.442 120.570 0.078 0.000 2.400 448 I HA -0.123 4.040 4.170 -0.012 0.000 0.248 448 I C 2.304 178.457 176.117 0.061 0.000 1.109 448 I CA 0.530 61.878 61.300 0.080 0.000 1.425 448 I CB -0.121 37.953 38.000 0.123 0.000 1.094 448 I HN 0.350 nan 8.210 nan 0.000 0.425 449 L N 1.486 122.746 121.223 0.063 0.000 2.012 449 L HA -0.168 4.165 4.340 -0.012 0.000 0.210 449 L C 2.572 179.465 176.870 0.039 0.000 1.073 449 L CA 2.207 57.076 54.840 0.049 0.000 0.748 449 L CB -0.977 41.114 42.059 0.052 0.000 0.891 449 L HN 0.207 nan 8.230 nan 0.000 0.431 450 A N -0.401 122.445 122.820 0.043 0.000 1.948 450 A HA -0.220 4.093 4.320 -0.012 0.000 0.220 450 A C 2.322 179.919 177.584 0.021 0.000 1.177 450 A CA 1.764 53.820 52.037 0.031 0.000 0.636 450 A CB -0.480 18.541 19.000 0.034 0.000 0.815 450 A HN 0.515 nan 8.150 nan 0.000 0.449 451 R N -1.001 119.513 120.500 0.023 0.000 2.057 451 R HA -0.047 4.286 4.340 -0.012 0.000 0.229 451 R C 2.232 178.538 176.300 0.010 0.000 1.136 451 R CA 1.696 57.804 56.100 0.014 0.000 0.952 451 R CB -1.577 28.732 30.300 0.015 0.000 0.848 451 R HN 0.505 nan 8.270 nan 0.000 0.430 452 T N 2.538 117.102 114.554 0.016 0.000 2.653 452 T HA -0.164 4.179 4.350 -0.012 0.000 0.268 452 T C 1.856 176.563 174.700 0.011 0.000 1.035 452 T CA 1.393 63.502 62.100 0.014 0.000 1.154 452 T CB -0.264 68.614 68.868 0.017 0.000 0.862 452 T HN -0.000 nan 8.240 nan 0.000 0.441 453 L N 0.443 121.674 121.223 0.013 0.000 2.156 453 L HA 0.226 4.559 4.340 -0.012 0.000 0.208 453 L C 2.497 179.371 176.870 0.006 0.000 1.095 453 L CA 1.285 56.132 54.840 0.011 0.000 0.770 453 L CB -0.890 41.178 42.059 0.015 0.000 0.914 453 L HN 0.241 nan 8.230 nan 0.000 0.439 454 A N -1.209 121.614 122.820 0.004 0.000 1.878 454 A HA -0.118 4.195 4.320 -0.012 0.000 0.213 454 A C 2.232 179.814 177.584 -0.002 0.000 1.192 454 A CA 0.975 53.012 52.037 -0.001 0.000 0.619 454 A CB -0.330 18.669 19.000 -0.002 0.000 0.837 454 A HN 0.293 nan 8.150 nan 0.000 0.446 455 K N -0.381 120.017 120.400 -0.004 0.000 2.281 455 K HA -0.190 4.123 4.320 -0.012 0.000 0.203 455 K C 2.046 178.645 176.600 -0.002 0.000 1.046 455 K CA 1.414 57.696 56.287 -0.008 0.000 0.938 455 K CB -0.083 32.408 32.500 -0.014 0.000 0.737 455 K HN 0.641 nan 8.250 nan 0.000 0.458 456 Q N 0.377 120.178 119.800 0.002 0.000 2.378 456 Q HA -0.089 4.244 4.340 -0.012 0.000 0.205 456 Q C 1.176 177.179 176.000 0.004 0.000 0.954 456 Q CA 0.829 56.635 55.803 0.005 0.000 0.901 456 Q CB 0.410 29.153 28.738 0.007 0.000 0.981 456 Q HN 0.336 nan 8.270 nan 0.000 0.483 457 E N -0.637 119.564 120.200 0.002 0.000 2.110 457 E HA 0.022 4.365 4.350 -0.012 0.000 0.193 457 E C 1.911 178.510 176.600 -0.001 0.000 0.950 457 E CA 0.502 56.903 56.400 0.001 0.000 0.840 457 E CB -0.026 29.674 29.700 -0.001 0.000 0.809 457 E HN 0.323 nan 8.360 nan 0.000 0.465 458 A N 2.618 125.437 122.820 -0.003 0.000 1.909 458 A HA -0.259 4.054 4.320 -0.012 0.000 0.221 458 A C 1.434 179.017 177.584 -0.003 0.000 1.223 458 A CA 1.885 53.919 52.037 -0.005 0.000 0.658 458 A CB -1.106 17.889 19.000 -0.009 0.000 0.831 458 A HN 0.434 nan 8.150 nan 0.000 0.462 459 E N 0.706 120.905 120.200 -0.001 0.000 1.954 459 E HA 0.243 4.586 4.350 -0.012 0.000 0.272 459 E C -0.217 176.386 176.600 0.004 0.000 1.170 459 E CA 0.153 56.554 56.400 0.002 0.000 1.101 459 E CB -0.501 29.202 29.700 0.006 0.000 1.076 459 E HN 0.698 nan 8.360 nan 0.000 0.449 460 Q N 0.000 119.801 119.800 0.002 0.000 2.315 460 Q HA 0.000 4.333 4.340 -0.012 0.000 0.214 460 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 460 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481