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 2x8y_1_A DATA FIRST_RESID 20 DATA SEQUENCE KEEIQAKEYL ENLNKELAKR TNVETEAAWA YGSNITDENE KKKNEISAEL DATA SEQUENCE AKFMKEVASD TTKFQWRSYQ SEDLKRQFKA LTKLGYAALP EDDYAELLDT DATA SEQUENCE LSAMESNFAK VKVcDYKDST KcDLALDPEI EEVISKSRDH EELAYYWREF DATA SEQUENCE YDKAGTAVRS QFERYVELNT KAAKLNNFTS GAEAWLDEYE DDTFEQQLED DATA SEQUENCE IFADIRPLYQ QIHGYVRFRL RKHYGDAVVS ETGPIPMHLL GNMWAQQWSE DATA SEQUENCE IADIVSPFPE KPLVDVSAEM EKQGYTPLKM FQMGDDFFTS MNLTKLPQDF DATA SEQUENCE WDKSIIEKPT DGRDLVcHAS AWDFYLTDDV RIKQcTRVTQ DQLFTVHHEL DATA SEQUENCE GHIQYFLQYQ HQPFVYRTGA NPGFHEAVGD VLSLSVSTPK HLEKIGLLKD DATA SEQUENCE YVRDDEARIN QLFLTALDKI VFLPFAFTMD KYRWSLFRGE VDKANWNcAF DATA SEQUENCE WKLRDEYSGI EPPVVRSEKD FDAPAKYHIS ADVEYLRYLV SFIIQFQFYK DATA SEQUENCE SAcIKAGQYD PDNVELPLDN cDIYGSAAAG AAFHNMLSMG ASKPWPDALE DATA SEQUENCE AFNGERIMSG KAIAEYFEPL RVWLEAENIK NNVHIGWTTS NKcVS 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 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.591 176.600 -0.015 0.000 0.988 20 K CA 0.000 56.280 56.287 -0.011 0.000 0.838 20 K CB 0.000 32.502 32.500 0.004 0.000 1.064 21 E N 1.106 121.303 120.200 -0.004 0.000 2.268 21 E HA -0.128 4.216 4.350 -0.009 0.000 0.195 21 E C 1.521 178.090 176.600 -0.051 0.000 0.995 21 E CA 1.210 57.634 56.400 0.039 0.000 0.836 21 E CB 0.077 29.865 29.700 0.146 0.000 0.763 21 E HN 0.699 nan 8.360 nan 0.000 0.491 22 E N 0.194 120.221 120.200 -0.289 0.000 2.204 22 E HA -0.189 4.155 4.350 -0.009 0.000 0.195 22 E C 2.016 178.525 176.600 -0.153 0.000 0.990 22 E CA 0.881 57.000 56.400 -0.468 0.000 0.821 22 E CB -0.049 29.344 29.700 -0.512 0.000 0.750 22 E HN 0.420 nan 8.360 nan 0.000 0.477 23 I N 1.064 121.597 120.570 -0.062 0.000 2.202 23 I HA -0.299 3.866 4.170 -0.009 0.000 0.242 23 I C 2.822 178.970 176.117 0.053 0.000 1.091 23 I CA 1.241 62.541 61.300 -0.001 0.000 1.368 23 I CB -0.260 37.745 38.000 0.008 0.000 1.058 23 I HN 0.101 nan 8.210 nan 0.000 0.410 24 Q N 1.223 121.082 119.800 0.099 0.000 2.167 24 Q HA -0.184 4.151 4.340 -0.009 0.000 0.202 24 Q C 2.289 178.449 176.000 0.266 0.000 0.970 24 Q CA 1.553 57.467 55.803 0.185 0.000 0.855 24 Q CB -0.026 28.842 28.738 0.216 0.000 0.911 24 Q HN 0.534 nan 8.270 nan 0.000 0.438 25 A N 1.428 124.394 122.820 0.244 0.000 1.902 25 A HA -0.206 4.109 4.320 -0.009 0.000 0.217 25 A C 2.051 179.716 177.584 0.135 0.000 1.181 25 A CA 1.620 53.754 52.037 0.162 0.000 0.623 25 A CB -0.520 18.620 19.000 0.235 0.000 0.818 25 A HN 0.385 nan 8.150 nan 0.000 0.443 26 K N -0.140 120.311 120.400 0.086 0.000 2.063 26 K HA -0.206 4.109 4.320 -0.009 0.000 0.208 26 K C 1.897 178.512 176.600 0.025 0.000 1.048 26 K CA 1.805 58.116 56.287 0.040 0.000 0.928 26 K CB -0.187 32.327 32.500 0.023 0.000 0.713 26 K HN 0.639 nan 8.250 nan 0.000 0.442 27 E N -0.700 119.538 120.200 0.063 0.000 2.106 27 E HA -0.225 4.120 4.350 -0.009 0.000 0.192 27 E C 1.852 178.489 176.600 0.061 0.000 0.984 27 E CA 1.263 57.698 56.400 0.059 0.000 0.806 27 E CB -0.218 29.534 29.700 0.087 0.000 0.750 27 E HN 0.391 nan 8.360 nan 0.000 0.458 28 Y N 1.428 121.719 120.300 -0.016 0.000 2.181 28 Y HA -0.213 4.332 4.550 -0.008 0.000 0.288 28 Y C 1.870 177.673 175.900 -0.163 0.000 1.146 28 Y CA 1.425 59.497 58.100 -0.047 0.000 1.164 28 Y CB -0.122 38.301 38.460 -0.061 0.000 0.982 28 Y HN -0.056 nan 8.280 nan 0.000 0.515 29 L N -0.126 120.953 121.223 -0.239 0.000 2.056 29 L HA -0.164 4.171 4.340 -0.009 0.000 0.207 29 L C 2.643 179.328 176.870 -0.308 0.000 1.078 29 L CA 1.408 56.008 54.840 -0.401 0.000 0.749 29 L CB -0.615 41.225 42.059 -0.365 0.000 0.901 29 L HN 0.229 nan 8.230 nan 0.000 0.433 30 E N 0.581 120.669 120.200 -0.187 0.000 2.058 30 E HA -0.278 4.067 4.350 -0.009 0.000 0.194 30 E C 1.847 178.359 176.600 -0.148 0.000 0.997 30 E CA 1.863 58.183 56.400 -0.132 0.000 0.801 30 E CB -0.105 29.554 29.700 -0.069 0.000 0.746 30 E HN 0.441 nan 8.360 nan 0.000 0.450 31 N N 0.123 118.723 118.700 -0.166 0.000 2.106 31 N HA -0.161 4.574 4.740 -0.009 0.000 0.188 31 N C 1.930 177.308 175.510 -0.220 0.000 1.029 31 N CA 0.897 53.850 53.050 -0.160 0.000 0.848 31 N CB -0.257 38.154 38.487 -0.126 0.000 1.007 31 N HN 0.065 nan 8.380 nan 0.000 0.423 32 L N 0.993 122.001 121.223 -0.357 0.000 2.046 32 L HA -0.057 4.278 4.340 -0.009 0.000 0.208 32 L C 1.732 178.440 176.870 -0.271 0.000 1.077 32 L CA 1.633 56.257 54.840 -0.361 0.000 0.747 32 L CB -1.047 40.640 42.059 -0.619 0.000 0.896 32 L HN 0.265 nan 8.230 nan 0.000 0.432 33 N N 0.062 118.607 118.700 -0.258 0.000 2.069 33 N HA -0.217 4.518 4.740 -0.009 0.000 0.191 33 N C 1.779 177.180 175.510 -0.182 0.000 1.031 33 N CA 1.701 54.647 53.050 -0.175 0.000 0.852 33 N CB -0.156 38.251 38.487 -0.133 0.000 1.018 33 N HN 0.463 nan 8.380 nan 0.000 0.423 34 K N 0.929 121.239 120.400 -0.149 0.000 2.097 34 K HA -0.163 4.151 4.320 -0.009 0.000 0.206 34 K C 1.938 178.425 176.600 -0.189 0.000 1.049 34 K CA 1.007 57.218 56.287 -0.126 0.000 0.933 34 K CB -0.105 32.344 32.500 -0.086 0.000 0.717 34 K HN 0.319 nan 8.250 nan 0.000 0.442 35 E N 1.317 121.391 120.200 -0.211 0.000 2.077 35 E HA -0.167 4.178 4.350 -0.009 0.000 0.193 35 E C 1.957 178.334 176.600 -0.372 0.000 0.989 35 E CA 0.845 57.096 56.400 -0.249 0.000 0.800 35 E CB -0.012 29.578 29.700 -0.183 0.000 0.746 35 E HN 0.196 nan 8.360 nan 0.000 0.452 36 L N 0.307 121.256 121.223 -0.456 0.000 2.093 36 L HA -0.134 4.201 4.340 -0.009 0.000 0.208 36 L C 2.655 178.824 176.870 -1.168 0.000 1.085 36 L CA 0.961 55.334 54.840 -0.778 0.000 0.755 36 L CB -0.480 41.029 42.059 -0.916 0.000 0.904 36 L HN 0.264 nan 8.230 nan 0.000 0.435 37 A N 0.098 122.319 122.820 -0.998 0.000 1.883 37 A HA -0.274 4.041 4.320 -0.009 0.000 0.217 37 A C 2.301 179.732 177.584 -0.255 0.000 1.186 37 A CA 2.112 53.830 52.037 -0.532 0.000 0.624 37 A CB -0.401 18.567 19.000 -0.052 0.000 0.822 37 A HN 0.213 nan 8.150 nan 0.000 0.444 38 K N -0.157 120.105 120.400 -0.231 0.000 2.057 38 K HA -0.041 4.273 4.320 -0.009 0.000 0.206 38 K C 2.164 178.666 176.600 -0.163 0.000 1.050 38 K CA 1.523 57.724 56.287 -0.143 0.000 0.935 38 K CB -0.249 32.166 32.500 -0.142 0.000 0.715 38 K HN 0.466 nan 8.250 nan 0.000 0.439 39 R N -0.832 119.507 120.500 -0.270 0.000 2.092 39 R HA -0.044 4.290 4.340 -0.009 0.000 0.231 39 R C 2.119 178.320 176.300 -0.164 0.000 1.119 39 R CA 1.810 57.758 56.100 -0.252 0.000 0.970 39 R CB -0.406 29.662 30.300 -0.387 0.000 0.864 39 R HN 0.208 nan 8.270 nan 0.000 0.440 40 T N 0.996 115.418 114.554 -0.220 0.000 2.821 40 T HA -0.144 4.200 4.350 -0.009 0.000 0.267 40 T C 1.551 176.295 174.700 0.073 0.000 1.046 40 T CA 1.143 63.180 62.100 -0.105 0.000 1.139 40 T CB -0.364 68.357 68.868 -0.245 0.000 0.871 40 T HN 0.370 nan 8.240 nan 0.000 0.454 41 N N 1.292 120.053 118.700 0.102 0.000 2.061 41 N HA -0.151 4.583 4.740 -0.009 0.000 0.193 41 N C 1.846 177.469 175.510 0.187 0.000 1.030 41 N CA 1.565 54.740 53.050 0.209 0.000 0.856 41 N CB -0.288 38.297 38.487 0.164 0.000 1.023 41 N HN 0.239 nan 8.380 nan 0.000 0.424 42 V N 1.454 121.424 119.914 0.094 0.000 2.343 42 V HA -0.171 3.944 4.120 -0.009 0.000 0.247 42 V C 2.540 178.707 176.094 0.121 0.000 1.051 42 V CA 1.964 64.315 62.300 0.085 0.000 1.036 42 V CB -0.722 31.114 31.823 0.021 0.000 0.654 42 V HN 0.426 nan 8.190 nan 0.000 0.451 43 E N 0.168 120.433 120.200 0.108 0.000 2.077 43 E HA -0.224 4.121 4.350 -0.009 0.000 0.193 43 E C 2.212 178.938 176.600 0.211 0.000 0.989 43 E CA 1.933 58.416 56.400 0.137 0.000 0.800 43 E CB -0.112 29.654 29.700 0.110 0.000 0.746 43 E HN 0.646 nan 8.360 nan 0.000 0.452 44 T N 1.337 116.031 114.554 0.232 0.000 2.788 44 T HA -0.120 4.224 4.350 -0.009 0.000 0.268 44 T C 1.578 176.538 174.700 0.433 0.000 1.044 44 T CA 1.046 63.318 62.100 0.287 0.000 1.139 44 T CB -0.141 68.776 68.868 0.081 0.000 0.867 44 T HN 0.175 nan 8.240 nan 0.000 0.454 45 E N 1.307 121.771 120.200 0.441 0.000 2.077 45 E HA -0.079 4.266 4.350 -0.009 0.000 0.193 45 E C 2.594 179.406 176.600 0.352 0.000 0.989 45 E CA 1.239 57.901 56.400 0.438 0.000 0.800 45 E CB -0.399 29.451 29.700 0.250 0.000 0.746 45 E HN 0.527 nan 8.360 nan 0.000 0.452 46 A N 1.284 124.265 122.820 0.270 0.000 1.930 46 A HA -0.025 4.290 4.320 -0.009 0.000 0.217 46 A C 2.384 180.132 177.584 0.275 0.000 1.175 46 A CA 1.767 53.939 52.037 0.224 0.000 0.627 46 A CB -0.405 18.689 19.000 0.157 0.000 0.815 46 A HN 0.260 nan 8.150 nan 0.000 0.443 47 A N -1.120 121.908 122.820 0.347 0.000 1.930 47 A HA -0.137 4.177 4.320 -0.009 0.000 0.217 47 A C 2.069 179.905 177.584 0.420 0.000 1.175 47 A CA 1.273 53.581 52.037 0.452 0.000 0.627 47 A CB -0.814 18.516 19.000 0.549 0.000 0.815 47 A HN 0.873 nan 8.150 nan 0.000 0.443 48 W N 0.956 122.267 121.300 0.018 0.000 2.355 48 W HA -0.169 4.481 4.660 -0.016 0.000 0.309 48 W C 2.181 178.589 176.519 -0.183 0.000 1.206 48 W CA 2.059 59.112 57.345 -0.487 0.000 1.284 48 W CB -0.515 28.735 29.460 -0.351 0.000 1.145 48 W HN 0.403 nan 8.180 nan 0.000 0.502 49 A N -0.080 122.816 122.820 0.128 0.000 1.940 49 A HA -0.290 4.025 4.320 -0.009 0.000 0.219 49 A C 1.871 179.456 177.584 0.002 0.000 1.176 49 A CA 1.840 53.907 52.037 0.050 0.000 0.631 49 A CB -1.610 17.487 19.000 0.162 0.000 0.814 49 A HN 0.539 nan 8.150 nan 0.000 0.446 50 Y N 0.612 120.895 120.300 -0.029 0.000 2.184 50 Y HA 0.037 4.582 4.550 -0.009 0.000 0.290 50 Y C 2.438 178.311 175.900 -0.045 0.000 1.129 50 Y CA 1.314 59.410 58.100 -0.006 0.000 1.144 50 Y CB -0.827 37.670 38.460 0.061 0.000 0.995 50 Y HN 0.206 nan 8.280 nan 0.000 0.513 51 G N -1.473 107.228 108.800 -0.165 0.000 2.443 51 G HA2 -0.172 3.783 3.960 -0.009 0.000 0.219 51 G HA3 -0.172 3.783 3.960 -0.009 0.000 0.219 51 G C 1.667 176.341 174.900 -0.377 0.000 1.131 51 G CA 0.995 45.949 45.100 -0.243 0.000 0.775 51 G HN 0.427 nan 8.290 nan 0.000 0.547 52 S N -0.346 115.042 115.700 -0.519 0.000 2.501 52 S HA 0.084 4.549 4.470 -0.009 0.000 0.220 52 S C 0.634 175.053 174.600 -0.301 0.000 0.997 52 S CA 0.095 57.980 58.200 -0.524 0.000 0.919 52 S CB 0.148 62.889 63.200 -0.766 0.000 0.778 52 S HN 0.392 nan 8.310 nan 0.000 0.523 53 N N 0.801 119.350 118.700 -0.252 0.000 2.969 53 N HA 0.215 4.950 4.740 -0.009 0.000 0.230 53 N C -1.532 173.891 175.510 -0.146 0.000 1.397 53 N CA -0.111 52.847 53.050 -0.153 0.000 0.762 53 N CB 0.076 38.510 38.487 -0.088 0.000 1.495 53 N HN 0.037 nan 8.380 nan 0.000 0.583 54 I N 2.436 122.875 120.570 -0.217 0.000 2.483 54 I HA 0.138 4.303 4.170 -0.009 0.000 0.291 54 I C 0.549 176.667 176.117 0.002 0.000 1.112 54 I CA 0.344 61.495 61.300 -0.247 0.000 1.350 54 I CB 0.129 37.948 38.000 -0.301 0.000 1.419 54 I HN 0.463 nan 8.210 nan 0.000 0.523 55 T N -0.040 114.605 114.554 0.151 0.000 2.864 55 T HA 0.289 4.633 4.350 -0.009 0.000 0.299 55 T C 0.409 175.222 174.700 0.189 0.000 1.166 55 T CA -0.862 61.321 62.100 0.138 0.000 1.007 55 T CB 2.035 70.958 68.868 0.090 0.000 1.219 55 T HN 0.319 nan 8.240 nan 0.000 0.506 56 D N 0.228 120.697 120.400 0.116 0.000 2.144 56 D HA -0.085 4.550 4.640 -0.009 0.000 0.199 56 D C 1.674 178.011 176.300 0.060 0.000 0.984 56 D CA 1.266 55.316 54.000 0.083 0.000 0.834 56 D CB 0.042 40.875 40.800 0.055 0.000 0.955 56 D HN 0.826 nan 8.370 nan 0.000 0.465 57 E N 0.257 120.496 120.200 0.065 0.000 2.072 57 E HA -0.148 4.197 4.350 -0.009 0.000 0.191 57 E C 1.531 178.165 176.600 0.058 0.000 0.985 57 E CA 0.695 57.125 56.400 0.050 0.000 0.801 57 E CB 0.179 29.907 29.700 0.047 0.000 0.750 57 E HN 0.070 nan 8.360 nan 0.000 0.452 58 N N 0.946 119.711 118.700 0.109 0.000 2.244 58 N HA -0.164 4.571 4.740 -0.009 0.000 0.183 58 N C 1.605 177.136 175.510 0.034 0.000 1.016 58 N CA 0.882 54.022 53.050 0.151 0.000 0.866 58 N CB -0.239 38.412 38.487 0.274 0.000 0.980 58 N HN 0.344 nan 8.380 nan 0.000 0.430 59 E N 1.200 121.357 120.200 -0.070 0.000 2.051 59 E HA -0.200 4.144 4.350 -0.009 0.000 0.192 59 E C 1.826 178.281 176.600 -0.242 0.000 0.991 59 E CA 1.135 57.256 56.400 -0.465 0.000 0.799 59 E CB 0.066 29.609 29.700 -0.261 0.000 0.748 59 E HN 0.215 nan 8.360 nan 0.000 0.449 60 K N 0.575 120.917 120.400 -0.096 0.000 2.026 60 K HA -0.188 4.126 4.320 -0.009 0.000 0.208 60 K C 2.165 178.744 176.600 -0.035 0.000 1.048 60 K CA 1.602 57.858 56.287 -0.052 0.000 0.929 60 K CB 0.064 32.554 32.500 -0.015 0.000 0.713 60 K HN -0.016 nan 8.250 nan 0.000 0.439 61 K N 0.667 121.058 120.400 -0.016 0.000 2.026 61 K HA -0.193 4.122 4.320 -0.009 0.000 0.208 61 K C 2.235 178.843 176.600 0.014 0.000 1.048 61 K CA 1.576 57.870 56.287 0.013 0.000 0.929 61 K CB -0.145 32.379 32.500 0.041 0.000 0.713 61 K HN 0.123 nan 8.250 nan 0.000 0.439 62 K N 0.998 121.388 120.400 -0.016 0.000 2.009 62 K HA -0.194 4.120 4.320 -0.009 0.000 0.210 62 K C 1.729 178.327 176.600 -0.003 0.000 1.049 62 K CA 1.790 58.077 56.287 -0.000 0.000 0.929 62 K CB -0.031 32.423 32.500 -0.076 0.000 0.714 62 K HN 0.057 nan 8.250 nan 0.000 0.440 63 N N 0.980 119.645 118.700 -0.058 0.000 2.216 63 N HA -0.112 4.623 4.740 -0.009 0.000 0.183 63 N C 1.521 177.045 175.510 0.023 0.000 1.017 63 N CA 1.095 54.123 53.050 -0.037 0.000 0.861 63 N CB -0.066 38.368 38.487 -0.089 0.000 0.986 63 N HN 0.364 nan 8.380 nan 0.000 0.428 64 E N 0.295 120.507 120.200 0.020 0.000 2.072 64 E HA -0.065 4.280 4.350 -0.009 0.000 0.191 64 E C 1.645 178.282 176.600 0.063 0.000 0.985 64 E CA 0.558 56.983 56.400 0.042 0.000 0.801 64 E CB 0.067 29.783 29.700 0.027 0.000 0.750 64 E HN 0.241 nan 8.360 nan 0.000 0.452 65 I N 0.964 121.570 120.570 0.061 0.000 2.315 65 I HA -0.185 3.980 4.170 -0.009 0.000 0.248 65 I C 2.313 178.487 176.117 0.095 0.000 1.117 65 I CA 1.076 62.416 61.300 0.066 0.000 1.404 65 I CB -1.193 36.847 38.000 0.067 0.000 1.071 65 I HN -0.036 nan 8.210 nan 0.000 0.419 66 S N 1.088 116.866 115.700 0.130 0.000 2.368 66 S HA -0.107 4.358 4.470 -0.009 0.000 0.225 66 S C 2.269 177.051 174.600 0.303 0.000 1.030 66 S CA 1.328 59.653 58.200 0.209 0.000 0.999 66 S CB -0.261 63.073 63.200 0.223 0.000 0.844 66 S HN 0.549 nan 8.310 nan 0.000 0.459 67 A N 1.296 124.299 122.820 0.305 0.000 1.908 67 A HA -0.190 4.124 4.320 -0.009 0.000 0.218 67 A C 2.016 179.668 177.584 0.113 0.000 1.181 67 A CA 1.867 54.080 52.037 0.293 0.000 0.627 67 A CB -0.644 18.491 19.000 0.225 0.000 0.818 67 A HN 0.615 nan 8.150 nan 0.000 0.445 68 E N -0.686 119.568 120.200 0.090 0.000 2.051 68 E HA -0.206 4.138 4.350 -0.009 0.000 0.192 68 E C 1.901 178.531 176.600 0.051 0.000 0.991 68 E CA 1.395 57.827 56.400 0.054 0.000 0.799 68 E CB -0.213 29.508 29.700 0.035 0.000 0.748 68 E HN 0.444 nan 8.360 nan 0.000 0.449 69 L N 0.753 122.006 121.223 0.050 0.000 2.083 69 L HA -0.058 4.276 4.340 -0.009 0.000 0.209 69 L C 2.229 179.126 176.870 0.046 0.000 1.083 69 L CA 2.095 56.968 54.840 0.054 0.000 0.752 69 L CB -0.732 41.350 42.059 0.039 0.000 0.899 69 L HN 0.194 nan 8.230 nan 0.000 0.433 70 A N -0.518 122.268 122.820 -0.057 0.000 1.908 70 A HA -0.299 4.016 4.320 -0.009 0.000 0.218 70 A C 2.468 179.959 177.584 -0.154 0.000 1.181 70 A CA 2.119 54.008 52.037 -0.248 0.000 0.627 70 A CB -0.668 17.856 19.000 -0.792 0.000 0.818 70 A HN 0.505 nan 8.150 nan 0.000 0.445 71 K N -1.667 118.688 120.400 -0.075 0.000 2.063 71 K HA -0.179 4.136 4.320 -0.009 0.000 0.208 71 K C 1.793 178.407 176.600 0.023 0.000 1.048 71 K CA 1.756 58.029 56.287 -0.022 0.000 0.928 71 K CB -0.326 32.185 32.500 0.018 0.000 0.713 71 K HN 0.436 nan 8.250 nan 0.000 0.442 72 F N 1.099 121.007 119.950 -0.071 0.000 2.146 72 F HA -0.203 4.319 4.527 -0.008 0.000 0.298 72 F C 1.953 177.713 175.800 -0.066 0.000 1.096 72 F CA 1.214 59.176 58.000 -0.063 0.000 1.275 72 F CB -0.060 38.895 39.000 -0.074 0.000 1.008 72 F HN 0.015 nan 8.300 nan 0.000 0.480 73 M N 0.476 120.034 119.600 -0.071 0.000 2.108 73 M HA -0.213 4.262 4.480 -0.009 0.000 0.261 73 M C 2.102 178.294 176.300 -0.179 0.000 1.066 73 M CA 1.505 56.716 55.300 -0.149 0.000 1.107 73 M CB -1.336 31.225 32.600 -0.065 0.000 1.356 73 M HN 0.143 nan 8.290 nan 0.000 0.406 74 K N -0.060 120.255 120.400 -0.142 0.000 2.032 74 K HA -0.175 4.140 4.320 -0.009 0.000 0.209 74 K C 1.920 178.444 176.600 -0.127 0.000 1.048 74 K CA 1.161 57.381 56.287 -0.112 0.000 0.927 74 K CB -0.084 32.364 32.500 -0.087 0.000 0.712 74 K HN 0.355 nan 8.250 nan 0.000 0.441 75 E N 0.462 120.552 120.200 -0.184 0.000 2.077 75 E HA -0.157 4.188 4.350 -0.009 0.000 0.193 75 E C 2.196 178.670 176.600 -0.210 0.000 0.989 75 E CA 0.969 57.254 56.400 -0.191 0.000 0.800 75 E CB -0.277 29.282 29.700 -0.234 0.000 0.746 75 E HN 0.079 nan 8.360 nan 0.000 0.452 76 V N 1.819 121.525 119.914 -0.348 0.000 2.261 76 V HA -0.273 3.841 4.120 -0.009 0.000 0.246 76 V C 2.521 178.577 176.094 -0.063 0.000 1.047 76 V CA 1.980 64.135 62.300 -0.241 0.000 1.015 76 V CB -0.942 30.674 31.823 -0.344 0.000 0.642 76 V HN 0.267 nan 8.190 nan 0.000 0.446 77 A N -0.695 122.082 122.820 -0.072 0.000 1.940 77 A HA -0.256 4.059 4.320 -0.009 0.000 0.219 77 A C 2.563 180.164 177.584 0.028 0.000 1.176 77 A CA 2.332 54.364 52.037 -0.009 0.000 0.631 77 A CB -0.785 18.201 19.000 -0.023 0.000 0.814 77 A HN 0.509 nan 8.150 nan 0.000 0.446 78 S N -0.318 115.381 115.700 -0.002 0.000 2.368 78 S HA -0.176 4.289 4.470 -0.009 0.000 0.224 78 S C 1.570 176.193 174.600 0.039 0.000 1.029 78 S CA 1.686 59.891 58.200 0.009 0.000 0.988 78 S CB -0.494 62.696 63.200 -0.018 0.000 0.838 78 S HN 0.546 nan 8.310 nan 0.000 0.462 79 D N 0.750 121.184 120.400 0.058 0.000 2.219 79 D HA -0.040 4.595 4.640 -0.009 0.000 0.205 79 D C 2.246 178.672 176.300 0.209 0.000 0.970 79 D CA 1.558 55.625 54.000 0.112 0.000 0.851 79 D CB -0.641 40.261 40.800 0.171 0.000 0.943 79 D HN 0.709 nan 8.370 nan 0.000 0.488 80 T N -1.880 112.829 114.554 0.258 0.000 2.881 80 T HA -0.166 4.179 4.350 -0.009 0.000 0.270 80 T C 1.982 176.885 174.700 0.340 0.000 1.068 80 T CA 1.768 64.110 62.100 0.404 0.000 1.131 80 T CB -0.817 68.260 68.868 0.347 0.000 0.871 80 T HN 0.188 nan 8.240 nan 0.000 0.479 81 T N -0.247 114.419 114.554 0.186 0.000 3.007 81 T HA 0.056 4.401 4.350 -0.009 0.000 0.270 81 T C 1.742 176.439 174.700 -0.006 0.000 1.107 81 T CA 0.765 62.915 62.100 0.083 0.000 1.118 81 T CB -0.460 68.426 68.868 0.031 0.000 0.889 81 T HN 0.463 nan 8.240 nan 0.000 0.506 82 K N -0.139 120.239 120.400 -0.036 0.000 2.366 82 K HA 0.231 4.546 4.320 -0.009 0.000 0.198 82 K C -0.347 176.015 176.600 -0.396 0.000 1.044 82 K CA 0.275 56.424 56.287 -0.229 0.000 0.973 82 K CB 0.029 32.339 32.500 -0.316 0.000 0.767 82 K HN 0.388 nan 8.250 nan 0.000 0.475 83 F N 1.315 121.194 119.950 -0.118 0.000 2.420 83 F HA 0.182 4.704 4.527 -0.009 0.000 0.342 83 F C 0.699 176.330 175.800 -0.283 0.000 1.113 83 F CA -0.956 56.934 58.000 -0.183 0.000 1.059 83 F CB 1.403 40.195 39.000 -0.347 0.000 1.128 83 F HN -0.215 nan 8.300 nan 0.000 0.475 84 Q N 4.962 124.688 119.800 -0.123 0.000 2.945 84 Q HA -0.047 4.288 4.340 -0.009 0.000 0.323 84 Q C 1.319 176.851 176.000 -0.780 0.000 1.188 84 Q CA -0.096 55.511 55.803 -0.327 0.000 0.929 84 Q CB -0.366 28.287 28.738 -0.143 0.000 1.531 84 Q HN 0.907 nan 8.270 nan 0.000 0.444 85 W N -0.004 120.690 121.300 -1.010 0.000 2.374 85 W HA -0.129 4.527 4.660 -0.008 0.000 0.288 85 W C 0.764 176.763 176.519 -0.867 0.000 1.218 85 W CA 0.264 56.678 57.345 -1.550 0.000 1.245 85 W CB -0.501 28.193 29.460 -1.277 0.000 1.126 85 W HN 0.243 nan 8.180 nan 0.000 0.545 86 R N 0.882 120.722 120.500 -1.100 0.000 2.241 86 R HA -0.064 4.271 4.340 -0.009 0.000 0.224 86 R C 2.160 178.244 176.300 -0.360 0.000 1.101 86 R CA 1.511 57.154 56.100 -0.761 0.000 0.995 86 R CB -0.274 29.475 30.300 -0.919 0.000 0.870 86 R HN 0.076 nan 8.270 nan 0.000 0.463 87 S N -0.335 115.156 115.700 -0.347 0.000 2.558 87 S HA 0.063 4.528 4.470 -0.009 0.000 0.217 87 S C -0.123 174.543 174.600 0.110 0.000 0.975 87 S CA 0.088 58.221 58.200 -0.111 0.000 0.912 87 S CB 0.037 63.185 63.200 -0.086 0.000 0.776 87 S HN 0.134 nan 8.310 nan 0.000 0.526 88 Y N 2.606 122.910 120.300 0.006 0.000 2.379 88 Y HA 0.222 4.766 4.550 -0.009 0.000 0.337 88 Y C 1.724 177.655 175.900 0.051 0.000 1.238 88 Y CA -1.433 56.696 58.100 0.048 0.000 1.405 88 Y CB 0.301 38.821 38.460 0.099 0.000 1.310 88 Y HN 0.059 nan 8.280 nan 0.000 0.569 89 Q N 0.695 120.615 119.800 0.199 0.000 2.123 89 Q HA -0.070 4.264 4.340 -0.009 0.000 0.199 89 Q C 0.725 176.800 176.000 0.125 0.000 0.966 89 Q CA 0.677 56.551 55.803 0.118 0.000 0.845 89 Q CB -0.195 28.582 28.738 0.064 0.000 0.907 89 Q HN 0.537 nan 8.270 nan 0.000 0.439 90 S N 1.496 117.284 115.700 0.146 0.000 2.430 90 S HA 0.024 4.489 4.470 -0.009 0.000 0.282 90 S C 1.040 175.749 174.600 0.181 0.000 1.186 90 S CA -0.372 57.910 58.200 0.137 0.000 1.060 90 S CB 0.557 63.826 63.200 0.115 0.000 0.966 90 S HN 0.058 nan 8.310 nan 0.000 0.501 91 E N 3.747 124.029 120.200 0.137 0.000 2.110 91 E HA -0.160 4.184 4.350 -0.009 0.000 0.193 91 E C 1.315 178.008 176.600 0.155 0.000 0.988 91 E CA 1.259 57.740 56.400 0.136 0.000 0.804 91 E CB -0.193 29.559 29.700 0.088 0.000 0.745 91 E HN 0.865 nan 8.360 nan 0.000 0.458 92 D N 0.442 120.930 120.400 0.147 0.000 2.097 92 D HA -0.101 4.534 4.640 -0.009 0.000 0.195 92 D C 2.127 178.547 176.300 0.200 0.000 0.989 92 D CA 0.788 54.895 54.000 0.179 0.000 0.827 92 D CB -0.073 40.819 40.800 0.154 0.000 0.966 92 D HN 0.082 nan 8.370 nan 0.000 0.456 93 L N 0.002 121.354 121.223 0.214 0.000 2.056 93 L HA -0.119 4.216 4.340 -0.009 0.000 0.207 93 L C 2.546 179.651 176.870 0.392 0.000 1.078 93 L CA 1.077 56.093 54.840 0.293 0.000 0.749 93 L CB -0.419 41.864 42.059 0.373 0.000 0.901 93 L HN 0.038 nan 8.230 nan 0.000 0.433 94 K N -0.077 120.553 120.400 0.384 0.000 2.057 94 K HA -0.223 4.092 4.320 -0.009 0.000 0.207 94 K C 2.252 178.951 176.600 0.165 0.000 1.049 94 K CA 1.322 57.839 56.287 0.383 0.000 0.931 94 K CB -0.200 32.538 32.500 0.396 0.000 0.714 94 K HN 0.191 nan 8.250 nan 0.000 0.440 95 R N 1.464 122.057 120.500 0.155 0.000 2.081 95 R HA -0.159 4.176 4.340 -0.009 0.000 0.235 95 R C 2.185 178.492 176.300 0.012 0.000 1.131 95 R CA 1.523 57.687 56.100 0.107 0.000 0.960 95 R CB 0.044 30.452 30.300 0.180 0.000 0.856 95 R HN 0.269 nan 8.270 nan 0.000 0.436 96 Q N -0.733 119.042 119.800 -0.042 0.000 2.046 96 Q HA -0.165 4.170 4.340 -0.009 0.000 0.200 96 Q C 1.980 177.751 176.000 -0.382 0.000 0.975 96 Q CA 1.660 57.289 55.803 -0.289 0.000 0.836 96 Q CB -0.131 28.372 28.738 -0.392 0.000 0.896 96 Q HN 0.302 nan 8.270 nan 0.000 0.428 97 F N 1.253 120.948 119.950 -0.425 0.000 2.134 97 F HA -0.195 4.327 4.527 -0.008 0.000 0.299 97 F C 2.430 177.637 175.800 -0.989 0.000 1.097 97 F CA 1.388 58.939 58.000 -0.749 0.000 1.264 97 F CB -0.118 38.253 39.000 -1.049 0.000 1.001 97 F HN -0.028 nan 8.300 nan 0.000 0.479 98 K N 0.214 120.126 120.400 -0.812 0.000 2.063 98 K HA -0.188 4.127 4.320 -0.009 0.000 0.208 98 K C 2.263 178.710 176.600 -0.255 0.000 1.048 98 K CA 1.228 57.174 56.287 -0.569 0.000 0.928 98 K CB -0.339 32.015 32.500 -0.243 0.000 0.713 98 K HN 0.201 nan 8.250 nan 0.000 0.442 99 A N 1.064 123.759 122.820 -0.208 0.000 1.940 99 A HA -0.153 4.162 4.320 -0.009 0.000 0.219 99 A C 2.039 179.534 177.584 -0.147 0.000 1.176 99 A CA 1.417 53.367 52.037 -0.146 0.000 0.631 99 A CB -0.593 18.316 19.000 -0.152 0.000 0.814 99 A HN 0.333 nan 8.150 nan 0.000 0.446 100 L N -0.111 120.990 121.223 -0.204 0.000 2.291 100 L HA -0.106 4.229 4.340 -0.009 0.000 0.214 100 L C 2.799 179.610 176.870 -0.097 0.000 1.120 100 L CA 1.506 56.250 54.840 -0.159 0.000 0.799 100 L CB -0.660 41.271 42.059 -0.213 0.000 0.925 100 L HN 0.649 nan 8.230 nan 0.000 0.446 101 T N -3.260 111.236 114.554 -0.097 0.000 2.995 101 T HA -0.098 4.247 4.350 -0.009 0.000 0.269 101 T C 0.964 175.663 174.700 -0.002 0.000 1.091 101 T CA 0.320 62.410 62.100 -0.018 0.000 1.128 101 T CB -0.226 68.667 68.868 0.042 0.000 0.891 101 T HN 0.135 nan 8.240 nan 0.000 0.492 102 K N 1.436 121.831 120.400 -0.008 0.000 2.219 102 K HA 0.376 4.691 4.320 -0.009 0.000 0.280 102 K C 0.587 177.197 176.600 0.018 0.000 1.104 102 K CA -0.266 56.041 56.287 0.033 0.000 0.925 102 K CB 0.608 33.141 32.500 0.054 0.000 1.261 102 K HN 0.261 nan 8.250 nan 0.000 0.445 103 L N 1.777 123.014 121.223 0.024 0.000 2.240 103 L HA -0.047 4.288 4.340 -0.009 0.000 0.211 103 L C 1.452 178.334 176.870 0.020 0.000 1.106 103 L CA 0.873 55.717 54.840 0.007 0.000 0.793 103 L CB -0.560 41.499 42.059 -0.000 0.000 0.927 103 L HN 1.031 nan 8.230 nan 0.000 0.446 104 G N -0.333 108.494 108.800 0.044 0.000 2.611 104 G HA2 -0.406 3.549 3.960 -0.009 0.000 0.301 104 G HA3 -0.406 3.549 3.960 -0.009 0.000 0.301 104 G C 0.425 175.404 174.900 0.131 0.000 1.233 104 G CA 0.635 45.742 45.100 0.013 0.000 0.993 104 G HN 0.073 nan 8.290 nan 0.000 0.553 105 Y N 0.908 121.272 120.300 0.106 0.000 2.315 105 Y HA 0.111 4.655 4.550 -0.009 0.000 0.288 105 Y C 3.295 179.283 175.900 0.147 0.000 1.154 105 Y CA 1.576 59.788 58.100 0.186 0.000 1.229 105 Y CB -1.274 37.383 38.460 0.328 0.000 0.980 105 Y HN 0.730 nan 8.280 nan 0.000 0.540 106 A N -0.212 122.678 122.820 0.117 0.000 2.216 106 A HA 0.083 4.398 4.320 -0.009 0.000 0.214 106 A C 2.361 179.884 177.584 -0.101 0.000 1.160 106 A CA 1.107 53.023 52.037 -0.201 0.000 0.725 106 A CB -0.855 18.030 19.000 -0.191 0.000 0.784 106 A HN 0.336 nan 8.150 nan 0.000 0.472 107 A N -0.590 122.238 122.820 0.013 0.000 2.119 107 A HA 0.327 4.641 4.320 -0.009 0.000 0.216 107 A C 0.977 178.574 177.584 0.022 0.000 1.152 107 A CA 0.002 52.047 52.037 0.013 0.000 0.708 107 A CB -0.300 18.722 19.000 0.037 0.000 0.805 107 A HN 0.455 nan 8.150 nan 0.000 0.460 108 L N 0.815 122.075 121.223 0.062 0.000 2.461 108 L HA 0.177 4.511 4.340 -0.009 0.000 0.272 108 L C -2.101 174.799 176.870 0.050 0.000 1.197 108 L CA -1.848 53.037 54.840 0.076 0.000 0.836 108 L CB 0.274 42.422 42.059 0.148 0.000 1.105 108 L HN 0.060 nan 8.230 nan 0.000 0.477 109 P HA -0.073 nan 4.420 nan 0.000 0.267 109 P C 0.446 177.784 177.300 0.063 0.000 1.201 109 P CA 0.021 63.141 63.100 0.033 0.000 0.775 109 P CB 0.497 32.212 31.700 0.024 0.000 0.854 110 E N 1.408 121.638 120.200 0.050 0.000 2.086 110 E HA -0.318 4.026 4.350 -0.009 0.000 0.200 110 E C 0.874 177.535 176.600 0.101 0.000 1.012 110 E CA 1.842 58.287 56.400 0.076 0.000 0.812 110 E CB -0.114 29.614 29.700 0.047 0.000 0.743 110 E HN 0.402 nan 8.360 nan 0.000 0.453 111 D N 0.428 120.865 120.400 0.061 0.000 2.117 111 D HA -0.138 4.496 4.640 -0.009 0.000 0.197 111 D C 1.600 177.924 176.300 0.040 0.000 0.987 111 D CA 1.031 55.057 54.000 0.044 0.000 0.829 111 D CB -0.397 40.417 40.800 0.023 0.000 0.961 111 D HN 0.227 nan 8.370 nan 0.000 0.460 112 D N -0.556 119.872 120.400 0.046 0.000 2.144 112 D HA -0.153 4.481 4.640 -0.009 0.000 0.200 112 D C 1.886 178.208 176.300 0.037 0.000 0.978 112 D CA 0.561 54.577 54.000 0.027 0.000 0.833 112 D CB -0.346 40.468 40.800 0.024 0.000 0.961 112 D HN 0.268 nan 8.370 nan 0.000 0.470 113 Y N 1.518 121.802 120.300 -0.027 0.000 2.200 113 Y HA -0.118 4.426 4.550 -0.009 0.000 0.290 113 Y C 2.251 178.139 175.900 -0.021 0.000 1.137 113 Y CA 1.513 59.599 58.100 -0.023 0.000 1.163 113 Y CB -0.338 38.129 38.460 0.011 0.000 0.988 113 Y HN -0.057 nan 8.280 nan 0.000 0.518 114 A N 0.037 122.871 122.820 0.025 0.000 1.902 114 A HA -0.241 4.074 4.320 -0.009 0.000 0.217 114 A C 2.237 179.759 177.584 -0.102 0.000 1.181 114 A CA 1.882 53.892 52.037 -0.046 0.000 0.623 114 A CB -0.905 18.110 19.000 0.024 0.000 0.818 114 A HN 0.628 nan 8.150 nan 0.000 0.443 115 E N -0.652 119.504 120.200 -0.074 0.000 2.077 115 E HA -0.210 4.135 4.350 -0.009 0.000 0.193 115 E C 1.920 178.448 176.600 -0.120 0.000 0.989 115 E CA 1.359 57.714 56.400 -0.076 0.000 0.800 115 E CB -0.198 29.472 29.700 -0.050 0.000 0.746 115 E HN 0.433 nan 8.360 nan 0.000 0.452 116 L N 1.080 122.194 121.223 -0.181 0.000 2.012 116 L HA -0.183 4.151 4.340 -0.009 0.000 0.210 116 L C 2.197 178.918 176.870 -0.248 0.000 1.073 116 L CA 1.600 56.298 54.840 -0.237 0.000 0.748 116 L CB -0.575 41.266 42.059 -0.363 0.000 0.891 116 L HN 0.237 nan 8.230 nan 0.000 0.431 117 L N -0.652 120.368 121.223 -0.339 0.000 2.042 117 L HA -0.252 4.083 4.340 -0.009 0.000 0.210 117 L C 2.265 179.042 176.870 -0.155 0.000 1.076 117 L CA 1.471 56.148 54.840 -0.270 0.000 0.749 117 L CB -0.852 41.018 42.059 -0.316 0.000 0.893 117 L HN 0.309 nan 8.230 nan 0.000 0.432 118 D N -0.768 119.555 120.400 -0.129 0.000 2.117 118 D HA -0.133 4.502 4.640 -0.009 0.000 0.198 118 D C 2.207 178.475 176.300 -0.053 0.000 0.982 118 D CA 1.568 55.520 54.000 -0.079 0.000 0.828 118 D CB -0.161 40.603 40.800 -0.060 0.000 0.967 118 D HN 0.252 nan 8.370 nan 0.000 0.464 119 T N 1.008 115.528 114.554 -0.056 0.000 2.777 119 T HA -0.029 4.316 4.350 -0.009 0.000 0.266 119 T C 2.239 176.919 174.700 -0.033 0.000 1.040 119 T CA 0.445 62.530 62.100 -0.026 0.000 1.141 119 T CB -0.215 68.646 68.868 -0.011 0.000 0.868 119 T HN 0.105 nan 8.240 nan 0.000 0.444 120 L N 1.577 122.761 121.223 -0.066 0.000 2.012 120 L HA -0.142 4.193 4.340 -0.009 0.000 0.210 120 L C 2.943 179.801 176.870 -0.021 0.000 1.073 120 L CA 1.640 56.435 54.840 -0.076 0.000 0.748 120 L CB -0.783 41.235 42.059 -0.069 0.000 0.891 120 L HN 0.388 nan 8.230 nan 0.000 0.431 121 S N -0.192 115.503 115.700 -0.009 0.000 2.402 121 S HA -0.089 4.375 4.470 -0.009 0.000 0.229 121 S C 2.155 176.814 174.600 0.099 0.000 1.021 121 S CA 0.677 58.912 58.200 0.057 0.000 0.974 121 S CB -0.411 62.751 63.200 -0.063 0.000 0.800 121 S HN 0.356 nan 8.310 nan 0.000 0.484 122 A N 2.265 125.116 122.820 0.050 0.000 1.908 122 A HA 0.023 4.338 4.320 -0.009 0.000 0.218 122 A C 2.355 179.986 177.584 0.078 0.000 1.181 122 A CA 1.750 53.825 52.037 0.064 0.000 0.627 122 A CB -0.739 18.286 19.000 0.041 0.000 0.818 122 A HN 0.570 nan 8.150 nan 0.000 0.445 123 M N -1.593 118.041 119.600 0.058 0.000 2.156 123 M HA -0.102 4.372 4.480 -0.009 0.000 0.264 123 M C 2.251 178.601 176.300 0.084 0.000 1.067 123 M CA 1.799 57.136 55.300 0.062 0.000 1.131 123 M CB -0.348 32.262 32.600 0.018 0.000 1.368 123 M HN 0.614 nan 8.290 nan 0.000 0.416 124 E N 0.439 120.683 120.200 0.072 0.000 2.106 124 E HA -0.172 4.173 4.350 -0.009 0.000 0.192 124 E C 1.990 178.718 176.600 0.213 0.000 0.984 124 E CA 1.726 58.194 56.400 0.113 0.000 0.806 124 E CB 0.151 29.918 29.700 0.112 0.000 0.750 124 E HN 0.500 nan 8.360 nan 0.000 0.458 125 S N 0.241 116.062 115.700 0.201 0.000 2.368 125 S HA -0.194 4.270 4.470 -0.009 0.000 0.224 125 S C 1.831 176.516 174.600 0.142 0.000 1.029 125 S CA 1.247 59.552 58.200 0.175 0.000 0.988 125 S CB -0.582 62.746 63.200 0.213 0.000 0.838 125 S HN 0.304 nan 8.310 nan 0.000 0.462 126 N N 1.151 119.930 118.700 0.132 0.000 2.036 126 N HA -0.173 4.561 4.740 -0.009 0.000 0.195 126 N C 1.466 177.037 175.510 0.103 0.000 1.037 126 N CA 1.792 54.898 53.050 0.095 0.000 0.855 126 N CB -0.633 37.901 38.487 0.079 0.000 1.033 126 N HN 0.457 nan 8.380 nan 0.000 0.423 127 F N 0.709 120.678 119.950 0.031 0.000 2.095 127 F HA -0.104 4.417 4.527 -0.010 0.000 0.298 127 F C 2.196 178.069 175.800 0.123 0.000 1.104 127 F CA 1.709 59.745 58.000 0.061 0.000 1.232 127 F CB -0.602 38.459 39.000 0.102 0.000 0.987 127 F HN 0.157 nan 8.300 nan 0.000 0.475 128 A N -0.355 122.657 122.820 0.321 0.000 2.015 128 A HA -0.151 4.164 4.320 -0.009 0.000 0.219 128 A C 2.064 179.686 177.584 0.064 0.000 1.163 128 A CA 1.513 53.676 52.037 0.211 0.000 0.646 128 A CB -0.552 18.559 19.000 0.185 0.000 0.806 128 A HN 0.474 nan 8.150 nan 0.000 0.448 129 K N -0.316 120.110 120.400 0.042 0.000 2.404 129 K HA 0.207 4.522 4.320 -0.009 0.000 0.194 129 K C -0.271 176.326 176.600 -0.004 0.000 1.023 129 K CA -0.239 56.059 56.287 0.018 0.000 1.094 129 K CB 0.327 32.844 32.500 0.028 0.000 0.841 129 K HN 0.246 nan 8.250 nan 0.000 0.523 130 V N 3.300 123.187 119.914 -0.045 0.000 2.557 130 V HA -0.070 4.044 4.120 -0.009 0.000 0.301 130 V C 0.238 176.339 176.094 0.013 0.000 1.026 130 V CA 0.660 62.927 62.300 -0.056 0.000 1.137 130 V CB 0.218 31.945 31.823 -0.160 0.000 0.917 130 V HN 0.136 nan 8.190 nan 0.000 0.484 131 K N 4.103 124.519 120.400 0.026 0.000 2.422 131 K HA 0.710 5.024 4.320 -0.009 0.000 0.251 131 K C -0.785 175.860 176.600 0.075 0.000 0.933 131 K CA -0.537 55.784 56.287 0.057 0.000 0.798 131 K CB 2.449 34.977 32.500 0.047 0.000 1.238 131 K HN 0.535 nan 8.250 nan 0.000 0.428 132 V N -1.911 118.075 119.914 0.119 0.000 3.046 132 V HA 0.613 4.727 4.120 -0.009 0.000 0.316 132 V C -0.121 176.085 176.094 0.186 0.000 1.104 132 V CA -0.902 61.484 62.300 0.144 0.000 1.006 132 V CB 1.795 33.727 31.823 0.181 0.000 1.058 132 V HN 0.806 nan 8.190 nan 0.000 0.440 133 c N 2.272 120.995 118.600 0.205 0.000 2.463 133 c HA 0.381 4.946 4.570 -0.009 0.000 0.380 133 c C 0.451 174.733 174.090 0.321 0.000 1.264 133 c CA -0.170 56.291 56.329 0.220 0.000 2.161 133 c CB -0.023 42.593 42.510 0.176 0.000 2.515 133 c HN 1.024 nan 8.230 nan 0.000 0.565 134 D N 0.500 121.049 120.400 0.249 0.000 2.525 134 D HA -0.111 4.524 4.640 -0.009 0.000 0.235 134 D C 0.592 176.962 176.300 0.116 0.000 1.137 134 D CA 0.334 54.497 54.000 0.272 0.000 0.868 134 D CB 0.339 41.239 40.800 0.166 0.000 1.180 134 D HN 0.696 nan 8.370 nan 0.000 0.465 135 Y N 4.385 124.625 120.300 -0.099 0.000 2.256 135 Y HA -0.159 4.386 4.550 -0.009 0.000 0.288 135 Y C 1.659 177.354 175.900 -0.342 0.000 1.155 135 Y CA 1.672 59.406 58.100 -0.609 0.000 1.203 135 Y CB 0.256 38.432 38.460 -0.473 0.000 0.980 135 Y HN 0.404 nan 8.280 nan 0.000 0.530 136 K N -0.881 119.410 120.400 -0.182 0.000 2.353 136 K HA 0.067 4.382 4.320 -0.009 0.000 0.195 136 K C -0.404 176.113 176.600 -0.139 0.000 1.031 136 K CA 0.508 56.662 56.287 -0.222 0.000 1.079 136 K CB 0.581 33.035 32.500 -0.077 0.000 0.857 136 K HN 0.019 nan 8.250 nan 0.000 0.535 137 D N 0.218 120.567 120.400 -0.085 0.000 2.328 137 D HA 0.009 4.644 4.640 -0.009 0.000 0.243 137 D C 0.321 176.612 176.300 -0.016 0.000 1.324 137 D CA -0.183 53.792 54.000 -0.041 0.000 0.966 137 D CB 1.030 41.829 40.800 -0.001 0.000 1.324 137 D HN -0.012 nan 8.370 nan 0.000 0.549 138 S N 0.908 116.586 115.700 -0.035 0.000 2.595 138 S HA -0.073 4.392 4.470 -0.009 0.000 0.235 138 S C 1.263 175.875 174.600 0.019 0.000 0.974 138 S CA 0.781 58.980 58.200 -0.003 0.000 0.942 138 S CB -0.026 63.163 63.200 -0.018 0.000 0.766 138 S HN 0.336 nan 8.310 nan 0.000 0.536 139 T N 0.962 115.525 114.554 0.015 0.000 3.031 139 T HA 0.179 4.524 4.350 -0.009 0.000 0.254 139 T C 0.710 175.431 174.700 0.034 0.000 1.060 139 T CA 0.292 62.404 62.100 0.021 0.000 1.135 139 T CB -0.041 68.834 68.868 0.011 0.000 0.896 139 T HN 0.383 nan 8.240 nan 0.000 0.472 140 K N 1.804 122.229 120.400 0.043 0.000 2.250 140 K HA 0.250 4.565 4.320 -0.009 0.000 0.285 140 K C -0.908 175.740 176.600 0.081 0.000 1.097 140 K CA -0.251 56.070 56.287 0.056 0.000 0.913 140 K CB -0.118 32.417 32.500 0.059 0.000 1.179 140 K HN 0.202 nan 8.250 nan 0.000 0.462 141 c N 3.803 122.447 118.600 0.073 0.000 2.624 141 c HA 0.165 4.730 4.570 -0.009 0.000 0.263 141 c C 0.086 174.222 174.090 0.076 0.000 1.587 141 c CA -0.774 55.607 56.329 0.085 0.000 1.718 141 c CB -0.864 41.689 42.510 0.072 0.000 3.050 141 c HN 0.804 nan 8.230 nan 0.000 0.517 142 D N -0.602 119.843 120.400 0.075 0.000 2.623 142 D HA 0.161 4.795 4.640 -0.009 0.000 0.252 142 D C -0.203 176.136 176.300 0.065 0.000 1.294 142 D CA -0.246 53.790 54.000 0.060 0.000 0.824 142 D CB -0.035 40.792 40.800 0.045 0.000 1.070 142 D HN 0.185 nan 8.370 nan 0.000 0.487 143 L N 1.543 122.821 121.223 0.092 0.000 2.315 143 L HA 0.527 4.862 4.340 -0.009 0.000 0.283 143 L C 0.679 177.593 176.870 0.073 0.000 1.089 143 L CA -0.255 54.639 54.840 0.089 0.000 0.833 143 L CB 1.111 43.258 42.059 0.148 0.000 1.170 143 L HN 0.137 nan 8.230 nan 0.000 0.442 144 A N 2.676 125.519 122.820 0.038 0.000 2.269 144 A HA 0.458 4.773 4.320 -0.009 0.000 0.319 144 A C 0.996 178.574 177.584 -0.010 0.000 1.110 144 A CA -0.543 51.511 52.037 0.028 0.000 0.847 144 A CB 0.527 19.539 19.000 0.021 0.000 1.161 144 A HN 0.731 nan 8.150 nan 0.000 0.497 145 L N 0.072 121.279 121.223 -0.027 0.000 1.990 145 L HA -0.088 4.247 4.340 -0.009 0.000 0.213 145 L C 0.453 177.270 176.870 -0.088 0.000 1.072 145 L CA 2.349 57.098 54.840 -0.152 0.000 0.755 145 L CB -0.169 41.758 42.059 -0.219 0.000 0.889 145 L HN 0.730 nan 8.230 nan 0.000 0.432 146 D N -1.162 119.230 120.400 -0.014 0.000 2.414 146 D HA 0.284 4.918 4.640 -0.009 0.000 0.232 146 D C -2.026 174.277 176.300 0.005 0.000 1.070 146 D CA -2.245 51.760 54.000 0.008 0.000 0.839 146 D CB 1.607 42.435 40.800 0.048 0.000 1.079 146 D HN 0.133 nan 8.370 nan 0.000 0.521 147 P HA 0.165 nan 4.420 nan 0.000 0.268 147 P C 0.658 177.928 177.300 -0.050 0.000 1.248 147 P CA 0.129 63.218 63.100 -0.018 0.000 0.851 147 P CB 1.166 32.862 31.700 -0.005 0.000 1.238 148 E N 0.801 120.971 120.200 -0.051 0.000 2.017 148 E HA -0.110 4.234 4.350 -0.009 0.000 0.193 148 E C 2.035 178.535 176.600 -0.167 0.000 0.997 148 E CA 1.397 57.752 56.400 -0.075 0.000 0.804 148 E CB -0.915 28.767 29.700 -0.031 0.000 0.757 148 E HN 0.240 nan 8.360 nan 0.000 0.448 149 I N 0.801 121.255 120.570 -0.194 0.000 2.252 149 I HA -0.214 3.951 4.170 -0.009 0.000 0.245 149 I C 2.139 178.070 176.117 -0.310 0.000 1.102 149 I CA 1.115 62.217 61.300 -0.330 0.000 1.385 149 I CB -0.321 37.520 38.000 -0.265 0.000 1.064 149 I HN 0.098 nan 8.210 nan 0.000 0.414 150 E N 0.638 120.702 120.200 -0.227 0.000 2.153 150 E HA -0.278 4.067 4.350 -0.009 0.000 0.194 150 E C 1.979 178.504 176.600 -0.125 0.000 0.988 150 E CA 1.181 57.479 56.400 -0.170 0.000 0.811 150 E CB -0.033 29.612 29.700 -0.093 0.000 0.746 150 E HN 0.409 nan 8.360 nan 0.000 0.466 151 E N 0.679 120.807 120.200 -0.120 0.000 2.058 151 E HA -0.177 4.168 4.350 -0.009 0.000 0.194 151 E C 1.962 178.497 176.600 -0.109 0.000 0.997 151 E CA 1.336 57.681 56.400 -0.091 0.000 0.801 151 E CB -0.039 29.616 29.700 -0.076 0.000 0.746 151 E HN 0.019 nan 8.360 nan 0.000 0.450 152 V N 0.930 120.730 119.914 -0.189 0.000 2.270 152 V HA -0.227 3.887 4.120 -0.009 0.000 0.245 152 V C 2.378 178.400 176.094 -0.120 0.000 1.043 152 V CA 1.525 63.709 62.300 -0.192 0.000 1.014 152 V CB -0.499 31.068 31.823 -0.427 0.000 0.645 152 V HN 0.356 nan 8.190 nan 0.000 0.447 153 I N 1.544 122.028 120.570 -0.143 0.000 2.264 153 I HA -0.213 3.951 4.170 -0.009 0.000 0.248 153 I C 2.623 178.713 176.117 -0.044 0.000 1.111 153 I CA 2.355 63.609 61.300 -0.077 0.000 1.382 153 I CB -1.306 36.622 38.000 -0.120 0.000 1.060 153 I HN 0.565 nan 8.210 nan 0.000 0.418 154 S N -0.175 115.497 115.700 -0.046 0.000 2.446 154 S HA -0.026 4.438 4.470 -0.009 0.000 0.225 154 S C 1.823 176.418 174.600 -0.008 0.000 1.016 154 S CA 0.378 58.569 58.200 -0.014 0.000 0.943 154 S CB 0.052 63.248 63.200 -0.008 0.000 0.786 154 S HN 0.441 nan 8.310 nan 0.000 0.508 155 K N 0.733 121.123 120.400 -0.016 0.000 2.387 155 K HA 0.288 4.602 4.320 -0.009 0.000 0.197 155 K C 0.685 177.291 176.600 0.010 0.000 1.127 155 K CA 0.151 56.435 56.287 -0.004 0.000 0.950 155 K CB 0.389 32.884 32.500 -0.008 0.000 1.017 155 K HN 0.255 nan 8.250 nan 0.000 0.519 156 S N 1.120 116.829 115.700 0.014 0.000 2.562 156 S HA 0.091 4.555 4.470 -0.009 0.000 0.281 156 S C 0.517 175.164 174.600 0.078 0.000 1.333 156 S CA -0.289 57.938 58.200 0.045 0.000 1.052 156 S CB 0.449 63.677 63.200 0.047 0.000 0.884 156 S HN 0.122 nan 8.310 nan 0.000 0.506 157 R N 2.683 123.253 120.500 0.116 0.000 2.652 157 R HA 0.246 4.581 4.340 -0.009 0.000 0.372 157 R C -0.684 175.795 176.300 0.300 0.000 1.104 157 R CA -0.308 55.925 56.100 0.221 0.000 1.072 157 R CB -0.420 29.983 30.300 0.171 0.000 1.367 157 R HN 0.589 nan 8.270 nan 0.000 0.577 158 D N 1.097 121.607 120.400 0.182 0.000 2.428 158 D HA 0.006 4.641 4.640 -0.009 0.000 0.221 158 D C 1.177 177.509 176.300 0.053 0.000 1.123 158 D CA -0.303 53.762 54.000 0.109 0.000 0.869 158 D CB 0.645 41.468 40.800 0.040 0.000 1.032 158 D HN 0.363 nan 8.370 nan 0.000 0.506 159 H N 2.138 121.281 119.070 0.123 0.000 2.422 159 H HA -0.048 4.502 4.556 -0.009 0.000 0.298 159 H C 1.088 176.455 175.328 0.065 0.000 1.098 159 H CA 1.358 57.391 56.048 -0.024 0.000 1.315 159 H CB 0.149 29.803 29.762 -0.180 0.000 1.382 159 H HN 0.406 nan 8.280 nan 0.000 0.523 160 E N 0.425 120.402 120.200 -0.372 0.000 2.158 160 E HA -0.142 4.202 4.350 -0.009 0.000 0.191 160 E C 2.073 178.521 176.600 -0.253 0.000 0.982 160 E CA 0.741 57.022 56.400 -0.199 0.000 0.823 160 E CB 0.053 29.638 29.700 -0.192 0.000 0.766 160 E HN 0.743 nan 8.360 nan 0.000 0.468 161 E N 1.339 121.303 120.200 -0.394 0.000 2.051 161 E HA -0.191 4.154 4.350 -0.009 0.000 0.192 161 E C 2.185 178.693 176.600 -0.154 0.000 0.991 161 E CA 0.716 56.682 56.400 -0.724 0.000 0.799 161 E CB -0.005 29.451 29.700 -0.407 0.000 0.748 161 E HN 0.162 nan 8.360 nan 0.000 0.449 162 L N 0.559 121.805 121.223 0.040 0.000 2.012 162 L HA -0.217 4.118 4.340 -0.009 0.000 0.210 162 L C 2.723 179.740 176.870 0.245 0.000 1.073 162 L CA 1.335 56.294 54.840 0.197 0.000 0.748 162 L CB -0.528 41.629 42.059 0.164 0.000 0.891 162 L HN 0.243 nan 8.230 nan 0.000 0.431 163 A N -0.913 122.003 122.820 0.160 0.000 1.933 163 A HA -0.280 4.035 4.320 -0.009 0.000 0.218 163 A C 2.185 179.793 177.584 0.041 0.000 1.175 163 A CA 1.566 53.561 52.037 -0.071 0.000 0.628 163 A CB -0.867 17.986 19.000 -0.245 0.000 0.814 163 A HN 0.513 nan 8.150 nan 0.000 0.444 164 Y N -0.817 119.415 120.300 -0.113 0.000 2.097 164 Y HA -0.287 4.258 4.550 -0.009 0.000 0.282 164 Y C 2.133 177.985 175.900 -0.079 0.000 1.152 164 Y CA 2.138 60.149 58.100 -0.149 0.000 1.136 164 Y CB -0.577 37.670 38.460 -0.354 0.000 0.975 164 Y HN 0.348 nan 8.280 nan 0.000 0.498 165 Y N -1.606 118.689 120.300 -0.009 0.000 2.293 165 Y HA -0.212 4.333 4.550 -0.008 0.000 0.291 165 Y C 2.337 178.264 175.900 0.045 0.000 1.137 165 Y CA 1.487 59.557 58.100 -0.049 0.000 1.202 165 Y CB -1.126 37.367 38.460 0.056 0.000 0.990 165 Y HN 0.392 nan 8.280 nan 0.000 0.537 166 W N 0.995 122.349 121.300 0.090 0.000 2.333 166 W HA -0.225 4.430 4.660 -0.008 0.000 0.316 166 W C 2.773 179.367 176.519 0.124 0.000 1.215 166 W CA 2.268 59.679 57.345 0.111 0.000 1.278 166 W CB -0.261 29.172 29.460 -0.046 0.000 1.154 166 W HN -0.149 nan 8.180 nan 0.000 0.486 167 R N 0.288 121.038 120.500 0.417 0.000 2.073 167 R HA -0.180 4.154 4.340 -0.009 0.000 0.234 167 R C 2.121 178.440 176.300 0.032 0.000 1.134 167 R CA 1.799 58.061 56.100 0.269 0.000 0.952 167 R CB -0.461 29.932 30.300 0.154 0.000 0.850 167 R HN 0.116 nan 8.270 nan 0.000 0.433 168 E N 0.058 120.186 120.200 -0.119 0.000 2.051 168 E HA -0.215 4.129 4.350 -0.009 0.000 0.192 168 E C 1.706 178.284 176.600 -0.037 0.000 0.991 168 E CA 1.117 57.424 56.400 -0.155 0.000 0.799 168 E CB -0.454 29.031 29.700 -0.357 0.000 0.748 168 E HN 0.293 nan 8.360 nan 0.000 0.449 169 F N 0.560 120.440 119.950 -0.117 0.000 2.075 169 F HA -0.237 4.284 4.527 -0.009 0.000 0.297 169 F C 2.195 177.875 175.800 -0.201 0.000 1.113 169 F CA 1.354 59.260 58.000 -0.157 0.000 1.218 169 F CB -0.539 38.346 39.000 -0.192 0.000 0.984 169 F HN -0.025 nan 8.300 nan 0.000 0.472 170 Y N 0.855 120.914 120.300 -0.402 0.000 2.224 170 Y HA -0.236 4.309 4.550 -0.008 0.000 0.289 170 Y C 2.400 178.118 175.900 -0.303 0.000 1.146 170 Y CA 1.757 59.575 58.100 -0.471 0.000 1.182 170 Y CB -0.902 37.115 38.460 -0.739 0.000 0.983 170 Y HN 0.083 nan 8.280 nan 0.000 0.524 171 D N -0.142 120.223 120.400 -0.057 0.000 2.123 171 D HA -0.148 4.486 4.640 -0.009 0.000 0.196 171 D C 1.872 178.115 176.300 -0.095 0.000 0.992 171 D CA 1.509 55.489 54.000 -0.033 0.000 0.833 171 D CB -0.154 40.642 40.800 -0.006 0.000 0.954 171 D HN 0.350 nan 8.370 nan 0.000 0.455 172 K N -0.053 120.234 120.400 -0.188 0.000 2.166 172 K HA 0.190 4.505 4.320 -0.009 0.000 0.201 172 K C 1.929 178.357 176.600 -0.286 0.000 1.052 172 K CA 0.764 56.931 56.287 -0.199 0.000 0.969 172 K CB 0.267 32.656 32.500 -0.185 0.000 0.761 172 K HN -0.006 nan 8.250 nan 0.000 0.459 173 A N 0.731 123.228 122.820 -0.537 0.000 2.044 173 A HA 0.150 4.465 4.320 -0.009 0.000 0.213 173 A C 1.978 179.395 177.584 -0.277 0.000 1.169 173 A CA 1.126 52.838 52.037 -0.542 0.000 0.724 173 A CB -0.194 18.089 19.000 -1.194 0.000 0.840 173 A HN 0.346 nan 8.150 nan 0.000 0.463 174 G N -1.113 107.523 108.800 -0.273 0.000 2.724 174 G HA2 0.103 4.057 3.960 -0.009 0.000 0.217 174 G HA3 0.103 4.057 3.960 -0.009 0.000 0.217 174 G C 1.414 176.327 174.900 0.023 0.000 1.251 174 G CA 1.156 46.163 45.100 -0.154 0.000 0.867 174 G HN 0.278 nan 8.290 nan 0.000 0.590 175 T N 2.255 116.844 114.554 0.057 0.000 2.759 175 T HA -0.073 4.272 4.350 -0.009 0.000 0.269 175 T C 2.641 177.405 174.700 0.107 0.000 1.042 175 T CA 1.598 63.785 62.100 0.145 0.000 1.140 175 T CB -0.379 68.559 68.868 0.116 0.000 0.864 175 T HN 0.365 nan 8.240 nan 0.000 0.455 176 A N 1.187 124.035 122.820 0.047 0.000 2.070 176 A HA 0.009 4.324 4.320 -0.009 0.000 0.220 176 A C 2.169 179.788 177.584 0.060 0.000 1.159 176 A CA 1.470 53.528 52.037 0.036 0.000 0.656 176 A CB -0.583 18.417 19.000 0.001 0.000 0.800 176 A HN 0.573 nan 8.150 nan 0.000 0.453 177 V N -3.743 116.230 119.914 0.099 0.000 3.085 177 V HA 0.298 4.412 4.120 -0.009 0.000 0.345 177 V C 1.486 177.685 176.094 0.175 0.000 1.397 177 V CA 0.333 62.712 62.300 0.130 0.000 1.165 177 V CB -0.548 31.360 31.823 0.143 0.000 1.153 177 V HN 0.503 nan 8.190 nan 0.000 0.495 178 R N 2.284 122.846 120.500 0.103 0.000 2.094 178 R HA -0.192 4.142 4.340 -0.009 0.000 0.239 178 R C 2.456 178.726 176.300 -0.049 0.000 1.137 178 R CA 2.543 58.572 56.100 -0.119 0.000 0.943 178 R CB -0.406 29.742 30.300 -0.253 0.000 0.850 178 R HN 0.785 nan 8.270 nan 0.000 0.433 179 S N 0.071 115.765 115.700 -0.011 0.000 2.368 179 S HA -0.189 4.276 4.470 -0.009 0.000 0.225 179 S C 1.910 176.546 174.600 0.061 0.000 1.030 179 S CA 1.219 59.419 58.200 -0.001 0.000 0.999 179 S CB -0.261 62.934 63.200 -0.008 0.000 0.844 179 S HN 0.396 nan 8.310 nan 0.000 0.459 180 Q N 0.366 120.227 119.800 0.100 0.000 2.084 180 Q HA 0.134 4.468 4.340 -0.009 0.000 0.202 180 Q C 1.815 177.941 176.000 0.209 0.000 0.978 180 Q CA 1.551 57.427 55.803 0.122 0.000 0.844 180 Q CB -0.628 28.177 28.738 0.110 0.000 0.898 180 Q HN 0.654 nan 8.270 nan 0.000 0.426 181 F N 1.412 121.454 119.950 0.155 0.000 2.134 181 F HA -0.191 4.330 4.527 -0.009 0.000 0.299 181 F C 1.828 177.853 175.800 0.374 0.000 1.097 181 F CA 1.456 59.645 58.000 0.314 0.000 1.264 181 F CB 0.091 39.326 39.000 0.392 0.000 1.001 181 F HN 0.092 nan 8.300 nan 0.000 0.479 182 E N -0.470 119.949 120.200 0.364 0.000 2.085 182 E HA -0.286 4.059 4.350 -0.009 0.000 0.194 182 E C 2.221 178.892 176.600 0.118 0.000 0.994 182 E CA 1.240 57.793 56.400 0.255 0.000 0.801 182 E CB -0.204 29.497 29.700 0.002 0.000 0.743 182 E HN 0.129 nan 8.360 nan 0.000 0.453 183 R N 0.424 120.968 120.500 0.073 0.000 2.092 183 R HA -0.164 4.171 4.340 -0.009 0.000 0.231 183 R C 2.110 178.411 176.300 0.001 0.000 1.119 183 R CA 1.256 57.370 56.100 0.022 0.000 0.970 183 R CB -0.773 29.536 30.300 0.015 0.000 0.864 183 R HN 0.303 nan 8.270 nan 0.000 0.440 184 Y N -0.120 120.111 120.300 -0.116 0.000 2.128 184 Y HA -0.181 4.364 4.550 -0.008 0.000 0.284 184 Y C 1.781 177.563 175.900 -0.197 0.000 1.154 184 Y CA 1.883 59.863 58.100 -0.198 0.000 1.149 184 Y CB -0.637 37.667 38.460 -0.260 0.000 0.976 184 Y HN -0.113 nan 8.280 nan 0.000 0.505 185 V N 1.229 120.836 119.914 -0.512 0.000 2.287 185 V HA -0.320 3.794 4.120 -0.009 0.000 0.248 185 V C 2.303 178.259 176.094 -0.229 0.000 1.053 185 V CA 2.369 64.422 62.300 -0.411 0.000 1.027 185 V CB -0.719 31.070 31.823 -0.056 0.000 0.646 185 V HN 0.475 nan 8.190 nan 0.000 0.447 186 E N -0.077 120.057 120.200 -0.110 0.000 2.058 186 E HA -0.225 4.119 4.350 -0.009 0.000 0.194 186 E C 2.192 178.708 176.600 -0.141 0.000 0.997 186 E CA 1.509 57.859 56.400 -0.084 0.000 0.801 186 E CB -0.220 29.454 29.700 -0.044 0.000 0.746 186 E HN 0.505 nan 8.360 nan 0.000 0.450 187 L N 1.180 122.294 121.223 -0.181 0.000 2.179 187 L HA -0.117 4.217 4.340 -0.009 0.000 0.208 187 L C 2.465 179.172 176.870 -0.272 0.000 1.096 187 L CA 0.467 55.191 54.840 -0.194 0.000 0.779 187 L CB -0.451 41.496 42.059 -0.187 0.000 0.922 187 L HN 0.208 nan 8.230 nan 0.000 0.443 188 N N 0.094 118.546 118.700 -0.413 0.000 2.104 188 N HA -0.181 4.554 4.740 -0.009 0.000 0.190 188 N C 1.619 176.900 175.510 -0.383 0.000 1.024 188 N CA 2.157 54.927 53.050 -0.466 0.000 0.853 188 N CB 0.036 38.021 38.487 -0.837 0.000 1.008 188 N HN 0.233 nan 8.380 nan 0.000 0.424 189 T N 1.049 115.396 114.554 -0.345 0.000 2.737 189 T HA -0.111 4.234 4.350 -0.009 0.000 0.265 189 T C 1.909 176.533 174.700 -0.127 0.000 1.038 189 T CA 1.181 63.145 62.100 -0.226 0.000 1.144 189 T CB -0.137 68.651 68.868 -0.134 0.000 0.866 189 T HN 0.352 nan 8.240 nan 0.000 0.434 190 K N 1.091 121.428 120.400 -0.105 0.000 2.063 190 K HA -0.084 4.231 4.320 -0.009 0.000 0.208 190 K C 2.493 179.076 176.600 -0.028 0.000 1.048 190 K CA 1.283 57.536 56.287 -0.057 0.000 0.928 190 K CB -0.335 32.134 32.500 -0.052 0.000 0.713 190 K HN 0.284 nan 8.250 nan 0.000 0.442 191 A N 1.043 123.849 122.820 -0.023 0.000 1.877 191 A HA -0.123 4.191 4.320 -0.009 0.000 0.216 191 A C 2.357 179.981 177.584 0.068 0.000 1.186 191 A CA 1.961 54.035 52.037 0.062 0.000 0.620 191 A CB -0.964 18.149 19.000 0.188 0.000 0.822 191 A HN 0.489 nan 8.150 nan 0.000 0.443 192 A N -0.176 122.654 122.820 0.016 0.000 1.883 192 A HA -0.210 4.105 4.320 -0.009 0.000 0.217 192 A C 2.119 179.766 177.584 0.105 0.000 1.186 192 A CA 1.958 54.034 52.037 0.065 0.000 0.624 192 A CB -0.484 18.473 19.000 -0.071 0.000 0.822 192 A HN 0.560 nan 8.150 nan 0.000 0.444 193 K N -0.583 119.834 120.400 0.029 0.000 2.148 193 K HA 0.044 4.358 4.320 -0.009 0.000 0.204 193 K C 1.733 178.332 176.600 -0.001 0.000 1.050 193 K CA 1.035 57.329 56.287 0.011 0.000 0.942 193 K CB -0.308 32.188 32.500 -0.008 0.000 0.724 193 K HN 0.455 nan 8.250 nan 0.000 0.446 194 L N 1.219 122.448 121.223 0.009 0.000 2.275 194 L HA -0.132 4.202 4.340 -0.009 0.000 0.215 194 L C 1.407 178.273 176.870 -0.007 0.000 1.119 194 L CA 0.751 55.592 54.840 0.002 0.000 0.790 194 L CB -0.171 41.897 42.059 0.015 0.000 0.919 194 L HN 0.230 nan 8.230 nan 0.000 0.443 195 N N 0.134 118.841 118.700 0.011 0.000 2.322 195 N HA -0.024 4.710 4.740 -0.009 0.000 0.194 195 N C -0.018 175.346 175.510 -0.243 0.000 1.126 195 N CA 0.112 53.135 53.050 -0.044 0.000 0.845 195 N CB 0.257 38.811 38.487 0.112 0.000 0.976 195 N HN 0.211 nan 8.380 nan 0.000 0.475 196 N N 0.058 118.662 118.700 -0.160 0.000 2.782 196 N HA -0.182 4.552 4.740 -0.009 0.000 0.251 196 N C -0.856 174.487 175.510 -0.278 0.000 1.101 196 N CA 0.717 53.648 53.050 -0.199 0.000 0.764 196 N CB -1.759 36.606 38.487 -0.203 0.000 1.122 196 N HN 0.196 nan 8.380 nan 0.000 0.561 197 F N 0.204 120.133 119.950 -0.035 0.000 2.371 197 F HA 0.240 4.761 4.527 -0.009 0.000 0.329 197 F C 2.354 178.120 175.800 -0.055 0.000 1.107 197 F CA -0.261 57.711 58.000 -0.046 0.000 1.137 197 F CB 0.541 39.503 39.000 -0.064 0.000 1.214 197 F HN -0.188 nan 8.300 nan 0.000 0.536 198 T N -0.142 114.504 114.554 0.154 0.000 2.746 198 T HA -0.065 4.279 4.350 -0.009 0.000 0.267 198 T C 0.580 175.295 174.700 0.026 0.000 1.039 198 T CA 1.644 63.780 62.100 0.060 0.000 1.142 198 T CB -0.214 68.678 68.868 0.040 0.000 0.866 198 T HN 0.652 nan 8.240 nan 0.000 0.444 199 S N -1.473 114.228 115.700 0.002 0.000 2.703 199 S HA 0.561 5.025 4.470 -0.009 0.000 0.273 199 S C 1.178 175.634 174.600 -0.239 0.000 1.178 199 S CA -0.217 57.926 58.200 -0.095 0.000 0.838 199 S CB 1.053 64.226 63.200 -0.045 0.000 1.178 199 S HN 0.111 nan 8.310 nan 0.000 0.494 200 G N 0.347 108.841 108.800 -0.509 0.000 2.470 200 G HA2 0.182 4.137 3.960 -0.009 0.000 0.220 200 G HA3 0.182 4.137 3.960 -0.009 0.000 0.220 200 G C 1.389 175.906 174.900 -0.639 0.000 1.121 200 G CA 1.006 45.567 45.100 -0.900 0.000 0.766 200 G HN 1.251 nan 8.290 nan 0.000 0.553 201 A N 1.092 123.801 122.820 -0.185 0.000 1.877 201 A HA 0.003 4.317 4.320 -0.009 0.000 0.216 201 A C 2.204 179.644 177.584 -0.240 0.000 1.186 201 A CA 2.032 54.011 52.037 -0.098 0.000 0.620 201 A CB -0.323 18.554 19.000 -0.204 0.000 0.822 201 A HN 0.320 nan 8.150 nan 0.000 0.443 202 E N 0.066 120.117 120.200 -0.249 0.000 2.106 202 E HA 0.027 4.371 4.350 -0.009 0.000 0.192 202 E C 2.191 178.440 176.600 -0.585 0.000 0.984 202 E CA 1.180 57.434 56.400 -0.244 0.000 0.806 202 E CB -0.472 29.211 29.700 -0.028 0.000 0.750 202 E HN 0.571 nan 8.360 nan 0.000 0.458 203 A N 0.429 122.761 122.820 -0.814 0.000 1.883 203 A HA -0.192 4.123 4.320 -0.009 0.000 0.217 203 A C 1.736 179.069 177.584 -0.418 0.000 1.186 203 A CA 1.363 52.738 52.037 -1.103 0.000 0.624 203 A CB -0.922 17.672 19.000 -0.677 0.000 0.822 203 A HN 0.314 nan 8.150 nan 0.000 0.444 204 W N -0.075 121.064 121.300 -0.269 0.000 2.355 204 W HA -0.040 4.615 4.660 -0.008 0.000 0.309 204 W C 2.092 178.591 176.519 -0.034 0.000 1.206 204 W CA 0.826 58.131 57.345 -0.067 0.000 1.284 204 W CB -1.312 28.268 29.460 0.200 0.000 1.145 204 W HN 0.263 nan 8.180 nan 0.000 0.502 205 L N 0.022 121.379 121.223 0.224 0.000 2.265 205 L HA -0.204 4.130 4.340 -0.009 0.000 0.215 205 L C 1.974 178.909 176.870 0.108 0.000 1.117 205 L CA 1.543 56.527 54.840 0.239 0.000 0.782 205 L CB -0.794 41.312 42.059 0.077 0.000 0.914 205 L HN -0.084 nan 8.230 nan 0.000 0.441 206 D N 0.097 120.464 120.400 -0.056 0.000 2.221 206 D HA -0.211 4.424 4.640 -0.009 0.000 0.204 206 D C 1.970 178.229 176.300 -0.068 0.000 0.982 206 D CA 0.886 54.867 54.000 -0.033 0.000 0.857 206 D CB 0.188 40.934 40.800 -0.090 0.000 0.934 206 D HN 0.191 nan 8.370 nan 0.000 0.475 207 E N -0.673 119.408 120.200 -0.198 0.000 2.333 207 E HA -0.173 4.171 4.350 -0.009 0.000 0.198 207 E C 1.032 177.324 176.600 -0.514 0.000 1.007 207 E CA 0.652 56.825 56.400 -0.379 0.000 0.845 207 E CB -0.254 29.120 29.700 -0.544 0.000 0.766 207 E HN 0.626 nan 8.360 nan 0.000 0.507 208 Y N 0.490 120.663 120.300 -0.211 0.000 2.457 208 Y HA 0.138 4.682 4.550 -0.009 0.000 0.263 208 Y C 0.315 176.200 175.900 -0.026 0.000 1.164 208 Y CA -0.205 57.668 58.100 -0.378 0.000 1.274 208 Y CB 0.084 37.796 38.460 -1.247 0.000 1.097 208 Y HN -0.058 nan 8.280 nan 0.000 0.523 209 E N 1.493 121.758 120.200 0.108 0.000 2.238 209 E HA -0.267 4.078 4.350 -0.009 0.000 0.219 209 E C -0.868 175.834 176.600 0.169 0.000 1.275 209 E CA 0.875 57.352 56.400 0.128 0.000 0.714 209 E CB -1.008 28.748 29.700 0.093 0.000 1.154 209 E HN 0.312 nan 8.360 nan 0.000 0.363 210 D N 0.244 120.767 120.400 0.204 0.000 2.591 210 D HA 0.030 4.665 4.640 -0.009 0.000 0.222 210 D C 0.039 176.493 176.300 0.256 0.000 1.360 210 D CA -0.440 53.718 54.000 0.264 0.000 0.967 210 D CB 0.844 41.930 40.800 0.476 0.000 1.456 210 D HN 0.033 nan 8.370 nan 0.000 0.588 211 D N 1.317 121.828 120.400 0.185 0.000 2.378 211 D HA -0.093 4.542 4.640 -0.009 0.000 0.227 211 D C 1.114 177.509 176.300 0.158 0.000 1.012 211 D CA 0.556 54.648 54.000 0.154 0.000 0.905 211 D CB -0.173 40.693 40.800 0.110 0.000 0.895 211 D HN 0.301 nan 8.370 nan 0.000 0.532 212 T N -4.441 110.233 114.554 0.199 0.000 3.182 212 T HA 0.180 4.524 4.350 -0.009 0.000 0.277 212 T C 1.057 175.885 174.700 0.214 0.000 1.013 212 T CA -0.719 61.485 62.100 0.173 0.000 0.900 212 T CB -0.857 68.093 68.868 0.138 0.000 1.098 212 T HN -0.049 nan 8.240 nan 0.000 0.543 213 F N 2.688 122.702 119.950 0.108 0.000 2.134 213 F HA 0.057 4.579 4.527 -0.009 0.000 0.299 213 F C 2.110 177.946 175.800 0.059 0.000 1.097 213 F CA 1.443 59.498 58.000 0.091 0.000 1.264 213 F CB -0.067 38.986 39.000 0.089 0.000 1.001 213 F HN 0.249 nan 8.300 nan 0.000 0.479 214 E N -0.692 119.603 120.200 0.158 0.000 2.051 214 E HA -0.309 4.036 4.350 -0.009 0.000 0.192 214 E C 2.102 178.773 176.600 0.119 0.000 0.991 214 E CA 1.420 57.905 56.400 0.142 0.000 0.799 214 E CB -0.303 29.461 29.700 0.108 0.000 0.748 214 E HN 0.291 nan 8.360 nan 0.000 0.449 215 Q N 1.035 120.892 119.800 0.095 0.000 2.124 215 Q HA -0.190 4.145 4.340 -0.009 0.000 0.202 215 Q C 1.913 177.944 176.000 0.053 0.000 0.977 215 Q CA 1.610 57.467 55.803 0.091 0.000 0.850 215 Q CB -0.025 28.763 28.738 0.083 0.000 0.901 215 Q HN 0.289 nan 8.270 nan 0.000 0.429 216 Q N -0.611 119.181 119.800 -0.012 0.000 2.096 216 Q HA -0.149 4.186 4.340 -0.009 0.000 0.204 216 Q C 2.072 177.995 176.000 -0.128 0.000 0.982 216 Q CA 1.532 57.291 55.803 -0.074 0.000 0.850 216 Q CB -0.123 28.530 28.738 -0.140 0.000 0.901 216 Q HN 0.400 nan 8.270 nan 0.000 0.422 217 L N 0.448 121.540 121.223 -0.217 0.000 2.109 217 L HA -0.158 4.177 4.340 -0.009 0.000 0.207 217 L C 2.331 179.214 176.870 0.020 0.000 1.086 217 L CA 0.690 55.377 54.840 -0.255 0.000 0.760 217 L CB -0.322 41.447 42.059 -0.483 0.000 0.910 217 L HN 0.182 nan 8.230 nan 0.000 0.437 218 E N 0.339 120.676 120.200 0.228 0.000 2.085 218 E HA -0.226 4.119 4.350 -0.009 0.000 0.194 218 E C 1.721 178.481 176.600 0.267 0.000 0.994 218 E CA 1.382 58.007 56.400 0.374 0.000 0.801 218 E CB -0.252 29.622 29.700 0.290 0.000 0.743 218 E HN 0.500 nan 8.360 nan 0.000 0.453 219 D N 0.586 121.072 120.400 0.143 0.000 2.097 219 D HA -0.092 4.542 4.640 -0.009 0.000 0.195 219 D C 2.193 178.539 176.300 0.077 0.000 0.989 219 D CA 0.683 54.740 54.000 0.095 0.000 0.827 219 D CB -0.344 40.491 40.800 0.059 0.000 0.966 219 D HN 0.185 nan 8.370 nan 0.000 0.456 220 I N 0.152 120.753 120.570 0.052 0.000 2.179 220 I HA -0.245 3.920 4.170 -0.009 0.000 0.242 220 I C 2.230 178.389 176.117 0.070 0.000 1.088 220 I CA 0.648 61.964 61.300 0.027 0.000 1.357 220 I CB -0.202 37.780 38.000 -0.029 0.000 1.051 220 I HN -0.102 nan 8.210 nan 0.000 0.409 221 F N 1.918 121.864 119.950 -0.008 0.000 2.126 221 F HA -0.267 4.255 4.527 -0.009 0.000 0.299 221 F C 2.465 178.320 175.800 0.091 0.000 1.096 221 F CA 1.456 59.489 58.000 0.055 0.000 1.255 221 F CB -0.443 38.671 39.000 0.190 0.000 0.997 221 F HN 0.016 nan 8.300 nan 0.000 0.479 222 A N -0.132 122.712 122.820 0.040 0.000 1.978 222 A HA -0.202 4.113 4.320 -0.009 0.000 0.220 222 A C 1.951 179.468 177.584 -0.112 0.000 1.170 222 A CA 1.991 53.990 52.037 -0.063 0.000 0.636 222 A CB -0.953 18.082 19.000 0.058 0.000 0.810 222 A HN 0.459 nan 8.150 nan 0.000 0.448 223 D N -0.097 120.264 120.400 -0.066 0.000 2.144 223 D HA -0.088 4.547 4.640 -0.009 0.000 0.200 223 D C 1.671 177.919 176.300 -0.086 0.000 0.978 223 D CA 0.959 54.926 54.000 -0.055 0.000 0.833 223 D CB -0.131 40.657 40.800 -0.020 0.000 0.961 223 D HN 0.407 nan 8.370 nan 0.000 0.470 224 I N 0.136 120.623 120.570 -0.138 0.000 3.228 224 I HA 0.038 4.203 4.170 -0.009 0.000 0.279 224 I C 2.257 178.262 176.117 -0.186 0.000 1.221 224 I CA 0.176 61.396 61.300 -0.134 0.000 1.458 224 I CB -0.669 37.268 38.000 -0.105 0.000 1.105 224 I HN -0.053 nan 8.210 nan 0.000 0.445 225 R N 1.767 122.050 120.500 -0.362 0.000 2.103 225 R HA -0.175 4.160 4.340 -0.009 0.000 0.242 225 R C -0.449 175.805 176.300 -0.076 0.000 1.142 225 R CA 2.070 57.960 56.100 -0.349 0.000 0.960 225 R CB -0.994 28.993 30.300 -0.521 0.000 0.858 225 R HN 0.204 nan 8.270 nan 0.000 0.439 226 P HA -0.165 nan 4.420 nan 0.000 0.216 226 P C 1.168 178.474 177.300 0.010 0.000 1.150 226 P CA 0.883 63.966 63.100 -0.028 0.000 0.837 226 P CB -0.075 31.603 31.700 -0.037 0.000 0.786 227 L N -1.383 119.846 121.223 0.009 0.000 2.046 227 L HA -0.179 4.155 4.340 -0.009 0.000 0.208 227 L C 2.365 179.267 176.870 0.054 0.000 1.077 227 L CA 1.783 56.638 54.840 0.025 0.000 0.747 227 L CB -1.639 40.419 42.059 -0.002 0.000 0.896 227 L HN -0.077 nan 8.230 nan 0.000 0.432 228 Y N 0.334 120.613 120.300 -0.034 0.000 2.165 228 Y HA -0.295 4.250 4.550 -0.009 0.000 0.286 228 Y C 2.529 178.522 175.900 0.156 0.000 1.155 228 Y CA 2.239 60.351 58.100 0.020 0.000 1.164 228 Y CB -0.356 38.119 38.460 0.024 0.000 0.978 228 Y HN 0.398 nan 8.280 nan 0.000 0.513 229 Q N -0.500 119.330 119.800 0.049 0.000 2.170 229 Q HA -0.218 4.117 4.340 -0.009 0.000 0.203 229 Q C 2.107 178.156 176.000 0.083 0.000 0.976 229 Q CA 1.446 57.284 55.803 0.059 0.000 0.858 229 Q CB -0.175 28.602 28.738 0.066 0.000 0.907 229 Q HN 0.601 nan 8.270 nan 0.000 0.433 230 Q N 0.416 120.255 119.800 0.066 0.000 2.079 230 Q HA -0.084 4.251 4.340 -0.009 0.000 0.200 230 Q C 2.171 178.287 176.000 0.192 0.000 0.974 230 Q CA 1.011 56.878 55.803 0.106 0.000 0.840 230 Q CB -0.176 28.608 28.738 0.077 0.000 0.898 230 Q HN 0.461 nan 8.270 nan 0.000 0.430 231 I N 0.401 121.059 120.570 0.147 0.000 2.202 231 I HA -0.279 3.885 4.170 -0.009 0.000 0.242 231 I C 2.666 178.965 176.117 0.304 0.000 1.091 231 I CA 1.175 62.616 61.300 0.234 0.000 1.368 231 I CB -0.516 37.489 38.000 0.009 0.000 1.058 231 I HN 0.307 nan 8.210 nan 0.000 0.410 232 H N 1.379 120.443 119.070 -0.010 0.000 2.289 232 H HA -0.179 4.371 4.556 -0.009 0.000 0.296 232 H C 2.162 177.605 175.328 0.192 0.000 1.091 232 H CA 2.223 58.322 56.048 0.086 0.000 1.274 232 H CB -0.422 29.236 29.762 -0.174 0.000 1.364 232 H HN 0.339 nan 8.280 nan 0.000 0.490 233 G N -0.591 108.437 108.800 0.380 0.000 2.446 233 G HA2 -0.337 3.617 3.960 -0.009 0.000 0.217 233 G HA3 -0.337 3.617 3.960 -0.009 0.000 0.217 233 G C 1.829 176.896 174.900 0.279 0.000 1.168 233 G CA 0.929 46.219 45.100 0.317 0.000 0.771 233 G HN 0.569 nan 8.290 nan 0.000 0.551 234 Y N 0.763 121.193 120.300 0.216 0.000 2.200 234 Y HA -0.087 4.457 4.550 -0.009 0.000 0.290 234 Y C 2.922 179.009 175.900 0.312 0.000 1.137 234 Y CA 1.481 59.744 58.100 0.272 0.000 1.163 234 Y CB -0.101 38.523 38.460 0.274 0.000 0.988 234 Y HN 0.044 nan 8.280 nan 0.000 0.518 235 V N 0.919 121.041 119.914 0.347 0.000 2.287 235 V HA -0.343 3.772 4.120 -0.009 0.000 0.248 235 V C 2.483 178.541 176.094 -0.060 0.000 1.053 235 V CA 2.348 64.751 62.300 0.171 0.000 1.027 235 V CB -0.737 31.230 31.823 0.240 0.000 0.646 235 V HN 0.378 nan 8.190 nan 0.000 0.447 236 R N -0.486 119.957 120.500 -0.094 0.000 2.083 236 R HA -0.231 4.104 4.340 -0.009 0.000 0.237 236 R C 2.305 178.586 176.300 -0.031 0.000 1.137 236 R CA 2.233 58.262 56.100 -0.118 0.000 0.951 236 R CB -0.513 29.723 30.300 -0.106 0.000 0.851 236 R HN 0.479 nan 8.270 nan 0.000 0.434 237 F N 1.670 121.545 119.950 -0.125 0.000 2.091 237 F HA -0.229 4.292 4.527 -0.009 0.000 0.299 237 F C 2.083 177.764 175.800 -0.199 0.000 1.103 237 F CA 1.627 59.536 58.000 -0.152 0.000 1.228 237 F CB -0.179 38.712 39.000 -0.182 0.000 0.984 237 F HN -0.055 nan 8.300 nan 0.000 0.477 238 R N 0.676 120.848 120.500 -0.546 0.000 2.092 238 R HA -0.047 4.288 4.340 -0.009 0.000 0.231 238 R C 2.396 178.503 176.300 -0.323 0.000 1.119 238 R CA 1.360 57.109 56.100 -0.586 0.000 0.970 238 R CB -1.215 28.829 30.300 -0.426 0.000 0.864 238 R HN 0.417 nan 8.270 nan 0.000 0.440 239 L N 0.182 121.287 121.223 -0.196 0.000 2.141 239 L HA -0.099 4.235 4.340 -0.009 0.000 0.209 239 L C 2.579 179.440 176.870 -0.016 0.000 1.094 239 L CA 1.157 55.961 54.840 -0.060 0.000 0.763 239 L CB -0.298 41.721 42.059 -0.066 0.000 0.908 239 L HN 0.109 nan 8.230 nan 0.000 0.437 240 R N 0.189 120.622 120.500 -0.112 0.000 2.096 240 R HA -0.152 4.182 4.340 -0.009 0.000 0.235 240 R C 2.248 178.471 176.300 -0.129 0.000 1.127 240 R CA 1.216 57.259 56.100 -0.095 0.000 0.968 240 R CB -0.144 30.102 30.300 -0.090 0.000 0.861 240 R HN 0.341 nan 8.270 nan 0.000 0.440 241 K N -1.041 119.220 120.400 -0.233 0.000 2.148 241 K HA -0.170 4.144 4.320 -0.009 0.000 0.204 241 K C 1.888 178.388 176.600 -0.167 0.000 1.050 241 K CA 1.361 57.511 56.287 -0.230 0.000 0.942 241 K CB -0.142 32.148 32.500 -0.350 0.000 0.724 241 K HN 0.283 nan 8.250 nan 0.000 0.446 242 H N -0.807 118.113 119.070 -0.250 0.000 2.317 242 H HA -0.053 4.498 4.556 -0.009 0.000 0.304 242 H C 1.262 176.374 175.328 -0.361 0.000 1.067 242 H CA 1.657 57.505 56.048 -0.335 0.000 1.352 242 H CB 0.185 29.678 29.762 -0.448 0.000 1.398 242 H HN 0.125 nan 8.280 nan 0.000 0.510 243 Y N -0.250 120.033 120.300 -0.028 0.000 2.503 243 Y HA 0.266 4.811 4.550 -0.009 0.000 0.278 243 Y C 1.278 177.087 175.900 -0.152 0.000 1.111 243 Y CA 0.608 58.650 58.100 -0.096 0.000 1.270 243 Y CB 0.530 38.921 38.460 -0.116 0.000 1.063 243 Y HN 0.496 nan 8.280 nan 0.000 0.548 244 G N 0.409 109.205 108.800 -0.007 0.000 2.699 244 G HA2 -0.241 3.713 3.960 -0.009 0.000 0.686 244 G HA3 -0.241 3.713 3.960 -0.009 0.000 0.686 244 G C -0.406 174.463 174.900 -0.050 0.000 1.301 244 G CA -0.250 44.822 45.100 -0.046 0.000 0.816 244 G HN 0.185 nan 8.290 nan 0.000 0.595 245 D N 0.320 120.689 120.400 -0.053 0.000 2.348 245 D HA 0.261 4.896 4.640 -0.009 0.000 0.216 245 D C 2.521 178.783 176.300 -0.065 0.000 0.970 245 D CA 1.723 55.691 54.000 -0.053 0.000 0.889 245 D CB -0.032 40.743 40.800 -0.041 0.000 0.912 245 D HN 0.871 nan 8.370 nan 0.000 0.524 246 A N -0.110 122.667 122.820 -0.071 0.000 1.968 246 A HA -0.073 4.242 4.320 -0.009 0.000 0.217 246 A C 2.152 179.663 177.584 -0.123 0.000 1.169 246 A CA 0.904 52.893 52.037 -0.081 0.000 0.638 246 A CB -0.150 18.810 19.000 -0.067 0.000 0.812 246 A HN 0.176 nan 8.150 nan 0.000 0.446 247 V N -1.157 118.655 119.914 -0.168 0.000 2.575 247 V HA 0.059 4.173 4.120 -0.009 0.000 0.242 247 V C 0.417 176.393 176.094 -0.197 0.000 1.045 247 V CA 0.854 63.003 62.300 -0.252 0.000 1.065 247 V CB 0.237 31.809 31.823 -0.418 0.000 0.717 247 V HN 0.182 nan 8.190 nan 0.000 0.467 248 V N 1.430 121.259 119.914 -0.142 0.000 2.483 248 V HA 0.509 4.624 4.120 -0.009 0.000 0.297 248 V C -0.038 176.010 176.094 -0.077 0.000 1.027 248 V CA -0.500 61.727 62.300 -0.121 0.000 0.855 248 V CB 1.648 33.403 31.823 -0.114 0.000 0.995 248 V HN 0.430 nan 8.190 nan 0.000 0.424 249 S N 2.445 118.107 115.700 -0.063 0.000 2.632 249 S HA 0.335 4.800 4.470 -0.009 0.000 0.271 249 S C 0.889 175.483 174.600 -0.010 0.000 1.260 249 S CA -0.187 57.991 58.200 -0.037 0.000 1.010 249 S CB 1.718 64.898 63.200 -0.033 0.000 0.965 249 S HN 0.835 nan 8.310 nan 0.000 0.534 250 E N 0.680 120.872 120.200 -0.013 0.000 2.150 250 E HA -0.136 4.209 4.350 -0.009 0.000 0.193 250 E C 1.399 178.008 176.600 0.015 0.000 0.985 250 E CA 1.632 58.036 56.400 0.006 0.000 0.814 250 E CB -0.185 29.490 29.700 -0.042 0.000 0.752 250 E HN 0.933 nan 8.360 nan 0.000 0.466 251 T N -3.158 111.372 114.554 -0.039 0.000 3.001 251 T HA 0.302 4.646 4.350 -0.009 0.000 0.251 251 T C 0.732 175.531 174.700 0.165 0.000 1.040 251 T CA 0.008 62.090 62.100 -0.030 0.000 0.985 251 T CB 0.860 69.622 68.868 -0.177 0.000 1.011 251 T HN 0.109 nan 8.240 nan 0.000 0.509 252 G N 2.123 111.001 108.800 0.130 0.000 2.511 252 G HA2 0.614 4.569 3.960 -0.009 0.000 0.316 252 G HA3 0.614 4.569 3.960 -0.009 0.000 0.316 252 G C -2.967 172.043 174.900 0.183 0.000 1.210 252 G CA -1.947 43.242 45.100 0.149 0.000 0.969 252 G HN 0.066 nan 8.290 nan 0.000 0.492 253 P HA 0.102 nan 4.420 nan 0.000 0.267 253 P C -0.006 177.252 177.300 -0.070 0.000 1.200 253 P CA 0.011 63.089 63.100 -0.036 0.000 0.772 253 P CB 0.606 32.240 31.700 -0.110 0.000 0.855 254 I N 4.502 125.001 120.570 -0.117 0.000 2.533 254 I HA 0.072 4.237 4.170 -0.009 0.000 0.284 254 I C -1.892 174.095 176.117 -0.216 0.000 1.109 254 I CA -1.918 59.251 61.300 -0.218 0.000 1.412 254 I CB 0.175 37.946 38.000 -0.382 0.000 1.396 254 I HN 0.151 nan 8.210 nan 0.000 0.543 255 P HA -0.015 nan 4.420 nan 0.000 0.266 255 P C 0.746 177.934 177.300 -0.186 0.000 1.215 255 P CA 0.010 62.996 63.100 -0.190 0.000 0.763 255 P CB 0.532 32.165 31.700 -0.112 0.000 0.806 256 M N 3.753 123.255 119.600 -0.164 0.000 2.374 256 M HA -0.135 4.340 4.480 -0.009 0.000 0.264 256 M C 1.428 177.695 176.300 -0.056 0.000 1.067 256 M CA 1.493 56.731 55.300 -0.102 0.000 1.103 256 M CB -0.881 31.736 32.600 0.029 0.000 1.402 256 M HN 0.335 nan 8.290 nan 0.000 0.444 257 H N 1.321 120.223 119.070 -0.281 0.000 2.545 257 H HA 0.071 4.621 4.556 -0.009 0.000 0.282 257 H C 1.393 176.623 175.328 -0.164 0.000 1.020 257 H CA 0.769 56.719 56.048 -0.163 0.000 1.243 257 H CB -0.960 28.670 29.762 -0.220 0.000 1.377 257 H HN 0.536 nan 8.280 nan 0.000 0.581 258 L N 0.468 121.341 121.223 -0.584 0.000 2.592 258 L HA 0.165 4.499 4.340 -0.009 0.000 0.227 258 L C 1.556 178.234 176.870 -0.319 0.000 1.127 258 L CA 0.029 54.544 54.840 -0.541 0.000 0.884 258 L CB 0.114 41.745 42.059 -0.713 0.000 1.065 258 L HN 0.128 nan 8.230 nan 0.000 0.457 259 L N -0.050 120.999 121.223 -0.290 0.000 2.628 259 L HA 0.287 4.622 4.340 -0.009 0.000 0.229 259 L C 1.438 178.257 176.870 -0.085 0.000 1.137 259 L CA 0.347 54.989 54.840 -0.331 0.000 0.909 259 L CB 0.019 41.708 42.059 -0.617 0.000 1.137 259 L HN 0.414 nan 8.230 nan 0.000 0.470 260 G N 0.694 109.470 108.800 -0.040 0.000 2.159 260 G HA2 -0.300 3.654 3.960 -0.009 0.000 0.256 260 G HA3 -0.300 3.654 3.960 -0.009 0.000 0.256 260 G C 0.036 174.967 174.900 0.051 0.000 0.977 260 G CA 0.210 45.321 45.100 0.019 0.000 0.652 260 G HN 0.447 nan 8.290 nan 0.000 0.531 261 N N -0.869 117.869 118.700 0.063 0.000 2.324 261 N HA 0.376 5.110 4.740 -0.009 0.000 0.285 261 N C 1.069 176.568 175.510 -0.018 0.000 1.076 261 N CA -0.219 52.874 53.050 0.072 0.000 0.864 261 N CB 1.387 39.999 38.487 0.209 0.000 1.632 261 N HN -0.019 nan 8.380 nan 0.000 0.478 262 M N 2.658 122.046 119.600 -0.354 0.000 2.267 262 M HA 0.053 4.527 4.480 -0.009 0.000 0.263 262 M C 0.466 176.476 176.300 -0.483 0.000 1.063 262 M CA 1.734 56.601 55.300 -0.721 0.000 1.090 262 M CB -0.103 31.452 32.600 -1.741 0.000 1.392 262 M HN 0.622 nan 8.290 nan 0.000 0.422 263 W N -0.982 120.495 121.300 0.296 0.000 3.008 263 W HA 0.576 5.230 4.660 -0.010 0.000 0.355 263 W C 1.061 177.737 176.519 0.262 0.000 1.095 263 W CA 0.175 57.738 57.345 0.364 0.000 1.738 263 W CB -0.892 28.717 29.460 0.249 0.000 1.091 263 W HN 0.368 nan 8.180 nan 0.000 0.574 264 A N 2.019 125.061 122.820 0.369 0.000 2.799 264 A HA -0.357 3.957 4.320 -0.009 0.000 0.287 264 A C 1.705 179.507 177.584 0.364 0.000 1.484 264 A CA 2.061 54.342 52.037 0.407 0.000 0.813 264 A CB -2.028 17.218 19.000 0.411 0.000 1.009 264 A HN 0.609 nan 8.150 nan 0.000 0.545 265 Q N -1.476 118.314 119.800 -0.018 0.000 2.245 265 Q HA 0.091 4.426 4.340 -0.009 0.000 0.201 265 Q C 0.770 176.744 176.000 -0.042 0.000 0.955 265 Q CA 1.271 56.777 55.803 -0.495 0.000 0.870 265 Q CB 0.118 28.139 28.738 -1.194 0.000 0.945 265 Q HN 0.841 nan 8.270 nan 0.000 0.461 266 Q N -0.989 118.883 119.800 0.120 0.000 2.345 266 Q HA 0.204 4.538 4.340 -0.009 0.000 0.275 266 Q C -1.285 174.920 176.000 0.343 0.000 1.063 266 Q CA -0.704 55.163 55.803 0.106 0.000 0.819 266 Q CB 1.466 30.269 28.738 0.109 0.000 1.356 266 Q HN 0.310 nan 8.270 nan 0.000 0.418 267 W N 0.685 122.034 121.300 0.082 0.000 2.991 267 W HA 0.114 4.768 4.660 -0.009 0.000 0.391 267 W C 1.455 178.012 176.519 0.063 0.000 1.054 267 W CA -0.257 57.127 57.345 0.065 0.000 1.856 267 W CB -0.431 29.064 29.460 0.059 0.000 1.132 267 W HN 0.682 nan 8.180 nan 0.000 0.601 268 S N -0.144 115.705 115.700 0.249 0.000 2.442 268 S HA -0.184 4.281 4.470 -0.009 0.000 0.236 268 S C 1.365 176.061 174.600 0.160 0.000 1.007 268 S CA 1.168 59.481 58.200 0.188 0.000 0.965 268 S CB -0.139 63.157 63.200 0.159 0.000 0.773 268 S HN 0.110 nan 8.310 nan 0.000 0.504 269 E N 1.663 121.950 120.200 0.144 0.000 2.338 269 E HA -0.023 4.321 4.350 -0.009 0.000 0.197 269 E C 1.746 178.389 176.600 0.073 0.000 1.007 269 E CA 1.041 57.497 56.400 0.093 0.000 0.849 269 E CB -0.352 29.392 29.700 0.073 0.000 0.774 269 E HN 0.967 nan 8.360 nan 0.000 0.506 270 I N -3.610 117.016 120.570 0.092 0.000 3.941 270 I HA 0.363 4.527 4.170 -0.009 0.000 0.335 270 I C 1.799 177.969 176.117 0.088 0.000 1.402 270 I CA -0.027 61.301 61.300 0.047 0.000 1.112 270 I CB 0.373 38.371 38.000 -0.002 0.000 1.043 270 I HN -0.225 nan 8.210 nan 0.000 0.395 271 A N 2.557 125.462 122.820 0.143 0.000 1.978 271 A HA -0.260 4.055 4.320 -0.009 0.000 0.220 271 A C 2.082 179.750 177.584 0.140 0.000 1.170 271 A CA 2.147 54.300 52.037 0.195 0.000 0.636 271 A CB -0.743 18.382 19.000 0.208 0.000 0.810 271 A HN 0.749 nan 8.150 nan 0.000 0.448 272 D N 0.612 121.060 120.400 0.081 0.000 2.310 272 D HA -0.146 4.489 4.640 -0.009 0.000 0.212 272 D C 1.551 177.862 176.300 0.018 0.000 0.965 272 D CA 1.487 55.517 54.000 0.052 0.000 0.879 272 D CB -0.458 40.361 40.800 0.032 0.000 0.921 272 D HN 0.739 nan 8.370 nan 0.000 0.510 273 I N -1.766 118.792 120.570 -0.020 0.000 4.070 273 I HA 0.107 4.271 4.170 -0.009 0.000 0.328 273 I C 1.500 177.588 176.117 -0.049 0.000 1.298 273 I CA -0.204 61.047 61.300 -0.083 0.000 1.173 273 I CB 0.731 38.552 38.000 -0.299 0.000 1.051 273 I HN -0.060 nan 8.210 nan 0.000 0.409 274 V N -1.108 118.833 119.914 0.044 0.000 3.380 274 V HA 0.342 4.457 4.120 -0.009 0.000 0.307 274 V C 0.857 177.055 176.094 0.174 0.000 1.434 274 V CA 0.118 62.481 62.300 0.104 0.000 1.075 274 V CB -0.795 31.160 31.823 0.220 0.000 0.954 274 V HN 0.392 nan 8.190 nan 0.000 0.444 275 S N 0.799 116.578 115.700 0.132 0.000 2.549 275 S HA 0.381 4.846 4.470 -0.009 0.000 0.279 275 S C -1.192 173.383 174.600 -0.043 0.000 1.321 275 S CA -0.417 57.833 58.200 0.082 0.000 1.054 275 S CB 1.019 64.294 63.200 0.126 0.000 0.899 275 S HN 0.256 nan 8.310 nan 0.000 0.497 276 P HA -0.064 nan 4.420 nan 0.000 0.216 276 P C -0.228 176.701 177.300 -0.620 0.000 1.154 276 P CA 1.366 64.185 63.100 -0.469 0.000 0.865 276 P CB -0.036 31.096 31.700 -0.946 0.000 0.789 277 F N -2.793 117.141 119.950 -0.027 0.000 2.564 277 F HA 0.340 4.861 4.527 -0.009 0.000 0.368 277 F C -1.872 173.937 175.800 0.015 0.000 1.127 277 F CA -2.224 55.780 58.000 0.006 0.000 1.170 277 F CB 1.264 40.238 39.000 -0.042 0.000 1.397 277 F HN -0.096 nan 8.300 nan 0.000 0.493 278 P HA -0.118 nan 4.420 nan 0.000 0.222 278 P C 0.878 178.234 177.300 0.092 0.000 1.147 278 P CA 1.298 64.456 63.100 0.096 0.000 0.790 278 P CB 0.287 32.024 31.700 0.062 0.000 0.780 279 E N -1.115 119.151 120.200 0.110 0.000 2.478 279 E HA 0.028 4.373 4.350 -0.009 0.000 0.194 279 E C 0.477 177.108 176.600 0.052 0.000 1.045 279 E CA 0.422 56.866 56.400 0.074 0.000 0.868 279 E CB 0.150 29.893 29.700 0.072 0.000 0.885 279 E HN 0.232 nan 8.360 nan 0.000 0.505 280 K N 1.155 121.599 120.400 0.072 0.000 2.185 280 K HA 0.378 4.693 4.320 -0.009 0.000 0.240 280 K C -2.580 174.039 176.600 0.031 0.000 0.983 280 K CA -2.497 53.799 56.287 0.015 0.000 0.873 280 K CB 0.569 33.057 32.500 -0.020 0.000 1.118 280 K HN -0.207 nan 8.250 nan 0.000 0.441 281 P HA 0.070 nan 4.420 nan 0.000 0.265 281 P C -0.781 176.612 177.300 0.156 0.000 1.193 281 P CA -0.282 62.854 63.100 0.060 0.000 0.765 281 P CB 0.343 32.024 31.700 -0.031 0.000 0.823 282 L N 5.050 126.371 121.223 0.165 0.000 2.349 282 L HA 0.323 4.658 4.340 -0.009 0.000 0.278 282 L C -0.859 176.107 176.870 0.160 0.000 0.996 282 L CA -0.735 54.209 54.840 0.173 0.000 0.825 282 L CB 1.818 43.960 42.059 0.139 0.000 1.243 282 L HN 0.032 nan 8.230 nan 0.000 0.412 283 V N 4.547 124.556 119.914 0.159 0.000 2.446 283 V HA 0.258 4.372 4.120 -0.009 0.000 0.276 283 V C -0.266 175.870 176.094 0.070 0.000 1.030 283 V CA 0.114 62.467 62.300 0.089 0.000 1.033 283 V CB 0.540 32.383 31.823 0.032 0.000 0.993 283 V HN 0.755 nan 8.190 nan 0.000 0.477 284 D N 4.026 124.449 120.400 0.038 0.000 2.328 284 D HA 0.168 4.803 4.640 -0.009 0.000 0.243 284 D C 0.297 176.579 176.300 -0.029 0.000 1.324 284 D CA -0.366 53.640 54.000 0.010 0.000 0.966 284 D CB 1.858 42.673 40.800 0.026 0.000 1.324 284 D HN 0.344 nan 8.370 nan 0.000 0.549 285 V N 1.107 120.979 119.914 -0.070 0.000 3.649 285 V HA 0.127 4.242 4.120 -0.009 0.000 0.275 285 V C 1.693 177.697 176.094 -0.149 0.000 1.281 285 V CA 0.574 62.809 62.300 -0.109 0.000 1.143 285 V CB 0.035 31.779 31.823 -0.131 0.000 0.892 285 V HN 0.266 nan 8.190 nan 0.000 0.441 286 S N 1.916 117.541 115.700 -0.125 0.000 2.365 286 S HA -0.182 4.283 4.470 -0.009 0.000 0.225 286 S C 2.280 176.816 174.600 -0.108 0.000 1.039 286 S CA 2.060 60.187 58.200 -0.123 0.000 1.033 286 S CB -0.556 62.594 63.200 -0.083 0.000 0.887 286 S HN 0.954 nan 8.310 nan 0.000 0.447 287 A N 1.539 124.313 122.820 -0.076 0.000 1.902 287 A HA -0.115 4.200 4.320 -0.009 0.000 0.217 287 A C 2.085 179.625 177.584 -0.073 0.000 1.181 287 A CA 1.269 53.273 52.037 -0.056 0.000 0.623 287 A CB -0.430 18.551 19.000 -0.032 0.000 0.818 287 A HN 0.328 nan 8.150 nan 0.000 0.443 288 E N -0.421 119.720 120.200 -0.098 0.000 2.150 288 E HA -0.127 4.217 4.350 -0.009 0.000 0.193 288 E C 2.043 178.524 176.600 -0.198 0.000 0.985 288 E CA 1.016 57.348 56.400 -0.113 0.000 0.814 288 E CB -0.365 29.272 29.700 -0.105 0.000 0.752 288 E HN 0.730 nan 8.360 nan 0.000 0.466 289 M N 0.316 119.719 119.600 -0.327 0.000 2.086 289 M HA -0.167 4.308 4.480 -0.009 0.000 0.261 289 M C 2.111 178.296 176.300 -0.191 0.000 1.067 289 M CA 1.490 56.442 55.300 -0.580 0.000 1.116 289 M CB -0.253 31.994 32.600 -0.587 0.000 1.348 289 M HN 0.018 nan 8.290 nan 0.000 0.407 290 E N 0.204 120.349 120.200 -0.092 0.000 2.077 290 E HA -0.226 4.118 4.350 -0.009 0.000 0.193 290 E C 2.020 178.630 176.600 0.016 0.000 0.989 290 E CA 1.103 57.500 56.400 -0.006 0.000 0.800 290 E CB -0.192 29.502 29.700 -0.010 0.000 0.746 290 E HN 0.409 nan 8.360 nan 0.000 0.452 291 K N 0.974 121.370 120.400 -0.007 0.000 2.063 291 K HA -0.203 4.112 4.320 -0.009 0.000 0.208 291 K C 1.817 178.440 176.600 0.039 0.000 1.048 291 K CA 1.390 57.682 56.287 0.010 0.000 0.928 291 K CB 0.069 32.566 32.500 -0.005 0.000 0.713 291 K HN 0.084 nan 8.250 nan 0.000 0.442 292 Q N -0.927 118.910 119.800 0.062 0.000 2.403 292 Q HA 0.076 4.411 4.340 -0.009 0.000 0.203 292 Q C 0.378 176.493 176.000 0.191 0.000 0.932 292 Q CA 0.412 56.296 55.803 0.135 0.000 0.945 292 Q CB 0.685 29.540 28.738 0.194 0.000 1.045 292 Q HN 0.590 nan 8.270 nan 0.000 0.511 293 G N 0.782 109.682 108.800 0.166 0.000 2.198 293 G HA2 -0.317 3.637 3.960 -0.009 0.000 0.257 293 G HA3 -0.317 3.637 3.960 -0.009 0.000 0.257 293 G C -0.365 174.655 174.900 0.200 0.000 1.042 293 G CA -0.288 44.899 45.100 0.145 0.000 0.791 293 G HN 0.410 nan 8.290 nan 0.000 0.502 294 Y N 0.866 121.182 120.300 0.026 0.000 2.683 294 Y HA 0.315 4.861 4.550 -0.006 0.000 0.340 294 Y C 1.669 177.599 175.900 0.050 0.000 1.245 294 Y CA 0.946 59.069 58.100 0.039 0.000 1.485 294 Y CB 0.716 39.197 38.460 0.035 0.000 1.328 294 Y HN 0.436 nan 8.280 nan 0.000 0.603 295 T N -0.130 114.511 114.554 0.144 0.000 2.916 295 T HA 0.321 4.666 4.350 -0.009 0.000 0.292 295 T C -2.327 172.478 174.700 0.176 0.000 1.064 295 T CA -2.279 59.901 62.100 0.133 0.000 1.011 295 T CB 1.938 70.857 68.868 0.085 0.000 1.152 295 T HN 0.175 nan 8.240 nan 0.000 0.510 296 P HA -0.077 nan 4.420 nan 0.000 0.216 296 P C 1.732 179.277 177.300 0.409 0.000 1.153 296 P CA 0.430 63.718 63.100 0.314 0.000 0.858 296 P CB -0.040 31.825 31.700 0.274 0.000 0.789 297 L N 0.070 121.454 121.223 0.269 0.000 2.012 297 L HA -0.196 4.139 4.340 -0.009 0.000 0.210 297 L C 2.255 179.272 176.870 0.246 0.000 1.073 297 L CA 2.105 57.103 54.840 0.264 0.000 0.748 297 L CB -1.198 40.930 42.059 0.114 0.000 0.891 297 L HN -0.217 nan 8.230 nan 0.000 0.431 298 K N -0.587 119.882 120.400 0.115 0.000 2.057 298 K HA -0.159 4.156 4.320 -0.009 0.000 0.207 298 K C 1.969 178.605 176.600 0.060 0.000 1.049 298 K CA 2.043 58.330 56.287 0.000 0.000 0.931 298 K CB -0.331 32.051 32.500 -0.198 0.000 0.714 298 K HN 0.390 nan 8.250 nan 0.000 0.440 299 M N -0.969 118.718 119.600 0.144 0.000 2.117 299 M HA -0.086 4.388 4.480 -0.009 0.000 0.262 299 M C 1.842 178.207 176.300 0.108 0.000 1.065 299 M CA 1.662 57.050 55.300 0.146 0.000 1.114 299 M CB -0.364 32.322 32.600 0.144 0.000 1.361 299 M HN 0.039 nan 8.290 nan 0.000 0.408 300 F N 0.547 120.635 119.950 0.229 0.000 2.186 300 F HA -0.203 4.324 4.527 -0.001 0.000 0.299 300 F C 2.606 178.641 175.800 0.391 0.000 1.090 300 F CA 1.447 59.629 58.000 0.302 0.000 1.307 300 F CB -0.478 38.793 39.000 0.452 0.000 1.019 300 F HN 0.169 nan 8.300 nan 0.000 0.489 301 Q N -0.454 119.680 119.800 0.557 0.000 2.124 301 Q HA -0.225 4.110 4.340 -0.009 0.000 0.202 301 Q C 2.207 178.363 176.000 0.261 0.000 0.977 301 Q CA 1.617 57.648 55.803 0.379 0.000 0.850 301 Q CB -0.256 28.558 28.738 0.126 0.000 0.901 301 Q HN 0.474 nan 8.270 nan 0.000 0.429 302 M N -0.572 119.149 119.600 0.202 0.000 2.200 302 M HA -0.074 4.401 4.480 -0.009 0.000 0.265 302 M C 2.178 178.633 176.300 0.259 0.000 1.066 302 M CA 1.387 56.817 55.300 0.217 0.000 1.127 302 M CB -0.309 32.419 32.600 0.213 0.000 1.379 302 M HN 0.340 nan 8.290 nan 0.000 0.420 303 G N 0.095 108.933 108.800 0.063 0.000 2.421 303 G HA2 -0.276 3.679 3.960 -0.009 0.000 0.216 303 G HA3 -0.276 3.679 3.960 -0.009 0.000 0.216 303 G C 1.087 176.108 174.900 0.202 0.000 1.171 303 G CA 1.386 46.370 45.100 -0.192 0.000 0.775 303 G HN 0.389 nan 8.290 nan 0.000 0.543 304 D N 0.705 121.246 120.400 0.234 0.000 2.104 304 D HA -0.155 4.479 4.640 -0.009 0.000 0.194 304 D C 2.048 178.519 176.300 0.286 0.000 0.994 304 D CA 1.463 55.620 54.000 0.261 0.000 0.830 304 D CB -0.399 40.598 40.800 0.329 0.000 0.959 304 D HN 0.260 nan 8.370 nan 0.000 0.452 305 D N -1.111 119.458 120.400 0.282 0.000 2.123 305 D HA -0.208 4.427 4.640 -0.009 0.000 0.196 305 D C 2.048 178.525 176.300 0.296 0.000 0.992 305 D CA 0.894 55.054 54.000 0.266 0.000 0.833 305 D CB -0.665 40.300 40.800 0.275 0.000 0.954 305 D HN 0.336 nan 8.370 nan 0.000 0.455 306 F N -0.708 119.392 119.950 0.251 0.000 2.102 306 F HA -0.140 4.380 4.527 -0.011 0.000 0.298 306 F C 1.975 177.701 175.800 -0.124 0.000 1.105 306 F CA 1.240 59.329 58.000 0.148 0.000 1.239 306 F CB -0.214 38.862 39.000 0.127 0.000 0.991 306 F HN -0.067 nan 8.300 nan 0.000 0.474 307 F N 0.380 120.465 119.950 0.224 0.000 2.075 307 F HA -0.241 4.280 4.527 -0.009 0.000 0.297 307 F C 2.874 178.655 175.800 -0.032 0.000 1.113 307 F CA 1.963 59.984 58.000 0.035 0.000 1.218 307 F CB -1.372 37.591 39.000 -0.062 0.000 0.984 307 F HN 0.008 nan 8.300 nan 0.000 0.472 308 T N -2.642 112.010 114.554 0.164 0.000 2.833 308 T HA -0.192 4.152 4.350 -0.009 0.000 0.269 308 T C 2.108 176.772 174.700 -0.060 0.000 1.054 308 T CA 1.217 63.346 62.100 0.049 0.000 1.135 308 T CB -0.975 67.928 68.868 0.059 0.000 0.869 308 T HN 0.326 nan 8.240 nan 0.000 0.466 309 S N 1.488 117.084 115.700 -0.173 0.000 2.447 309 S HA 0.031 4.495 4.470 -0.009 0.000 0.233 309 S C 1.857 176.246 174.600 -0.350 0.000 1.006 309 S CA 0.679 58.630 58.200 -0.415 0.000 0.957 309 S CB -0.785 61.758 63.200 -1.095 0.000 0.773 309 S HN 0.578 nan 8.310 nan 0.000 0.507 310 M N 1.101 120.569 119.600 -0.219 0.000 2.494 310 M HA 0.290 4.764 4.480 -0.009 0.000 0.232 310 M C 0.569 176.832 176.300 -0.063 0.000 1.137 310 M CA 0.012 55.236 55.300 -0.128 0.000 1.012 310 M CB -0.332 32.227 32.600 -0.069 0.000 1.567 310 M HN 0.335 nan 8.290 nan 0.000 0.486 311 N N 0.915 119.575 118.700 -0.068 0.000 2.776 311 N HA -0.146 4.589 4.740 -0.009 0.000 0.250 311 N C -1.028 174.464 175.510 -0.031 0.000 1.112 311 N CA 0.594 53.613 53.050 -0.051 0.000 0.733 311 N CB -1.225 37.225 38.487 -0.060 0.000 1.097 311 N HN 0.377 nan 8.380 nan 0.000 0.558 312 L N -0.782 120.447 121.223 0.010 0.000 2.544 312 L HA 0.488 4.823 4.340 -0.009 0.000 0.256 312 L C 0.939 177.819 176.870 0.016 0.000 1.097 312 L CA -0.785 54.077 54.840 0.036 0.000 0.812 312 L CB 0.664 42.794 42.059 0.119 0.000 1.440 312 L HN -0.017 nan 8.230 nan 0.000 0.496 313 T N 0.793 115.337 114.554 -0.016 0.000 2.832 313 T HA 0.111 4.455 4.350 -0.009 0.000 0.296 313 T C -0.034 174.628 174.700 -0.062 0.000 0.968 313 T CA -0.373 61.701 62.100 -0.044 0.000 1.107 313 T CB 0.669 69.502 68.868 -0.057 0.000 0.916 313 T HN 0.371 nan 8.240 nan 0.000 0.517 314 K N 3.744 124.130 120.400 -0.023 0.000 2.382 314 K HA 0.182 4.497 4.320 -0.009 0.000 0.275 314 K C -0.258 176.314 176.600 -0.047 0.000 1.009 314 K CA -0.543 55.745 56.287 0.002 0.000 0.970 314 K CB 0.328 32.859 32.500 0.052 0.000 0.934 314 K HN 0.518 nan 8.250 nan 0.000 0.479 315 L N 6.293 127.470 121.223 -0.077 0.000 2.513 315 L HA 0.124 4.459 4.340 -0.009 0.000 0.272 315 L C -1.600 175.259 176.870 -0.018 0.000 1.187 315 L CA -1.622 53.079 54.840 -0.232 0.000 0.895 315 L CB 0.228 41.918 42.059 -0.615 0.000 1.147 315 L HN 0.691 nan 8.230 nan 0.000 0.483 316 P HA 0.023 nan 4.420 nan 0.000 0.274 316 P C -0.119 177.274 177.300 0.154 0.000 1.246 316 P CA -0.480 62.662 63.100 0.069 0.000 0.795 316 P CB 0.927 32.648 31.700 0.036 0.000 1.006 317 Q N 0.604 120.515 119.800 0.185 0.000 2.124 317 Q HA -0.172 4.163 4.340 -0.009 0.000 0.202 317 Q C 1.357 177.453 176.000 0.160 0.000 0.977 317 Q CA 1.918 57.866 55.803 0.243 0.000 0.850 317 Q CB -0.978 27.849 28.738 0.149 0.000 0.901 317 Q HN 0.352 nan 8.270 nan 0.000 0.429 318 D N -0.910 119.527 120.400 0.061 0.000 2.149 318 D HA -0.169 4.466 4.640 -0.009 0.000 0.198 318 D C 1.428 177.687 176.300 -0.068 0.000 0.990 318 D CA 0.836 54.818 54.000 -0.029 0.000 0.839 318 D CB -0.329 40.428 40.800 -0.072 0.000 0.948 318 D HN 0.308 nan 8.370 nan 0.000 0.460 319 F N -0.262 119.571 119.950 -0.195 0.000 2.069 319 F HA -0.193 4.330 4.527 -0.006 0.000 0.298 319 F C 1.916 177.526 175.800 -0.316 0.000 1.113 319 F CA 1.613 59.415 58.000 -0.330 0.000 1.214 319 F CB -0.503 38.190 39.000 -0.511 0.000 0.978 319 F HN 0.003 nan 8.300 nan 0.000 0.474 320 W N 0.708 122.050 121.300 0.070 0.000 2.388 320 W HA -0.140 4.512 4.660 -0.013 0.000 0.294 320 W C 2.225 178.664 176.519 -0.133 0.000 1.212 320 W CA 0.746 58.068 57.345 -0.039 0.000 1.271 320 W CB -0.537 28.968 29.460 0.073 0.000 1.126 320 W HN -0.043 nan 8.180 nan 0.000 0.535 321 D N 0.004 120.459 120.400 0.092 0.000 2.178 321 D HA -0.100 4.534 4.640 -0.009 0.000 0.202 321 D C 1.626 177.871 176.300 -0.091 0.000 0.974 321 D CA 1.374 55.375 54.000 0.002 0.000 0.841 321 D CB -0.215 40.578 40.800 -0.012 0.000 0.953 321 D HN 0.242 nan 8.370 nan 0.000 0.478 322 K N -0.359 119.923 120.400 -0.197 0.000 2.391 322 K HA 0.197 4.512 4.320 -0.009 0.000 0.197 322 K C 0.589 177.031 176.600 -0.263 0.000 1.087 322 K CA -0.097 56.029 56.287 -0.268 0.000 1.012 322 K CB 0.940 33.180 32.500 -0.433 0.000 0.925 322 K HN -0.148 nan 8.250 nan 0.000 0.547 323 S N 1.229 116.696 115.700 -0.388 0.000 2.579 323 S HA 0.226 4.691 4.470 -0.009 0.000 0.275 323 S C 0.163 174.679 174.600 -0.141 0.000 1.345 323 S CA -0.106 57.871 58.200 -0.372 0.000 1.031 323 S CB 0.565 63.178 63.200 -0.979 0.000 0.892 323 S HN 0.116 nan 8.310 nan 0.000 0.529 324 I N 3.093 123.656 120.570 -0.012 0.000 2.354 324 I HA 0.292 4.457 4.170 -0.009 0.000 0.286 324 I C 0.644 176.700 176.117 -0.102 0.000 1.007 324 I CA -0.126 61.145 61.300 -0.048 0.000 1.167 324 I CB 0.902 38.870 38.000 -0.053 0.000 1.320 324 I HN 0.656 nan 8.210 nan 0.000 0.458 325 I N 1.334 121.824 120.570 -0.132 0.000 4.081 325 I HA 0.482 4.647 4.170 -0.009 0.000 0.333 325 I C 0.031 176.170 176.117 0.036 0.000 1.413 325 I CA -0.012 61.213 61.300 -0.126 0.000 1.110 325 I CB 0.265 38.024 38.000 -0.401 0.000 1.082 325 I HN 0.433 nan 8.210 nan 0.000 0.402 326 E N 1.899 122.110 120.200 0.019 0.000 2.356 326 E HA 0.355 4.700 4.350 -0.009 0.000 0.275 326 E C -1.200 175.409 176.600 0.015 0.000 0.904 326 E CA -1.002 55.422 56.400 0.040 0.000 0.757 326 E CB 2.774 32.497 29.700 0.038 0.000 1.232 326 E HN 0.096 nan 8.360 nan 0.000 0.442 327 K N 2.783 123.195 120.400 0.021 0.000 2.447 327 K HA 0.140 4.455 4.320 -0.009 0.000 0.281 327 K C -2.288 174.310 176.600 -0.004 0.000 1.031 327 K CA -1.180 55.110 56.287 0.004 0.000 1.019 327 K CB 0.222 32.729 32.500 0.011 0.000 0.918 327 K HN 0.104 nan 8.250 nan 0.000 0.476 328 P HA -0.050 nan 4.420 nan 0.000 0.265 328 P C 0.072 177.366 177.300 -0.009 0.000 1.187 328 P CA 0.025 63.113 63.100 -0.020 0.000 0.766 328 P CB 0.770 32.448 31.700 -0.036 0.000 0.820 329 T N -2.612 111.939 114.554 -0.005 0.000 3.081 329 T HA 0.042 4.386 4.350 -0.009 0.000 0.250 329 T C 0.460 175.159 174.700 -0.000 0.000 1.100 329 T CA -0.223 61.877 62.100 0.001 0.000 1.038 329 T CB -0.562 68.308 68.868 0.004 0.000 0.962 329 T HN 0.383 nan 8.240 nan 0.000 0.516 330 D N 1.672 122.069 120.400 -0.005 0.000 2.356 330 D HA 0.341 4.975 4.640 -0.009 0.000 0.258 330 D C 1.578 177.877 176.300 -0.003 0.000 1.279 330 D CA -0.213 53.785 54.000 -0.004 0.000 1.016 330 D CB -0.302 40.494 40.800 -0.007 0.000 1.107 330 D HN 0.094 nan 8.370 nan 0.000 0.544 331 G N -1.772 107.027 108.800 -0.002 0.000 2.920 331 G HA2 -0.066 3.888 3.960 -0.009 0.000 0.208 331 G HA3 -0.066 3.888 3.960 -0.009 0.000 0.208 331 G C 0.604 175.502 174.900 -0.004 0.000 1.159 331 G CA -0.273 44.828 45.100 0.001 0.000 0.784 331 G HN 0.561 nan 8.290 nan 0.000 0.535 332 R N 0.640 121.133 120.500 -0.012 0.000 2.641 332 R HA 0.184 4.519 4.340 -0.009 0.000 0.269 332 R C -1.362 174.922 176.300 -0.027 0.000 1.074 332 R CA -0.340 55.748 56.100 -0.021 0.000 1.133 332 R CB 0.696 30.977 30.300 -0.032 0.000 1.029 332 R HN -0.113 nan 8.270 nan 0.000 0.488 333 D N 2.847 123.228 120.400 -0.032 0.000 2.255 333 D HA 0.387 5.022 4.640 -0.009 0.000 0.249 333 D C 0.135 176.386 176.300 -0.082 0.000 1.078 333 D CA -0.148 53.828 54.000 -0.040 0.000 0.896 333 D CB 1.486 42.269 40.800 -0.028 0.000 1.194 333 D HN 0.532 nan 8.370 nan 0.000 0.429 334 L N -2.296 118.881 121.223 -0.077 0.000 2.671 334 L HA 0.525 4.860 4.340 -0.009 0.000 0.259 334 L C -1.322 175.514 176.870 -0.057 0.000 1.021 334 L CA -1.119 53.649 54.840 -0.119 0.000 0.871 334 L CB 1.522 43.503 42.059 -0.130 0.000 1.472 334 L HN -0.016 nan 8.230 nan 0.000 0.410 335 V N 0.974 120.851 119.914 -0.062 0.000 2.405 335 V HA 0.089 4.203 4.120 -0.009 0.000 0.264 335 V C 0.796 176.900 176.094 0.017 0.000 1.048 335 V CA -0.021 62.304 62.300 0.042 0.000 0.966 335 V CB 0.670 32.553 31.823 0.099 0.000 1.015 335 V HN 0.987 nan 8.190 nan 0.000 0.477 336 c N 3.495 122.125 118.600 0.050 0.000 2.594 336 c HA 0.093 4.657 4.570 -0.009 0.000 0.265 336 c C 1.376 175.471 174.090 0.009 0.000 1.351 336 c CA -0.132 56.215 56.329 0.030 0.000 1.744 336 c CB -1.343 41.193 42.510 0.043 0.000 1.890 336 c HN 0.948 nan 8.230 nan 0.000 0.551 337 H N 1.144 120.125 119.070 -0.148 0.000 3.107 337 H HA 0.363 4.914 4.556 -0.009 0.000 0.301 337 H C 0.625 175.856 175.328 -0.161 0.000 0.981 337 H CA 0.462 56.323 56.048 -0.311 0.000 1.443 337 H CB 0.463 29.600 29.762 -1.041 0.000 1.479 337 H HN 0.448 nan 8.280 nan 0.000 0.564 338 A N 4.579 127.181 122.820 -0.364 0.000 2.540 338 A HA 0.387 4.701 4.320 -0.009 0.000 0.239 338 A C -0.094 177.566 177.584 0.126 0.000 1.061 338 A CA 0.529 52.539 52.037 -0.046 0.000 0.758 338 A CB -0.150 18.838 19.000 -0.021 0.000 0.991 338 A HN 0.870 nan 8.150 nan 0.000 0.502 339 S N 0.423 116.298 115.700 0.291 0.000 2.550 339 S HA 0.808 5.273 4.470 -0.009 0.000 0.270 339 S C -0.633 174.262 174.600 0.493 0.000 1.145 339 S CA -0.187 58.222 58.200 0.347 0.000 0.852 339 S CB 1.534 64.939 63.200 0.343 0.000 1.119 339 S HN 2.087 nan 8.310 nan 0.000 0.465 340 A N 0.850 123.881 122.820 0.353 0.000 2.350 340 A HA 0.817 5.132 4.320 -0.009 0.000 0.324 340 A C -1.778 176.052 177.584 0.409 0.000 1.118 340 A CA -0.740 51.606 52.037 0.514 0.000 0.783 340 A CB 0.582 19.837 19.000 0.426 0.000 1.236 340 A HN 0.762 nan 8.150 nan 0.000 0.457 341 W N 0.782 122.299 121.300 0.361 0.000 2.739 341 W HA 0.504 5.162 4.660 -0.003 0.000 0.331 341 W C -0.828 175.459 176.519 -0.386 0.000 1.049 341 W CA -0.231 57.097 57.345 -0.029 0.000 1.234 341 W CB 1.907 31.383 29.460 0.026 0.000 1.404 341 W HN 0.656 nan 8.180 nan 0.000 0.477 342 D N 1.822 121.692 120.400 -0.883 0.000 2.256 342 D HA 0.313 4.947 4.640 -0.009 0.000 0.240 342 D C -0.273 175.469 176.300 -0.930 0.000 1.062 342 D CA -0.525 52.773 54.000 -1.170 0.000 0.832 342 D CB 0.969 40.547 40.800 -2.036 0.000 1.135 342 D HN 0.227 nan 8.370 nan 0.000 0.484 343 F N 2.271 121.983 119.950 -0.397 0.000 2.695 343 F HA 0.165 4.690 4.527 -0.003 0.000 0.303 343 F C 0.411 176.222 175.800 0.019 0.000 1.091 343 F CA -0.342 57.580 58.000 -0.130 0.000 1.300 343 F CB -0.171 38.770 39.000 -0.098 0.000 1.071 343 F HN 0.433 nan 8.300 nan 0.000 0.578 344 Y N -1.197 119.161 120.300 0.097 0.000 4.272 344 Y HA -0.286 4.259 4.550 -0.008 0.000 0.232 344 Y C 0.667 176.635 175.900 0.114 0.000 1.149 344 Y CA -0.271 57.901 58.100 0.119 0.000 1.961 344 Y CB -2.129 36.436 38.460 0.174 0.000 1.611 344 Y HN 0.044 nan 8.280 nan 0.000 0.682 345 L N -1.540 119.794 121.223 0.185 0.000 2.694 345 L HA 0.563 4.898 4.340 -0.009 0.000 0.198 345 L C 0.740 177.676 176.870 0.109 0.000 1.903 345 L CA -0.552 54.365 54.840 0.129 0.000 2.945 345 L CB 0.367 42.478 42.059 0.087 0.000 2.882 345 L HN -0.108 nan 8.230 nan 0.000 0.702 346 T N -0.021 114.578 114.554 0.076 0.000 2.786 346 T HA 0.269 4.613 4.350 -0.009 0.000 0.283 346 T C -0.800 173.930 174.700 0.050 0.000 0.992 346 T CA -0.344 61.799 62.100 0.071 0.000 0.954 346 T CB 1.270 70.176 68.868 0.064 0.000 0.934 346 T HN 0.524 nan 8.240 nan 0.000 0.440 347 D N 0.864 121.296 120.400 0.054 0.000 3.046 347 D HA -0.131 4.504 4.640 -0.009 0.000 0.210 347 D C -0.081 176.235 176.300 0.025 0.000 1.124 347 D CA 1.111 55.135 54.000 0.039 0.000 0.986 347 D CB -0.575 40.244 40.800 0.032 0.000 1.118 347 D HN 0.595 nan 8.370 nan 0.000 0.416 348 D N 0.771 121.183 120.400 0.021 0.000 2.468 348 D HA 0.317 4.952 4.640 -0.009 0.000 0.218 348 D C -0.260 176.094 176.300 0.089 0.000 1.155 348 D CA -0.300 53.685 54.000 -0.026 0.000 0.924 348 D CB 0.248 40.990 40.800 -0.097 0.000 1.029 348 D HN 0.105 nan 8.370 nan 0.000 0.515 349 V N 1.104 121.083 119.914 0.108 0.000 2.876 349 V HA 0.783 4.897 4.120 -0.009 0.000 0.312 349 V C -0.389 175.863 176.094 0.263 0.000 1.085 349 V CA -0.996 61.455 62.300 0.251 0.000 0.945 349 V CB 2.158 34.150 31.823 0.282 0.000 1.017 349 V HN 0.279 nan 8.190 nan 0.000 0.428 350 R N 2.814 123.517 120.500 0.339 0.000 2.739 350 R HA 0.768 5.102 4.340 -0.009 0.000 0.271 350 R C -1.601 174.935 176.300 0.393 0.000 1.010 350 R CA -0.759 55.403 56.100 0.103 0.000 0.897 350 R CB 2.782 32.857 30.300 -0.376 0.000 1.236 350 R HN 0.760 nan 8.270 nan 0.000 0.466 351 I N 1.097 121.795 120.570 0.214 0.000 2.569 351 I HA 0.362 4.527 4.170 -0.009 0.000 0.296 351 I C -0.646 175.674 176.117 0.338 0.000 1.028 351 I CA -0.750 60.803 61.300 0.422 0.000 1.082 351 I CB 2.234 40.530 38.000 0.493 0.000 1.264 351 I HN 0.355 nan 8.210 nan 0.000 0.429 352 K N 6.058 126.699 120.400 0.401 0.000 2.425 352 K HA 0.450 4.765 4.320 -0.009 0.000 0.259 352 K C -1.184 175.522 176.600 0.178 0.000 0.978 352 K CA -0.463 55.922 56.287 0.163 0.000 0.883 352 K CB 1.149 33.595 32.500 -0.089 0.000 1.110 352 K HN 0.590 nan 8.250 nan 0.000 0.436 353 Q N 3.997 123.884 119.800 0.145 0.000 2.289 353 Q HA 0.290 4.625 4.340 -0.009 0.000 0.270 353 Q C -1.316 174.757 176.000 0.120 0.000 1.038 353 Q CA -0.825 55.083 55.803 0.175 0.000 0.812 353 Q CB 1.659 30.603 28.738 0.343 0.000 1.300 353 Q HN 0.780 nan 8.270 nan 0.000 0.427 354 c N 3.784 122.433 118.600 0.081 0.000 3.057 354 c HA 0.224 4.788 4.570 -0.009 0.000 0.563 354 c C 0.473 174.616 174.090 0.088 0.000 1.129 354 c CA -0.301 56.066 56.329 0.063 0.000 1.284 354 c CB -1.891 40.640 42.510 0.035 0.000 1.532 354 c HN 0.638 nan 8.230 nan 0.000 0.631 355 T N 2.557 117.196 114.554 0.141 0.000 2.946 355 T HA 0.138 4.483 4.350 -0.009 0.000 0.311 355 T C 0.475 175.244 174.700 0.115 0.000 1.063 355 T CA 0.634 62.835 62.100 0.169 0.000 1.139 355 T CB 0.460 69.504 68.868 0.293 0.000 0.994 355 T HN 0.618 nan 8.240 nan 0.000 0.547 356 R N 0.949 121.503 120.500 0.090 0.000 2.837 356 R HA 0.506 4.840 4.340 -0.009 0.000 0.271 356 R C -0.992 175.344 176.300 0.060 0.000 0.993 356 R CA -0.909 55.229 56.100 0.064 0.000 0.931 356 R CB 1.779 32.101 30.300 0.036 0.000 1.206 356 R HN 0.348 nan 8.270 nan 0.000 0.474 357 V N 2.509 122.455 119.914 0.054 0.000 2.153 357 V HA 0.152 4.267 4.120 -0.009 0.000 0.250 357 V C 0.145 176.231 176.094 -0.014 0.000 1.334 357 V CA -0.004 62.325 62.300 0.049 0.000 1.249 357 V CB -0.426 31.442 31.823 0.076 0.000 1.371 357 V HN 0.902 nan 8.190 nan 0.000 0.498 358 T N -0.604 113.923 114.554 -0.044 0.000 2.883 358 T HA 0.359 4.703 4.350 -0.009 0.000 0.296 358 T C 0.642 175.233 174.700 -0.182 0.000 1.117 358 T CA -0.488 61.554 62.100 -0.096 0.000 1.006 358 T CB 2.169 70.994 68.868 -0.071 0.000 1.191 358 T HN 0.265 nan 8.240 nan 0.000 0.508 359 Q N 0.265 119.919 119.800 -0.243 0.000 2.061 359 Q HA -0.203 4.131 4.340 -0.009 0.000 0.204 359 Q C 1.577 177.149 176.000 -0.714 0.000 0.984 359 Q CA 2.535 58.066 55.803 -0.453 0.000 0.846 359 Q CB -0.422 28.106 28.738 -0.350 0.000 0.902 359 Q HN 0.857 nan 8.270 nan 0.000 0.421 360 D N -0.606 119.563 120.400 -0.385 0.000 2.123 360 D HA -0.191 4.444 4.640 -0.009 0.000 0.196 360 D C 1.969 178.173 176.300 -0.159 0.000 0.992 360 D CA 1.178 55.045 54.000 -0.222 0.000 0.833 360 D CB 0.060 40.844 40.800 -0.026 0.000 0.954 360 D HN 0.257 nan 8.370 nan 0.000 0.455 361 Q N -0.438 119.283 119.800 -0.131 0.000 2.167 361 Q HA -0.098 4.237 4.340 -0.009 0.000 0.202 361 Q C 2.209 178.172 176.000 -0.062 0.000 0.970 361 Q CA 0.428 56.198 55.803 -0.055 0.000 0.855 361 Q CB -0.283 28.445 28.738 -0.017 0.000 0.911 361 Q HN 0.356 nan 8.270 nan 0.000 0.438 362 L N 0.029 121.159 121.223 -0.154 0.000 2.083 362 L HA -0.133 4.201 4.340 -0.009 0.000 0.209 362 L C 1.836 178.759 176.870 0.089 0.000 1.083 362 L CA 1.487 56.287 54.840 -0.067 0.000 0.752 362 L CB -0.487 41.483 42.059 -0.149 0.000 0.899 362 L HN 0.014 nan 8.230 nan 0.000 0.433 363 F N -0.669 119.281 119.950 -0.001 0.000 2.146 363 F HA -0.111 4.411 4.527 -0.009 0.000 0.298 363 F C 2.526 178.338 175.800 0.019 0.000 1.096 363 F CA 1.390 59.361 58.000 -0.048 0.000 1.275 363 F CB -1.895 37.044 39.000 -0.102 0.000 1.008 363 F HN 0.013 nan 8.300 nan 0.000 0.480 364 T N 0.097 114.759 114.554 0.180 0.000 2.759 364 T HA -0.132 4.212 4.350 -0.009 0.000 0.269 364 T C 2.360 177.135 174.700 0.125 0.000 1.042 364 T CA 1.336 63.511 62.100 0.125 0.000 1.140 364 T CB -0.651 68.251 68.868 0.056 0.000 0.864 364 T HN 0.046 nan 8.240 nan 0.000 0.455 365 V N 1.008 120.930 119.914 0.014 0.000 2.332 365 V HA -0.226 3.889 4.120 -0.009 0.000 0.248 365 V C 2.261 178.278 176.094 -0.128 0.000 1.055 365 V CA 1.887 64.045 62.300 -0.237 0.000 1.038 365 V CB -0.656 30.834 31.823 -0.554 0.000 0.651 365 V HN 0.553 nan 8.190 nan 0.000 0.450 366 H N -1.404 117.640 119.070 -0.043 0.000 2.389 366 H HA -0.125 4.427 4.556 -0.007 0.000 0.299 366 H C 2.225 177.553 175.328 0.001 0.000 1.081 366 H CA 1.797 57.828 56.048 -0.029 0.000 1.345 366 H CB -0.307 29.372 29.762 -0.139 0.000 1.393 366 H HN 0.654 nan 8.280 nan 0.000 0.520 367 H N 0.807 119.912 119.070 0.057 0.000 2.290 367 H HA -0.116 4.434 4.556 -0.010 0.000 0.298 367 H C 1.861 177.178 175.328 -0.019 0.000 1.087 367 H CA 1.873 57.912 56.048 -0.014 0.000 1.291 367 H CB 0.283 30.057 29.762 0.020 0.000 1.369 367 H HN 0.204 nan 8.280 nan 0.000 0.492 368 E N 0.489 120.805 120.200 0.193 0.000 2.106 368 E HA -0.120 4.224 4.350 -0.009 0.000 0.192 368 E C 2.546 179.213 176.600 0.111 0.000 0.984 368 E CA 0.829 57.387 56.400 0.263 0.000 0.806 368 E CB -0.247 29.687 29.700 0.390 0.000 0.750 368 E HN 0.562 nan 8.360 nan 0.000 0.458 369 L N 0.251 121.492 121.223 0.031 0.000 2.275 369 L HA -0.053 4.282 4.340 -0.009 0.000 0.215 369 L C 2.378 179.043 176.870 -0.343 0.000 1.119 369 L CA 0.916 55.673 54.840 -0.139 0.000 0.790 369 L CB -0.560 41.446 42.059 -0.089 0.000 0.919 369 L HN 0.167 nan 8.230 nan 0.000 0.443 370 G N -1.110 107.596 108.800 -0.157 0.000 2.418 370 G HA2 -0.243 3.712 3.960 -0.009 0.000 0.217 370 G HA3 -0.243 3.712 3.960 -0.009 0.000 0.217 370 G C 1.361 176.045 174.900 -0.361 0.000 1.158 370 G CA 0.395 45.370 45.100 -0.208 0.000 0.771 370 G HN 0.344 nan 8.290 nan 0.000 0.545 371 H N 0.583 119.485 119.070 -0.279 0.000 2.321 371 H HA -0.032 4.518 4.556 -0.010 0.000 0.300 371 H C 2.785 177.574 175.328 -0.898 0.000 1.087 371 H CA 1.093 56.897 56.048 -0.407 0.000 1.319 371 H CB -0.238 29.332 29.762 -0.320 0.000 1.379 371 H HN 0.186 nan 8.280 nan 0.000 0.501 372 I N 0.982 121.280 120.570 -0.453 0.000 2.208 372 I HA -0.259 3.905 4.170 -0.009 0.000 0.245 372 I C 2.591 178.470 176.117 -0.396 0.000 1.097 372 I CA 1.234 62.336 61.300 -0.330 0.000 1.363 372 I CB -0.975 36.899 38.000 -0.210 0.000 1.051 372 I HN 0.221 nan 8.210 nan 0.000 0.413 373 Q N 0.437 119.903 119.800 -0.557 0.000 2.084 373 Q HA -0.234 4.101 4.340 -0.009 0.000 0.202 373 Q C 2.310 178.113 176.000 -0.328 0.000 0.978 373 Q CA 1.750 57.235 55.803 -0.530 0.000 0.844 373 Q CB -0.660 27.594 28.738 -0.808 0.000 0.898 373 Q HN 0.567 nan 8.270 nan 0.000 0.426 374 Y N -0.952 119.036 120.300 -0.520 0.000 2.128 374 Y HA -0.294 4.250 4.550 -0.010 0.000 0.284 374 Y C 1.557 176.927 175.900 -0.884 0.000 1.154 374 Y CA 0.830 58.569 58.100 -0.601 0.000 1.149 374 Y CB -0.020 37.987 38.460 -0.754 0.000 0.976 374 Y HN 0.166 nan 8.280 nan 0.000 0.505 375 F N -0.008 119.658 119.950 -0.474 0.000 2.095 375 F HA -0.297 4.223 4.527 -0.011 0.000 0.298 375 F C 2.175 177.742 175.800 -0.388 0.000 1.104 375 F CA 1.236 58.898 58.000 -0.563 0.000 1.232 375 F CB -1.357 37.535 39.000 -0.181 0.000 0.987 375 F HN 0.033 nan 8.300 nan 0.000 0.475 376 L N -0.733 120.468 121.223 -0.037 0.000 2.093 376 L HA -0.192 4.142 4.340 -0.009 0.000 0.208 376 L C 2.584 179.478 176.870 0.041 0.000 1.085 376 L CA 0.999 55.839 54.840 0.000 0.000 0.755 376 L CB -0.712 41.316 42.059 -0.051 0.000 0.904 376 L HN 0.128 nan 8.230 nan 0.000 0.435 377 Q N -0.149 119.647 119.800 -0.006 0.000 2.167 377 Q HA -0.177 4.158 4.340 -0.009 0.000 0.202 377 Q C 1.642 177.832 176.000 0.318 0.000 0.970 377 Q CA 1.450 57.331 55.803 0.131 0.000 0.855 377 Q CB -0.064 28.731 28.738 0.096 0.000 0.911 377 Q HN 0.737 nan 8.270 nan 0.000 0.438 378 Y N -0.564 119.907 120.300 0.285 0.000 2.507 378 Y HA 0.269 4.814 4.550 -0.008 0.000 0.254 378 Y C 1.561 177.516 175.900 0.091 0.000 1.171 378 Y CA -0.331 57.871 58.100 0.170 0.000 1.238 378 Y CB -0.872 37.655 38.460 0.111 0.000 1.148 378 Y HN 0.074 nan 8.280 nan 0.000 0.525 379 Q N 0.784 120.834 119.800 0.417 0.000 2.439 379 Q HA -0.192 4.142 4.340 -0.009 0.000 0.211 379 Q C 1.278 177.438 176.000 0.266 0.000 0.978 379 Q CA 1.734 57.735 55.803 0.329 0.000 0.897 379 Q CB -0.853 28.021 28.738 0.227 0.000 0.956 379 Q HN 0.740 nan 8.270 nan 0.000 0.483 380 H N -0.758 118.428 119.070 0.193 0.000 2.535 380 H HA 0.175 4.725 4.556 -0.010 0.000 0.273 380 H C 0.169 175.583 175.328 0.144 0.000 0.983 380 H CA -0.097 56.039 56.048 0.146 0.000 1.238 380 H CB 0.009 29.847 29.762 0.126 0.000 1.412 380 H HN 0.155 nan 8.280 nan 0.000 0.562 381 Q N 2.700 122.274 119.800 -0.377 0.000 2.421 381 Q HA 0.189 4.524 4.340 -0.009 0.000 0.255 381 Q C -2.043 173.933 176.000 -0.040 0.000 1.013 381 Q CA -1.716 53.962 55.803 -0.208 0.000 0.895 381 Q CB 0.596 29.235 28.738 -0.164 0.000 1.271 381 Q HN 0.331 nan 8.270 nan 0.000 0.460 382 P HA -0.093 nan 4.420 nan 0.000 0.267 382 P C 0.509 177.748 177.300 -0.101 0.000 1.200 382 P CA 0.063 63.110 63.100 -0.088 0.000 0.772 382 P CB 0.311 31.876 31.700 -0.225 0.000 0.855 383 F N 3.888 123.728 119.950 -0.183 0.000 2.085 383 F HA -0.295 4.226 4.527 -0.010 0.000 0.299 383 F C 1.854 177.515 175.800 -0.231 0.000 1.096 383 F CA 2.567 60.458 58.000 -0.182 0.000 1.227 383 F CB -0.889 37.977 39.000 -0.223 0.000 0.983 383 F HN 0.126 nan 8.300 nan 0.000 0.482 384 V N -2.269 117.427 119.914 -0.363 0.000 2.720 384 V HA -0.245 3.869 4.120 -0.009 0.000 0.256 384 V C 1.680 177.563 176.094 -0.351 0.000 1.082 384 V CA 1.494 63.520 62.300 -0.458 0.000 1.101 384 V CB -1.568 30.025 31.823 -0.384 0.000 0.693 384 V HN 0.415 nan 8.190 nan 0.000 0.479 385 Y N 0.742 120.834 120.300 -0.347 0.000 2.466 385 Y HA 0.414 4.958 4.550 -0.009 0.000 0.272 385 Y C 1.707 177.274 175.900 -0.554 0.000 1.169 385 Y CA -0.835 57.050 58.100 -0.358 0.000 1.285 385 Y CB -0.378 37.931 38.460 -0.252 0.000 1.078 385 Y HN 0.273 nan 8.280 nan 0.000 0.523 386 R N 0.557 120.775 120.500 -0.470 0.000 4.556 386 R HA 0.233 4.568 4.340 -0.009 0.000 0.197 386 R C 0.097 175.868 176.300 -0.881 0.000 1.791 386 R CA 0.168 55.814 56.100 -0.756 0.000 1.526 386 R CB -0.111 30.104 30.300 -0.141 0.000 1.410 386 R HN -0.002 nan 8.270 nan 0.000 0.826 387 T N -1.534 112.370 114.554 -1.083 0.000 2.711 387 T HA 0.412 4.757 4.350 -0.009 0.000 0.302 387 T C -0.333 174.107 174.700 -0.434 0.000 1.373 387 T CA -0.436 61.373 62.100 -0.485 0.000 1.000 387 T CB 1.288 69.996 68.868 -0.266 0.000 1.483 387 T HN 0.420 nan 8.240 nan 0.000 0.499 388 G N 0.435 109.167 108.800 -0.113 0.000 2.594 388 G HA2 0.475 4.430 3.960 -0.009 0.000 0.243 388 G HA3 0.475 4.430 3.960 -0.009 0.000 0.243 388 G C 1.339 176.152 174.900 -0.145 0.000 1.229 388 G CA 0.202 45.172 45.100 -0.218 0.000 0.843 388 G HN 1.048 nan 8.290 nan 0.000 0.578 389 A N 1.655 124.412 122.820 -0.106 0.000 1.917 389 A HA -0.013 4.302 4.320 -0.009 0.000 0.219 389 A C 1.299 178.718 177.584 -0.274 0.000 1.182 389 A CA 2.100 53.958 52.037 -0.299 0.000 0.633 389 A CB -0.575 18.001 19.000 -0.706 0.000 0.819 389 A HN 1.074 nan 8.150 nan 0.000 0.448 390 N N -4.221 114.325 118.700 -0.255 0.000 2.732 390 N HA 0.442 5.177 4.740 -0.009 0.000 0.259 390 N C -2.922 172.576 175.510 -0.019 0.000 1.402 390 N CA -1.816 51.125 53.050 -0.181 0.000 0.829 390 N CB 0.611 38.942 38.487 -0.261 0.000 1.495 390 N HN -0.263 nan 8.380 nan 0.000 0.511 391 P HA -0.014 nan 4.420 nan 0.000 0.217 391 P C 1.259 178.636 177.300 0.128 0.000 1.148 391 P CA 2.014 65.082 63.100 -0.054 0.000 0.828 391 P CB -0.090 31.479 31.700 -0.218 0.000 0.783 392 G N -1.664 107.284 108.800 0.247 0.000 2.408 392 G HA2 -0.235 3.720 3.960 -0.009 0.000 0.217 392 G HA3 -0.235 3.720 3.960 -0.009 0.000 0.217 392 G C 1.318 176.392 174.900 0.290 0.000 1.150 392 G CA 0.216 45.456 45.100 0.233 0.000 0.776 392 G HN 0.205 nan 8.290 nan 0.000 0.542 393 F N -0.021 120.040 119.950 0.184 0.000 2.126 393 F HA -0.090 4.431 4.527 -0.010 0.000 0.299 393 F C 2.723 178.734 175.800 0.350 0.000 1.096 393 F CA 1.333 59.514 58.000 0.302 0.000 1.255 393 F CB -0.121 39.090 39.000 0.352 0.000 0.997 393 F HN 0.129 nan 8.300 nan 0.000 0.479 394 H N 0.450 119.823 119.070 0.506 0.000 2.387 394 H HA -0.113 4.438 4.556 -0.010 0.000 0.299 394 H C 1.994 177.438 175.328 0.195 0.000 1.090 394 H CA 1.543 57.852 56.048 0.434 0.000 1.332 394 H CB 0.021 29.942 29.762 0.265 0.000 1.386 394 H HN 0.229 nan 8.280 nan 0.000 0.516 395 E N 0.003 120.384 120.200 0.302 0.000 2.285 395 E HA -0.007 4.338 4.350 -0.009 0.000 0.194 395 E C 2.179 178.820 176.600 0.068 0.000 0.997 395 E CA 0.630 57.139 56.400 0.181 0.000 0.845 395 E CB -0.069 29.732 29.700 0.168 0.000 0.782 395 E HN 0.436 nan 8.360 nan 0.000 0.491 396 A N 0.933 123.794 122.820 0.069 0.000 1.970 396 A HA -0.037 4.277 4.320 -0.009 0.000 0.216 396 A C 2.524 180.082 177.584 -0.044 0.000 1.170 396 A CA 0.628 52.677 52.037 0.019 0.000 0.645 396 A CB -0.421 18.630 19.000 0.087 0.000 0.816 396 A HN 0.095 nan 8.150 nan 0.000 0.447 397 V N 0.266 120.130 119.914 -0.084 0.000 2.220 397 V HA -0.277 3.837 4.120 -0.009 0.000 0.250 397 V C 2.824 178.815 176.094 -0.171 0.000 1.056 397 V CA 2.304 64.540 62.300 -0.108 0.000 1.016 397 V CB -1.563 30.136 31.823 -0.207 0.000 0.639 397 V HN 0.569 nan 8.190 nan 0.000 0.446 398 G N -0.851 107.801 108.800 -0.246 0.000 2.422 398 G HA2 -0.227 3.727 3.960 -0.009 0.000 0.218 398 G HA3 -0.227 3.727 3.960 -0.009 0.000 0.218 398 G C 1.164 175.938 174.900 -0.210 0.000 1.140 398 G CA 0.969 45.951 45.100 -0.197 0.000 0.775 398 G HN 0.532 nan 8.290 nan 0.000 0.545 399 D N 0.094 120.374 120.400 -0.198 0.000 2.178 399 D HA -0.059 4.576 4.640 -0.009 0.000 0.202 399 D C 2.702 178.749 176.300 -0.422 0.000 0.974 399 D CA 0.317 54.136 54.000 -0.300 0.000 0.841 399 D CB -0.132 40.469 40.800 -0.331 0.000 0.953 399 D HN 0.199 nan 8.370 nan 0.000 0.478 400 V N 0.861 120.603 119.914 -0.287 0.000 2.343 400 V HA -0.218 3.897 4.120 -0.009 0.000 0.247 400 V C 2.472 178.422 176.094 -0.240 0.000 1.051 400 V CA 1.182 63.372 62.300 -0.183 0.000 1.036 400 V CB -0.411 31.503 31.823 0.153 0.000 0.654 400 V HN 0.275 nan 8.190 nan 0.000 0.451 401 L N -0.560 120.420 121.223 -0.404 0.000 2.072 401 L HA -0.092 4.243 4.340 -0.009 0.000 0.205 401 L C 2.626 179.056 176.870 -0.734 0.000 1.079 401 L CA 1.510 55.932 54.840 -0.697 0.000 0.752 401 L CB -0.914 40.525 42.059 -1.033 0.000 0.906 401 L HN 0.302 nan 8.230 nan 0.000 0.436 402 S N 0.465 115.806 115.700 -0.599 0.000 2.383 402 S HA -0.150 4.315 4.470 -0.009 0.000 0.229 402 S C 2.049 176.207 174.600 -0.737 0.000 1.030 402 S CA 1.197 59.021 58.200 -0.627 0.000 1.002 402 S CB -0.293 62.610 63.200 -0.495 0.000 0.829 402 S HN 0.278 nan 8.310 nan 0.000 0.467 403 L N 0.621 121.417 121.223 -0.710 0.000 2.042 403 L HA -0.130 4.205 4.340 -0.009 0.000 0.210 403 L C 2.594 179.191 176.870 -0.455 0.000 1.076 403 L CA 1.035 55.408 54.840 -0.779 0.000 0.749 403 L CB -0.443 40.837 42.059 -1.299 0.000 0.893 403 L HN 0.260 nan 8.230 nan 0.000 0.432 404 S N -0.888 114.671 115.700 -0.234 0.000 2.355 404 S HA -0.131 4.334 4.470 -0.009 0.000 0.222 404 S C 1.976 176.503 174.600 -0.122 0.000 1.031 404 S CA 1.038 59.244 58.200 0.010 0.000 0.993 404 S CB -0.063 63.240 63.200 0.172 0.000 0.859 404 S HN 0.157 nan 8.310 nan 0.000 0.453 405 V N 2.475 122.175 119.914 -0.357 0.000 2.392 405 V HA -0.177 3.938 4.120 -0.009 0.000 0.249 405 V C 2.556 178.675 176.094 0.043 0.000 1.059 405 V CA 1.983 64.112 62.300 -0.286 0.000 1.051 405 V CB -0.998 30.566 31.823 -0.433 0.000 0.658 405 V HN 0.707 nan 8.190 nan 0.000 0.455 406 S N 0.111 115.755 115.700 -0.092 0.000 2.481 406 S HA -0.073 4.392 4.470 -0.009 0.000 0.231 406 S C 1.189 175.808 174.600 0.031 0.000 0.996 406 S CA 0.675 58.877 58.200 0.003 0.000 0.942 406 S CB -0.951 62.010 63.200 -0.398 0.000 0.768 406 S HN 0.749 nan 8.310 nan 0.000 0.520 407 T N -0.008 114.561 114.554 0.025 0.000 2.930 407 T HA 0.302 4.647 4.350 -0.009 0.000 0.306 407 T C -1.831 172.868 174.700 -0.003 0.000 1.045 407 T CA -1.328 60.793 62.100 0.036 0.000 1.134 407 T CB 0.637 69.555 68.868 0.085 0.000 0.961 407 T HN -0.057 nan 8.240 nan 0.000 0.545 408 P HA -0.143 nan 4.420 nan 0.000 0.216 408 P C 1.596 178.827 177.300 -0.116 0.000 1.153 408 P CA 1.190 64.129 63.100 -0.268 0.000 0.858 408 P CB 0.065 31.516 31.700 -0.414 0.000 0.789 409 K N -1.018 119.373 120.400 -0.015 0.000 2.020 409 K HA -0.282 4.032 4.320 -0.009 0.000 0.212 409 K C 2.207 178.824 176.600 0.028 0.000 1.050 409 K CA 1.931 58.233 56.287 0.025 0.000 0.929 409 K CB -0.607 31.932 32.500 0.066 0.000 0.714 409 K HN 0.142 nan 8.250 nan 0.000 0.443 410 H N -0.001 119.064 119.070 -0.010 0.000 2.363 410 H HA 0.026 4.576 4.556 -0.010 0.000 0.301 410 H C 1.915 177.220 175.328 -0.038 0.000 1.074 410 H CA 1.767 57.807 56.048 -0.012 0.000 1.354 410 H CB -0.007 29.791 29.762 0.061 0.000 1.397 410 H HN 0.153 nan 8.280 nan 0.000 0.516 411 L N 0.166 121.397 121.223 0.012 0.000 2.201 411 L HA -0.115 4.220 4.340 -0.009 0.000 0.212 411 L C 2.279 179.084 176.870 -0.108 0.000 1.105 411 L CA 1.241 56.055 54.840 -0.044 0.000 0.775 411 L CB -0.275 41.768 42.059 -0.027 0.000 0.913 411 L HN 0.436 nan 8.230 nan 0.000 0.440 412 E N 0.218 120.351 120.200 -0.112 0.000 2.072 412 E HA -0.203 4.141 4.350 -0.009 0.000 0.191 412 E C 2.124 178.657 176.600 -0.112 0.000 0.985 412 E CA 0.890 57.237 56.400 -0.089 0.000 0.801 412 E CB 0.040 29.707 29.700 -0.056 0.000 0.750 412 E HN 0.444 nan 8.360 nan 0.000 0.452 413 K N 0.780 121.074 120.400 -0.176 0.000 2.103 413 K HA -0.137 4.178 4.320 -0.009 0.000 0.207 413 K C 2.126 178.586 176.600 -0.234 0.000 1.048 413 K CA 1.351 57.503 56.287 -0.225 0.000 0.930 413 K CB -0.235 32.060 32.500 -0.343 0.000 0.716 413 K HN 0.306 nan 8.250 nan 0.000 0.444 414 I N -3.149 117.264 120.570 -0.261 0.000 3.861 414 I HA 0.288 4.452 4.170 -0.009 0.000 0.329 414 I C 0.673 176.761 176.117 -0.049 0.000 1.321 414 I CA 0.140 61.345 61.300 -0.158 0.000 1.126 414 I CB 0.038 37.953 38.000 -0.142 0.000 1.018 414 I HN 0.154 nan 8.210 nan 0.000 0.407 415 G N 2.158 110.921 108.800 -0.061 0.000 2.179 415 G HA2 -0.272 3.683 3.960 -0.009 0.000 0.257 415 G HA3 -0.272 3.683 3.960 -0.009 0.000 0.257 415 G C 0.582 175.467 174.900 -0.025 0.000 1.010 415 G CA 0.663 45.747 45.100 -0.028 0.000 0.736 415 G HN 0.517 nan 8.290 nan 0.000 0.513 416 L N -1.529 119.665 121.223 -0.047 0.000 2.416 416 L HA 0.404 4.739 4.340 -0.009 0.000 0.216 416 L C 1.005 177.835 176.870 -0.067 0.000 1.098 416 L CA 0.195 54.988 54.840 -0.078 0.000 0.840 416 L CB 0.258 42.252 42.059 -0.107 0.000 0.981 416 L HN 0.287 nan 8.230 nan 0.000 0.462 417 L N 0.875 122.064 121.223 -0.057 0.000 2.343 417 L HA 0.395 4.730 4.340 -0.009 0.000 0.278 417 L C -0.671 176.198 176.870 -0.002 0.000 0.996 417 L CA -0.149 54.664 54.840 -0.045 0.000 0.831 417 L CB 1.058 43.046 42.059 -0.118 0.000 1.232 417 L HN -0.098 nan 8.230 nan 0.000 0.413 418 K N 4.064 124.484 120.400 0.033 0.000 2.203 418 K HA 0.455 4.770 4.320 -0.009 0.000 0.251 418 K C -0.677 175.973 176.600 0.084 0.000 0.944 418 K CA -0.800 55.514 56.287 0.046 0.000 0.829 418 K CB 1.435 33.950 32.500 0.025 0.000 1.125 418 K HN 0.607 nan 8.250 nan 0.000 0.430 419 D N 1.048 121.492 120.400 0.074 0.000 2.751 419 D HA -0.250 4.384 4.640 -0.009 0.000 0.233 419 D C -0.853 175.504 176.300 0.094 0.000 1.149 419 D CA 1.076 55.114 54.000 0.065 0.000 0.682 419 D CB -1.246 39.576 40.800 0.037 0.000 1.068 419 D HN 0.471 nan 8.370 nan 0.000 0.429 420 Y N 0.362 120.660 120.300 -0.004 0.000 2.336 420 Y HA 0.363 4.908 4.550 -0.008 0.000 0.335 420 Y C -0.075 175.821 175.900 -0.006 0.000 1.046 420 Y CA -0.498 57.601 58.100 -0.002 0.000 1.198 420 Y CB 0.965 39.427 38.460 0.003 0.000 1.182 420 Y HN -0.142 nan 8.280 nan 0.000 0.502 421 V N 8.189 127.855 119.914 -0.414 0.000 2.347 421 V HA 0.332 4.446 4.120 -0.009 0.000 0.280 421 V C 0.133 175.935 176.094 -0.486 0.000 1.021 421 V CA -0.887 61.230 62.300 -0.305 0.000 0.847 421 V CB 1.183 32.884 31.823 -0.204 0.000 0.990 421 V HN 0.698 nan 8.190 nan 0.000 0.444 422 R N 3.761 124.130 120.500 -0.219 0.000 3.701 422 R HA 0.174 4.508 4.340 -0.009 0.000 0.210 422 R C -0.163 176.079 176.300 -0.097 0.000 1.598 422 R CA -0.420 55.619 56.100 -0.102 0.000 1.427 422 R CB -0.220 30.173 30.300 0.154 0.000 1.339 422 R HN 0.931 nan 8.270 nan 0.000 0.720 423 D N -0.397 119.903 120.400 -0.166 0.000 2.478 423 D HA 0.032 4.667 4.640 -0.009 0.000 0.269 423 D C 0.431 176.643 176.300 -0.147 0.000 1.232 423 D CA -0.553 53.363 54.000 -0.141 0.000 1.059 423 D CB 0.561 41.262 40.800 -0.164 0.000 1.104 423 D HN -0.016 nan 8.370 nan 0.000 0.566 424 D N -0.831 119.475 120.400 -0.156 0.000 2.149 424 D HA -0.136 4.499 4.640 -0.009 0.000 0.198 424 D C 1.626 177.757 176.300 -0.281 0.000 0.990 424 D CA 1.236 55.136 54.000 -0.167 0.000 0.839 424 D CB -0.038 40.680 40.800 -0.136 0.000 0.948 424 D HN 0.548 nan 8.370 nan 0.000 0.460 425 E N 0.191 120.125 120.200 -0.442 0.000 2.072 425 E HA -0.020 4.325 4.350 -0.009 0.000 0.190 425 E C 2.122 178.527 176.600 -0.325 0.000 0.982 425 E CA 0.779 56.722 56.400 -0.763 0.000 0.803 425 E CB -0.040 28.969 29.700 -1.152 0.000 0.755 425 E HN 0.192 nan 8.360 nan 0.000 0.453 426 A N 1.765 124.450 122.820 -0.225 0.000 1.933 426 A HA -0.210 4.105 4.320 -0.009 0.000 0.218 426 A C 2.109 179.702 177.584 0.016 0.000 1.175 426 A CA 1.320 53.297 52.037 -0.100 0.000 0.628 426 A CB -0.442 18.408 19.000 -0.251 0.000 0.814 426 A HN 0.055 nan 8.150 nan 0.000 0.444 427 R N -0.393 120.090 120.500 -0.029 0.000 2.081 427 R HA -0.103 4.232 4.340 -0.009 0.000 0.235 427 R C 1.842 178.143 176.300 0.001 0.000 1.131 427 R CA 1.582 57.688 56.100 0.011 0.000 0.960 427 R CB -0.296 29.991 30.300 -0.022 0.000 0.856 427 R HN 0.443 nan 8.270 nan 0.000 0.436 428 I N 1.904 122.425 120.570 -0.082 0.000 2.226 428 I HA -0.263 3.902 4.170 -0.009 0.000 0.245 428 I C 1.792 177.893 176.117 -0.027 0.000 1.100 428 I CA 1.282 62.491 61.300 -0.151 0.000 1.374 428 I CB -1.489 36.216 38.000 -0.492 0.000 1.057 428 I HN 0.206 nan 8.210 nan 0.000 0.413 429 N N 0.821 119.551 118.700 0.050 0.000 2.104 429 N HA -0.248 4.486 4.740 -0.009 0.000 0.190 429 N C 1.859 177.495 175.510 0.210 0.000 1.024 429 N CA 1.343 54.477 53.050 0.141 0.000 0.853 429 N CB -0.386 38.195 38.487 0.157 0.000 1.008 429 N HN 0.414 nan 8.380 nan 0.000 0.424 430 Q N 0.629 120.539 119.800 0.182 0.000 2.083 430 Q HA 0.099 4.433 4.340 -0.009 0.000 0.198 430 Q C 2.019 178.146 176.000 0.211 0.000 0.969 430 Q CA 1.024 56.940 55.803 0.188 0.000 0.838 430 Q CB -0.347 28.489 28.738 0.164 0.000 0.900 430 Q HN 0.365 nan 8.270 nan 0.000 0.436 431 L N -0.563 120.782 121.223 0.204 0.000 2.046 431 L HA -0.120 4.214 4.340 -0.009 0.000 0.208 431 L C 2.182 179.290 176.870 0.396 0.000 1.077 431 L CA 1.319 56.334 54.840 0.291 0.000 0.747 431 L CB -0.478 41.716 42.059 0.225 0.000 0.896 431 L HN 0.273 nan 8.230 nan 0.000 0.432 432 F N -0.224 119.830 119.950 0.173 0.000 2.102 432 F HA -0.282 4.240 4.527 -0.009 0.000 0.298 432 F C 2.302 178.213 175.800 0.185 0.000 1.105 432 F CA 1.230 59.327 58.000 0.163 0.000 1.239 432 F CB -0.039 39.020 39.000 0.098 0.000 0.991 432 F HN -0.046 nan 8.300 nan 0.000 0.474 433 L N 0.391 121.791 121.223 0.295 0.000 2.013 433 L HA -0.227 4.108 4.340 -0.009 0.000 0.212 433 L C 2.288 179.242 176.870 0.139 0.000 1.073 433 L CA 2.478 57.440 54.840 0.203 0.000 0.753 433 L CB -1.547 40.641 42.059 0.216 0.000 0.890 433 L HN 0.186 nan 8.230 nan 0.000 0.432 434 T N -0.054 114.620 114.554 0.200 0.000 2.746 434 T HA -0.143 4.202 4.350 -0.009 0.000 0.267 434 T C 1.893 176.720 174.700 0.212 0.000 1.039 434 T CA 1.376 63.610 62.100 0.223 0.000 1.142 434 T CB -0.534 68.539 68.868 0.342 0.000 0.866 434 T HN 0.514 nan 8.240 nan 0.000 0.444 435 A N 1.231 124.141 122.820 0.151 0.000 1.969 435 A HA 0.071 4.385 4.320 -0.009 0.000 0.218 435 A C 2.233 179.645 177.584 -0.286 0.000 1.169 435 A CA 0.982 52.851 52.037 -0.281 0.000 0.635 435 A CB -0.829 17.904 19.000 -0.446 0.000 0.810 435 A HN 0.494 nan 8.150 nan 0.000 0.445 436 L N -0.706 120.367 121.223 -0.249 0.000 2.265 436 L HA -0.169 4.165 4.340 -0.009 0.000 0.215 436 L C 1.594 178.399 176.870 -0.109 0.000 1.117 436 L CA 1.104 55.828 54.840 -0.194 0.000 0.782 436 L CB -0.351 41.688 42.059 -0.034 0.000 0.914 436 L HN 0.298 nan 8.230 nan 0.000 0.441 437 D N -0.896 119.491 120.400 -0.022 0.000 2.338 437 D HA -0.039 4.596 4.640 -0.009 0.000 0.224 437 D C 2.184 178.582 176.300 0.163 0.000 0.967 437 D CA 0.712 54.744 54.000 0.053 0.000 0.896 437 D CB 0.246 41.076 40.800 0.051 0.000 1.028 437 D HN 0.037 nan 8.370 nan 0.000 0.493 438 K N 0.349 120.832 120.400 0.139 0.000 2.202 438 K HA 0.133 4.448 4.320 -0.009 0.000 0.201 438 K C 1.939 178.659 176.600 0.199 0.000 1.051 438 K CA 0.275 56.744 56.287 0.304 0.000 0.977 438 K CB 0.427 33.120 32.500 0.321 0.000 0.792 438 K HN 0.138 nan 8.250 nan 0.000 0.469 439 I N 0.768 121.262 120.570 -0.126 0.000 2.429 439 I HA -0.112 4.053 4.170 -0.009 0.000 0.247 439 I C 2.371 178.450 176.117 -0.063 0.000 1.099 439 I CA 0.645 61.846 61.300 -0.164 0.000 1.422 439 I CB -1.042 36.740 38.000 -0.362 0.000 1.112 439 I HN -0.230 nan 8.210 nan 0.000 0.430 440 V N 1.250 121.076 119.914 -0.148 0.000 2.324 440 V HA -0.326 3.788 4.120 -0.009 0.000 0.250 440 V C 2.449 178.415 176.094 -0.213 0.000 1.060 440 V CA 2.033 64.157 62.300 -0.294 0.000 1.042 440 V CB -0.841 30.460 31.823 -0.871 0.000 0.650 440 V HN 0.294 nan 8.190 nan 0.000 0.450 441 F N -0.020 119.793 119.950 -0.228 0.000 2.269 441 F HA -0.139 4.383 4.527 -0.008 0.000 0.301 441 F C 1.950 177.660 175.800 -0.149 0.000 1.082 441 F CA 1.313 59.189 58.000 -0.207 0.000 1.360 441 F CB -0.179 38.594 39.000 -0.377 0.000 1.041 441 F HN 0.059 nan 8.300 nan 0.000 0.512 442 L N 0.912 122.088 121.223 -0.080 0.000 1.970 442 L HA -0.188 4.146 4.340 -0.009 0.000 0.212 442 L C -0.208 176.567 176.870 -0.159 0.000 1.071 442 L CA 1.546 56.339 54.840 -0.078 0.000 0.751 442 L CB -2.491 39.632 42.059 0.108 0.000 0.889 442 L HN 0.085 nan 8.230 nan 0.000 0.432 443 P HA -0.240 nan 4.420 nan 0.000 0.217 443 P C 1.686 178.823 177.300 -0.271 0.000 1.150 443 P CA 1.536 64.543 63.100 -0.156 0.000 0.832 443 P CB -0.177 31.459 31.700 -0.107 0.000 0.787 444 F N 1.725 121.437 119.950 -0.397 0.000 2.043 444 F HA -0.207 4.315 4.527 -0.009 0.000 0.297 444 F C 2.351 177.827 175.800 -0.540 0.000 1.121 444 F CA 2.156 59.901 58.000 -0.425 0.000 1.199 444 F CB -1.038 37.716 39.000 -0.409 0.000 0.968 444 F HN -0.073 nan 8.300 nan 0.000 0.478 445 A N 0.179 122.584 122.820 -0.691 0.000 1.908 445 A HA -0.211 4.103 4.320 -0.009 0.000 0.218 445 A C 2.200 179.545 177.584 -0.398 0.000 1.181 445 A CA 1.587 53.297 52.037 -0.546 0.000 0.627 445 A CB -1.553 17.102 19.000 -0.574 0.000 0.818 445 A HN 0.515 nan 8.150 nan 0.000 0.445 446 F N 1.926 121.505 119.950 -0.618 0.000 2.126 446 F HA -0.172 4.349 4.527 -0.009 0.000 0.299 446 F C 2.891 178.214 175.800 -0.795 0.000 1.096 446 F CA 1.932 59.514 58.000 -0.696 0.000 1.255 446 F CB -1.111 37.358 39.000 -0.884 0.000 0.997 446 F HN 0.435 nan 8.300 nan 0.000 0.479 447 T N -2.358 111.796 114.554 -0.666 0.000 2.867 447 T HA -0.197 4.147 4.350 -0.009 0.000 0.268 447 T C 2.049 176.378 174.700 -0.619 0.000 1.057 447 T CA 1.200 62.868 62.100 -0.720 0.000 1.136 447 T CB -0.377 68.094 68.868 -0.663 0.000 0.874 447 T HN 0.061 nan 8.240 nan 0.000 0.466 448 M N 1.952 121.128 119.600 -0.707 0.000 2.080 448 M HA -0.068 4.407 4.480 -0.009 0.000 0.260 448 M C 1.689 177.764 176.300 -0.375 0.000 1.068 448 M CA 1.652 56.602 55.300 -0.584 0.000 1.109 448 M CB -1.222 30.841 32.600 -0.895 0.000 1.342 448 M HN 0.269 nan 8.290 nan 0.000 0.405 449 D N -0.368 119.738 120.400 -0.491 0.000 2.240 449 D HA -0.011 4.624 4.640 -0.009 0.000 0.206 449 D C 2.032 177.635 176.300 -1.163 0.000 0.963 449 D CA 0.684 54.234 54.000 -0.751 0.000 0.863 449 D CB -0.036 40.274 40.800 -0.816 0.000 0.973 449 D HN 0.293 nan 8.370 nan 0.000 0.501 450 K N -0.166 119.673 120.400 -0.935 0.000 2.063 450 K HA -0.202 4.112 4.320 -0.009 0.000 0.208 450 K C 2.016 178.443 176.600 -0.289 0.000 1.048 450 K CA 0.961 56.895 56.287 -0.587 0.000 0.928 450 K CB -0.223 31.888 32.500 -0.649 0.000 0.713 450 K HN 0.173 nan 8.250 nan 0.000 0.442 451 Y N 1.805 121.859 120.300 -0.410 0.000 2.089 451 Y HA -0.215 4.330 4.550 -0.009 0.000 0.282 451 Y C 2.155 177.872 175.900 -0.304 0.000 1.139 451 Y CA 1.548 59.478 58.100 -0.285 0.000 1.123 451 Y CB -0.140 38.197 38.460 -0.204 0.000 0.980 451 Y HN -0.087 nan 8.280 nan 0.000 0.493 452 R N -1.166 119.065 120.500 -0.448 0.000 2.081 452 R HA -0.217 4.118 4.340 -0.009 0.000 0.235 452 R C 2.107 177.920 176.300 -0.811 0.000 1.131 452 R CA 1.571 57.220 56.100 -0.751 0.000 0.960 452 R CB -0.688 29.337 30.300 -0.459 0.000 0.856 452 R HN 0.414 nan 8.270 nan 0.000 0.436 453 W N 0.995 122.050 121.300 -0.408 0.000 2.318 453 W HA -0.190 4.464 4.660 -0.009 0.000 0.313 453 W C 2.659 179.048 176.519 -0.216 0.000 1.221 453 W CA 1.478 58.709 57.345 -0.190 0.000 1.266 453 W CB -1.423 28.023 29.460 -0.023 0.000 1.150 453 W HN 0.199 nan 8.180 nan 0.000 0.496 454 S N -0.045 115.635 115.700 -0.035 0.000 2.399 454 S HA -0.145 4.320 4.470 -0.009 0.000 0.231 454 S C 1.962 176.452 174.600 -0.183 0.000 1.022 454 S CA 1.342 59.495 58.200 -0.078 0.000 0.983 454 S CB -0.911 62.242 63.200 -0.078 0.000 0.803 454 S HN 0.252 nan 8.310 nan 0.000 0.480 455 L N -0.388 120.567 121.223 -0.447 0.000 2.044 455 L HA 0.058 4.392 4.340 -0.009 0.000 0.205 455 L C 2.616 179.397 176.870 -0.148 0.000 1.075 455 L CA 1.442 55.985 54.840 -0.495 0.000 0.747 455 L CB -0.834 40.623 42.059 -1.004 0.000 0.903 455 L HN 0.288 nan 8.230 nan 0.000 0.435 456 F N 0.516 120.331 119.950 -0.225 0.000 2.120 456 F HA -0.234 4.287 4.527 -0.009 0.000 0.300 456 F C 2.623 178.356 175.800 -0.111 0.000 1.095 456 F CA 0.800 58.682 58.000 -0.196 0.000 1.249 456 F CB -0.214 38.648 39.000 -0.231 0.000 0.995 456 F HN 0.017 nan 8.300 nan 0.000 0.480 457 R N 0.224 120.797 120.500 0.123 0.000 2.323 457 R HA 0.056 4.391 4.340 -0.009 0.000 0.198 457 R C 1.309 177.646 176.300 0.063 0.000 0.988 457 R CA 0.563 56.705 56.100 0.069 0.000 1.041 457 R CB -0.355 29.978 30.300 0.056 0.000 0.926 457 R HN 0.386 nan 8.270 nan 0.000 0.476 458 G N 1.445 110.291 108.800 0.077 0.000 2.198 458 G HA2 -0.300 3.654 3.960 -0.009 0.000 0.257 458 G HA3 -0.300 3.654 3.960 -0.009 0.000 0.257 458 G C 0.320 175.280 174.900 0.101 0.000 1.042 458 G CA 0.418 45.581 45.100 0.105 0.000 0.791 458 G HN 0.468 nan 8.290 nan 0.000 0.502 459 E N -1.318 118.930 120.200 0.080 0.000 2.442 459 E HA 0.248 4.593 4.350 -0.009 0.000 0.195 459 E C 0.608 177.273 176.600 0.107 0.000 1.030 459 E CA 0.527 56.973 56.400 0.078 0.000 0.869 459 E CB 0.683 30.417 29.700 0.056 0.000 0.857 459 E HN 0.399 nan 8.360 nan 0.000 0.505 460 V N 2.249 122.255 119.914 0.153 0.000 2.487 460 V HA 0.137 4.251 4.120 -0.009 0.000 0.298 460 V C -0.425 175.908 176.094 0.398 0.000 1.028 460 V CA -1.103 61.343 62.300 0.243 0.000 0.860 460 V CB 1.851 33.800 31.823 0.210 0.000 0.991 460 V HN -0.003 nan 8.190 nan 0.000 0.427 461 D N 3.297 123.866 120.400 0.282 0.000 2.414 461 D HA 0.119 4.753 4.640 -0.009 0.000 0.242 461 D C 1.083 177.453 176.300 0.116 0.000 1.129 461 D CA -0.023 54.088 54.000 0.184 0.000 0.885 461 D CB 1.467 42.326 40.800 0.099 0.000 1.198 461 D HN 0.457 nan 8.370 nan 0.000 0.437 462 K N 1.430 121.678 120.400 -0.253 0.000 2.160 462 K HA -0.200 4.114 4.320 -0.009 0.000 0.206 462 K C 1.681 178.032 176.600 -0.414 0.000 1.047 462 K CA 1.238 56.980 56.287 -0.910 0.000 0.930 462 K CB 0.008 32.010 32.500 -0.831 0.000 0.720 462 K HN 0.418 nan 8.250 nan 0.000 0.450 463 A N 1.108 123.845 122.820 -0.138 0.000 2.121 463 A HA -0.129 4.185 4.320 -0.009 0.000 0.218 463 A C 1.075 178.720 177.584 0.101 0.000 1.154 463 A CA 1.346 53.373 52.037 -0.017 0.000 0.679 463 A CB -0.290 18.712 19.000 0.003 0.000 0.795 463 A HN 0.408 nan 8.150 nan 0.000 0.458 464 N N -2.333 116.484 118.700 0.194 0.000 2.200 464 N HA 0.070 4.804 4.740 -0.009 0.000 0.224 464 N C 0.550 176.343 175.510 0.472 0.000 1.179 464 N CA -0.367 52.858 53.050 0.291 0.000 0.877 464 N CB 0.178 38.814 38.487 0.248 0.000 1.072 464 N HN 0.499 nan 8.380 nan 0.000 0.519 465 W N 1.544 122.993 121.300 0.248 0.000 2.342 465 W HA -0.022 4.633 4.660 -0.009 0.000 0.297 465 W C 2.137 178.927 176.519 0.452 0.000 1.213 465 W CA 0.762 58.336 57.345 0.381 0.000 1.251 465 W CB -0.777 28.945 29.460 0.436 0.000 1.136 465 W HN 0.205 nan 8.180 nan 0.000 0.526 466 N N -0.970 118.094 118.700 0.608 0.000 2.207 466 N HA -0.118 4.616 4.740 -0.009 0.000 0.182 466 N C 1.593 177.313 175.510 0.349 0.000 1.020 466 N CA 1.819 55.112 53.050 0.405 0.000 0.858 466 N CB -0.714 38.028 38.487 0.425 0.000 0.991 466 N HN -0.081 nan 8.380 nan 0.000 0.427 467 c N 0.016 118.834 118.600 0.363 0.000 2.448 467 c HA 0.251 4.816 4.570 -0.009 0.000 0.280 467 c C 2.653 176.908 174.090 0.275 0.000 1.398 467 c CA 0.343 56.873 56.329 0.336 0.000 1.774 467 c CB -1.457 41.213 42.510 0.267 0.000 1.888 467 c HN 0.532 nan 8.230 nan 0.000 0.519 468 A N 0.118 123.114 122.820 0.292 0.000 1.933 468 A HA -0.182 4.132 4.320 -0.009 0.000 0.218 468 A C 1.854 179.544 177.584 0.176 0.000 1.175 468 A CA 1.494 53.693 52.037 0.270 0.000 0.628 468 A CB -0.712 18.496 19.000 0.348 0.000 0.814 468 A HN 0.537 nan 8.150 nan 0.000 0.444 469 F N -0.899 118.932 119.950 -0.198 0.000 2.084 469 F HA -0.136 4.386 4.527 -0.009 0.000 0.296 469 F C 2.008 177.509 175.800 -0.498 0.000 1.111 469 F CA 1.663 59.156 58.000 -0.846 0.000 1.224 469 F CB -0.584 37.534 39.000 -1.470 0.000 0.991 469 F HN 0.386 nan 8.300 nan 0.000 0.471 470 W N 0.906 122.152 121.300 -0.090 0.000 2.425 470 W HA -0.079 4.575 4.660 -0.009 0.000 0.277 470 W C 2.401 178.865 176.519 -0.091 0.000 1.231 470 W CA 0.771 58.047 57.345 -0.116 0.000 1.248 470 W CB -0.306 29.180 29.460 0.044 0.000 1.117 470 W HN -0.085 nan 8.180 nan 0.000 0.568 471 K N 0.384 120.884 120.400 0.166 0.000 2.063 471 K HA -0.180 4.135 4.320 -0.009 0.000 0.208 471 K C 1.837 178.493 176.600 0.094 0.000 1.048 471 K CA 1.421 57.789 56.287 0.135 0.000 0.928 471 K CB -0.641 31.939 32.500 0.134 0.000 0.713 471 K HN 0.219 nan 8.250 nan 0.000 0.442 472 L N 0.683 121.907 121.223 0.002 0.000 2.017 472 L HA -0.183 4.151 4.340 -0.009 0.000 0.208 472 L C 2.481 179.357 176.870 0.010 0.000 1.073 472 L CA 1.018 55.866 54.840 0.014 0.000 0.745 472 L CB -0.343 41.617 42.059 -0.166 0.000 0.894 472 L HN 0.112 nan 8.230 nan 0.000 0.432 473 R N -0.040 120.350 120.500 -0.182 0.000 2.105 473 R HA -0.191 4.144 4.340 -0.009 0.000 0.239 473 R C 1.830 178.188 176.300 0.096 0.000 1.135 473 R CA 1.603 57.654 56.100 -0.083 0.000 0.967 473 R CB -0.963 29.286 30.300 -0.085 0.000 0.861 473 R HN 0.437 nan 8.270 nan 0.000 0.442 474 D N 0.824 121.303 120.400 0.132 0.000 2.077 474 D HA -0.186 4.449 4.640 -0.009 0.000 0.196 474 D C 1.776 178.270 176.300 0.322 0.000 0.986 474 D CA 1.462 55.555 54.000 0.155 0.000 0.829 474 D CB -0.144 40.763 40.800 0.179 0.000 0.983 474 D HN 0.324 nan 8.370 nan 0.000 0.453 475 E N -1.615 118.752 120.200 0.279 0.000 2.070 475 E HA -0.239 4.106 4.350 -0.009 0.000 0.197 475 E C 2.074 178.791 176.600 0.195 0.000 1.004 475 E CA 1.247 57.768 56.400 0.202 0.000 0.805 475 E CB -0.177 29.520 29.700 -0.005 0.000 0.744 475 E HN 0.450 nan 8.360 nan 0.000 0.451 476 Y N -0.711 119.730 120.300 0.235 0.000 2.343 476 Y HA 0.115 4.660 4.550 -0.009 0.000 0.294 476 Y C 2.552 178.631 175.900 0.299 0.000 1.122 476 Y CA 0.922 59.166 58.100 0.241 0.000 1.173 476 Y CB 0.372 38.820 38.460 -0.021 0.000 1.077 476 Y HN -0.020 nan 8.280 nan 0.000 0.542 477 S N -1.486 114.394 115.700 0.299 0.000 2.502 477 S HA 0.195 4.659 4.470 -0.009 0.000 0.215 477 S C 1.429 176.020 174.600 -0.015 0.000 1.009 477 S CA 0.571 58.918 58.200 0.246 0.000 0.908 477 S CB 0.168 63.512 63.200 0.241 0.000 0.801 477 S HN 0.617 nan 8.310 nan 0.000 0.505 478 G N 2.298 110.764 108.800 -0.556 0.000 2.273 478 G HA2 -0.253 3.702 3.960 -0.009 0.000 0.280 478 G HA3 -0.253 3.702 3.960 -0.009 0.000 0.280 478 G C -0.096 174.495 174.900 -0.515 0.000 1.047 478 G CA 0.724 44.834 45.100 -1.651 0.000 0.869 478 G HN 0.600 nan 8.290 nan 0.000 0.502 479 I N -3.367 117.103 120.570 -0.167 0.000 3.067 479 I HA 1.049 5.213 4.170 -0.009 0.000 0.312 479 I C -0.337 175.752 176.117 -0.047 0.000 1.073 479 I CA -1.732 59.541 61.300 -0.044 0.000 1.016 479 I CB 2.119 40.188 38.000 0.115 0.000 1.227 479 I HN 0.441 nan 8.210 nan 0.000 0.456 480 E N 1.387 121.511 120.200 -0.126 0.000 2.412 480 E HA 0.622 4.966 4.350 -0.009 0.000 0.279 480 E C -3.127 173.162 176.600 -0.520 0.000 0.984 480 E CA -2.176 54.064 56.400 -0.266 0.000 0.788 480 E CB 1.607 31.162 29.700 -0.242 0.000 1.277 480 E HN 0.319 nan 8.360 nan 0.000 0.455 481 P HA 0.039 nan 4.420 nan 0.000 0.269 481 P C -1.879 174.796 177.300 -1.040 0.000 1.217 481 P CA -0.970 61.363 63.100 -1.279 0.000 0.783 481 P CB 0.180 31.035 31.700 -1.408 0.000 0.898 482 P HA -0.060 nan 4.420 nan 0.000 0.225 482 P C 0.166 177.029 177.300 -0.728 0.000 1.156 482 P CA 1.189 63.647 63.100 -1.069 0.000 0.787 482 P CB 0.185 30.941 31.700 -1.574 0.000 0.802 483 V N -4.221 115.267 119.914 -0.710 0.000 3.074 483 V HA 0.489 4.604 4.120 -0.009 0.000 0.314 483 V C -0.067 175.811 176.094 -0.360 0.000 1.117 483 V CA -1.428 60.623 62.300 -0.414 0.000 1.014 483 V CB 1.869 33.526 31.823 -0.277 0.000 1.057 483 V HN -0.334 nan 8.190 nan 0.000 0.438 484 V N 3.803 123.586 119.914 -0.219 0.000 2.529 484 V HA 0.360 4.474 4.120 -0.009 0.000 0.292 484 V C 0.556 176.586 176.094 -0.108 0.000 1.028 484 V CA 0.004 62.207 62.300 -0.161 0.000 1.074 484 V CB -0.086 31.680 31.823 -0.094 0.000 0.958 484 V HN 0.904 nan 8.190 nan 0.000 0.481 485 R N 3.338 123.775 120.500 -0.104 0.000 2.782 485 R HA 0.829 5.164 4.340 -0.009 0.000 0.258 485 R C 0.050 176.394 176.300 0.073 0.000 1.055 485 R CA -0.464 55.645 56.100 0.016 0.000 1.065 485 R CB 1.848 32.179 30.300 0.050 0.000 1.172 485 R HN 0.854 nan 8.270 nan 0.000 0.510 486 S N -1.206 114.579 115.700 0.141 0.000 2.790 486 S HA 0.275 4.740 4.470 -0.009 0.000 0.292 486 S C 0.105 174.825 174.600 0.200 0.000 1.197 486 S CA -0.777 57.511 58.200 0.147 0.000 0.851 486 S CB 1.281 64.542 63.200 0.101 0.000 1.217 486 S HN 0.405 nan 8.310 nan 0.000 0.526 487 E N 0.576 120.883 120.200 0.178 0.000 2.516 487 E HA 0.080 4.425 4.350 -0.009 0.000 0.199 487 E C 0.838 177.538 176.600 0.166 0.000 1.069 487 E CA 0.255 56.773 56.400 0.196 0.000 0.876 487 E CB -0.110 29.685 29.700 0.159 0.000 0.843 487 E HN 0.383 nan 8.360 nan 0.000 0.530 488 K N 0.800 121.284 120.400 0.140 0.000 2.366 488 K HA 0.024 4.338 4.320 -0.009 0.000 0.198 488 K C 0.453 177.144 176.600 0.151 0.000 1.044 488 K CA 0.483 56.841 56.287 0.118 0.000 0.973 488 K CB 0.171 32.724 32.500 0.088 0.000 0.767 488 K HN 0.179 nan 8.250 nan 0.000 0.475 489 D N -0.366 120.157 120.400 0.204 0.000 2.326 489 D HA 0.224 4.858 4.640 -0.009 0.000 0.251 489 D C -0.852 175.659 176.300 0.352 0.000 1.023 489 D CA -0.455 53.691 54.000 0.244 0.000 0.966 489 D CB 1.204 42.158 40.800 0.256 0.000 1.156 489 D HN -0.178 nan 8.370 nan 0.000 0.494 490 F N 1.224 121.239 119.950 0.109 0.000 3.034 490 F HA 0.176 4.697 4.527 -0.009 0.000 0.371 490 F C 0.078 175.847 175.800 -0.052 0.000 1.233 490 F CA -0.650 57.376 58.000 0.044 0.000 1.134 490 F CB 1.028 40.049 39.000 0.035 0.000 1.495 490 F HN 0.064 nan 8.300 nan 0.000 0.563 491 D N 2.968 123.111 120.400 -0.429 0.000 2.327 491 D HA 0.099 4.733 4.640 -0.009 0.000 0.205 491 D C 2.095 177.902 176.300 -0.822 0.000 0.989 491 D CA 0.873 54.707 54.000 -0.277 0.000 0.873 491 D CB 0.463 41.471 40.800 0.346 0.000 0.955 491 D HN 0.565 nan 8.370 nan 0.000 0.515 492 A N 2.118 123.977 122.820 -1.602 0.000 1.892 492 A HA -0.138 4.177 4.320 -0.009 0.000 0.218 492 A C -0.389 176.650 177.584 -0.909 0.000 1.188 492 A CA 1.327 52.308 52.037 -1.760 0.000 0.631 492 A CB -1.493 16.459 19.000 -1.747 0.000 0.822 492 A HN 0.155 nan 8.150 nan 0.000 0.447 493 P HA 0.057 nan 4.420 nan 0.000 0.239 493 P C 1.136 178.332 177.300 -0.174 0.000 1.184 493 P CA 1.064 63.949 63.100 -0.358 0.000 0.760 493 P CB -0.048 31.534 31.700 -0.197 0.000 0.884 494 A N -0.883 121.787 122.820 -0.249 0.000 2.172 494 A HA -0.104 4.210 4.320 -0.009 0.000 0.216 494 A C 1.328 179.160 177.584 0.413 0.000 1.154 494 A CA 0.894 52.854 52.037 -0.129 0.000 0.701 494 A CB -0.801 17.757 19.000 -0.738 0.000 0.789 494 A HN 0.050 nan 8.150 nan 0.000 0.465 495 K N -0.871 119.574 120.400 0.076 0.000 2.227 495 K HA 0.325 4.639 4.320 -0.009 0.000 0.280 495 K C 0.443 176.841 176.600 -0.337 0.000 1.041 495 K CA -0.731 55.441 56.287 -0.192 0.000 0.905 495 K CB 0.218 32.532 32.500 -0.309 0.000 1.068 495 K HN 0.238 nan 8.250 nan 0.000 0.470 496 Y N 4.233 124.115 120.300 -0.697 0.000 2.069 496 Y HA -0.346 4.200 4.550 -0.008 0.000 0.278 496 Y C 1.129 176.594 175.900 -0.724 0.000 1.175 496 Y CA 2.447 59.807 58.100 -1.233 0.000 1.134 496 Y CB -0.310 37.418 38.460 -1.221 0.000 0.965 496 Y HN 0.939 nan 8.280 nan 0.000 0.498 497 H N -0.411 118.307 119.070 -0.587 0.000 2.422 497 H HA -0.136 4.415 4.556 -0.009 0.000 0.298 497 H C 2.296 177.439 175.328 -0.307 0.000 1.098 497 H CA 1.964 57.776 56.048 -0.393 0.000 1.315 497 H CB -0.366 29.423 29.762 0.046 0.000 1.382 497 H HN 0.417 nan 8.280 nan 0.000 0.523 498 I N -0.676 119.789 120.570 -0.175 0.000 2.233 498 I HA -0.213 3.951 4.170 -0.009 0.000 0.243 498 I C 2.143 178.212 176.117 -0.080 0.000 1.093 498 I CA 1.010 62.274 61.300 -0.060 0.000 1.380 498 I CB -0.257 37.658 38.000 -0.142 0.000 1.067 498 I HN 0.146 nan 8.210 nan 0.000 0.413 499 S N 0.743 116.288 115.700 -0.258 0.000 2.399 499 S HA -0.082 4.383 4.470 -0.009 0.000 0.231 499 S C 1.917 176.315 174.600 -0.336 0.000 1.022 499 S CA 1.384 59.447 58.200 -0.228 0.000 0.983 499 S CB -0.161 62.914 63.200 -0.207 0.000 0.803 499 S HN 0.533 nan 8.310 nan 0.000 0.480 500 A N 0.532 123.006 122.820 -0.575 0.000 2.275 500 A HA 0.270 4.584 4.320 -0.009 0.000 0.212 500 A C 0.553 177.968 177.584 -0.281 0.000 1.201 500 A CA 0.400 52.110 52.037 -0.546 0.000 0.843 500 A CB -0.226 18.111 19.000 -1.105 0.000 0.873 500 A HN 0.382 nan 8.150 nan 0.000 0.492 501 D N -0.879 119.413 120.400 -0.180 0.000 2.737 501 D HA -0.134 4.501 4.640 -0.009 0.000 0.238 501 D C -0.842 175.550 176.300 0.153 0.000 1.157 501 D CA 0.828 54.879 54.000 0.085 0.000 0.694 501 D CB -1.598 39.257 40.800 0.092 0.000 1.021 501 D HN 0.190 nan 8.370 nan 0.000 0.420 502 V N 2.079 122.036 119.914 0.072 0.000 2.409 502 V HA 0.267 4.382 4.120 -0.009 0.000 0.291 502 V C 0.671 176.742 176.094 -0.039 0.000 1.020 502 V CA -0.971 61.350 62.300 0.036 0.000 0.848 502 V CB 1.691 33.556 31.823 0.069 0.000 0.990 502 V HN 0.306 nan 8.190 nan 0.000 0.430 503 E N 2.786 122.708 120.200 -0.463 0.000 2.502 503 E HA -0.109 4.236 4.350 -0.009 0.000 0.261 503 E C -0.573 175.849 176.600 -0.297 0.000 0.974 503 E CA 0.509 56.324 56.400 -0.975 0.000 0.936 503 E CB 0.632 29.507 29.700 -1.375 0.000 0.926 503 E HN 0.696 nan 8.360 nan 0.000 0.459 504 Y N 3.915 124.032 120.300 -0.304 0.000 2.498 504 Y HA 0.018 4.563 4.550 -0.009 0.000 0.259 504 Y C 1.855 177.732 175.900 -0.039 0.000 1.086 504 Y CA 0.059 58.120 58.100 -0.065 0.000 1.287 504 Y CB 0.328 38.703 38.460 -0.142 0.000 1.146 504 Y HN 0.601 nan 8.280 nan 0.000 0.523 505 L N 1.484 122.709 121.223 0.004 0.000 2.127 505 L HA -0.241 4.094 4.340 -0.009 0.000 0.211 505 L C 2.579 179.450 176.870 0.003 0.000 1.089 505 L CA 1.875 56.730 54.840 0.024 0.000 0.757 505 L CB -0.512 41.664 42.059 0.195 0.000 0.899 505 L HN 0.262 nan 8.230 nan 0.000 0.434 506 R N -1.821 118.663 120.500 -0.026 0.000 2.153 506 R HA -0.280 4.055 4.340 -0.009 0.000 0.252 506 R C 1.953 178.134 176.300 -0.198 0.000 1.158 506 R CA 2.375 58.409 56.100 -0.110 0.000 0.975 506 R CB -1.372 28.727 30.300 -0.336 0.000 0.871 506 R HN 0.370 nan 8.270 nan 0.000 0.450 507 Y N 0.670 120.908 120.300 -0.103 0.000 2.286 507 Y HA -0.031 4.513 4.550 -0.010 0.000 0.293 507 Y C 2.251 178.225 175.900 0.123 0.000 1.124 507 Y CA 0.659 58.756 58.100 -0.005 0.000 1.178 507 Y CB -0.361 37.965 38.460 -0.223 0.000 1.010 507 Y HN 0.040 nan 8.280 nan 0.000 0.536 508 L N -0.479 120.800 121.223 0.093 0.000 2.017 508 L HA -0.134 4.201 4.340 -0.009 0.000 0.208 508 L C 2.127 179.006 176.870 0.014 0.000 1.073 508 L CA 1.474 56.302 54.840 -0.020 0.000 0.745 508 L CB -0.935 40.964 42.059 -0.267 0.000 0.894 508 L HN 0.036 nan 8.230 nan 0.000 0.432 509 V N -0.754 119.146 119.914 -0.023 0.000 2.287 509 V HA -0.314 3.800 4.120 -0.009 0.000 0.248 509 V C 2.792 178.902 176.094 0.026 0.000 1.053 509 V CA 1.919 64.202 62.300 -0.029 0.000 1.027 509 V CB -1.071 30.771 31.823 0.033 0.000 0.646 509 V HN 0.689 nan 8.190 nan 0.000 0.447 510 S N -0.333 115.437 115.700 0.117 0.000 2.368 510 S HA -0.267 4.198 4.470 -0.009 0.000 0.226 510 S C 1.893 176.598 174.600 0.176 0.000 1.044 510 S CA 2.172 60.459 58.200 0.145 0.000 1.062 510 S CB -0.568 62.793 63.200 0.268 0.000 0.931 510 S HN 0.548 nan 8.310 nan 0.000 0.440 511 F N 0.786 120.776 119.950 0.066 0.000 2.333 511 F HA 0.031 4.553 4.527 -0.009 0.000 0.300 511 F C 1.992 177.891 175.800 0.166 0.000 1.083 511 F CA 0.757 58.832 58.000 0.126 0.000 1.395 511 F CB -0.143 38.990 39.000 0.222 0.000 1.056 511 F HN 0.266 nan 8.300 nan 0.000 0.529 512 I N 0.211 120.898 120.570 0.195 0.000 2.270 512 I HA -0.219 3.945 4.170 -0.009 0.000 0.239 512 I C 2.319 178.417 176.117 -0.031 0.000 1.080 512 I CA 1.104 62.447 61.300 0.070 0.000 1.383 512 I CB -0.429 37.551 38.000 -0.034 0.000 1.097 512 I HN 0.068 nan 8.210 nan 0.000 0.420 513 I N -0.081 120.366 120.570 -0.206 0.000 2.676 513 I HA -0.222 3.942 4.170 -0.009 0.000 0.259 513 I C 2.489 178.159 176.117 -0.745 0.000 1.194 513 I CA 1.043 62.014 61.300 -0.549 0.000 1.473 513 I CB -0.748 36.784 38.000 -0.782 0.000 1.096 513 I HN 0.347 nan 8.210 nan 0.000 0.443 514 Q N 1.184 120.736 119.800 -0.412 0.000 2.226 514 Q HA -0.171 4.164 4.340 -0.009 0.000 0.204 514 Q C 1.704 177.467 176.000 -0.395 0.000 0.975 514 Q CA 1.677 57.260 55.803 -0.366 0.000 0.866 514 Q CB -0.702 27.791 28.738 -0.407 0.000 0.915 514 Q HN 0.564 nan 8.270 nan 0.000 0.440 515 F N 1.417 121.213 119.950 -0.256 0.000 2.293 515 F HA 0.011 4.533 4.527 -0.008 0.000 0.297 515 F C 2.456 178.201 175.800 -0.093 0.000 1.089 515 F CA 0.958 58.870 58.000 -0.147 0.000 1.377 515 F CB 0.007 38.916 39.000 -0.151 0.000 1.051 515 F HN 0.060 nan 8.300 nan 0.000 0.511 516 Q N -0.164 119.591 119.800 -0.075 0.000 2.050 516 Q HA -0.186 4.149 4.340 -0.009 0.000 0.202 516 Q C 2.185 178.132 176.000 -0.089 0.000 0.980 516 Q CA 1.899 57.623 55.803 -0.132 0.000 0.840 516 Q CB -0.549 28.009 28.738 -0.300 0.000 0.898 516 Q HN 0.436 nan 8.270 nan 0.000 0.424 517 F N -0.910 118.891 119.950 -0.248 0.000 2.134 517 F HA -0.254 4.267 4.527 -0.009 0.000 0.299 517 F C 2.316 178.069 175.800 -0.079 0.000 1.097 517 F CA 0.624 58.348 58.000 -0.460 0.000 1.264 517 F CB -0.248 38.299 39.000 -0.756 0.000 1.001 517 F HN 0.125 nan 8.300 nan 0.000 0.479 518 Y N 1.495 121.795 120.300 -0.001 0.000 2.133 518 Y HA -0.225 4.319 4.550 -0.009 0.000 0.287 518 Y C 2.514 178.449 175.900 0.059 0.000 1.134 518 Y CA 1.754 59.846 58.100 -0.014 0.000 1.133 518 Y CB -0.544 37.786 38.460 -0.216 0.000 0.987 518 Y HN -0.109 nan 8.280 nan 0.000 0.502 519 K N -0.550 119.907 120.400 0.095 0.000 2.032 519 K HA -0.188 4.127 4.320 -0.009 0.000 0.209 519 K C 2.236 178.896 176.600 0.099 0.000 1.048 519 K CA 1.964 58.274 56.287 0.039 0.000 0.927 519 K CB -0.325 32.247 32.500 0.120 0.000 0.712 519 K HN 0.295 nan 8.250 nan 0.000 0.441 520 S N 0.283 116.086 115.700 0.171 0.000 2.368 520 S HA -0.084 4.381 4.470 -0.009 0.000 0.224 520 S C 1.993 176.680 174.600 0.144 0.000 1.029 520 S CA 1.037 59.359 58.200 0.204 0.000 0.988 520 S CB -0.214 63.188 63.200 0.337 0.000 0.838 520 S HN 0.535 nan 8.310 nan 0.000 0.462 521 A N 0.550 123.487 122.820 0.195 0.000 1.902 521 A HA -0.162 4.153 4.320 -0.009 0.000 0.217 521 A C 2.392 179.981 177.584 0.008 0.000 1.181 521 A CA 1.610 53.713 52.037 0.110 0.000 0.623 521 A CB -1.266 17.886 19.000 0.253 0.000 0.818 521 A HN 0.623 nan 8.150 nan 0.000 0.443 522 c N -0.770 117.778 118.600 -0.087 0.000 2.429 522 c HA -0.046 4.519 4.570 -0.009 0.000 0.277 522 c C 2.554 176.661 174.090 0.027 0.000 1.262 522 c CA 0.844 57.109 56.329 -0.106 0.000 1.733 522 c CB -1.337 41.005 42.510 -0.280 0.000 2.010 522 c HN 0.628 nan 8.230 nan 0.000 0.483 523 I N 0.868 121.486 120.570 0.081 0.000 2.179 523 I HA -0.240 3.924 4.170 -0.009 0.000 0.242 523 I C 2.522 178.649 176.117 0.016 0.000 1.088 523 I CA 1.632 62.974 61.300 0.069 0.000 1.357 523 I CB -0.451 37.601 38.000 0.086 0.000 1.051 523 I HN 0.374 nan 8.210 nan 0.000 0.409 524 K N 0.762 121.163 120.400 0.002 0.000 2.103 524 K HA -0.127 4.188 4.320 -0.009 0.000 0.207 524 K C 1.949 178.536 176.600 -0.021 0.000 1.048 524 K CA 1.485 57.756 56.287 -0.027 0.000 0.930 524 K CB -0.223 32.237 32.500 -0.067 0.000 0.716 524 K HN 0.323 nan 8.250 nan 0.000 0.444 525 A N 0.353 123.168 122.820 -0.009 0.000 2.238 525 A HA 0.172 4.487 4.320 -0.009 0.000 0.208 525 A C 1.346 178.929 177.584 -0.001 0.000 1.177 525 A CA 0.737 52.771 52.037 -0.005 0.000 0.804 525 A CB -0.376 18.627 19.000 0.005 0.000 0.823 525 A HN 0.406 nan 8.150 nan 0.000 0.482 526 G N -1.172 107.628 108.800 -0.001 0.000 2.179 526 G HA2 -0.265 3.689 3.960 -0.009 0.000 0.257 526 G HA3 -0.265 3.689 3.960 -0.009 0.000 0.257 526 G C 0.653 175.560 174.900 0.011 0.000 1.010 526 G CA 0.607 45.705 45.100 -0.002 0.000 0.736 526 G HN 0.448 nan 8.290 nan 0.000 0.513 527 Q N -1.792 118.025 119.800 0.028 0.000 2.319 527 Q HA 0.220 4.554 4.340 -0.009 0.000 0.209 527 Q C -0.069 175.999 176.000 0.113 0.000 0.884 527 Q CA 0.242 56.074 55.803 0.047 0.000 0.938 527 Q CB 0.785 29.538 28.738 0.024 0.000 1.098 527 Q HN 0.742 nan 8.270 nan 0.000 0.517 528 Y N 0.727 120.997 120.300 -0.050 0.000 2.386 528 Y HA 0.399 4.944 4.550 -0.009 0.000 0.334 528 Y C -1.831 174.053 175.900 -0.027 0.000 1.002 528 Y CA -1.752 56.322 58.100 -0.044 0.000 1.068 528 Y CB 1.427 39.850 38.460 -0.063 0.000 1.203 528 Y HN -0.205 nan 8.280 nan 0.000 0.443 529 D N 8.380 128.469 120.400 -0.518 0.000 2.736 529 D HA 0.348 4.982 4.640 -0.009 0.000 0.243 529 D C -2.333 173.609 176.300 -0.596 0.000 1.304 529 D CA -2.189 51.479 54.000 -0.554 0.000 0.934 529 D CB 2.934 43.597 40.800 -0.228 0.000 1.382 529 D HN 0.341 nan 8.370 nan 0.000 0.571 530 P HA -0.016 nan 4.420 nan 0.000 0.225 530 P C 0.141 177.374 177.300 -0.113 0.000 1.148 530 P CA 0.742 63.666 63.100 -0.294 0.000 0.779 530 P CB 0.592 32.186 31.700 -0.177 0.000 0.780 531 D N -1.151 119.173 120.400 -0.127 0.000 2.402 531 D HA 0.059 4.694 4.640 -0.009 0.000 0.216 531 D C 0.131 176.399 176.300 -0.053 0.000 1.128 531 D CA 0.165 54.126 54.000 -0.065 0.000 0.833 531 D CB -0.056 40.709 40.800 -0.058 0.000 0.971 531 D HN 0.094 nan 8.370 nan 0.000 0.503 532 N N 1.265 119.927 118.700 -0.062 0.000 2.524 532 N HA 0.011 4.746 4.740 -0.009 0.000 0.261 532 N C 0.769 176.274 175.510 -0.009 0.000 0.998 532 N CA -0.362 52.666 53.050 -0.036 0.000 0.915 532 N CB 1.910 40.369 38.487 -0.047 0.000 1.187 532 N HN -0.262 nan 8.380 nan 0.000 0.507 533 V N 3.311 123.225 119.914 0.000 0.000 2.688 533 V HA -0.115 4.000 4.120 -0.009 0.000 0.256 533 V C 1.291 177.395 176.094 0.017 0.000 1.084 533 V CA 1.788 64.095 62.300 0.012 0.000 1.103 533 V CB -0.102 31.726 31.823 0.007 0.000 0.688 533 V HN 0.579 nan 8.190 nan 0.000 0.480 534 E N -0.072 120.135 120.200 0.013 0.000 2.442 534 E HA 0.129 4.474 4.350 -0.009 0.000 0.195 534 E C 0.688 177.306 176.600 0.030 0.000 1.030 534 E CA 0.332 56.742 56.400 0.018 0.000 0.869 534 E CB 0.163 29.869 29.700 0.010 0.000 0.857 534 E HN 0.545 nan 8.360 nan 0.000 0.505 535 L N 2.698 123.944 121.223 0.038 0.000 2.784 535 L HA 0.284 4.618 4.340 -0.009 0.000 0.241 535 L C -2.410 174.552 176.870 0.154 0.000 1.352 535 L CA -1.612 53.270 54.840 0.071 0.000 0.911 535 L CB 0.946 43.029 42.059 0.040 0.000 1.227 535 L HN -0.208 nan 8.230 nan 0.000 0.501 536 P HA 0.055 nan 4.420 nan 0.000 0.277 536 P C 0.740 178.075 177.300 0.059 0.000 1.240 536 P CA -0.556 62.617 63.100 0.121 0.000 0.798 536 P CB 2.032 33.744 31.700 0.020 0.000 0.979 537 L N 2.633 123.775 121.223 -0.134 0.000 2.083 537 L HA -0.154 4.181 4.340 -0.009 0.000 0.209 537 L C 1.647 178.388 176.870 -0.216 0.000 1.083 537 L CA 2.043 56.623 54.840 -0.433 0.000 0.752 537 L CB -1.352 40.210 42.059 -0.829 0.000 0.899 537 L HN 0.416 nan 8.230 nan 0.000 0.433 538 D N -2.291 117.859 120.400 -0.417 0.000 2.378 538 D HA -0.143 4.492 4.640 -0.009 0.000 0.227 538 D C 0.823 177.083 176.300 -0.066 0.000 1.012 538 D CA 0.390 54.134 54.000 -0.427 0.000 0.905 538 D CB -0.348 40.070 40.800 -0.637 0.000 0.895 538 D HN 0.357 nan 8.370 nan 0.000 0.532 539 N N -0.042 118.657 118.700 -0.002 0.000 2.241 539 N HA 0.029 4.763 4.740 -0.009 0.000 0.238 539 N C -0.911 174.654 175.510 0.091 0.000 1.244 539 N CA -0.496 52.587 53.050 0.055 0.000 0.880 539 N CB 0.331 38.843 38.487 0.042 0.000 1.179 539 N HN 0.182 nan 8.380 nan 0.000 0.513 540 c N 0.664 119.332 118.600 0.114 0.000 2.632 540 c HA 0.386 4.951 4.570 -0.009 0.000 0.415 540 c C -0.023 174.156 174.090 0.147 0.000 1.332 540 c CA -0.417 55.958 56.329 0.077 0.000 1.874 540 c CB -0.520 41.927 42.510 -0.105 0.000 2.596 540 c HN 0.372 nan 8.230 nan 0.000 0.590 541 D N 4.128 124.605 120.400 0.128 0.000 2.471 541 D HA 0.310 4.944 4.640 -0.009 0.000 0.245 541 D C 0.758 177.158 176.300 0.167 0.000 1.116 541 D CA -0.629 53.487 54.000 0.194 0.000 0.853 541 D CB 0.824 41.758 40.800 0.225 0.000 1.123 541 D HN 0.648 nan 8.370 nan 0.000 0.540 542 I N 1.241 121.938 120.570 0.212 0.000 3.735 542 I HA 0.240 4.405 4.170 -0.009 0.000 0.310 542 I C 0.395 176.571 176.117 0.099 0.000 1.270 542 I CA -0.556 60.840 61.300 0.159 0.000 1.207 542 I CB -0.469 37.636 38.000 0.175 0.000 1.013 542 I HN 0.204 nan 8.210 nan 0.000 0.452 543 Y N 3.387 123.600 120.300 -0.146 0.000 2.712 543 Y HA 0.277 4.821 4.550 -0.010 0.000 0.333 543 Y C 1.526 177.263 175.900 -0.273 0.000 1.225 543 Y CA 1.239 58.977 58.100 -0.603 0.000 1.499 543 Y CB 0.481 38.566 38.460 -0.625 0.000 1.288 543 Y HN 0.442 nan 8.280 nan 0.000 0.575 544 G N 3.238 111.514 108.800 -0.875 0.000 2.184 544 G HA2 -0.308 3.646 3.960 -0.009 0.000 0.264 544 G HA3 -0.308 3.646 3.960 -0.009 0.000 0.264 544 G C 0.203 174.959 174.900 -0.239 0.000 0.975 544 G CA 0.377 45.163 45.100 -0.523 0.000 0.642 544 G HN 0.945 nan 8.290 nan 0.000 0.536 545 S N 0.395 115.990 115.700 -0.174 0.000 2.399 545 S HA 0.685 5.150 4.470 -0.009 0.000 0.301 545 S C 1.614 176.176 174.600 -0.063 0.000 1.093 545 S CA 0.648 58.801 58.200 -0.079 0.000 1.077 545 S CB 0.823 64.008 63.200 -0.024 0.000 0.980 545 S HN 1.434 nan 8.310 nan 0.000 0.494 546 A N 5.312 128.094 122.820 -0.064 0.000 1.969 546 A HA 0.150 4.464 4.320 -0.009 0.000 0.218 546 A C 2.315 179.881 177.584 -0.030 0.000 1.169 546 A CA 1.555 53.563 52.037 -0.048 0.000 0.635 546 A CB -1.037 17.932 19.000 -0.052 0.000 0.810 546 A HN 1.072 nan 8.150 nan 0.000 0.445 547 A N 0.062 122.862 122.820 -0.034 0.000 1.877 547 A HA 0.154 4.469 4.320 -0.009 0.000 0.216 547 A C 2.520 180.073 177.584 -0.053 0.000 1.186 547 A CA 2.083 54.094 52.037 -0.043 0.000 0.620 547 A CB -1.075 17.899 19.000 -0.044 0.000 0.822 547 A HN 1.042 nan 8.150 nan 0.000 0.443 548 A N -0.497 122.315 122.820 -0.013 0.000 1.902 548 A HA 0.096 4.411 4.320 -0.009 0.000 0.217 548 A C 2.417 180.094 177.584 0.155 0.000 1.181 548 A CA 1.993 54.054 52.037 0.041 0.000 0.623 548 A CB -1.416 17.662 19.000 0.131 0.000 0.818 548 A HN 0.768 nan 8.150 nan 0.000 0.443 549 G N -0.585 108.295 108.800 0.134 0.000 2.422 549 G HA2 0.008 3.963 3.960 -0.009 0.000 0.218 549 G HA3 0.008 3.963 3.960 -0.009 0.000 0.218 549 G C 1.723 176.712 174.900 0.149 0.000 1.146 549 G CA 1.428 46.629 45.100 0.168 0.000 0.769 549 G HN 0.796 nan 8.290 nan 0.000 0.547 550 A N 1.310 124.157 122.820 0.046 0.000 1.883 550 A HA 0.210 4.524 4.320 -0.009 0.000 0.217 550 A C 2.843 180.413 177.584 -0.024 0.000 1.186 550 A CA 2.372 54.428 52.037 0.032 0.000 0.624 550 A CB -0.885 18.104 19.000 -0.018 0.000 0.822 550 A HN 0.815 nan 8.150 nan 0.000 0.444 551 A N -1.228 121.458 122.820 -0.223 0.000 1.908 551 A HA -0.039 4.275 4.320 -0.009 0.000 0.218 551 A C 1.973 179.301 177.584 -0.427 0.000 1.181 551 A CA 1.620 53.300 52.037 -0.595 0.000 0.627 551 A CB -0.767 17.436 19.000 -1.329 0.000 0.818 551 A HN 0.460 nan 8.150 nan 0.000 0.445 552 F N -0.720 119.158 119.950 -0.120 0.000 2.102 552 F HA -0.159 4.364 4.527 -0.007 0.000 0.298 552 F C 2.346 178.162 175.800 0.028 0.000 1.105 552 F CA 1.988 60.035 58.000 0.079 0.000 1.239 552 F CB -0.797 38.246 39.000 0.073 0.000 0.991 552 F HN 0.528 nan 8.300 nan 0.000 0.474 553 H N 0.276 119.437 119.070 0.152 0.000 2.319 553 H HA -0.158 4.392 4.556 -0.009 0.000 0.299 553 H C 2.052 177.421 175.328 0.068 0.000 1.092 553 H CA 2.206 58.304 56.048 0.083 0.000 1.302 553 H CB -0.468 29.321 29.762 0.046 0.000 1.373 553 H HN 0.017 nan 8.280 nan 0.000 0.497 554 N N -0.083 118.559 118.700 -0.096 0.000 2.149 554 N HA -0.176 4.559 4.740 -0.009 0.000 0.188 554 N C 2.118 177.590 175.510 -0.063 0.000 1.019 554 N CA 1.653 54.624 53.050 -0.130 0.000 0.857 554 N CB -0.358 38.094 38.487 -0.059 0.000 0.997 554 N HN 0.539 nan 8.380 nan 0.000 0.426 555 M N 0.001 119.608 119.600 0.012 0.000 2.191 555 M HA 0.048 4.523 4.480 -0.009 0.000 0.262 555 M C 1.638 177.982 176.300 0.073 0.000 1.083 555 M CA 0.957 56.305 55.300 0.081 0.000 1.154 555 M CB 0.070 32.753 32.600 0.138 0.000 1.344 555 M HN -0.020 nan 8.290 nan 0.000 0.431 556 L N 0.251 121.477 121.223 0.004 0.000 2.141 556 L HA -0.136 4.199 4.340 -0.009 0.000 0.209 556 L C 2.631 179.654 176.870 0.255 0.000 1.094 556 L CA 1.415 56.255 54.840 -0.001 0.000 0.763 556 L CB -0.964 40.960 42.059 -0.226 0.000 0.908 556 L HN 0.490 nan 8.230 nan 0.000 0.437 557 S N -0.570 115.199 115.700 0.115 0.000 2.447 557 S HA -0.144 4.320 4.470 -0.009 0.000 0.233 557 S C 1.890 176.628 174.600 0.230 0.000 1.006 557 S CA 0.830 59.152 58.200 0.203 0.000 0.957 557 S CB -0.334 62.841 63.200 -0.042 0.000 0.773 557 S HN 0.371 nan 8.310 nan 0.000 0.507 558 M N 1.431 121.116 119.600 0.142 0.000 2.296 558 M HA 0.143 4.618 4.480 -0.009 0.000 0.265 558 M C 1.982 178.297 176.300 0.025 0.000 1.064 558 M CA 0.753 56.089 55.300 0.060 0.000 1.109 558 M CB -1.115 31.498 32.600 0.023 0.000 1.396 558 M HN 0.616 nan 8.290 nan 0.000 0.430 559 G N 0.820 109.734 108.800 0.191 0.000 2.651 559 G HA2 -0.366 3.589 3.960 -0.009 0.000 0.315 559 G HA3 -0.366 3.589 3.960 -0.009 0.000 0.315 559 G C 0.445 175.261 174.900 -0.140 0.000 1.258 559 G CA 0.362 45.475 45.100 0.021 0.000 1.002 559 G HN 0.648 nan 8.290 nan 0.000 0.551 560 A N -0.072 122.583 122.820 -0.276 0.000 2.545 560 A HA 0.632 4.947 4.320 -0.009 0.000 0.277 560 A C 2.059 179.321 177.584 -0.537 0.000 1.301 560 A CA 1.395 53.267 52.037 -0.275 0.000 0.935 560 A CB -0.286 18.599 19.000 -0.192 0.000 1.093 560 A HN 1.944 nan 8.150 nan 0.000 0.519 561 S N -0.212 115.003 115.700 -0.808 0.000 2.442 561 S HA 0.031 4.495 4.470 -0.009 0.000 0.236 561 S C 0.819 174.973 174.600 -0.744 0.000 1.007 561 S CA 0.695 58.027 58.200 -1.447 0.000 0.965 561 S CB 0.041 62.743 63.200 -0.830 0.000 0.773 561 S HN 0.339 nan 8.310 nan 0.000 0.504 562 K N 1.156 121.313 120.400 -0.406 0.000 2.477 562 K HA 0.530 4.844 4.320 -0.009 0.000 0.255 562 K C -3.324 173.170 176.600 -0.176 0.000 0.952 562 K CA -2.451 53.699 56.287 -0.230 0.000 0.826 562 K CB 1.331 33.739 32.500 -0.155 0.000 1.331 562 K HN -0.070 nan 8.250 nan 0.000 0.437 563 P HA -0.041 nan 4.420 nan 0.000 0.266 563 P C 1.077 178.266 177.300 -0.185 0.000 1.195 563 P CA -0.108 62.898 63.100 -0.157 0.000 0.768 563 P CB 0.203 31.789 31.700 -0.190 0.000 0.838 564 W N 3.902 125.105 121.300 -0.161 0.000 2.331 564 W HA -0.095 4.560 4.660 -0.009 0.000 0.291 564 W C -1.731 174.773 176.519 -0.026 0.000 1.214 564 W CA 1.154 58.341 57.345 -0.263 0.000 1.228 564 W CB -2.979 26.248 29.460 -0.389 0.000 1.135 564 W HN 0.317 nan 8.180 nan 0.000 0.537 565 P HA -0.128 nan 4.420 nan 0.000 0.220 565 P C 1.187 178.457 177.300 -0.049 0.000 1.148 565 P CA 2.117 64.996 63.100 -0.367 0.000 0.803 565 P CB -0.187 31.148 31.700 -0.608 0.000 0.782 566 D N -0.795 119.558 120.400 -0.078 0.000 2.183 566 D HA -0.061 4.574 4.640 -0.009 0.000 0.203 566 D C 1.954 178.296 176.300 0.069 0.000 0.969 566 D CA 1.238 55.231 54.000 -0.011 0.000 0.842 566 D CB -0.507 40.261 40.800 -0.053 0.000 0.957 566 D HN 0.085 nan 8.370 nan 0.000 0.484 567 A N 0.716 123.598 122.820 0.103 0.000 1.929 567 A HA -0.081 4.234 4.320 -0.009 0.000 0.216 567 A C 2.101 179.927 177.584 0.402 0.000 1.176 567 A CA 0.639 52.793 52.037 0.194 0.000 0.628 567 A CB -0.542 18.511 19.000 0.089 0.000 0.816 567 A HN 0.213 nan 8.150 nan 0.000 0.444 568 L N 0.255 121.811 121.223 0.554 0.000 2.046 568 L HA -0.128 4.207 4.340 -0.009 0.000 0.208 568 L C 2.167 179.265 176.870 0.379 0.000 1.077 568 L CA 2.611 57.805 54.840 0.590 0.000 0.747 568 L CB -0.685 41.755 42.059 0.635 0.000 0.896 568 L HN 0.590 nan 8.230 nan 0.000 0.432 569 E N -0.713 119.639 120.200 0.252 0.000 2.110 569 E HA -0.234 4.111 4.350 -0.009 0.000 0.193 569 E C 2.095 178.784 176.600 0.148 0.000 0.988 569 E CA 1.099 57.598 56.400 0.165 0.000 0.804 569 E CB -0.158 29.599 29.700 0.095 0.000 0.745 569 E HN 0.627 nan 8.360 nan 0.000 0.458 570 A N 0.119 123.029 122.820 0.150 0.000 1.972 570 A HA -0.163 4.151 4.320 -0.009 0.000 0.219 570 A C 1.900 179.544 177.584 0.100 0.000 1.169 570 A CA 1.025 53.123 52.037 0.102 0.000 0.635 570 A CB -0.651 18.401 19.000 0.086 0.000 0.810 570 A HN 0.463 nan 8.150 nan 0.000 0.446 571 F N 1.324 121.289 119.950 0.026 0.000 2.118 571 F HA -0.077 4.445 4.527 -0.010 0.000 0.293 571 F C 1.656 177.452 175.800 -0.007 0.000 1.102 571 F CA 1.832 59.806 58.000 -0.044 0.000 1.247 571 F CB 0.175 39.125 39.000 -0.083 0.000 1.017 571 F HN 0.474 nan 8.300 nan 0.000 0.475 572 N N -1.402 117.472 118.700 0.290 0.000 2.142 572 N HA 0.196 4.930 4.740 -0.009 0.000 0.233 572 N C 0.865 176.459 175.510 0.141 0.000 1.335 572 N CA 0.616 53.785 53.050 0.200 0.000 0.837 572 N CB 0.416 39.106 38.487 0.338 0.000 1.238 572 N HN 0.330 nan 8.380 nan 0.000 0.501 573 G N -0.090 108.788 108.800 0.130 0.000 2.179 573 G HA2 -0.294 3.660 3.960 -0.009 0.000 0.260 573 G HA3 -0.294 3.660 3.960 -0.009 0.000 0.260 573 G C -0.431 174.532 174.900 0.104 0.000 0.977 573 G CA 0.470 45.627 45.100 0.096 0.000 0.641 573 G HN 0.514 nan 8.290 nan 0.000 0.533 574 E N -0.899 119.386 120.200 0.141 0.000 2.227 574 E HA 0.685 5.030 4.350 -0.009 0.000 0.268 574 E C 0.876 177.566 176.600 0.150 0.000 0.990 574 E CA -0.902 55.578 56.400 0.133 0.000 0.856 574 E CB 0.991 30.775 29.700 0.140 0.000 1.159 574 E HN 0.265 nan 8.360 nan 0.000 0.401 575 R N 0.748 121.320 120.500 0.120 0.000 2.531 575 R HA 0.339 4.674 4.340 -0.009 0.000 0.316 575 R C -0.133 176.232 176.300 0.108 0.000 0.955 575 R CA -0.039 56.112 56.100 0.084 0.000 1.120 575 R CB 0.565 30.870 30.300 0.008 0.000 1.361 575 R HN 0.405 nan 8.270 nan 0.000 0.534 576 I N 1.373 122.055 120.570 0.186 0.000 2.436 576 I HA 0.275 4.440 4.170 -0.009 0.000 0.289 576 I C -0.177 176.115 176.117 0.290 0.000 1.010 576 I CA -0.867 60.572 61.300 0.231 0.000 1.098 576 I CB 2.108 40.192 38.000 0.140 0.000 1.266 576 I HN -0.054 nan 8.210 nan 0.000 0.434 577 M N 6.010 125.856 119.600 0.410 0.000 2.268 577 M HA 0.177 4.652 4.480 -0.009 0.000 0.349 577 M C -0.311 176.039 176.300 0.084 0.000 1.485 577 M CA 0.879 56.298 55.300 0.198 0.000 1.094 577 M CB 0.401 33.080 32.600 0.131 0.000 1.843 577 M HN 0.652 nan 8.290 nan 0.000 0.460 578 S N 2.823 118.538 115.700 0.025 0.000 2.540 578 S HA 0.646 5.111 4.470 -0.009 0.000 0.275 578 S C 0.483 175.079 174.600 -0.007 0.000 1.123 578 S CA -0.376 57.835 58.200 0.019 0.000 0.907 578 S CB 1.657 64.881 63.200 0.041 0.000 1.081 578 S HN 0.885 nan 8.310 nan 0.000 0.476 579 G N 2.650 111.447 108.800 -0.005 0.000 2.985 579 G HA2 0.034 3.988 3.960 -0.009 0.000 0.209 579 G HA3 0.034 3.988 3.960 -0.009 0.000 0.209 579 G C 1.069 175.969 174.900 0.001 0.000 1.165 579 G CA 0.129 45.222 45.100 -0.012 0.000 0.776 579 G HN 0.735 nan 8.290 nan 0.000 0.541 580 K N 0.657 121.069 120.400 0.020 0.000 2.032 580 K HA -0.041 4.273 4.320 -0.009 0.000 0.209 580 K C 2.678 179.305 176.600 0.045 0.000 1.048 580 K CA 1.392 57.701 56.287 0.037 0.000 0.927 580 K CB -0.235 32.295 32.500 0.049 0.000 0.712 580 K HN 0.170 nan 8.250 nan 0.000 0.441 581 A N 1.503 124.354 122.820 0.051 0.000 1.873 581 A HA -0.142 4.173 4.320 -0.009 0.000 0.215 581 A C 2.159 179.773 177.584 0.050 0.000 1.186 581 A CA 1.447 53.536 52.037 0.087 0.000 0.616 581 A CB -0.597 18.474 19.000 0.118 0.000 0.823 581 A HN 0.514 nan 8.150 nan 0.000 0.442 582 I N -0.533 119.994 120.570 -0.072 0.000 2.226 582 I HA -0.237 3.928 4.170 -0.009 0.000 0.245 582 I C 2.647 178.705 176.117 -0.099 0.000 1.100 582 I CA 1.318 62.374 61.300 -0.408 0.000 1.374 582 I CB -0.154 37.515 38.000 -0.552 0.000 1.057 582 I HN 0.337 nan 8.210 nan 0.000 0.413 583 A N 0.090 122.909 122.820 -0.003 0.000 1.933 583 A HA -0.295 4.020 4.320 -0.009 0.000 0.218 583 A C 2.259 179.901 177.584 0.097 0.000 1.175 583 A CA 1.982 54.061 52.037 0.070 0.000 0.628 583 A CB -0.724 18.302 19.000 0.043 0.000 0.814 583 A HN 0.624 nan 8.150 nan 0.000 0.444 584 E N -1.571 118.673 120.200 0.073 0.000 2.077 584 E HA -0.247 4.098 4.350 -0.009 0.000 0.193 584 E C 1.822 178.447 176.600 0.041 0.000 0.989 584 E CA 1.418 57.863 56.400 0.075 0.000 0.800 584 E CB -0.342 29.413 29.700 0.092 0.000 0.746 584 E HN 0.722 nan 8.360 nan 0.000 0.452 585 Y N -0.553 119.658 120.300 -0.148 0.000 2.165 585 Y HA -0.230 4.315 4.550 -0.009 0.000 0.286 585 Y C 1.380 177.048 175.900 -0.387 0.000 1.155 585 Y CA 1.821 59.730 58.100 -0.319 0.000 1.164 585 Y CB -0.034 38.142 38.460 -0.472 0.000 0.978 585 Y HN 0.066 nan 8.280 nan 0.000 0.513 586 F N -0.196 119.857 119.950 0.172 0.000 2.727 586 F HA 0.124 4.645 4.527 -0.009 0.000 0.302 586 F C 1.962 177.809 175.800 0.078 0.000 1.097 586 F CA 0.444 58.522 58.000 0.130 0.000 1.330 586 F CB -0.281 38.771 39.000 0.087 0.000 1.084 586 F HN 0.042 nan 8.300 nan 0.000 0.578 587 E N 1.833 122.139 120.200 0.176 0.000 2.097 587 E HA -0.191 4.154 4.350 -0.009 0.000 0.196 587 E C -0.725 175.956 176.600 0.135 0.000 1.000 587 E CA 1.828 58.309 56.400 0.135 0.000 0.804 587 E CB -1.208 28.548 29.700 0.094 0.000 0.740 587 E HN 0.163 nan 8.360 nan 0.000 0.454 588 P HA -0.111 nan 4.420 nan 0.000 0.217 588 P C 1.437 178.855 177.300 0.196 0.000 1.150 588 P CA 0.873 64.045 63.100 0.120 0.000 0.832 588 P CB -0.067 31.668 31.700 0.059 0.000 0.787 589 L N -0.267 121.097 121.223 0.234 0.000 2.056 589 L HA -0.060 4.274 4.340 -0.009 0.000 0.207 589 L C 2.540 179.605 176.870 0.325 0.000 1.078 589 L CA 1.730 56.763 54.840 0.322 0.000 0.749 589 L CB -0.827 41.464 42.059 0.387 0.000 0.901 589 L HN -0.245 nan 8.230 nan 0.000 0.433 590 R N -0.858 119.790 120.500 0.246 0.000 2.083 590 R HA -0.161 4.174 4.340 -0.009 0.000 0.237 590 R C 2.060 178.449 176.300 0.148 0.000 1.137 590 R CA 2.165 58.369 56.100 0.175 0.000 0.951 590 R CB -0.419 29.961 30.300 0.133 0.000 0.851 590 R HN 0.358 nan 8.270 nan 0.000 0.434 591 V N -0.207 119.801 119.914 0.157 0.000 2.295 591 V HA -0.265 3.849 4.120 -0.009 0.000 0.246 591 V C 1.948 178.126 176.094 0.140 0.000 1.049 591 V CA 2.078 64.453 62.300 0.125 0.000 1.024 591 V CB -0.720 31.177 31.823 0.125 0.000 0.648 591 V HN 0.570 nan 8.190 nan 0.000 0.447 592 W N 0.163 121.490 121.300 0.044 0.000 2.358 592 W HA -0.183 4.472 4.660 -0.008 0.000 0.303 592 W C 2.146 178.654 176.519 -0.017 0.000 1.208 592 W CA 1.718 59.082 57.345 0.032 0.000 1.274 592 W CB -0.228 29.271 29.460 0.065 0.000 1.138 592 W HN 0.201 nan 8.180 nan 0.000 0.515 593 L N 1.160 122.460 121.223 0.128 0.000 2.072 593 L HA -0.087 4.247 4.340 -0.009 0.000 0.205 593 L C 2.236 178.975 176.870 -0.218 0.000 1.079 593 L CA 2.132 56.907 54.840 -0.109 0.000 0.752 593 L CB -1.123 41.047 42.059 0.185 0.000 0.906 593 L HN 0.049 nan 8.230 nan 0.000 0.436 594 E N -0.555 119.586 120.200 -0.098 0.000 2.085 594 E HA -0.240 4.104 4.350 -0.009 0.000 0.194 594 E C 2.120 178.620 176.600 -0.168 0.000 0.994 594 E CA 1.216 57.559 56.400 -0.096 0.000 0.801 594 E CB -0.242 29.433 29.700 -0.041 0.000 0.743 594 E HN 0.641 nan 8.360 nan 0.000 0.453 595 A N 1.064 123.749 122.820 -0.226 0.000 1.897 595 A HA -0.198 4.117 4.320 -0.009 0.000 0.215 595 A C 2.029 179.393 177.584 -0.366 0.000 1.181 595 A CA 1.518 53.403 52.037 -0.253 0.000 0.620 595 A CB -0.297 18.567 19.000 -0.228 0.000 0.821 595 A HN 0.118 nan 8.150 nan 0.000 0.443 596 E N 0.647 120.469 120.200 -0.629 0.000 2.106 596 E HA -0.150 4.195 4.350 -0.009 0.000 0.192 596 E C 1.748 178.113 176.600 -0.393 0.000 0.984 596 E CA 1.499 57.484 56.400 -0.692 0.000 0.806 596 E CB -0.211 28.665 29.700 -1.373 0.000 0.750 596 E HN 0.536 nan 8.360 nan 0.000 0.458 597 N N 0.002 118.516 118.700 -0.309 0.000 2.188 597 N HA -0.095 4.639 4.740 -0.009 0.000 0.184 597 N C 1.837 177.241 175.510 -0.176 0.000 1.018 597 N CA 1.098 54.038 53.050 -0.183 0.000 0.858 597 N CB -0.153 38.278 38.487 -0.094 0.000 0.989 597 N HN 0.281 nan 8.380 nan 0.000 0.426 598 I N 1.154 121.625 120.570 -0.165 0.000 2.202 598 I HA -0.227 3.938 4.170 -0.009 0.000 0.242 598 I C 2.429 178.467 176.117 -0.132 0.000 1.091 598 I CA 0.968 62.191 61.300 -0.128 0.000 1.368 598 I CB -0.160 37.776 38.000 -0.107 0.000 1.058 598 I HN 0.112 nan 8.210 nan 0.000 0.410 599 K N 0.955 121.261 120.400 -0.157 0.000 2.103 599 K HA -0.189 4.126 4.320 -0.009 0.000 0.207 599 K C 1.348 177.867 176.600 -0.134 0.000 1.048 599 K CA 1.557 57.764 56.287 -0.133 0.000 0.930 599 K CB -0.035 32.377 32.500 -0.145 0.000 0.716 599 K HN 0.351 nan 8.250 nan 0.000 0.444 600 N N 1.162 119.743 118.700 -0.199 0.000 2.268 600 N HA -0.064 4.671 4.740 -0.009 0.000 0.204 600 N C -0.395 174.952 175.510 -0.271 0.000 1.124 600 N CA 0.096 52.985 53.050 -0.269 0.000 0.838 600 N CB 0.208 38.401 38.487 -0.491 0.000 0.994 600 N HN 0.219 nan 8.380 nan 0.000 0.489 601 N N 0.822 119.416 118.700 -0.176 0.000 2.725 601 N HA -0.171 4.564 4.740 -0.009 0.000 0.251 601 N C -1.115 174.323 175.510 -0.119 0.000 1.031 601 N CA 0.199 53.181 53.050 -0.115 0.000 0.720 601 N CB -1.434 37.012 38.487 -0.068 0.000 0.930 601 N HN -0.083 nan 8.380 nan 0.000 0.543 602 V N 1.853 121.666 119.914 -0.169 0.000 2.470 602 V HA 0.054 4.169 4.120 -0.009 0.000 0.276 602 V C 0.975 177.073 176.094 0.008 0.000 1.040 602 V CA -0.401 61.816 62.300 -0.137 0.000 1.008 602 V CB 0.677 32.391 31.823 -0.181 0.000 0.990 602 V HN 0.468 nan 8.190 nan 0.000 0.477 603 H N 5.941 125.011 119.070 0.000 0.000 2.886 603 H HA 0.314 4.865 4.556 -0.009 0.000 0.329 603 H C -0.413 174.970 175.328 0.091 0.000 1.044 603 H CA -0.122 55.951 56.048 0.040 0.000 1.456 603 H CB 0.396 30.193 29.762 0.059 0.000 1.464 603 H HN 0.422 nan 8.280 nan 0.000 0.573 604 I N 4.605 124.923 120.570 -0.420 0.000 2.441 604 I HA 0.467 4.632 4.170 -0.009 0.000 0.295 604 I C 0.990 176.905 176.117 -0.336 0.000 0.994 604 I CA 0.253 61.430 61.300 -0.205 0.000 1.144 604 I CB 0.825 38.745 38.000 -0.133 0.000 1.314 604 I HN 0.972 nan 8.210 nan 0.000 0.445 605 G N 5.320 114.077 108.800 -0.071 0.000 2.661 605 G HA2 -0.050 3.905 3.960 -0.009 0.000 0.685 605 G HA3 -0.050 3.905 3.960 -0.009 0.000 0.685 605 G C -1.643 173.354 174.900 0.161 0.000 1.298 605 G CA -0.487 44.466 45.100 -0.245 0.000 0.855 605 G HN 0.945 nan 8.290 nan 0.000 0.560 606 W N -1.028 120.301 121.300 0.049 0.000 3.217 606 W HA 0.741 5.395 4.660 -0.009 0.000 0.323 606 W C 0.417 176.981 176.519 0.074 0.000 1.216 606 W CA -0.798 56.611 57.345 0.107 0.000 1.194 606 W CB 0.489 30.007 29.460 0.096 0.000 1.397 606 W HN 1.192 nan 8.180 nan 0.000 0.537 607 T N -0.711 114.009 114.554 0.277 0.000 2.813 607 T HA 0.364 4.708 4.350 -0.009 0.000 0.297 607 T C 0.328 175.166 174.700 0.230 0.000 1.036 607 T CA -0.256 61.944 62.100 0.165 0.000 1.044 607 T CB 0.736 69.671 68.868 0.112 0.000 0.993 607 T HN 0.559 nan 8.240 nan 0.000 0.535 608 T N 2.720 117.363 114.554 0.147 0.000 2.916 608 T HA 0.223 4.567 4.350 -0.009 0.000 0.303 608 T C 0.704 175.477 174.700 0.122 0.000 1.025 608 T CA -0.247 61.945 62.100 0.152 0.000 1.142 608 T CB 0.657 69.582 68.868 0.095 0.000 0.947 608 T HN 0.823 nan 8.240 nan 0.000 0.544 609 S N 2.269 118.040 115.700 0.119 0.000 2.568 609 S HA 0.048 4.512 4.470 -0.009 0.000 0.282 609 S C 1.000 175.615 174.600 0.025 0.000 1.338 609 S CA -0.602 57.629 58.200 0.051 0.000 1.045 609 S CB 0.128 63.342 63.200 0.023 0.000 0.873 609 S HN 0.642 nan 8.310 nan 0.000 0.516 610 N N 2.580 121.272 118.700 -0.013 0.000 2.234 610 N HA 0.142 4.876 4.740 -0.009 0.000 0.227 610 N C 0.071 175.548 175.510 -0.054 0.000 1.151 610 N CA -0.247 52.791 53.050 -0.019 0.000 0.865 610 N CB 0.522 38.998 38.487 -0.019 0.000 1.066 610 N HN 0.469 nan 8.380 nan 0.000 0.515 611 K N 0.177 120.519 120.400 -0.097 0.000 2.444 611 K HA 0.134 4.449 4.320 -0.009 0.000 0.193 611 K C 0.058 176.563 176.600 -0.158 0.000 1.024 611 K CA -0.006 56.174 56.287 -0.178 0.000 1.077 611 K CB -0.048 32.264 32.500 -0.313 0.000 0.833 611 K HN 0.034 nan 8.250 nan 0.000 0.517 612 c N 1.545 120.119 118.600 -0.044 0.000 2.407 612 c HA 0.382 4.947 4.570 -0.009 0.000 0.328 612 c C -0.235 173.899 174.090 0.073 0.000 1.137 612 c CA -0.756 55.600 56.329 0.045 0.000 1.390 612 c CB 0.060 42.674 42.510 0.172 0.000 1.989 612 c HN 0.015 nan 8.230 nan 0.000 0.432 613 V N 6.609 126.561 119.914 0.064 0.000 2.461 613 V HA 0.349 4.463 4.120 -0.009 0.000 0.275 613 V C 0.739 176.885 176.094 0.088 0.000 1.047 613 V CA 0.393 62.730 62.300 0.062 0.000 0.955 613 V CB 1.675 33.523 31.823 0.041 0.000 0.988 613 V HN 1.005 nan 8.190 nan 0.000 0.471 614 S N 0.000 115.750 115.700 0.083 0.000 2.498 614 S HA 0.000 4.465 4.470 -0.009 0.000 0.327 614 S CA 0.000 58.254 58.200 0.091 0.000 1.107 614 S CB 0.000 63.254 63.200 0.090 0.000 0.593 614 S HN 0.000 nan 8.310 nan 0.000 0.517