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 1yvl_1_A DATA FIRST_RESID 2 DATA SEQUENCE SQWYELQQLD SKFLEQVHQL YDDSFPMEIR QYLAQWLEKQ DWEHAANDVS DATA SEQUENCE FATIRFHDLL SQLDDQYSRF SLENNFLLQH NIRKSKRNLQ DNFQEDPIQM DATA SEQUENCE SMIIYSCLKE ERKILENAQR FNQAQXXXXX XTVMLDKQKE LDSKVRNVKD DATA SEQUENCE KVMCIEHEIK SLEDLQDEYD FKCKTLQNRE XXXXXXAKSD QKQEQLLLKK DATA SEQUENCE MYLMLDNKRK EVVHKIIELL NVTELTQNAL INDELVEWKR RQQSACIGGP DATA SEQUENCE PNACLDQLQN WFTIVAESLQ QVRQQLKKLE ELEQKYTYEH DPITKNKQVL DATA SEQUENCE WDRTFSLFQQ LIQSSFVVER QPCMPTHPQR PLVLKTGVQF TVKLRLLVKL DATA SEQUENCE QELNYNLKVK VLFDKDVNER NTVKGFRKFN ILGTHTKVMN MEESTNGSLA DATA SEQUENCE AEFRHLQLKE QKNXXXXXXX XXXIVTEELH SLSFETQLCQ PGLVIDLETT DATA SEQUENCE SLPVVVISNV SQLPSGWASI LWYNMLVAEP RNLSFFLTPP CARWAQLSEV DATA SEQUENCE LSWQFSSVTK RGLNVDQLNM LGEKLLGPNA SPDGLIPWTR FCKXXXXXKN DATA SEQUENCE FPFWLWIESI LELIKKHLLP LWNDGCIMGF ISKERERALL KDQQPGTFLL DATA SEQUENCE RFSESSREGA ITFTWVERSQ XXXEPDFHAV EPYTKKELSA VTFPDIIRNY DATA SEQUENCE KVMAAENIPE NPLKYLYPNI DKDHAFGKYY SR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.727 174.600 0.211 0.000 1.055 2 S CA 0.000 58.300 58.200 0.166 0.000 1.107 2 S CB 0.000 63.334 63.200 0.224 0.000 0.593 3 Q N 0.107 120.026 119.800 0.198 0.000 2.170 3 Q HA -0.095 4.245 4.340 -0.000 0.000 0.203 3 Q C 1.427 177.593 176.000 0.276 0.000 0.976 3 Q CA 1.656 57.573 55.803 0.190 0.000 0.858 3 Q CB -0.099 28.737 28.738 0.162 0.000 0.907 3 Q HN 0.789 nan 8.270 nan 0.000 0.433 4 W N 0.087 121.438 121.300 0.085 0.000 2.333 4 W HA -0.312 4.348 4.660 -0.000 0.000 0.316 4 W C 1.819 178.382 176.519 0.074 0.000 1.215 4 W CA 1.435 58.817 57.345 0.063 0.000 1.278 4 W CB -0.459 29.041 29.460 0.066 0.000 1.154 4 W HN 0.287 nan 8.180 nan 0.000 0.486 5 Y N 1.461 121.822 120.300 0.102 0.000 2.014 5 Y HA -0.363 4.187 4.550 -0.000 0.000 0.270 5 Y C 2.539 178.380 175.900 -0.097 0.000 1.145 5 Y CA 2.916 60.994 58.100 -0.035 0.000 1.106 5 Y CB -1.085 37.395 38.460 0.034 0.000 0.968 5 Y HN -0.000 nan 8.280 nan 0.000 0.484 6 E N -0.115 120.196 120.200 0.186 0.000 2.236 6 E HA -0.300 4.050 4.350 -0.000 0.000 0.205 6 E C 2.129 178.655 176.600 -0.122 0.000 1.028 6 E CA 1.785 58.212 56.400 0.044 0.000 0.827 6 E CB -0.396 29.346 29.700 0.070 0.000 0.735 6 E HN 0.550 nan 8.360 nan 0.000 0.470 7 L N 0.047 121.171 121.223 -0.165 0.000 2.095 7 L HA -0.162 4.178 4.340 -0.000 0.000 0.204 7 L C 2.130 178.809 176.870 -0.319 0.000 1.080 7 L CA 0.904 55.607 54.840 -0.228 0.000 0.759 7 L CB -0.205 41.704 42.059 -0.250 0.000 0.914 7 L HN 0.111 nan 8.230 nan 0.000 0.439 8 Q N 0.010 119.528 119.800 -0.470 0.000 2.541 8 Q HA -0.129 4.211 4.340 -0.000 0.000 0.215 8 Q C 0.503 176.292 176.000 -0.351 0.000 0.977 8 Q CA 0.469 55.999 55.803 -0.455 0.000 0.934 8 Q CB 0.062 28.468 28.738 -0.552 0.000 0.988 8 Q HN 0.473 nan 8.270 nan 0.000 0.521 9 Q N 0.162 119.774 119.800 -0.313 0.000 2.186 9 Q HA 0.289 4.629 4.340 -0.000 0.000 0.241 9 Q C -0.114 175.815 176.000 -0.118 0.000 0.849 9 Q CA 0.152 55.818 55.803 -0.227 0.000 1.053 9 Q CB 0.607 29.198 28.738 -0.244 0.000 1.146 9 Q HN 0.321 nan 8.270 nan 0.000 0.475 10 L N -0.002 121.177 121.223 -0.073 0.000 2.304 10 L HA 0.438 4.778 4.340 -0.000 0.000 0.268 10 L C 0.172 177.163 176.870 0.202 0.000 1.010 10 L CA -1.123 53.737 54.840 0.034 0.000 0.813 10 L CB 1.101 43.151 42.059 -0.016 0.000 1.315 10 L HN -0.063 nan 8.230 nan 0.000 0.445 11 D N 0.160 120.818 120.400 0.430 0.000 2.424 11 D HA -0.050 4.590 4.640 -0.000 0.000 0.244 11 D C 1.017 177.471 176.300 0.257 0.000 1.134 11 D CA 0.226 54.435 54.000 0.349 0.000 0.881 11 D CB 1.495 42.541 40.800 0.410 0.000 1.191 11 D HN 0.585 nan 8.370 nan 0.000 0.445 12 S N 2.378 118.141 115.700 0.104 0.000 2.504 12 S HA -0.242 4.228 4.470 -0.000 0.000 0.257 12 S C 1.175 175.769 174.600 -0.010 0.000 0.986 12 S CA 1.278 59.509 58.200 0.051 0.000 0.965 12 S CB -0.088 63.126 63.200 0.023 0.000 0.744 12 S HN 0.375 nan 8.310 nan 0.000 0.523 13 K N -0.796 119.520 120.400 -0.140 0.000 2.243 13 K HA 0.111 4.431 4.320 -0.000 0.000 0.201 13 K C 1.260 177.613 176.600 -0.411 0.000 1.051 13 K CA 1.117 57.193 56.287 -0.352 0.000 0.970 13 K CB -0.137 32.005 32.500 -0.596 0.000 0.755 13 K HN 0.526 nan 8.250 nan 0.000 0.465 14 F N 0.953 120.930 119.950 0.044 0.000 2.274 14 F HA 0.009 4.536 4.527 -0.000 0.000 0.288 14 F C 1.797 177.614 175.800 0.029 0.000 1.069 14 F CA -0.051 57.972 58.000 0.039 0.000 1.343 14 F CB -0.720 38.300 39.000 0.033 0.000 1.089 14 F HN -0.162 nan 8.300 nan 0.000 0.517 15 L N -0.280 121.069 121.223 0.210 0.000 2.450 15 L HA -0.036 4.304 4.340 -0.000 0.000 0.224 15 L C 1.733 178.683 176.870 0.132 0.000 1.149 15 L CA 1.504 56.387 54.840 0.071 0.000 0.816 15 L CB -1.489 40.570 42.059 0.001 0.000 0.932 15 L HN 0.088 nan 8.230 nan 0.000 0.449 16 E N 0.366 120.667 120.200 0.168 0.000 2.170 16 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 16 E C 2.232 178.951 176.600 0.198 0.000 0.981 16 E CA 1.058 57.590 56.400 0.219 0.000 0.830 16 E CB -0.131 29.622 29.700 0.087 0.000 0.775 16 E HN 0.703 nan 8.360 nan 0.000 0.470 17 Q N -0.628 119.257 119.800 0.143 0.000 2.245 17 Q HA -0.004 4.336 4.340 -0.000 0.000 0.201 17 Q C 1.943 178.045 176.000 0.169 0.000 0.955 17 Q CA 0.888 56.772 55.803 0.136 0.000 0.870 17 Q CB 0.291 29.098 28.738 0.115 0.000 0.945 17 Q HN 0.199 nan 8.270 nan 0.000 0.461 18 V N 0.496 120.508 119.914 0.164 0.000 2.295 18 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 18 V C 2.096 178.341 176.094 0.252 0.000 1.049 18 V CA 1.888 64.296 62.300 0.181 0.000 1.024 18 V CB -0.730 31.111 31.823 0.030 0.000 0.648 18 V HN 0.507 nan 8.190 nan 0.000 0.447 19 H N 0.450 119.631 119.070 0.185 0.000 2.265 19 H HA -0.197 4.359 4.556 -0.000 0.000 0.295 19 H C 2.096 177.550 175.328 0.209 0.000 1.084 19 H CA 1.937 58.098 56.048 0.187 0.000 1.261 19 H CB -0.302 29.525 29.762 0.108 0.000 1.360 19 H HN 0.499 nan 8.280 nan 0.000 0.487 20 Q N 0.473 120.446 119.800 0.289 0.000 2.362 20 Q HA 0.038 4.378 4.340 -0.000 0.000 0.210 20 Q C 1.145 177.219 176.000 0.124 0.000 0.924 20 Q CA -0.049 55.865 55.803 0.185 0.000 0.982 20 Q CB 0.103 28.925 28.738 0.139 0.000 1.028 20 Q HN 0.421 nan 8.270 nan 0.000 0.482 21 L N -1.449 119.854 121.223 0.134 0.000 3.039 21 L HA 0.203 4.543 4.340 -0.000 0.000 0.269 21 L C -0.646 176.005 176.870 -0.365 0.000 1.169 21 L CA -0.025 54.759 54.840 -0.093 0.000 0.986 21 L CB 0.754 42.748 42.059 -0.108 0.000 1.377 21 L HN 0.197 nan 8.230 nan 0.000 0.575 22 Y N 1.610 121.981 120.300 0.119 0.000 2.376 22 Y HA 0.309 4.859 4.550 -0.000 0.000 0.326 22 Y C -0.043 175.916 175.900 0.098 0.000 0.970 22 Y CA -1.415 56.751 58.100 0.111 0.000 1.248 22 Y CB 1.073 39.597 38.460 0.107 0.000 1.117 22 Y HN 0.064 nan 8.280 nan 0.000 0.476 23 D N 0.176 120.671 120.400 0.159 0.000 2.553 23 D HA 0.171 4.811 4.640 -0.000 0.000 0.249 23 D C -0.194 176.177 176.300 0.119 0.000 1.062 23 D CA -0.618 53.459 54.000 0.127 0.000 1.085 23 D CB 1.657 42.512 40.800 0.093 0.000 1.350 23 D HN 0.335 nan 8.370 nan 0.000 0.575 24 D N -0.360 120.093 120.400 0.088 0.000 2.322 24 D HA -0.189 4.451 4.640 -0.000 0.000 0.210 24 D C 2.087 178.443 176.300 0.093 0.000 0.983 24 D CA 1.910 55.951 54.000 0.068 0.000 0.902 24 D CB 0.094 40.921 40.800 0.044 0.000 0.905 24 D HN 0.424 nan 8.370 nan 0.000 0.483 25 S N -0.379 115.400 115.700 0.133 0.000 2.354 25 S HA -0.203 4.267 4.470 -0.000 0.000 0.219 25 S C 0.829 175.653 174.600 0.374 0.000 1.035 25 S CA 0.497 58.830 58.200 0.222 0.000 1.037 25 S CB -0.325 63.009 63.200 0.222 0.000 0.956 25 S HN 0.228 nan 8.310 nan 0.000 0.428 26 F N 4.951 124.979 119.950 0.129 0.000 2.451 26 F HA 0.501 5.028 4.527 -0.000 0.000 0.367 26 F C -2.629 173.245 175.800 0.124 0.000 1.100 26 F CA -3.113 54.947 58.000 0.100 0.000 1.171 26 F CB 1.140 40.127 39.000 -0.022 0.000 1.405 26 F HN 0.050 nan 8.300 nan 0.000 0.482 27 P HA -0.137 nan 4.420 nan 0.000 0.260 27 P C 0.997 178.131 177.300 -0.276 0.000 1.172 27 P CA 0.248 63.243 63.100 -0.175 0.000 0.760 27 P CB 0.750 32.337 31.700 -0.189 0.000 0.773 28 M N 3.164 122.699 119.600 -0.108 0.000 2.346 28 M HA -0.176 4.303 4.480 -0.000 0.000 0.263 28 M C 1.548 177.581 176.300 -0.446 0.000 1.064 28 M CA 1.673 56.759 55.300 -0.356 0.000 1.083 28 M CB -0.267 32.137 32.600 -0.327 0.000 1.399 28 M HN 0.325 nan 8.290 nan 0.000 0.435 29 E N 0.446 120.430 120.200 -0.361 0.000 2.118 29 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 29 E C 1.894 178.174 176.600 -0.533 0.000 0.992 29 E CA 1.571 57.690 56.400 -0.468 0.000 0.804 29 E CB -0.251 29.272 29.700 -0.295 0.000 0.741 29 E HN 0.632 nan 8.360 nan 0.000 0.458 30 I N 0.802 121.108 120.570 -0.440 0.000 2.193 30 I HA -0.209 3.961 4.170 -0.000 0.000 0.240 30 I C 2.654 178.559 176.117 -0.355 0.000 1.084 30 I CA 0.770 61.847 61.300 -0.371 0.000 1.365 30 I CB -0.187 37.494 38.000 -0.532 0.000 1.064 30 I HN -0.006 nan 8.210 nan 0.000 0.410 31 R N 1.399 121.622 120.500 -0.462 0.000 2.185 31 R HA -0.267 4.073 4.340 -0.000 0.000 0.247 31 R C 2.067 177.893 176.300 -0.790 0.000 1.159 31 R CA 2.007 57.843 56.100 -0.441 0.000 0.988 31 R CB -0.495 29.492 30.300 -0.522 0.000 0.871 31 R HN 0.516 nan 8.270 nan 0.000 0.458 32 Q N -1.421 117.902 119.800 -0.796 0.000 2.226 32 Q HA -0.035 4.305 4.340 -0.000 0.000 0.199 32 Q C 1.360 177.293 176.000 -0.112 0.000 0.945 32 Q CA 0.599 55.980 55.803 -0.702 0.000 0.861 32 Q CB -0.086 28.413 28.738 -0.398 0.000 0.953 32 Q HN 0.640 nan 8.270 nan 0.000 0.490 33 Y N -0.380 119.847 120.300 -0.123 0.000 2.578 33 Y HA 0.003 4.553 4.550 -0.000 0.000 0.297 33 Y C 0.262 176.131 175.900 -0.052 0.000 1.176 33 Y CA -0.272 57.804 58.100 -0.040 0.000 1.315 33 Y CB 0.807 39.267 38.460 -0.001 0.000 1.031 33 Y HN 0.156 nan 8.280 nan 0.000 0.524 34 L N -1.511 119.773 121.223 0.101 0.000 3.425 34 L HA 0.327 4.667 4.340 -0.000 0.000 0.330 34 L C 1.343 178.318 176.870 0.175 0.000 1.317 34 L CA 0.028 54.950 54.840 0.136 0.000 0.940 34 L CB 0.218 42.348 42.059 0.119 0.000 1.378 34 L HN -0.020 nan 8.230 nan 0.000 0.611 35 A N -0.679 122.183 122.820 0.071 0.000 1.902 35 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 35 A C 2.084 179.755 177.584 0.145 0.000 1.181 35 A CA 1.640 53.703 52.037 0.042 0.000 0.623 35 A CB -0.140 18.841 19.000 -0.032 0.000 0.818 35 A HN 0.535 nan 8.150 nan 0.000 0.443 36 Q N -2.333 117.568 119.800 0.168 0.000 2.119 36 Q HA -0.202 4.138 4.340 -0.000 0.000 0.201 36 Q C 1.906 178.019 176.000 0.188 0.000 0.972 36 Q CA 1.512 57.410 55.803 0.158 0.000 0.847 36 Q CB -0.203 28.619 28.738 0.139 0.000 0.903 36 Q HN 0.891 nan 8.270 nan 0.000 0.433 37 W N 0.977 122.324 121.300 0.077 0.000 2.407 37 W HA -0.117 4.543 4.660 -0.000 0.000 0.305 37 W C 1.507 178.124 176.519 0.163 0.000 1.196 37 W CA 1.078 58.480 57.345 0.094 0.000 1.311 37 W CB -0.186 29.326 29.460 0.085 0.000 1.135 37 W HN 0.009 nan 8.180 nan 0.000 0.514 38 L N 0.446 121.909 121.223 0.399 0.000 1.976 38 L HA -0.243 4.097 4.340 -0.000 0.000 0.209 38 L C 2.382 179.424 176.870 0.287 0.000 1.071 38 L CA 2.038 57.112 54.840 0.390 0.000 0.746 38 L CB -1.211 41.038 42.059 0.316 0.000 0.890 38 L HN -0.040 nan 8.230 nan 0.000 0.432 39 E N -0.249 120.056 120.200 0.174 0.000 2.273 39 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 39 E C 2.114 178.752 176.600 0.064 0.000 1.002 39 E CA 0.840 57.318 56.400 0.130 0.000 0.828 39 E CB 0.039 29.805 29.700 0.110 0.000 0.747 39 E HN 0.258 nan 8.360 nan 0.000 0.491 40 K N 0.623 121.005 120.400 -0.029 0.000 1.991 40 K HA -0.018 4.302 4.320 -0.000 0.000 0.207 40 K C 0.798 177.238 176.600 -0.266 0.000 1.045 40 K CA 0.640 56.841 56.287 -0.143 0.000 0.937 40 K CB -0.224 32.150 32.500 -0.212 0.000 0.720 40 K HN 0.100 nan 8.250 nan 0.000 0.438 41 Q N 1.737 121.229 119.800 -0.513 0.000 2.354 41 Q HA -0.104 4.236 4.340 -0.000 0.000 0.310 41 Q C 0.061 175.577 176.000 -0.807 0.000 1.104 41 Q CA 0.443 55.727 55.803 -0.866 0.000 0.968 41 Q CB -0.028 27.763 28.738 -1.579 0.000 1.251 41 Q HN 0.114 nan 8.270 nan 0.000 0.411 42 D N 1.342 121.346 120.400 -0.660 0.000 2.551 42 D HA 0.027 4.667 4.640 -0.000 0.000 0.223 42 D C 0.076 176.079 176.300 -0.495 0.000 1.144 42 D CA -0.155 53.640 54.000 -0.342 0.000 1.025 42 D CB -0.325 40.467 40.800 -0.015 0.000 1.085 42 D HN 0.455 nan 8.370 nan 0.000 0.506 43 W N 1.520 122.755 121.300 -0.108 0.000 2.374 43 W HA -0.066 4.594 4.660 -0.000 0.000 0.288 43 W C 2.265 178.719 176.519 -0.109 0.000 1.218 43 W CA 0.266 57.538 57.345 -0.122 0.000 1.245 43 W CB -0.015 29.431 29.460 -0.024 0.000 1.126 43 W HN 0.387 nan 8.180 nan 0.000 0.545 44 E N -0.083 120.174 120.200 0.094 0.000 2.058 44 E HA -0.341 4.009 4.350 -0.000 0.000 0.194 44 E C 2.210 178.749 176.600 -0.102 0.000 0.997 44 E CA 1.694 57.922 56.400 -0.285 0.000 0.801 44 E CB -0.382 29.176 29.700 -0.236 0.000 0.746 44 E HN 0.275 nan 8.360 nan 0.000 0.450 45 H N 0.375 119.391 119.070 -0.091 0.000 2.293 45 H HA -0.048 4.508 4.556 -0.000 0.000 0.300 45 H C 1.829 177.151 175.328 -0.010 0.000 1.082 45 H CA 2.080 58.139 56.048 0.019 0.000 1.308 45 H CB -0.563 29.337 29.762 0.231 0.000 1.375 45 H HN 0.247 nan 8.280 nan 0.000 0.495 46 A N 0.924 123.703 122.820 -0.069 0.000 2.076 46 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 46 A C 2.605 180.187 177.584 -0.004 0.000 1.160 46 A CA 1.634 53.541 52.037 -0.217 0.000 0.653 46 A CB -0.978 17.669 19.000 -0.588 0.000 0.801 46 A HN 0.583 nan 8.150 nan 0.000 0.455 47 A N -0.751 122.067 122.820 -0.005 0.000 2.168 47 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 47 A C 1.686 179.255 177.584 -0.026 0.000 1.152 47 A CA 1.249 53.267 52.037 -0.033 0.000 0.716 47 A CB -0.278 18.648 19.000 -0.123 0.000 0.794 47 A HN 0.578 nan 8.150 nan 0.000 0.465 48 N N -0.964 117.747 118.700 0.019 0.000 2.210 48 N HA 0.019 4.759 4.740 -0.000 0.000 0.203 48 N C -0.839 174.712 175.510 0.068 0.000 1.175 48 N CA 0.121 53.179 53.050 0.013 0.000 0.894 48 N CB 0.838 39.300 38.487 -0.041 0.000 1.041 48 N HN 0.371 nan 8.380 nan 0.000 0.506 49 D N 1.213 121.710 120.400 0.162 0.000 2.469 49 D HA 0.138 4.778 4.640 -0.000 0.000 0.251 49 D C 1.321 177.721 176.300 0.166 0.000 1.173 49 D CA -0.389 53.727 54.000 0.194 0.000 0.882 49 D CB 2.034 43.057 40.800 0.371 0.000 1.129 49 D HN -0.308 nan 8.370 nan 0.000 0.549 50 V N 3.410 123.389 119.914 0.108 0.000 2.278 50 V HA -0.326 3.794 4.120 -0.000 0.000 0.251 50 V C 2.559 178.726 176.094 0.121 0.000 1.062 50 V CA 2.612 64.967 62.300 0.092 0.000 1.038 50 V CB -0.828 31.035 31.823 0.066 0.000 0.646 50 V HN 0.711 nan 8.190 nan 0.000 0.447 51 S N -0.338 115.442 115.700 0.133 0.000 2.356 51 S HA -0.255 4.215 4.470 -0.000 0.000 0.223 51 S C 2.050 176.775 174.600 0.209 0.000 1.032 51 S CA 1.755 60.040 58.200 0.142 0.000 1.005 51 S CB -0.956 62.306 63.200 0.103 0.000 0.867 51 S HN 0.596 nan 8.310 nan 0.000 0.449 52 F N 2.640 122.587 119.950 -0.004 0.000 2.069 52 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 52 F C 2.812 178.595 175.800 -0.028 0.000 1.113 52 F CA 0.843 58.786 58.000 -0.095 0.000 1.214 52 F CB -0.565 38.264 39.000 -0.284 0.000 0.978 52 F HN 0.370 nan 8.300 nan 0.000 0.474 53 A N 0.211 123.090 122.820 0.097 0.000 1.873 53 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 53 A C 2.033 179.710 177.584 0.155 0.000 1.193 53 A CA 2.629 54.691 52.037 0.042 0.000 0.629 53 A CB -1.487 17.548 19.000 0.058 0.000 0.826 53 A HN 0.457 nan 8.150 nan 0.000 0.447 54 T N 0.323 114.986 114.554 0.181 0.000 2.720 54 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 54 T C 1.804 176.721 174.700 0.361 0.000 1.037 54 T CA 1.522 63.777 62.100 0.259 0.000 1.144 54 T CB -0.458 68.546 68.868 0.227 0.000 0.864 54 T HN 0.420 nan 8.240 nan 0.000 0.444 55 I N 0.577 121.321 120.570 0.290 0.000 2.127 55 I HA -0.194 3.976 4.170 -0.000 0.000 0.241 55 I C 2.850 179.142 176.117 0.292 0.000 1.075 55 I CA 1.235 62.705 61.300 0.283 0.000 1.334 55 I CB -0.302 37.846 38.000 0.247 0.000 1.040 55 I HN 0.073 nan 8.210 nan 0.000 0.405 56 R N 0.242 120.882 120.500 0.233 0.000 2.120 56 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 56 R C 2.164 178.693 176.300 0.382 0.000 1.123 56 R CA 1.295 57.536 56.100 0.235 0.000 0.975 56 R CB -1.031 29.191 30.300 -0.130 0.000 0.866 56 R HN 0.346 nan 8.270 nan 0.000 0.446 57 F N 1.318 121.384 119.950 0.193 0.000 2.102 57 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 57 F C 2.275 178.085 175.800 0.017 0.000 1.105 57 F CA 1.595 59.654 58.000 0.100 0.000 1.239 57 F CB -0.311 38.669 39.000 -0.034 0.000 0.991 57 F HN 0.074 nan 8.300 nan 0.000 0.474 58 H N -0.277 118.767 119.070 -0.043 0.000 2.428 58 H HA -0.094 4.462 4.556 -0.000 0.000 0.296 58 H C 1.813 177.050 175.328 -0.151 0.000 1.062 58 H CA 1.440 57.380 56.048 -0.180 0.000 1.350 58 H CB -0.345 29.430 29.762 0.021 0.000 1.403 58 H HN 0.359 nan 8.280 nan 0.000 0.533 59 D N 0.785 121.239 120.400 0.090 0.000 2.117 59 D HA -0.126 4.513 4.640 -0.000 0.000 0.197 59 D C 2.332 178.446 176.300 -0.311 0.000 0.987 59 D CA 0.426 54.447 54.000 0.035 0.000 0.829 59 D CB -0.178 40.844 40.800 0.370 0.000 0.961 59 D HN 0.192 nan 8.370 nan 0.000 0.460 60 L N 1.115 122.184 121.223 -0.257 0.000 2.083 60 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 60 L C 2.208 178.839 176.870 -0.399 0.000 1.083 60 L CA 1.340 55.916 54.840 -0.440 0.000 0.752 60 L CB -0.677 41.398 42.059 0.025 0.000 0.899 60 L HN 0.001 nan 8.230 nan 0.000 0.433 61 L N -1.412 119.572 121.223 -0.399 0.000 2.056 61 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 61 L C 2.453 179.179 176.870 -0.241 0.000 1.078 61 L CA 1.317 55.955 54.840 -0.337 0.000 0.749 61 L CB -0.771 41.052 42.059 -0.394 0.000 0.901 61 L HN 0.186 nan 8.230 nan 0.000 0.433 62 S N -0.781 114.787 115.700 -0.219 0.000 2.399 62 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 62 S C 1.954 176.416 174.600 -0.229 0.000 1.022 62 S CA 0.929 59.026 58.200 -0.172 0.000 0.983 62 S CB -0.129 62.996 63.200 -0.125 0.000 0.803 62 S HN 0.403 nan 8.310 nan 0.000 0.480 63 Q N 0.682 120.256 119.800 -0.377 0.000 2.224 63 Q HA 0.094 4.434 4.340 -0.000 0.000 0.203 63 Q C 2.096 177.928 176.000 -0.279 0.000 0.970 63 Q CA 0.733 56.274 55.803 -0.435 0.000 0.865 63 Q CB -0.388 27.864 28.738 -0.810 0.000 0.922 63 Q HN 0.514 nan 8.270 nan 0.000 0.445 64 L N 0.538 121.619 121.223 -0.235 0.000 2.109 64 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 64 L C 1.751 178.566 176.870 -0.092 0.000 1.086 64 L CA 0.829 55.581 54.840 -0.148 0.000 0.760 64 L CB -0.309 41.664 42.059 -0.144 0.000 0.910 64 L HN 0.092 nan 8.230 nan 0.000 0.437 65 D N 0.258 120.603 120.400 -0.091 0.000 2.117 65 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 65 D C 1.707 178.002 176.300 -0.009 0.000 0.987 65 D CA 1.235 55.226 54.000 -0.015 0.000 0.829 65 D CB -0.217 40.565 40.800 -0.029 0.000 0.961 65 D HN 0.297 nan 8.370 nan 0.000 0.460 66 D N 0.325 120.676 120.400 -0.083 0.000 2.144 66 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 66 D C 2.030 178.240 176.300 -0.150 0.000 0.984 66 D CA 0.800 54.737 54.000 -0.105 0.000 0.834 66 D CB -0.246 40.478 40.800 -0.127 0.000 0.955 66 D HN 0.164 nan 8.370 nan 0.000 0.465 67 Q N -0.361 119.329 119.800 -0.183 0.000 2.167 67 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 67 Q C 1.918 177.710 176.000 -0.346 0.000 0.970 67 Q CA 0.972 56.566 55.803 -0.348 0.000 0.855 67 Q CB -0.482 28.087 28.738 -0.283 0.000 0.911 67 Q HN 0.336 nan 8.270 nan 0.000 0.438 68 Y N -0.042 120.137 120.300 -0.202 0.000 2.242 68 Y HA -0.082 4.468 4.550 -0.000 0.000 0.291 68 Y C 2.076 177.953 175.900 -0.038 0.000 1.137 68 Y CA 1.745 59.817 58.100 -0.047 0.000 1.181 68 Y CB -0.337 38.112 38.460 -0.019 0.000 0.989 68 Y HN 0.129 nan 8.280 nan 0.000 0.527 69 S N 0.110 115.745 115.700 -0.109 0.000 2.406 69 S HA -0.080 4.390 4.470 -0.000 0.000 0.228 69 S C 1.903 176.405 174.600 -0.163 0.000 1.020 69 S CA 0.913 59.007 58.200 -0.176 0.000 0.965 69 S CB -0.151 62.988 63.200 -0.102 0.000 0.798 69 S HN 0.466 nan 8.310 nan 0.000 0.488 70 R N 0.438 120.808 120.500 -0.217 0.000 2.092 70 R HA 0.037 4.377 4.340 -0.000 0.000 0.231 70 R C 1.821 178.050 176.300 -0.119 0.000 1.119 70 R CA 1.323 57.286 56.100 -0.229 0.000 0.970 70 R CB -0.436 29.629 30.300 -0.392 0.000 0.864 70 R HN 0.423 nan 8.270 nan 0.000 0.440 71 F N 0.533 120.414 119.950 -0.115 0.000 2.206 71 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 71 F C 2.566 178.294 175.800 -0.119 0.000 1.090 71 F CA 0.383 58.322 58.000 -0.102 0.000 1.323 71 F CB -0.026 38.937 39.000 -0.062 0.000 1.028 71 F HN -0.022 nan 8.300 nan 0.000 0.492 72 S N 0.979 116.664 115.700 -0.025 0.000 2.387 72 S HA -0.199 4.271 4.470 -0.000 0.000 0.230 72 S C 1.984 176.565 174.600 -0.032 0.000 1.035 72 S CA 1.163 59.300 58.200 -0.106 0.000 1.014 72 S CB -0.547 62.506 63.200 -0.244 0.000 0.836 72 S HN 0.277 nan 8.310 nan 0.000 0.466 73 L N 0.927 122.135 121.223 -0.025 0.000 2.017 73 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 73 L C 2.317 179.196 176.870 0.016 0.000 1.073 73 L CA 1.361 56.194 54.840 -0.012 0.000 0.745 73 L CB -0.535 41.511 42.059 -0.022 0.000 0.894 73 L HN 0.305 nan 8.230 nan 0.000 0.432 74 E N -0.244 119.985 120.200 0.048 0.000 2.482 74 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 74 E C 0.135 176.766 176.600 0.052 0.000 1.047 74 E CA 0.091 56.526 56.400 0.058 0.000 0.869 74 E CB 0.094 29.853 29.700 0.098 0.000 0.836 74 E HN 0.384 nan 8.360 nan 0.000 0.520 75 N N 0.897 119.630 118.700 0.055 0.000 2.800 75 N HA -0.217 4.522 4.740 -0.000 0.000 0.250 75 N C -0.329 175.234 175.510 0.088 0.000 1.078 75 N CA 0.487 53.577 53.050 0.065 0.000 0.804 75 N CB -1.784 36.731 38.487 0.046 0.000 1.135 75 N HN 0.255 nan 8.380 nan 0.000 0.565 76 N N 0.800 119.533 118.700 0.054 0.000 2.670 76 N HA -0.041 4.699 4.740 -0.000 0.000 0.296 76 N C 1.027 176.543 175.510 0.009 0.000 1.216 76 N CA -0.044 52.997 53.050 -0.015 0.000 1.123 76 N CB -0.506 37.873 38.487 -0.180 0.000 1.459 76 N HN 0.206 nan 8.380 nan 0.000 0.509 77 F N 2.733 122.659 119.950 -0.039 0.000 2.147 77 F HA -0.278 4.249 4.527 -0.000 0.000 0.301 77 F C 1.751 177.558 175.800 0.012 0.000 1.084 77 F CA 1.164 59.164 58.000 0.001 0.000 1.268 77 F CB -0.038 38.959 39.000 -0.005 0.000 1.009 77 F HN 0.436 nan 8.300 nan 0.000 0.486 78 L N 0.314 121.532 121.223 -0.009 0.000 1.948 78 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 78 L C 2.273 179.068 176.870 -0.125 0.000 1.074 78 L CA 1.942 56.733 54.840 -0.082 0.000 0.753 78 L CB -1.185 40.854 42.059 -0.034 0.000 0.888 78 L HN 0.188 nan 8.230 nan 0.000 0.432 79 L N -0.778 120.297 121.223 -0.247 0.000 2.129 79 L HA -0.299 4.041 4.340 -0.000 0.000 0.212 79 L C 2.652 179.456 176.870 -0.111 0.000 1.087 79 L CA 1.467 56.092 54.840 -0.358 0.000 0.757 79 L CB -0.792 40.536 42.059 -1.218 0.000 0.896 79 L HN 0.500 nan 8.230 nan 0.000 0.434 80 Q N -1.048 118.724 119.800 -0.047 0.000 2.061 80 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 80 Q C 2.272 178.384 176.000 0.187 0.000 0.984 80 Q CA 1.748 57.728 55.803 0.294 0.000 0.846 80 Q CB -0.329 28.517 28.738 0.180 0.000 0.902 80 Q HN 0.592 nan 8.270 nan 0.000 0.421 81 H N 0.856 119.834 119.070 -0.153 0.000 2.326 81 H HA -0.073 4.483 4.556 -0.000 0.000 0.301 81 H C 1.629 176.888 175.328 -0.115 0.000 1.081 81 H CA 1.351 57.274 56.048 -0.207 0.000 1.334 81 H CB 0.285 29.834 29.762 -0.355 0.000 1.385 81 H HN 0.223 nan 8.280 nan 0.000 0.504 82 N N 1.013 119.736 118.700 0.039 0.000 2.058 82 N HA -0.144 4.596 4.740 -0.000 0.000 0.191 82 N C 2.190 177.683 175.510 -0.029 0.000 1.037 82 N CA 0.884 53.942 53.050 0.013 0.000 0.848 82 N CB -0.301 38.217 38.487 0.050 0.000 1.021 82 N HN 0.307 nan 8.380 nan 0.000 0.422 83 I N 1.665 122.275 120.570 0.066 0.000 2.151 83 I HA -0.244 3.925 4.170 -0.000 0.000 0.243 83 I C 2.486 178.537 176.117 -0.111 0.000 1.080 83 I CA 1.022 62.368 61.300 0.076 0.000 1.339 83 I CB -0.839 37.325 38.000 0.272 0.000 1.039 83 I HN 0.179 nan 8.210 nan 0.000 0.409 84 R N 0.595 120.956 120.500 -0.231 0.000 2.083 84 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 84 R C 2.330 178.464 176.300 -0.276 0.000 1.137 84 R CA 1.466 57.340 56.100 -0.377 0.000 0.951 84 R CB 0.033 30.066 30.300 -0.444 0.000 0.851 84 R HN 0.202 nan 8.270 nan 0.000 0.434 85 K N -0.171 120.066 120.400 -0.273 0.000 2.025 85 K HA -0.028 4.291 4.320 -0.000 0.000 0.207 85 K C 2.168 178.690 176.600 -0.131 0.000 1.049 85 K CA 1.519 57.679 56.287 -0.211 0.000 0.933 85 K CB -0.280 32.091 32.500 -0.215 0.000 0.714 85 K HN 0.121 nan 8.250 nan 0.000 0.438 86 S N 1.473 117.104 115.700 -0.114 0.000 2.370 86 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 86 S C 1.961 176.514 174.600 -0.078 0.000 1.033 86 S CA 1.488 59.632 58.200 -0.093 0.000 1.011 86 S CB -0.123 63.013 63.200 -0.105 0.000 0.852 86 S HN 0.341 nan 8.310 nan 0.000 0.457 87 K N 1.280 121.620 120.400 -0.099 0.000 2.002 87 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 87 K C 2.407 178.979 176.600 -0.048 0.000 1.048 87 K CA 1.293 57.529 56.287 -0.085 0.000 0.930 87 K CB -0.198 32.220 32.500 -0.136 0.000 0.714 87 K HN 0.150 nan 8.250 nan 0.000 0.438 88 R N 0.469 120.922 120.500 -0.078 0.000 2.117 88 R HA -0.175 4.165 4.340 -0.000 0.000 0.243 88 R C 1.762 178.048 176.300 -0.024 0.000 1.143 88 R CA 2.059 58.127 56.100 -0.054 0.000 0.968 88 R CB -0.146 30.103 30.300 -0.083 0.000 0.863 88 R HN 0.260 nan 8.270 nan 0.000 0.444 89 N N 0.372 119.056 118.700 -0.028 0.000 2.047 89 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 89 N C 1.569 177.094 175.510 0.024 0.000 1.055 89 N CA 1.128 54.167 53.050 -0.018 0.000 0.847 89 N CB -0.520 37.956 38.487 -0.017 0.000 1.038 89 N HN 0.049 nan 8.380 nan 0.000 0.427 90 L N 1.518 122.806 121.223 0.109 0.000 2.054 90 L HA -0.336 4.004 4.340 -0.000 0.000 0.220 90 L C 2.160 179.250 176.870 0.367 0.000 1.081 90 L CA 1.959 56.992 54.840 0.321 0.000 0.780 90 L CB -1.125 41.094 42.059 0.268 0.000 0.893 90 L HN 0.390 nan 8.230 nan 0.000 0.438 91 Q N 0.364 120.314 119.800 0.249 0.000 1.956 91 Q HA -0.237 4.103 4.340 -0.000 0.000 0.208 91 Q C 1.097 177.184 176.000 0.145 0.000 0.998 91 Q CA 2.580 58.557 55.803 0.290 0.000 0.855 91 Q CB -0.171 28.654 28.738 0.144 0.000 0.928 91 Q HN 0.739 nan 8.270 nan 0.000 0.418 92 D N -1.277 119.139 120.400 0.026 0.000 2.344 92 D HA -0.012 4.628 4.640 -0.000 0.000 0.242 92 D C 0.163 176.367 176.300 -0.160 0.000 1.159 92 D CA 0.311 54.282 54.000 -0.048 0.000 0.859 92 D CB -0.317 40.458 40.800 -0.041 0.000 0.925 92 D HN 0.374 nan 8.370 nan 0.000 0.510 93 N N -1.258 117.272 118.700 -0.282 0.000 2.239 93 N HA 0.200 4.940 4.740 -0.000 0.000 0.208 93 N C -0.045 174.885 175.510 -0.966 0.000 1.200 93 N CA 0.001 52.645 53.050 -0.677 0.000 0.895 93 N CB 0.562 38.469 38.487 -0.967 0.000 1.085 93 N HN 0.081 nan 8.380 nan 0.000 0.500 94 F N -0.155 119.723 119.950 -0.120 0.000 2.915 94 F HA 0.265 4.791 4.527 -0.000 0.000 0.347 94 F C 1.492 176.892 175.800 -0.667 0.000 1.104 94 F CA -0.310 57.508 58.000 -0.303 0.000 1.126 94 F CB 0.539 39.401 39.000 -0.230 0.000 1.145 94 F HN -0.157 nan 8.300 nan 0.000 0.541 95 Q N 1.009 120.556 119.800 -0.422 0.000 2.515 95 Q HA -0.056 4.284 4.340 -0.000 0.000 0.214 95 Q C 0.875 176.736 176.000 -0.231 0.000 0.971 95 Q CA 0.949 56.472 55.803 -0.466 0.000 0.952 95 Q CB 0.182 28.899 28.738 -0.036 0.000 0.999 95 Q HN 0.278 nan 8.270 nan 0.000 0.524 96 E N -0.728 119.359 120.200 -0.188 0.000 2.702 96 E HA 0.062 4.412 4.350 -0.000 0.000 0.225 96 E C -0.740 175.815 176.600 -0.075 0.000 0.942 96 E CA 0.182 56.525 56.400 -0.094 0.000 1.210 96 E CB 1.108 30.770 29.700 -0.064 0.000 1.143 96 E HN 0.077 nan 8.360 nan 0.000 0.544 97 D N 0.174 120.520 120.400 -0.090 0.000 3.118 97 D HA 0.172 4.812 4.640 -0.000 0.000 0.259 97 D C -2.363 173.928 176.300 -0.014 0.000 1.292 97 D CA -1.428 52.559 54.000 -0.022 0.000 0.784 97 D CB 1.016 41.833 40.800 0.029 0.000 1.413 97 D HN -0.196 nan 8.370 nan 0.000 0.583 98 P HA 0.061 nan 4.420 nan 0.000 0.225 98 P C 1.527 178.795 177.300 -0.052 0.000 1.156 98 P CA 0.353 63.376 63.100 -0.128 0.000 0.787 98 P CB 0.450 32.082 31.700 -0.113 0.000 0.802 99 I N 0.318 120.875 120.570 -0.022 0.000 2.226 99 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 99 I C 2.653 178.743 176.117 -0.045 0.000 1.100 99 I CA 1.676 62.968 61.300 -0.014 0.000 1.374 99 I CB -1.253 36.746 38.000 -0.001 0.000 1.057 99 I HN 0.029 nan 8.210 nan 0.000 0.413 100 Q N 0.943 120.722 119.800 -0.034 0.000 2.123 100 Q HA -0.215 4.125 4.340 -0.000 0.000 0.199 100 Q C 2.315 178.184 176.000 -0.217 0.000 0.966 100 Q CA 1.535 57.310 55.803 -0.047 0.000 0.845 100 Q CB -0.430 28.347 28.738 0.066 0.000 0.907 100 Q HN 0.565 nan 8.270 nan 0.000 0.439 101 M N 0.479 119.824 119.600 -0.424 0.000 2.213 101 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 101 M C 1.629 177.579 176.300 -0.584 0.000 1.062 101 M CA 1.671 56.415 55.300 -0.927 0.000 1.105 101 M CB 0.059 32.000 32.600 -1.098 0.000 1.385 101 M HN 0.303 nan 8.290 nan 0.000 0.417 102 S N 0.744 116.283 115.700 -0.269 0.000 2.355 102 S HA -0.110 4.360 4.470 -0.000 0.000 0.222 102 S C 1.788 176.318 174.600 -0.116 0.000 1.031 102 S CA 1.572 59.727 58.200 -0.075 0.000 0.993 102 S CB -0.292 62.980 63.200 0.121 0.000 0.859 102 S HN 0.545 nan 8.310 nan 0.000 0.453 103 M N 0.849 120.384 119.600 -0.107 0.000 2.149 103 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 103 M C 1.814 178.046 176.300 -0.113 0.000 1.064 103 M CA 1.212 56.476 55.300 -0.060 0.000 1.102 103 M CB -0.676 31.885 32.600 -0.065 0.000 1.369 103 M HN 0.261 nan 8.290 nan 0.000 0.408 104 I N 0.642 121.052 120.570 -0.266 0.000 2.113 104 I HA -0.268 3.902 4.170 -0.000 0.000 0.238 104 I C 2.413 178.241 176.117 -0.482 0.000 1.070 104 I CA 1.793 62.884 61.300 -0.349 0.000 1.332 104 I CB -1.171 36.560 38.000 -0.449 0.000 1.044 104 I HN 0.318 nan 8.210 nan 0.000 0.402 105 I N -0.122 119.991 120.570 -0.762 0.000 2.208 105 I HA -0.368 3.802 4.170 -0.000 0.000 0.245 105 I C 2.742 178.532 176.117 -0.546 0.000 1.097 105 I CA 1.662 62.393 61.300 -0.948 0.000 1.363 105 I CB -0.727 36.296 38.000 -1.629 0.000 1.051 105 I HN 0.187 nan 8.210 nan 0.000 0.413 106 Y N 2.510 122.579 120.300 -0.386 0.000 2.049 106 Y HA -0.352 4.198 4.550 -0.000 0.000 0.277 106 Y C 2.964 178.791 175.900 -0.123 0.000 1.143 106 Y CA 2.148 60.170 58.100 -0.130 0.000 1.115 106 Y CB -0.617 37.830 38.460 -0.022 0.000 0.975 106 Y HN 0.238 nan 8.280 nan 0.000 0.487 107 S N -1.071 114.516 115.700 -0.189 0.000 2.399 107 S HA -0.246 4.224 4.470 -0.000 0.000 0.231 107 S C 2.181 176.624 174.600 -0.262 0.000 1.022 107 S CA 1.235 59.286 58.200 -0.247 0.000 0.983 107 S CB -1.506 61.652 63.200 -0.071 0.000 0.803 107 S HN 0.598 nan 8.310 nan 0.000 0.480 108 C N 1.233 120.370 119.300 -0.271 0.000 2.432 108 C HA 0.146 4.606 4.460 -0.000 0.000 0.277 108 C C 2.725 177.625 174.990 -0.151 0.000 1.249 108 C CA 0.634 59.505 59.018 -0.244 0.000 1.725 108 C CB -1.519 26.025 27.740 -0.326 0.000 2.028 108 C HN 0.614 nan 8.230 nan 0.000 0.477 109 L N 0.489 121.602 121.223 -0.182 0.000 2.056 109 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 109 L C 2.788 179.581 176.870 -0.129 0.000 1.078 109 L CA 1.287 56.071 54.840 -0.094 0.000 0.749 109 L CB -0.715 41.288 42.059 -0.094 0.000 0.901 109 L HN 0.312 nan 8.230 nan 0.000 0.433 110 K N 0.545 120.772 120.400 -0.288 0.000 2.097 110 K HA -0.238 4.082 4.320 -0.000 0.000 0.206 110 K C 1.882 178.394 176.600 -0.147 0.000 1.049 110 K CA 1.556 57.664 56.287 -0.298 0.000 0.933 110 K CB 0.110 32.263 32.500 -0.578 0.000 0.717 110 K HN 0.146 nan 8.250 nan 0.000 0.442 111 E N 0.861 120.989 120.200 -0.120 0.000 2.358 111 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 111 E C 1.443 178.047 176.600 0.006 0.000 1.010 111 E CA 0.857 57.227 56.400 -0.050 0.000 0.856 111 E CB 0.226 29.893 29.700 -0.056 0.000 0.795 111 E HN 0.350 nan 8.360 nan 0.000 0.504 112 E N -0.250 119.965 120.200 0.025 0.000 2.072 112 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 112 E C 2.141 178.771 176.600 0.049 0.000 0.982 112 E CA 0.542 56.993 56.400 0.085 0.000 0.803 112 E CB -0.033 29.758 29.700 0.152 0.000 0.755 112 E HN 0.134 nan 8.360 nan 0.000 0.453 113 R N 1.306 121.817 120.500 0.018 0.000 2.080 113 R HA -0.141 4.199 4.340 -0.000 0.000 0.236 113 R C 2.320 178.622 176.300 0.004 0.000 1.137 113 R CA 1.550 57.652 56.100 0.005 0.000 0.943 113 R CB -0.132 30.162 30.300 -0.010 0.000 0.846 113 R HN 0.040 nan 8.270 nan 0.000 0.431 114 K N 0.366 120.770 120.400 0.007 0.000 2.077 114 K HA -0.221 4.099 4.320 -0.000 0.000 0.213 114 K C 2.054 178.677 176.600 0.038 0.000 1.051 114 K CA 1.862 58.161 56.287 0.020 0.000 0.929 114 K CB -0.383 32.130 32.500 0.023 0.000 0.715 114 K HN 0.240 nan 8.250 nan 0.000 0.451 115 I N 0.982 121.585 120.570 0.055 0.000 2.361 115 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 115 I C 2.142 178.256 176.117 -0.005 0.000 1.133 115 I CA 1.131 62.484 61.300 0.089 0.000 1.413 115 I CB -0.213 37.861 38.000 0.124 0.000 1.073 115 I HN 0.158 nan 8.210 nan 0.000 0.424 116 L N 0.107 121.305 121.223 -0.042 0.000 2.270 116 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 116 L C 2.527 179.333 176.870 -0.107 0.000 1.104 116 L CA 0.842 55.613 54.840 -0.115 0.000 0.804 116 L CB -0.350 41.662 42.059 -0.077 0.000 0.937 116 L HN 0.289 nan 8.230 nan 0.000 0.450 117 E N 0.654 120.826 120.200 -0.046 0.000 2.076 117 E HA -0.218 4.132 4.350 -0.000 0.000 0.190 117 E C 1.732 178.330 176.600 -0.004 0.000 0.979 117 E CA 0.918 57.302 56.400 -0.026 0.000 0.807 117 E CB 0.065 29.763 29.700 -0.003 0.000 0.761 117 E HN 0.467 nan 8.360 nan 0.000 0.454 118 N N -0.812 117.904 118.700 0.026 0.000 2.515 118 N HA 0.001 4.740 4.740 -0.000 0.000 0.185 118 N C 1.002 176.584 175.510 0.119 0.000 1.109 118 N CA 0.449 53.554 53.050 0.092 0.000 0.903 118 N CB 0.156 38.723 38.487 0.134 0.000 0.969 118 N HN 0.146 nan 8.380 nan 0.000 0.450 119 A N -0.189 122.580 122.820 -0.085 0.000 2.345 119 A HA 0.125 4.445 4.320 -0.000 0.000 0.225 119 A C 1.137 178.639 177.584 -0.136 0.000 1.243 119 A CA -0.081 51.706 52.037 -0.416 0.000 0.875 119 A CB 0.225 18.630 19.000 -0.991 0.000 0.929 119 A HN 0.335 nan 8.150 nan 0.000 0.502 120 Q N 0.064 119.850 119.800 -0.023 0.000 2.225 120 Q HA 0.047 4.387 4.340 -0.000 0.000 0.222 120 Q C 0.964 177.080 176.000 0.193 0.000 0.887 120 Q CA -0.198 55.620 55.803 0.024 0.000 0.958 120 Q CB 0.034 28.751 28.738 -0.035 0.000 1.058 120 Q HN 0.778 nan 8.270 nan 0.000 0.459 121 R N -0.940 119.728 120.500 0.280 0.000 2.340 121 R HA 0.015 4.355 4.340 -0.000 0.000 0.215 121 R C 0.258 176.698 176.300 0.233 0.000 1.017 121 R CA 0.259 56.491 56.100 0.219 0.000 1.111 121 R CB -0.294 30.123 30.300 0.194 0.000 1.049 121 R HN 0.035 nan 8.270 nan 0.000 0.490 122 F N 1.411 121.374 119.950 0.021 0.000 2.773 122 F HA -0.003 4.524 4.527 -0.000 0.000 0.299 122 F C 1.342 177.153 175.800 0.019 0.000 1.204 122 F CA 0.271 58.282 58.000 0.019 0.000 1.454 122 F CB -0.366 38.634 39.000 -0.001 0.000 1.117 122 F HN 0.176 nan 8.300 nan 0.000 0.590 123 N N 0.034 118.834 118.700 0.167 0.000 2.173 123 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 123 N C 1.911 177.457 175.510 0.060 0.000 1.025 123 N CA 1.214 54.322 53.050 0.098 0.000 0.852 123 N CB -0.581 37.953 38.487 0.078 0.000 0.998 123 N HN 0.410 nan 8.380 nan 0.000 0.427 124 Q N 0.367 120.196 119.800 0.049 0.000 2.292 124 Q HA 0.529 4.869 4.340 -0.000 0.000 0.235 124 Q C 0.854 176.843 176.000 -0.018 0.000 0.910 124 Q CA 0.614 56.428 55.803 0.019 0.000 0.952 124 Q CB -0.722 28.030 28.738 0.024 0.000 1.089 124 Q HN 0.445 nan 8.270 nan 0.000 0.431 125 A N -2.759 120.050 122.820 -0.019 0.000 2.665 125 A HA 0.585 4.905 4.320 -0.000 0.000 0.268 125 A C 0.838 178.416 177.584 -0.011 0.000 1.044 125 A CA 1.555 53.558 52.037 -0.057 0.000 0.993 125 A CB -0.439 18.458 19.000 -0.171 0.000 1.229 125 A HN 2.007 nan 8.150 nan 0.000 0.576 134 V N 1.584 121.509 119.914 0.019 0.000 2.232 134 V HA -0.015 4.105 4.120 -0.000 0.000 0.237 134 V C 2.198 178.310 176.094 0.029 0.000 1.035 134 V CA 1.801 64.113 62.300 0.020 0.000 0.988 134 V CB -1.010 30.824 31.823 0.018 0.000 0.636 134 V HN 0.343 nan 8.190 nan 0.000 0.456 135 M N 0.462 120.084 119.600 0.038 0.000 2.388 135 M HA 0.066 4.546 4.480 -0.000 0.000 0.265 135 M C 2.610 178.950 176.300 0.066 0.000 1.088 135 M CA 1.673 57.007 55.300 0.057 0.000 1.134 135 M CB -0.586 32.054 32.600 0.067 0.000 1.384 135 M HN 0.558 nan 8.290 nan 0.000 0.447 136 L N 0.088 121.341 121.223 0.051 0.000 2.051 136 L HA -0.266 4.074 4.340 -0.000 0.000 0.214 136 L C 1.884 178.787 176.870 0.056 0.000 1.076 136 L CA 2.749 57.620 54.840 0.051 0.000 0.758 136 L CB -1.834 40.246 42.059 0.035 0.000 0.890 136 L HN 0.282 nan 8.230 nan 0.000 0.433 137 D N -1.258 119.168 120.400 0.043 0.000 2.120 137 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 137 D C 2.158 178.482 176.300 0.041 0.000 0.972 137 D CA 1.242 55.264 54.000 0.036 0.000 0.837 137 D CB -0.125 40.689 40.800 0.022 0.000 0.989 137 D HN 0.596 nan 8.370 nan 0.000 0.469 138 K N 0.556 120.981 120.400 0.042 0.000 2.015 138 K HA -0.251 4.069 4.320 -0.000 0.000 0.216 138 K C 2.569 179.209 176.600 0.065 0.000 1.052 138 K CA 2.197 58.505 56.287 0.035 0.000 0.937 138 K CB -0.374 32.153 32.500 0.044 0.000 0.719 138 K HN 0.163 nan 8.250 nan 0.000 0.446 139 Q N 0.828 120.718 119.800 0.149 0.000 2.181 139 Q HA -0.241 4.099 4.340 -0.000 0.000 0.205 139 Q C 2.159 178.317 176.000 0.264 0.000 0.980 139 Q CA 2.647 58.631 55.803 0.301 0.000 0.862 139 Q CB -1.148 27.753 28.738 0.271 0.000 0.905 139 Q HN 0.567 nan 8.270 nan 0.000 0.429 140 K N 0.699 121.184 120.400 0.142 0.000 2.057 140 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 140 K C 1.996 178.637 176.600 0.068 0.000 1.050 140 K CA 1.767 58.117 56.287 0.106 0.000 0.935 140 K CB -0.460 32.080 32.500 0.066 0.000 0.715 140 K HN 0.673 nan 8.250 nan 0.000 0.439 141 E N 0.414 120.628 120.200 0.023 0.000 2.031 141 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 141 E C 1.919 178.471 176.600 -0.080 0.000 0.994 141 E CA 1.236 57.620 56.400 -0.027 0.000 0.800 141 E CB -0.450 29.221 29.700 -0.048 0.000 0.752 141 E HN 0.288 nan 8.360 nan 0.000 0.447 142 L N 1.458 122.580 121.223 -0.169 0.000 2.021 142 L HA -0.227 4.113 4.340 -0.000 0.000 0.215 142 L C 1.633 178.352 176.870 -0.252 0.000 1.074 142 L CA 2.295 56.886 54.840 -0.414 0.000 0.760 142 L CB -0.865 40.597 42.059 -0.996 0.000 0.889 142 L HN 0.214 nan 8.230 nan 0.000 0.433 143 D N -1.507 118.939 120.400 0.077 0.000 2.182 143 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 143 D C 2.227 178.580 176.300 0.088 0.000 0.986 143 D CA 1.463 55.612 54.000 0.250 0.000 0.847 143 D CB 0.059 41.026 40.800 0.278 0.000 0.942 143 D HN 0.424 nan 8.370 nan 0.000 0.467 144 S N 0.156 115.870 115.700 0.024 0.000 2.335 144 S HA -0.104 4.366 4.470 -0.000 0.000 0.217 144 S C 1.807 176.389 174.600 -0.029 0.000 1.032 144 S CA 0.868 59.069 58.200 0.002 0.000 0.985 144 S CB 0.162 63.358 63.200 -0.007 0.000 0.896 144 S HN 0.101 nan 8.310 nan 0.000 0.445 145 K N 0.502 120.859 120.400 -0.072 0.000 2.020 145 K HA -0.097 4.223 4.320 -0.000 0.000 0.212 145 K C 2.070 178.621 176.600 -0.081 0.000 1.050 145 K CA 1.714 57.948 56.287 -0.089 0.000 0.929 145 K CB -0.686 31.733 32.500 -0.135 0.000 0.714 145 K HN 0.231 nan 8.250 nan 0.000 0.443 146 V N 1.442 121.295 119.914 -0.102 0.000 2.231 146 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 146 V C 2.474 178.569 176.094 0.002 0.000 1.054 146 V CA 2.148 64.417 62.300 -0.052 0.000 1.015 146 V CB -0.573 31.249 31.823 -0.001 0.000 0.638 146 V HN 0.369 nan 8.190 nan 0.000 0.444 147 R N 0.247 120.763 120.500 0.027 0.000 2.117 147 R HA -0.273 4.067 4.340 -0.000 0.000 0.243 147 R C 2.183 178.487 176.300 0.007 0.000 1.143 147 R CA 2.355 58.473 56.100 0.030 0.000 0.968 147 R CB -0.447 29.875 30.300 0.036 0.000 0.863 147 R HN 0.658 nan 8.270 nan 0.000 0.444 148 N N 0.039 118.733 118.700 -0.009 0.000 2.013 148 N HA -0.167 4.573 4.740 -0.000 0.000 0.195 148 N C 1.721 177.219 175.510 -0.020 0.000 1.051 148 N CA 2.234 55.273 53.050 -0.018 0.000 0.851 148 N CB -0.458 38.011 38.487 -0.030 0.000 1.044 148 N HN 0.066 nan 8.380 nan 0.000 0.422 149 V N 1.480 121.377 119.914 -0.030 0.000 2.252 149 V HA -0.359 3.761 4.120 -0.000 0.000 0.255 149 V C 2.533 178.619 176.094 -0.014 0.000 1.071 149 V CA 2.383 64.665 62.300 -0.030 0.000 1.050 149 V CB -0.867 30.933 31.823 -0.039 0.000 0.654 149 V HN 0.521 nan 8.190 nan 0.000 0.448 150 K N -0.058 120.341 120.400 -0.002 0.000 1.977 150 K HA -0.295 4.025 4.320 -0.000 0.000 0.218 150 K C 1.929 178.534 176.600 0.008 0.000 1.051 150 K CA 2.450 58.743 56.287 0.010 0.000 0.953 150 K CB -0.590 31.923 32.500 0.022 0.000 0.727 150 K HN 0.516 nan 8.250 nan 0.000 0.445 151 D N 0.785 121.189 120.400 0.007 0.000 2.133 151 D HA -0.196 4.444 4.640 -0.000 0.000 0.192 151 D C 1.944 178.246 176.300 0.002 0.000 1.001 151 D CA 1.434 55.437 54.000 0.005 0.000 0.844 151 D CB -0.204 40.596 40.800 -0.000 0.000 0.944 151 D HN 0.363 nan 8.370 nan 0.000 0.447 152 K N 0.441 120.837 120.400 -0.007 0.000 2.063 152 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 152 K C 2.303 178.902 176.600 -0.003 0.000 1.048 152 K CA 0.617 56.897 56.287 -0.012 0.000 0.928 152 K CB -0.225 32.258 32.500 -0.027 0.000 0.713 152 K HN 0.047 nan 8.250 nan 0.000 0.442 153 V N 1.818 121.732 119.914 -0.000 0.000 2.255 153 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 153 V C 2.402 178.509 176.094 0.022 0.000 1.051 153 V CA 1.718 64.021 62.300 0.005 0.000 1.018 153 V CB -0.372 31.452 31.823 0.003 0.000 0.641 153 V HN 0.386 nan 8.190 nan 0.000 0.445 154 M N -0.820 118.798 119.600 0.030 0.000 2.149 154 M HA -0.265 4.215 4.480 -0.000 0.000 0.261 154 M C 2.368 178.717 176.300 0.083 0.000 1.064 154 M CA 2.271 57.604 55.300 0.055 0.000 1.102 154 M CB -0.490 32.142 32.600 0.054 0.000 1.369 154 M HN 0.609 nan 8.290 nan 0.000 0.408 155 C N 0.543 119.874 119.300 0.051 0.000 2.413 155 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 155 C C 2.493 177.530 174.990 0.077 0.000 1.248 155 C CA 0.886 59.934 59.018 0.050 0.000 1.742 155 C CB -1.006 26.739 27.740 0.009 0.000 2.017 155 C HN 0.589 nan 8.230 nan 0.000 0.481 156 I N 0.558 121.158 120.570 0.051 0.000 2.113 156 I HA -0.191 3.979 4.170 -0.000 0.000 0.238 156 I C 2.713 178.868 176.117 0.062 0.000 1.070 156 I CA 2.124 63.453 61.300 0.047 0.000 1.332 156 I CB -0.871 37.144 38.000 0.025 0.000 1.044 156 I HN 0.470 nan 8.210 nan 0.000 0.402 157 E N 0.264 120.496 120.200 0.053 0.000 2.233 157 E HA -0.327 4.023 4.350 -0.000 0.000 0.199 157 E C 2.086 178.703 176.600 0.028 0.000 1.004 157 E CA 1.454 57.874 56.400 0.032 0.000 0.819 157 E CB -0.132 29.581 29.700 0.022 0.000 0.738 157 E HN 0.546 nan 8.360 nan 0.000 0.478 158 H N 0.087 119.162 119.070 0.009 0.000 2.448 158 H HA 0.046 4.602 4.556 -0.000 0.000 0.292 158 H C 1.565 176.901 175.328 0.014 0.000 1.035 158 H CA 1.126 57.180 56.048 0.010 0.000 1.349 158 H CB 0.464 30.230 29.762 0.008 0.000 1.425 158 H HN 0.321 nan 8.280 nan 0.000 0.539 159 E N -0.078 120.214 120.200 0.154 0.000 2.170 159 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 159 E C 2.261 178.901 176.600 0.067 0.000 0.981 159 E CA 0.004 56.468 56.400 0.108 0.000 0.830 159 E CB 0.481 30.232 29.700 0.086 0.000 0.775 159 E HN 0.320 nan 8.360 nan 0.000 0.470 160 I N 1.917 122.516 120.570 0.049 0.000 2.208 160 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 160 I C 2.796 178.922 176.117 0.015 0.000 1.097 160 I CA 1.823 63.142 61.300 0.032 0.000 1.363 160 I CB -1.171 36.843 38.000 0.023 0.000 1.051 160 I HN 0.096 nan 8.210 nan 0.000 0.413 161 K N 0.482 120.874 120.400 -0.013 0.000 2.097 161 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 161 K C 2.223 178.818 176.600 -0.010 0.000 1.049 161 K CA 1.829 58.092 56.287 -0.040 0.000 0.933 161 K CB -1.118 31.308 32.500 -0.123 0.000 0.717 161 K HN 0.336 nan 8.250 nan 0.000 0.442 162 S N 0.247 115.961 115.700 0.023 0.000 2.406 162 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 162 S C 1.937 176.562 174.600 0.042 0.000 1.020 162 S CA 0.969 59.195 58.200 0.044 0.000 0.965 162 S CB -0.167 63.079 63.200 0.076 0.000 0.798 162 S HN 0.417 nan 8.310 nan 0.000 0.488 163 L N 2.171 123.421 121.223 0.045 0.000 2.027 163 L HA 0.015 4.355 4.340 -0.000 0.000 0.206 163 L C 2.264 179.157 176.870 0.037 0.000 1.074 163 L CA 1.875 56.746 54.840 0.050 0.000 0.745 163 L CB -0.812 41.281 42.059 0.056 0.000 0.898 163 L HN 0.290 nan 8.230 nan 0.000 0.433 164 E N -0.902 119.313 120.200 0.025 0.000 2.085 164 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 164 E C 1.664 178.269 176.600 0.009 0.000 0.994 164 E CA 1.516 57.925 56.400 0.014 0.000 0.801 164 E CB 0.008 29.711 29.700 0.005 0.000 0.743 164 E HN 0.542 nan 8.360 nan 0.000 0.453 165 D N 0.642 121.048 120.400 0.009 0.000 2.097 165 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 165 D C 2.164 178.477 176.300 0.021 0.000 0.984 165 D CA 0.622 54.625 54.000 0.006 0.000 0.826 165 D CB -0.332 40.468 40.800 0.001 0.000 0.973 165 D HN 0.238 nan 8.370 nan 0.000 0.460 166 L N 0.693 121.939 121.223 0.038 0.000 1.971 166 L HA -0.287 4.053 4.340 -0.000 0.000 0.215 166 L C 2.698 179.620 176.870 0.088 0.000 1.072 166 L CA 1.566 56.446 54.840 0.067 0.000 0.758 166 L CB -0.417 41.690 42.059 0.081 0.000 0.889 166 L HN 0.116 nan 8.230 nan 0.000 0.433 167 Q N -0.286 119.530 119.800 0.027 0.000 2.133 167 Q HA -0.278 4.062 4.340 -0.000 0.000 0.208 167 Q C 1.768 177.741 176.000 -0.046 0.000 0.991 167 Q CA 2.277 58.026 55.803 -0.088 0.000 0.867 167 Q CB 0.025 28.708 28.738 -0.091 0.000 0.911 167 Q HN 0.510 nan 8.270 nan 0.000 0.417 168 D N -0.087 120.317 120.400 0.007 0.000 2.097 168 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 168 D C 1.753 178.108 176.300 0.091 0.000 0.989 168 D CA 1.289 55.308 54.000 0.032 0.000 0.827 168 D CB -0.122 40.684 40.800 0.009 0.000 0.966 168 D HN 0.435 nan 8.370 nan 0.000 0.456 169 E N 0.189 120.439 120.200 0.083 0.000 2.012 169 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 169 E C 2.121 178.856 176.600 0.226 0.000 1.007 169 E CA 0.702 57.172 56.400 0.116 0.000 0.816 169 E CB -0.509 29.230 29.700 0.066 0.000 0.762 169 E HN 0.425 nan 8.360 nan 0.000 0.451 170 Y N 2.012 122.306 120.300 -0.010 0.000 2.029 170 Y HA -0.419 4.131 4.550 -0.000 0.000 0.269 170 Y C 2.327 178.180 175.900 -0.078 0.000 1.201 170 Y CA 2.027 60.078 58.100 -0.081 0.000 1.115 170 Y CB -0.214 38.148 38.460 -0.163 0.000 0.945 170 Y HN 0.137 nan 8.280 nan 0.000 0.497 171 D N -0.484 120.049 120.400 0.223 0.000 2.108 171 D HA -0.328 4.312 4.640 -0.000 0.000 0.190 171 D C 2.015 178.405 176.300 0.150 0.000 0.995 171 D CA 2.020 56.075 54.000 0.092 0.000 0.834 171 D CB -0.777 40.030 40.800 0.011 0.000 0.967 171 D HN 0.413 nan 8.370 nan 0.000 0.446 172 F N 0.986 120.956 119.950 0.034 0.000 2.111 172 F HA -0.245 4.282 4.527 -0.000 0.000 0.300 172 F C 2.251 178.064 175.800 0.022 0.000 1.088 172 F CA 2.097 60.110 58.000 0.022 0.000 1.243 172 F CB -0.258 38.751 39.000 0.015 0.000 0.996 172 F HN -0.059 nan 8.300 nan 0.000 0.483 173 K N -0.611 119.888 120.400 0.165 0.000 2.057 173 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 173 K C 2.227 178.800 176.600 -0.045 0.000 1.050 173 K CA 1.627 57.934 56.287 0.034 0.000 0.935 173 K CB -0.512 32.014 32.500 0.042 0.000 0.715 173 K HN 0.397 nan 8.250 nan 0.000 0.439 174 C N 1.107 120.412 119.300 0.010 0.000 2.442 174 C HA -0.061 4.399 4.460 -0.000 0.000 0.279 174 C C 2.348 177.316 174.990 -0.037 0.000 1.237 174 C CA 0.872 59.898 59.018 0.014 0.000 1.722 174 C CB -0.642 27.157 27.740 0.098 0.000 2.056 174 C HN 0.528 nan 8.230 nan 0.000 0.469 175 K N 0.189 120.552 120.400 -0.062 0.000 2.089 175 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 175 K C 1.946 178.447 176.600 -0.165 0.000 1.048 175 K CA 2.106 58.329 56.287 -0.105 0.000 0.926 175 K CB -0.612 31.808 32.500 -0.132 0.000 0.714 175 K HN 0.511 nan 8.250 nan 0.000 0.448 176 T N 1.954 116.348 114.554 -0.267 0.000 2.684 176 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 176 T C 1.861 176.482 174.700 -0.133 0.000 1.036 176 T CA 1.188 63.132 62.100 -0.261 0.000 1.148 176 T CB -0.202 68.466 68.868 -0.332 0.000 0.863 176 T HN 0.120 nan 8.240 nan 0.000 0.436 177 L N 1.134 122.301 121.223 -0.094 0.000 1.961 177 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 177 L C 2.377 179.221 176.870 -0.042 0.000 1.072 177 L CA 1.381 56.189 54.840 -0.054 0.000 0.749 177 L CB -0.822 41.216 42.059 -0.034 0.000 0.889 177 L HN 0.445 nan 8.230 nan 0.000 0.432 178 Q N 0.105 119.884 119.800 -0.034 0.000 2.336 178 Q HA -0.016 4.324 4.340 -0.000 0.000 0.231 178 Q C -0.052 175.929 176.000 -0.031 0.000 0.900 178 Q CA 0.313 56.104 55.803 -0.021 0.000 0.966 178 Q CB -0.241 28.495 28.738 -0.004 0.000 1.219 178 Q HN 0.430 nan 8.270 nan 0.000 0.412 179 N N 0.204 118.877 118.700 -0.044 0.000 2.036 179 N HA 0.146 4.885 4.740 -0.000 0.000 0.224 179 N C -0.867 174.618 175.510 -0.042 0.000 1.381 179 N CA -0.103 52.920 53.050 -0.045 0.000 0.746 179 N CB 0.864 39.311 38.487 -0.067 0.000 1.213 179 N HN 0.225 nan 8.380 nan 0.000 0.524 180 R N 1.169 121.647 120.500 -0.037 0.000 2.607 180 R HA 0.549 4.889 4.340 -0.000 0.000 0.261 180 R C 0.533 176.821 176.300 -0.020 0.000 1.051 180 R CA -0.137 55.945 56.100 -0.030 0.000 1.110 180 R CB 0.768 31.050 30.300 -0.030 0.000 1.158 180 R HN 0.152 nan 8.270 nan 0.000 0.543 189 K N -0.420 119.978 120.400 -0.004 0.000 2.207 189 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 189 K C 2.287 178.885 176.600 -0.004 0.000 1.046 189 K CA 3.106 59.391 56.287 -0.004 0.000 0.929 189 K CB -1.627 30.871 32.500 -0.004 0.000 0.720 189 K HN 1.752 nan 8.250 nan 0.000 0.463 190 S N 0.968 116.666 115.700 -0.004 0.000 2.369 190 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 190 S C 2.390 176.987 174.600 -0.004 0.000 1.043 190 S CA 2.672 60.869 58.200 -0.004 0.000 1.074 190 S CB -1.366 61.832 63.200 -0.003 0.000 0.962 190 S HN 0.928 nan 8.310 nan 0.000 0.433 191 D N -0.560 119.838 120.400 -0.004 0.000 2.218 191 D HA 0.162 4.802 4.640 -0.000 0.000 0.204 191 D C 2.182 178.479 176.300 -0.005 0.000 0.976 191 D CA 2.314 56.312 54.000 -0.004 0.000 0.853 191 D CB -1.173 39.624 40.800 -0.004 0.000 0.939 191 D HN 0.831 nan 8.370 nan 0.000 0.481 192 Q N -0.107 119.690 119.800 -0.005 0.000 2.331 192 Q HA 0.035 4.375 4.340 -0.000 0.000 0.203 192 Q C 2.110 178.107 176.000 -0.006 0.000 0.944 192 Q CA 0.954 56.754 55.803 -0.006 0.000 0.892 192 Q CB -0.425 28.309 28.738 -0.006 0.000 0.983 192 Q HN 0.445 nan 8.270 nan 0.000 0.482 193 K N 0.355 120.752 120.400 -0.005 0.000 2.555 193 K HA -0.056 4.263 4.320 -0.000 0.000 0.193 193 K C 1.643 178.240 176.600 -0.004 0.000 1.032 193 K CA 0.606 56.891 56.287 -0.005 0.000 1.004 193 K CB 0.230 32.728 32.500 -0.004 0.000 0.804 193 K HN 0.673 nan 8.250 nan 0.000 0.496 194 Q N 1.476 121.273 119.800 -0.005 0.000 2.541 194 Q HA -0.126 4.214 4.340 -0.000 0.000 0.215 194 Q C 1.426 177.423 176.000 -0.005 0.000 0.977 194 Q CA 0.558 56.358 55.803 -0.005 0.000 0.934 194 Q CB 0.176 28.911 28.738 -0.006 0.000 0.988 194 Q HN 0.406 nan 8.270 nan 0.000 0.521 195 E N -0.414 119.782 120.200 -0.006 0.000 2.401 195 E HA -0.273 4.077 4.350 -0.000 0.000 0.199 195 E C 1.516 178.113 176.600 -0.005 0.000 1.023 195 E CA 0.722 57.117 56.400 -0.008 0.000 0.859 195 E CB -0.188 29.506 29.700 -0.010 0.000 0.780 195 E HN 0.438 nan 8.360 nan 0.000 0.523 196 Q N 0.738 120.538 119.800 0.001 0.000 2.325 196 Q HA -0.159 4.181 4.340 -0.000 0.000 0.211 196 Q C 2.135 178.145 176.000 0.017 0.000 0.988 196 Q CA 1.290 57.100 55.803 0.011 0.000 0.887 196 Q CB -0.123 28.617 28.738 0.004 0.000 0.915 196 Q HN 0.484 nan 8.270 nan 0.000 0.440 197 L N -0.465 120.760 121.223 0.004 0.000 2.217 197 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 197 L C 1.814 178.683 176.870 -0.002 0.000 1.107 197 L CA 0.199 55.042 54.840 0.004 0.000 0.783 197 L CB -0.309 41.748 42.059 -0.003 0.000 0.919 197 L HN 0.247 nan 8.230 nan 0.000 0.442 198 L N -0.414 120.800 121.223 -0.017 0.000 2.353 198 L HA -0.166 4.174 4.340 -0.000 0.000 0.220 198 L C 2.185 179.008 176.870 -0.078 0.000 1.133 198 L CA 1.563 56.375 54.840 -0.046 0.000 0.798 198 L CB -0.694 41.337 42.059 -0.047 0.000 0.922 198 L HN 0.218 nan 8.230 nan 0.000 0.445 199 L N -1.367 119.844 121.223 -0.019 0.000 2.200 199 L HA -0.056 4.284 4.340 -0.000 0.000 0.200 199 L C 2.463 179.452 176.870 0.199 0.000 1.072 199 L CA 0.472 55.322 54.840 0.017 0.000 0.787 199 L CB -0.521 41.657 42.059 0.199 0.000 0.957 199 L HN 0.146 nan 8.230 nan 0.000 0.459 200 K N 0.913 121.423 120.400 0.184 0.000 2.127 200 K HA -0.292 4.028 4.320 -0.000 0.000 0.208 200 K C 2.179 178.864 176.600 0.141 0.000 1.047 200 K CA 1.788 58.174 56.287 0.164 0.000 0.927 200 K CB 0.103 32.627 32.500 0.041 0.000 0.716 200 K HN -0.063 nan 8.250 nan 0.000 0.450 201 K N 0.577 121.003 120.400 0.043 0.000 2.007 201 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 201 K C 2.072 178.642 176.600 -0.051 0.000 1.047 201 K CA 1.442 57.726 56.287 -0.005 0.000 0.937 201 K CB -0.194 32.283 32.500 -0.039 0.000 0.718 201 K HN 0.094 nan 8.250 nan 0.000 0.438 202 M N -0.255 119.216 119.600 -0.214 0.000 2.106 202 M HA -0.226 4.254 4.480 -0.000 0.000 0.259 202 M C 1.884 178.056 176.300 -0.214 0.000 1.068 202 M CA 1.764 56.760 55.300 -0.508 0.000 1.100 202 M CB -0.598 31.192 32.600 -1.349 0.000 1.351 202 M HN 0.179 nan 8.290 nan 0.000 0.404 203 Y N -0.264 120.052 120.300 0.027 0.000 2.114 203 Y HA -0.226 4.324 4.550 -0.000 0.000 0.284 203 Y C 2.346 178.295 175.900 0.082 0.000 1.143 203 Y CA 1.071 59.277 58.100 0.178 0.000 1.135 203 Y CB -0.728 37.773 38.460 0.070 0.000 0.980 203 Y HN 0.127 nan 8.280 nan 0.000 0.499 204 L N -0.213 121.119 121.223 0.182 0.000 2.263 204 L HA -0.272 4.068 4.340 -0.000 0.000 0.216 204 L C 1.879 178.805 176.870 0.094 0.000 1.111 204 L CA 1.740 56.642 54.840 0.104 0.000 0.773 204 L CB -0.552 41.547 42.059 0.066 0.000 0.906 204 L HN 0.398 nan 8.230 nan 0.000 0.439 205 M N -1.069 118.586 119.600 0.091 0.000 2.081 205 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 205 M C 2.360 178.733 176.300 0.122 0.000 1.075 205 M CA 1.371 56.722 55.300 0.085 0.000 1.133 205 M CB -0.974 31.660 32.600 0.056 0.000 1.330 205 M HN 0.199 nan 8.290 nan 0.000 0.414 206 L N 0.113 121.435 121.223 0.166 0.000 1.997 206 L HA -0.305 4.035 4.340 -0.000 0.000 0.216 206 L C 2.192 179.186 176.870 0.207 0.000 1.074 206 L CA 2.035 56.982 54.840 0.177 0.000 0.763 206 L CB -0.872 41.289 42.059 0.170 0.000 0.890 206 L HN 0.345 nan 8.230 nan 0.000 0.434 207 D N -0.021 120.510 120.400 0.217 0.000 2.106 207 D HA -0.230 4.410 4.640 -0.000 0.000 0.191 207 D C 1.798 178.207 176.300 0.181 0.000 0.997 207 D CA 2.054 56.202 54.000 0.247 0.000 0.834 207 D CB -0.081 40.808 40.800 0.148 0.000 0.956 207 D HN 0.313 nan 8.370 nan 0.000 0.448 208 N N -0.970 117.808 118.700 0.130 0.000 2.084 208 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 208 N C 1.640 177.211 175.510 0.101 0.000 1.030 208 N CA 0.782 53.892 53.050 0.100 0.000 0.849 208 N CB 0.089 38.622 38.487 0.076 0.000 1.012 208 N HN 0.070 nan 8.380 nan 0.000 0.423 209 K N 1.378 121.841 120.400 0.106 0.000 2.097 209 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 209 K C 1.958 178.622 176.600 0.107 0.000 1.049 209 K CA 0.980 57.325 56.287 0.098 0.000 0.933 209 K CB -0.311 32.245 32.500 0.094 0.000 0.717 209 K HN 0.286 nan 8.250 nan 0.000 0.442 210 R N 1.076 121.654 120.500 0.130 0.000 2.070 210 R HA -0.052 4.288 4.340 -0.000 0.000 0.233 210 R C 2.386 178.754 176.300 0.113 0.000 1.137 210 R CA 1.362 57.538 56.100 0.125 0.000 0.945 210 R CB -0.233 30.162 30.300 0.160 0.000 0.845 210 R HN 0.180 nan 8.270 nan 0.000 0.430 211 K N 0.599 121.072 120.400 0.120 0.000 2.089 211 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 211 K C 2.071 178.736 176.600 0.108 0.000 1.048 211 K CA 1.755 58.102 56.287 0.100 0.000 0.926 211 K CB -0.120 32.430 32.500 0.084 0.000 0.714 211 K HN 0.246 nan 8.250 nan 0.000 0.448 212 E N 0.473 120.739 120.200 0.110 0.000 2.012 212 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 212 E C 1.959 178.638 176.600 0.132 0.000 1.007 212 E CA 1.596 58.074 56.400 0.130 0.000 0.816 212 E CB 0.056 29.818 29.700 0.103 0.000 0.762 212 E HN 0.021 nan 8.360 nan 0.000 0.451 213 V N 0.431 120.405 119.914 0.100 0.000 2.252 213 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 213 V C 2.417 178.562 176.094 0.085 0.000 1.056 213 V CA 1.821 64.169 62.300 0.081 0.000 1.022 213 V CB -0.606 31.260 31.823 0.072 0.000 0.641 213 V HN 0.235 nan 8.190 nan 0.000 0.445 214 V N -0.286 119.686 119.914 0.097 0.000 2.282 214 V HA -0.379 3.741 4.120 -0.000 0.000 0.249 214 V C 2.324 178.498 176.094 0.133 0.000 1.057 214 V CA 2.636 64.995 62.300 0.098 0.000 1.032 214 V CB -1.032 30.846 31.823 0.091 0.000 0.645 214 V HN 0.730 nan 8.190 nan 0.000 0.447 215 H N 0.564 119.654 119.070 0.033 0.000 2.265 215 H HA -0.214 4.342 4.556 -0.000 0.000 0.295 215 H C 2.519 177.860 175.328 0.021 0.000 1.084 215 H CA 2.177 58.240 56.048 0.026 0.000 1.261 215 H CB 0.102 29.880 29.762 0.026 0.000 1.360 215 H HN 0.378 nan 8.280 nan 0.000 0.487 216 K N 0.276 120.637 120.400 -0.065 0.000 2.032 216 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 216 K C 2.365 178.921 176.600 -0.073 0.000 1.048 216 K CA 1.694 57.896 56.287 -0.140 0.000 0.927 216 K CB -0.125 32.339 32.500 -0.059 0.000 0.712 216 K HN 0.387 nan 8.250 nan 0.000 0.441 217 I N 1.041 121.604 120.570 -0.012 0.000 2.264 217 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 217 I C 2.280 178.394 176.117 -0.005 0.000 1.111 217 I CA 1.254 62.553 61.300 -0.000 0.000 1.382 217 I CB -0.312 37.704 38.000 0.026 0.000 1.060 217 I HN 0.157 nan 8.210 nan 0.000 0.418 218 I N 0.347 120.922 120.570 0.008 0.000 2.141 218 I HA -0.267 3.903 4.170 -0.000 0.000 0.236 218 I C 2.649 178.756 176.117 -0.017 0.000 1.071 218 I CA 1.302 62.613 61.300 0.018 0.000 1.345 218 I CB -0.507 37.534 38.000 0.068 0.000 1.066 218 I HN 0.239 nan 8.210 nan 0.000 0.406 219 E N 1.516 121.678 120.200 -0.064 0.000 2.086 219 E HA -0.321 4.028 4.350 -0.000 0.000 0.205 219 E C 2.349 178.906 176.600 -0.072 0.000 1.027 219 E CA 2.002 58.342 56.400 -0.100 0.000 0.830 219 E CB -0.234 29.323 29.700 -0.239 0.000 0.751 219 E HN 0.440 nan 8.360 nan 0.000 0.456 220 L N 0.571 121.751 121.223 -0.072 0.000 1.990 220 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 220 L C 2.572 179.416 176.870 -0.044 0.000 1.072 220 L CA 1.462 56.270 54.840 -0.054 0.000 0.755 220 L CB -0.321 41.712 42.059 -0.043 0.000 0.889 220 L HN 0.325 nan 8.230 nan 0.000 0.432 221 L N -0.163 121.040 121.223 -0.034 0.000 1.971 221 L HA -0.319 4.021 4.340 -0.000 0.000 0.215 221 L C 2.526 179.375 176.870 -0.035 0.000 1.072 221 L CA 1.879 56.701 54.840 -0.031 0.000 0.758 221 L CB -1.137 40.911 42.059 -0.018 0.000 0.889 221 L HN 0.473 nan 8.230 nan 0.000 0.433 222 N N -0.046 118.638 118.700 -0.028 0.000 2.027 222 N HA -0.221 4.519 4.740 -0.000 0.000 0.200 222 N C 1.774 177.259 175.510 -0.041 0.000 1.042 222 N CA 1.820 54.853 53.050 -0.028 0.000 0.871 222 N CB -0.841 37.634 38.487 -0.019 0.000 1.063 222 N HN 0.128 nan 8.380 nan 0.000 0.438 223 V N 1.668 121.554 119.914 -0.047 0.000 2.217 223 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 223 V C 2.420 178.474 176.094 -0.067 0.000 1.050 223 V CA 2.436 64.703 62.300 -0.056 0.000 1.007 223 V CB -1.286 30.503 31.823 -0.057 0.000 0.639 223 V HN 0.406 nan 8.190 nan 0.000 0.452 224 T N -0.460 114.054 114.554 -0.066 0.000 2.602 224 T HA -0.402 3.948 4.350 -0.000 0.000 0.264 224 T C 1.812 176.458 174.700 -0.090 0.000 1.085 224 T CA 2.453 64.506 62.100 -0.077 0.000 1.164 224 T CB -0.506 68.324 68.868 -0.063 0.000 0.860 224 T HN 0.722 nan 8.240 nan 0.000 0.442 225 E N 0.740 120.895 120.200 -0.074 0.000 2.049 225 E HA -0.190 4.159 4.350 -0.000 0.000 0.198 225 E C 2.342 178.892 176.600 -0.085 0.000 1.007 225 E CA 1.568 57.923 56.400 -0.076 0.000 0.809 225 E CB -0.366 29.302 29.700 -0.054 0.000 0.749 225 E HN 0.560 nan 8.360 nan 0.000 0.450 226 L N 0.772 121.951 121.223 -0.074 0.000 2.013 226 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 226 L C 2.779 179.587 176.870 -0.103 0.000 1.073 226 L CA 2.543 57.337 54.840 -0.076 0.000 0.753 226 L CB -0.771 41.250 42.059 -0.064 0.000 0.890 226 L HN 0.356 nan 8.230 nan 0.000 0.432 227 T N -2.239 112.243 114.554 -0.119 0.000 2.904 227 T HA -0.264 4.086 4.350 -0.000 0.000 0.267 227 T C 1.849 176.431 174.700 -0.197 0.000 1.059 227 T CA 1.534 63.538 62.100 -0.161 0.000 1.137 227 T CB -0.292 68.478 68.868 -0.164 0.000 0.879 227 T HN 0.643 nan 8.240 nan 0.000 0.467 228 Q N 0.369 120.062 119.800 -0.180 0.000 2.167 228 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 228 Q C 2.064 177.953 176.000 -0.186 0.000 0.970 228 Q CA 1.782 57.455 55.803 -0.218 0.000 0.855 228 Q CB -0.225 28.399 28.738 -0.190 0.000 0.911 228 Q HN 0.611 nan 8.270 nan 0.000 0.438 229 N N 0.292 118.911 118.700 -0.134 0.000 2.084 229 N HA -0.147 4.592 4.740 -0.000 0.000 0.190 229 N C 1.523 176.974 175.510 -0.098 0.000 1.030 229 N CA 1.578 54.569 53.050 -0.098 0.000 0.849 229 N CB -0.358 38.084 38.487 -0.076 0.000 1.012 229 N HN 0.384 nan 8.380 nan 0.000 0.423 230 A N 0.828 123.573 122.820 -0.125 0.000 1.845 230 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 230 A C 2.133 179.636 177.584 -0.135 0.000 1.195 230 A CA 1.353 53.312 52.037 -0.130 0.000 0.616 230 A CB -1.125 17.770 19.000 -0.174 0.000 0.832 230 A HN 0.289 nan 8.150 nan 0.000 0.443 231 L N 0.090 121.188 121.223 -0.209 0.000 1.997 231 L HA -0.204 4.136 4.340 -0.000 0.000 0.216 231 L C 2.208 179.062 176.870 -0.028 0.000 1.074 231 L CA 2.262 56.993 54.840 -0.182 0.000 0.763 231 L CB -0.487 41.371 42.059 -0.336 0.000 0.890 231 L HN 0.478 nan 8.230 nan 0.000 0.434 232 I N -0.623 119.905 120.570 -0.069 0.000 2.584 232 I HA -0.147 4.023 4.170 -0.000 0.000 0.255 232 I C 1.590 177.746 176.117 0.064 0.000 1.145 232 I CA 0.749 62.081 61.300 0.055 0.000 1.462 232 I CB -0.425 37.580 38.000 0.009 0.000 1.102 232 I HN 0.366 nan 8.210 nan 0.000 0.433 233 N N 0.417 119.125 118.700 0.014 0.000 2.422 233 N HA -0.023 4.717 4.740 -0.000 0.000 0.181 233 N C 0.585 176.111 175.510 0.027 0.000 1.080 233 N CA 0.790 53.851 53.050 0.018 0.000 0.893 233 N CB 0.340 38.823 38.487 -0.007 0.000 0.973 233 N HN 0.373 nan 8.380 nan 0.000 0.456 234 D N 0.178 120.595 120.400 0.028 0.000 3.013 234 D HA 0.060 4.700 4.640 -0.000 0.000 0.235 234 D C 1.597 177.954 176.300 0.094 0.000 1.540 234 D CA 0.085 54.109 54.000 0.039 0.000 1.303 234 D CB -0.203 40.598 40.800 0.003 0.000 0.980 234 D HN -0.217 nan 8.370 nan 0.000 0.250 235 E N 1.193 121.457 120.200 0.107 0.000 2.095 235 E HA -0.214 4.136 4.350 -0.000 0.000 0.212 235 E C 2.151 178.912 176.600 0.268 0.000 1.044 235 E CA 0.751 57.281 56.400 0.218 0.000 0.857 235 E CB -0.693 29.174 29.700 0.278 0.000 0.764 235 E HN 0.215 nan 8.360 nan 0.000 0.462 236 L N 0.801 122.176 121.223 0.254 0.000 2.017 236 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 236 L C 2.425 179.447 176.870 0.253 0.000 1.073 236 L CA 1.413 56.407 54.840 0.258 0.000 0.745 236 L CB -0.311 41.900 42.059 0.254 0.000 0.894 236 L HN 0.040 nan 8.230 nan 0.000 0.432 237 V N -0.026 119.993 119.914 0.176 0.000 2.295 237 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 237 V C 2.377 178.546 176.094 0.124 0.000 1.049 237 V CA 1.846 64.224 62.300 0.130 0.000 1.024 237 V CB -0.656 31.213 31.823 0.077 0.000 0.648 237 V HN 0.470 nan 8.190 nan 0.000 0.447 238 E N -0.826 119.453 120.200 0.132 0.000 2.023 238 E HA -0.298 4.051 4.350 -0.000 0.000 0.196 238 E C 1.945 178.607 176.600 0.103 0.000 1.003 238 E CA 1.839 58.298 56.400 0.099 0.000 0.809 238 E CB -0.337 29.430 29.700 0.112 0.000 0.755 238 E HN 0.733 nan 8.360 nan 0.000 0.449 239 W N 2.434 123.754 121.300 0.033 0.000 2.305 239 W HA -0.256 4.404 4.660 -0.000 0.000 0.308 239 W C 1.895 178.410 176.519 -0.008 0.000 1.226 239 W CA 1.645 58.998 57.345 0.013 0.000 1.253 239 W CB 0.106 29.578 29.460 0.020 0.000 1.146 239 W HN -0.126 nan 8.180 nan 0.000 0.507 240 K N 0.140 120.662 120.400 0.204 0.000 2.057 240 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 240 K C 1.958 178.425 176.600 -0.221 0.000 1.049 240 K CA 1.781 58.063 56.287 -0.008 0.000 0.931 240 K CB -0.755 31.854 32.500 0.181 0.000 0.714 240 K HN 0.131 nan 8.250 nan 0.000 0.440 241 R N 1.617 122.040 120.500 -0.127 0.000 2.073 241 R HA -0.048 4.292 4.340 -0.000 0.000 0.234 241 R C 2.295 178.475 176.300 -0.200 0.000 1.134 241 R CA 1.436 57.459 56.100 -0.129 0.000 0.952 241 R CB -0.169 30.089 30.300 -0.070 0.000 0.850 241 R HN 0.131 nan 8.270 nan 0.000 0.433 242 R N -0.192 120.151 120.500 -0.263 0.000 2.083 242 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 242 R C 2.361 178.422 176.300 -0.399 0.000 1.137 242 R CA 1.798 57.719 56.100 -0.298 0.000 0.951 242 R CB -0.533 29.579 30.300 -0.312 0.000 0.851 242 R HN 0.407 nan 8.270 nan 0.000 0.434 243 Q N 0.936 120.340 119.800 -0.661 0.000 2.217 243 Q HA -0.289 4.051 4.340 -0.000 0.000 0.209 243 Q C 2.006 177.808 176.000 -0.330 0.000 0.988 243 Q CA 1.736 57.155 55.803 -0.640 0.000 0.878 243 Q CB 0.055 28.198 28.738 -0.991 0.000 0.909 243 Q HN 0.486 nan 8.270 nan 0.000 0.424 244 Q N -0.488 119.157 119.800 -0.259 0.000 1.990 244 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 244 Q C 2.338 178.279 176.000 -0.099 0.000 0.980 244 Q CA 1.888 57.607 55.803 -0.140 0.000 0.832 244 Q CB -0.072 28.601 28.738 -0.108 0.000 0.897 244 Q HN 0.520 nan 8.270 nan 0.000 0.427 245 S N 0.572 116.208 115.700 -0.106 0.000 2.359 245 S HA -0.204 4.265 4.470 -0.000 0.000 0.224 245 S C 2.157 176.647 174.600 -0.183 0.000 1.035 245 S CA 1.204 59.356 58.200 -0.079 0.000 1.018 245 S CB -0.565 62.577 63.200 -0.097 0.000 0.876 245 S HN 0.411 nan 8.310 nan 0.000 0.448 246 A N 0.788 123.472 122.820 -0.227 0.000 1.917 246 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 246 A C 2.509 180.021 177.584 -0.120 0.000 1.182 246 A CA 1.730 53.634 52.037 -0.223 0.000 0.633 246 A CB -1.608 17.256 19.000 -0.227 0.000 0.819 246 A HN 0.740 nan 8.150 nan 0.000 0.448 247 C N -1.512 117.747 119.300 -0.070 0.000 2.448 247 C HA 0.075 4.535 4.460 -0.000 0.000 0.280 247 C C 2.122 177.219 174.990 0.178 0.000 1.398 247 C CA 0.728 59.764 59.018 0.030 0.000 1.774 247 C CB -1.223 26.532 27.740 0.025 0.000 1.888 247 C HN 0.590 nan 8.230 nan 0.000 0.519 248 I N 0.341 121.001 120.570 0.149 0.000 3.793 248 I HA 0.226 4.396 4.170 -0.000 0.000 0.315 248 I C 1.690 178.011 176.117 0.341 0.000 1.275 248 I CA 1.125 62.616 61.300 0.319 0.000 1.214 248 I CB -0.469 37.637 38.000 0.177 0.000 1.018 248 I HN 0.391 nan 8.210 nan 0.000 0.439 249 G N -0.624 108.232 108.800 0.095 0.000 2.175 249 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.182 249 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.182 249 G C 0.783 175.440 174.900 -0.404 0.000 1.003 249 G CA -0.223 44.878 45.100 0.002 0.000 0.666 249 G HN 0.701 nan 8.290 nan 0.000 0.506 250 G N 0.322 108.721 108.800 -0.667 0.000 2.588 250 G HA2 0.644 4.604 3.960 -0.000 0.000 0.278 250 G HA3 0.644 4.604 3.960 -0.000 0.000 0.278 250 G C -1.336 173.151 174.900 -0.687 0.000 1.307 250 G CA -0.334 44.004 45.100 -1.269 0.000 1.016 250 G HN 0.278 nan 8.290 nan 0.000 0.503 251 P HA 0.151 nan 4.420 nan 0.000 0.268 251 P C -2.587 174.575 177.300 -0.230 0.000 1.208 251 P CA -0.757 62.160 63.100 -0.307 0.000 0.777 251 P CB -0.216 31.353 31.700 -0.218 0.000 0.875 252 P HA 0.034 nan 4.420 nan 0.000 0.262 252 P C 0.088 177.319 177.300 -0.115 0.000 1.182 252 P CA 0.463 63.491 63.100 -0.120 0.000 0.761 252 P CB -0.004 31.647 31.700 -0.081 0.000 0.795 253 N N 2.411 121.037 118.700 -0.123 0.000 2.530 253 N HA 0.319 5.059 4.740 -0.000 0.000 0.273 253 N C -0.484 175.016 175.510 -0.018 0.000 1.173 253 N CA -0.265 52.704 53.050 -0.136 0.000 0.967 253 N CB 0.389 38.728 38.487 -0.247 0.000 1.109 253 N HN 0.368 nan 8.380 nan 0.000 0.453 254 A N 2.331 125.171 122.820 0.033 0.000 2.511 254 A HA 0.202 4.522 4.320 -0.000 0.000 0.242 254 A C 1.005 178.742 177.584 0.256 0.000 1.069 254 A CA -0.429 51.682 52.037 0.123 0.000 0.763 254 A CB -0.878 18.214 19.000 0.154 0.000 1.001 254 A HN 0.932 nan 8.150 nan 0.000 0.498 255 C N 1.371 120.750 119.300 0.132 0.000 2.779 255 C HA 0.353 4.813 4.460 -0.000 0.000 0.334 255 C C 1.743 176.755 174.990 0.037 0.000 1.406 255 C CA -0.415 58.665 59.018 0.104 0.000 2.281 255 C CB -1.040 26.705 27.740 0.008 0.000 2.437 255 C HN 0.787 nan 8.230 nan 0.000 0.748 256 L N -0.080 121.073 121.223 -0.117 0.000 2.307 256 L HA 0.041 4.381 4.340 -0.000 0.000 0.211 256 L C 2.202 178.915 176.870 -0.260 0.000 1.099 256 L CA 1.008 55.651 54.840 -0.328 0.000 0.816 256 L CB -0.867 40.931 42.059 -0.435 0.000 0.952 256 L HN 0.668 nan 8.230 nan 0.000 0.455 257 D N 0.451 120.738 120.400 -0.189 0.000 2.565 257 D HA -0.366 4.274 4.640 -0.000 0.000 0.189 257 D C 2.018 178.163 176.300 -0.258 0.000 1.052 257 D CA 1.901 55.791 54.000 -0.184 0.000 0.889 257 D CB -0.195 40.521 40.800 -0.140 0.000 0.911 257 D HN 0.409 nan 8.370 nan 0.000 0.464 258 Q N -0.340 119.264 119.800 -0.328 0.000 2.050 258 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 258 Q C 2.392 177.964 176.000 -0.714 0.000 0.980 258 Q CA 0.886 56.327 55.803 -0.603 0.000 0.840 258 Q CB -0.117 28.231 28.738 -0.649 0.000 0.898 258 Q HN 0.348 nan 8.270 nan 0.000 0.424 259 L N 0.329 121.337 121.223 -0.359 0.000 1.988 259 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 259 L C 2.769 179.658 176.870 0.033 0.000 1.071 259 L CA 1.426 56.262 54.840 -0.006 0.000 0.744 259 L CB -0.672 41.330 42.059 -0.095 0.000 0.893 259 L HN 0.395 nan 8.230 nan 0.000 0.433 260 Q N 0.183 119.893 119.800 -0.149 0.000 2.290 260 Q HA -0.299 4.040 4.340 -0.000 0.000 0.211 260 Q C 1.770 177.761 176.000 -0.015 0.000 0.991 260 Q CA 2.227 57.963 55.803 -0.112 0.000 0.893 260 Q CB -0.089 28.550 28.738 -0.166 0.000 0.913 260 Q HN 0.459 nan 8.270 nan 0.000 0.428 261 N N -0.742 117.915 118.700 -0.072 0.000 2.220 261 N HA -0.115 4.625 4.740 -0.000 0.000 0.182 261 N C 1.281 176.862 175.510 0.118 0.000 1.023 261 N CA 1.123 54.147 53.050 -0.044 0.000 0.856 261 N CB -0.197 38.181 38.487 -0.182 0.000 0.997 261 N HN 0.217 nan 8.380 nan 0.000 0.429 262 W N 0.419 121.757 121.300 0.063 0.000 2.354 262 W HA -0.048 4.612 4.660 -0.000 0.000 0.315 262 W C 1.877 178.416 176.519 0.033 0.000 1.206 262 W CA 0.514 57.882 57.345 0.037 0.000 1.290 262 W CB -1.422 28.058 29.460 0.033 0.000 1.152 262 W HN 0.069 nan 8.180 nan 0.000 0.489 263 F N 0.633 120.694 119.950 0.184 0.000 2.026 263 F HA -0.278 4.249 4.527 -0.000 0.000 0.296 263 F C 2.788 178.614 175.800 0.043 0.000 1.133 263 F CA 2.538 60.577 58.000 0.065 0.000 1.188 263 F CB -1.434 37.568 39.000 0.004 0.000 0.968 263 F HN -0.250 nan 8.300 nan 0.000 0.476 264 T N 0.236 114.939 114.554 0.248 0.000 2.760 264 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 264 T C 1.940 176.705 174.700 0.109 0.000 1.047 264 T CA 1.501 63.684 62.100 0.138 0.000 1.139 264 T CB -0.316 68.601 68.868 0.081 0.000 0.855 264 T HN -0.003 nan 8.240 nan 0.000 0.471 265 I N 0.504 121.141 120.570 0.112 0.000 2.235 265 I HA -0.008 4.162 4.170 -0.000 0.000 0.241 265 I C 2.659 178.812 176.117 0.059 0.000 1.085 265 I CA 0.874 62.225 61.300 0.085 0.000 1.378 265 I CB -1.720 36.342 38.000 0.104 0.000 1.076 265 I HN 0.187 nan 8.210 nan 0.000 0.415 266 V N 1.740 121.675 119.914 0.036 0.000 2.332 266 V HA -0.282 3.837 4.120 -0.000 0.000 0.248 266 V C 2.720 178.834 176.094 0.032 0.000 1.055 266 V CA 2.213 64.508 62.300 -0.009 0.000 1.038 266 V CB -0.702 31.064 31.823 -0.096 0.000 0.651 266 V HN 0.385 nan 8.190 nan 0.000 0.450 267 A N -0.024 122.836 122.820 0.067 0.000 1.873 267 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 267 A C 2.046 179.736 177.584 0.177 0.000 1.193 267 A CA 2.251 54.389 52.037 0.168 0.000 0.629 267 A CB -0.791 18.308 19.000 0.166 0.000 0.826 267 A HN 0.753 nan 8.150 nan 0.000 0.447 268 E N 0.043 120.307 120.200 0.107 0.000 2.085 268 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 268 E C 2.341 178.961 176.600 0.033 0.000 0.994 268 E CA 1.374 57.813 56.400 0.066 0.000 0.801 268 E CB -0.294 29.436 29.700 0.050 0.000 0.743 268 E HN 0.620 nan 8.360 nan 0.000 0.453 269 S N 1.391 117.109 115.700 0.031 0.000 2.351 269 S HA -0.166 4.304 4.470 -0.000 0.000 0.220 269 S C 1.959 176.554 174.600 -0.009 0.000 1.035 269 S CA 0.867 59.072 58.200 0.008 0.000 1.031 269 S CB -0.261 62.942 63.200 0.004 0.000 0.928 269 S HN 0.123 nan 8.310 nan 0.000 0.433 270 L N 1.953 123.183 121.223 0.011 0.000 1.971 270 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 270 L C 2.709 179.502 176.870 -0.129 0.000 1.072 270 L CA 1.778 56.607 54.840 -0.018 0.000 0.758 270 L CB -1.724 40.408 42.059 0.121 0.000 0.889 270 L HN 0.356 nan 8.230 nan 0.000 0.433 271 Q N -0.604 119.098 119.800 -0.164 0.000 2.217 271 Q HA -0.287 4.053 4.340 -0.000 0.000 0.209 271 Q C 2.126 178.035 176.000 -0.151 0.000 0.988 271 Q CA 1.696 57.337 55.803 -0.271 0.000 0.878 271 Q CB -0.223 28.406 28.738 -0.182 0.000 0.909 271 Q HN 0.630 nan 8.270 nan 0.000 0.424 272 Q N -0.186 119.565 119.800 -0.081 0.000 2.096 272 Q HA -0.071 4.269 4.340 -0.000 0.000 0.197 272 Q C 2.137 178.110 176.000 -0.046 0.000 0.964 272 Q CA 0.750 56.525 55.803 -0.047 0.000 0.838 272 Q CB 0.315 29.041 28.738 -0.021 0.000 0.906 272 Q HN 0.179 nan 8.270 nan 0.000 0.444 273 V N 1.431 121.311 119.914 -0.057 0.000 2.380 273 V HA -0.313 3.807 4.120 -0.000 0.000 0.251 273 V C 2.497 178.553 176.094 -0.062 0.000 1.063 273 V CA 2.201 64.471 62.300 -0.050 0.000 1.055 273 V CB -0.738 31.048 31.823 -0.061 0.000 0.657 273 V HN 0.390 nan 8.190 nan 0.000 0.455 274 R N -0.447 119.977 120.500 -0.126 0.000 2.080 274 R HA -0.209 4.131 4.340 -0.000 0.000 0.236 274 R C 2.454 178.768 176.300 0.024 0.000 1.137 274 R CA 1.786 57.804 56.100 -0.136 0.000 0.943 274 R CB -0.265 29.892 30.300 -0.239 0.000 0.846 274 R HN 0.461 nan 8.270 nan 0.000 0.431 275 Q N 0.129 119.929 119.800 -0.001 0.000 2.135 275 Q HA -0.192 4.147 4.340 -0.000 0.000 0.204 275 Q C 2.116 178.142 176.000 0.044 0.000 0.981 275 Q CA 1.483 57.303 55.803 0.029 0.000 0.856 275 Q CB -0.066 28.673 28.738 0.003 0.000 0.902 275 Q HN 0.519 nan 8.270 nan 0.000 0.425 276 Q N 0.125 119.944 119.800 0.031 0.000 2.084 276 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 276 Q C 2.364 178.405 176.000 0.069 0.000 0.978 276 Q CA 0.839 56.665 55.803 0.038 0.000 0.844 276 Q CB -0.355 28.398 28.738 0.026 0.000 0.898 276 Q HN 0.400 nan 8.270 nan 0.000 0.426 277 L N 0.734 122.020 121.223 0.106 0.000 2.083 277 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 277 L C 2.532 179.506 176.870 0.173 0.000 1.083 277 L CA 1.272 56.222 54.840 0.184 0.000 0.752 277 L CB -0.384 41.876 42.059 0.336 0.000 0.899 277 L HN 0.226 nan 8.230 nan 0.000 0.433 278 K N 0.153 120.656 120.400 0.172 0.000 2.002 278 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 278 K C 2.163 178.793 176.600 0.049 0.000 1.048 278 K CA 1.361 57.709 56.287 0.100 0.000 0.930 278 K CB -0.126 32.432 32.500 0.097 0.000 0.714 278 K HN -0.045 nan 8.250 nan 0.000 0.438 279 K N 1.615 122.043 120.400 0.047 0.000 2.113 279 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 279 K C 1.820 178.436 176.600 0.027 0.000 1.047 279 K CA 1.234 57.538 56.287 0.028 0.000 0.928 279 K CB -0.307 32.208 32.500 0.024 0.000 0.716 279 K HN 0.091 nan 8.250 nan 0.000 0.446 280 L N 0.291 121.536 121.223 0.038 0.000 2.141 280 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 280 L C 2.040 178.916 176.870 0.011 0.000 1.094 280 L CA 1.389 56.248 54.840 0.032 0.000 0.763 280 L CB -0.332 41.754 42.059 0.045 0.000 0.908 280 L HN 0.347 nan 8.230 nan 0.000 0.437 281 E N -0.556 119.645 120.200 0.002 0.000 2.158 281 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 281 E C 1.868 178.452 176.600 -0.026 0.000 0.982 281 E CA 0.277 56.660 56.400 -0.028 0.000 0.823 281 E CB 0.062 29.729 29.700 -0.055 0.000 0.766 281 E HN 0.368 nan 8.360 nan 0.000 0.468 282 E N 0.930 121.123 120.200 -0.011 0.000 2.268 282 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 282 E C 1.889 178.491 176.600 0.002 0.000 0.995 282 E CA 0.529 56.925 56.400 -0.007 0.000 0.836 282 E CB 0.171 29.871 29.700 -0.001 0.000 0.763 282 E HN 0.290 nan 8.360 nan 0.000 0.491 283 L N 0.003 121.231 121.223 0.008 0.000 2.375 283 L HA -0.007 4.333 4.340 -0.000 0.000 0.215 283 L C 2.387 179.272 176.870 0.025 0.000 1.108 283 L CA 0.471 55.325 54.840 0.024 0.000 0.830 283 L CB -0.120 41.959 42.059 0.032 0.000 0.959 283 L HN 0.117 nan 8.230 nan 0.000 0.457 284 E N -0.009 120.183 120.200 -0.013 0.000 2.076 284 E HA -0.180 4.170 4.350 -0.000 0.000 0.190 284 E C 1.998 178.567 176.600 -0.051 0.000 0.979 284 E CA 0.619 56.984 56.400 -0.057 0.000 0.807 284 E CB 0.237 29.886 29.700 -0.085 0.000 0.761 284 E HN 0.504 nan 8.360 nan 0.000 0.454 285 Q N 0.687 120.468 119.800 -0.031 0.000 2.002 285 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 285 Q C 2.192 178.198 176.000 0.010 0.000 0.988 285 Q CA 1.710 57.499 55.803 -0.022 0.000 0.843 285 Q CB -0.196 28.531 28.738 -0.018 0.000 0.908 285 Q HN 0.131 nan 8.270 nan 0.000 0.420 286 K N -0.816 119.603 120.400 0.033 0.000 2.173 286 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 286 K C 0.134 176.830 176.600 0.160 0.000 1.046 286 K CA 1.060 57.389 56.287 0.070 0.000 0.929 286 K CB -0.032 32.500 32.500 0.055 0.000 0.720 286 K HN 0.147 nan 8.250 nan 0.000 0.453 287 Y N -0.548 119.743 120.300 -0.016 0.000 2.409 287 Y HA 0.161 4.711 4.550 -0.000 0.000 0.321 287 Y C -1.215 174.703 175.900 0.029 0.000 1.209 287 Y CA -0.696 57.412 58.100 0.014 0.000 1.086 287 Y CB 1.518 39.969 38.460 -0.014 0.000 1.320 287 Y HN -0.173 nan 8.280 nan 0.000 0.440 288 T N 4.749 118.820 114.554 -0.804 0.000 2.696 288 T HA 0.783 5.133 4.350 -0.000 0.000 0.291 288 T C -1.888 172.421 174.700 -0.652 0.000 1.095 288 T CA -0.465 61.215 62.100 -0.700 0.000 1.026 288 T CB 2.217 70.853 68.868 -0.387 0.000 1.390 288 T HN 0.691 nan 8.240 nan 0.000 0.513 289 Y N -1.760 118.316 120.300 -0.373 0.000 2.810 289 Y HA 0.662 5.212 4.550 -0.000 0.000 0.355 289 Y C -1.059 174.755 175.900 -0.143 0.000 1.211 289 Y CA -1.473 56.491 58.100 -0.227 0.000 1.112 289 Y CB 0.191 38.563 38.460 -0.147 0.000 1.383 289 Y HN 0.492 nan 8.280 nan 0.000 0.458 290 E N 2.237 122.492 120.200 0.093 0.000 2.493 290 E HA 0.160 4.510 4.350 -0.000 0.000 0.255 290 E C -0.297 176.316 176.600 0.022 0.000 0.999 290 E CA 1.337 57.667 56.400 -0.117 0.000 0.934 290 E CB -0.230 29.352 29.700 -0.197 0.000 0.940 290 E HN 0.693 nan 8.360 nan 0.000 0.473 291 H N 1.519 120.618 119.070 0.049 0.000 2.941 291 H HA -0.195 4.361 4.556 -0.000 0.000 0.279 291 H C -0.776 174.566 175.328 0.023 0.000 1.247 291 H CA 0.940 57.027 56.048 0.066 0.000 1.129 291 H CB -1.860 27.985 29.762 0.138 0.000 1.313 291 H HN 0.584 nan 8.280 nan 0.000 0.384 292 D N 2.229 122.461 120.400 -0.279 0.000 2.317 292 D HA 0.133 4.773 4.640 -0.000 0.000 0.252 292 D C -0.658 175.506 176.300 -0.227 0.000 1.174 292 D CA -1.746 51.828 54.000 -0.710 0.000 0.866 292 D CB 1.323 41.332 40.800 -1.318 0.000 1.127 292 D HN 0.075 nan 8.370 nan 0.000 0.467 293 P HA -0.196 nan 4.420 nan 0.000 0.216 293 P C 1.778 179.063 177.300 -0.024 0.000 1.153 293 P CA 1.091 64.193 63.100 0.002 0.000 0.858 293 P CB 0.250 31.987 31.700 0.062 0.000 0.789 294 I N -0.157 120.381 120.570 -0.053 0.000 2.194 294 I HA -0.226 3.944 4.170 -0.000 0.000 0.246 294 I C 2.302 178.384 176.117 -0.059 0.000 1.093 294 I CA 2.009 63.285 61.300 -0.040 0.000 1.355 294 I CB -1.319 36.650 38.000 -0.052 0.000 1.046 294 I HN 0.036 nan 8.210 nan 0.000 0.413 295 T N 0.423 114.909 114.554 -0.113 0.000 2.777 295 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 295 T C 1.929 176.595 174.700 -0.056 0.000 1.040 295 T CA 1.042 63.080 62.100 -0.104 0.000 1.141 295 T CB -0.119 68.655 68.868 -0.156 0.000 0.868 295 T HN 0.306 nan 8.240 nan 0.000 0.444 296 K N 1.083 121.459 120.400 -0.039 0.000 2.057 296 K HA -0.006 4.313 4.320 -0.000 0.000 0.206 296 K C 2.107 178.716 176.600 0.013 0.000 1.050 296 K CA 1.091 57.376 56.287 -0.003 0.000 0.935 296 K CB -0.083 32.427 32.500 0.017 0.000 0.715 296 K HN 0.310 nan 8.250 nan 0.000 0.439 297 N N 0.797 119.509 118.700 0.021 0.000 2.415 297 N HA -0.074 4.666 4.740 -0.000 0.000 0.176 297 N C 1.391 176.934 175.510 0.056 0.000 1.042 297 N CA 0.272 53.347 53.050 0.042 0.000 0.902 297 N CB 0.135 38.651 38.487 0.049 0.000 0.986 297 N HN 0.156 nan 8.380 nan 0.000 0.447 298 K N 1.287 121.711 120.400 0.040 0.000 2.091 298 K HA -0.367 3.953 4.320 -0.000 0.000 0.225 298 K C 2.034 178.696 176.600 0.103 0.000 1.028 298 K CA 2.345 58.661 56.287 0.048 0.000 0.965 298 K CB -0.028 32.466 32.500 -0.009 0.000 0.786 298 K HN 0.042 nan 8.250 nan 0.000 0.459 299 Q N 0.021 119.866 119.800 0.075 0.000 1.969 299 Q HA -0.075 4.265 4.340 -0.000 0.000 0.198 299 Q C 1.982 178.069 176.000 0.144 0.000 0.978 299 Q CA 1.994 57.861 55.803 0.107 0.000 0.830 299 Q CB -0.224 28.546 28.738 0.052 0.000 0.896 299 Q HN 0.270 nan 8.270 nan 0.000 0.431 300 V N 1.142 121.114 119.914 0.097 0.000 2.233 300 V HA -0.368 3.752 4.120 -0.000 0.000 0.252 300 V C 2.400 178.556 176.094 0.105 0.000 1.063 300 V CA 2.260 64.613 62.300 0.089 0.000 1.032 300 V CB -0.945 30.916 31.823 0.064 0.000 0.645 300 V HN 0.406 nan 8.190 nan 0.000 0.446 301 L N -1.979 119.309 121.223 0.108 0.000 1.970 301 L HA -0.241 4.098 4.340 -0.000 0.000 0.212 301 L C 2.369 179.310 176.870 0.118 0.000 1.071 301 L CA 2.438 57.337 54.840 0.098 0.000 0.751 301 L CB -0.725 41.392 42.059 0.098 0.000 0.889 301 L HN 0.455 nan 8.230 nan 0.000 0.432 302 W N 1.410 122.727 121.300 0.028 0.000 2.308 302 W HA -0.256 4.404 4.660 -0.000 0.000 0.301 302 W C 2.369 178.931 176.519 0.072 0.000 1.220 302 W CA 1.904 59.270 57.345 0.035 0.000 1.240 302 W CB -0.116 29.350 29.460 0.009 0.000 1.142 302 W HN 0.224 nan 8.180 nan 0.000 0.521 303 D N -1.212 119.332 120.400 0.239 0.000 2.137 303 D HA -0.100 4.540 4.640 -0.000 0.000 0.202 303 D C 2.201 178.570 176.300 0.114 0.000 0.970 303 D CA 1.090 55.203 54.000 0.188 0.000 0.837 303 D CB -0.386 40.520 40.800 0.177 0.000 0.981 303 D HN 0.180 nan 8.370 nan 0.000 0.475 304 R N 0.312 120.855 120.500 0.071 0.000 2.083 304 R HA -0.107 4.233 4.340 -0.000 0.000 0.237 304 R C 2.291 178.590 176.300 -0.001 0.000 1.137 304 R CA 1.579 57.701 56.100 0.036 0.000 0.951 304 R CB -0.376 29.938 30.300 0.023 0.000 0.851 304 R HN 0.148 nan 8.270 nan 0.000 0.434 305 T N 0.912 115.437 114.554 -0.048 0.000 2.595 305 T HA -0.217 4.133 4.350 -0.000 0.000 0.264 305 T C 1.437 176.085 174.700 -0.086 0.000 1.058 305 T CA 1.712 63.747 62.100 -0.108 0.000 1.166 305 T CB -0.549 68.183 68.868 -0.226 0.000 0.863 305 T HN 0.257 nan 8.240 nan 0.000 0.415 306 F N 1.627 121.407 119.950 -0.283 0.000 2.154 306 F HA -0.175 4.352 4.527 -0.000 0.000 0.301 306 F C 2.675 178.468 175.800 -0.011 0.000 1.087 306 F CA 1.556 59.451 58.000 -0.175 0.000 1.274 306 F CB -0.622 38.228 39.000 -0.251 0.000 1.009 306 F HN 0.101 nan 8.300 nan 0.000 0.485 307 S N 0.262 115.972 115.700 0.015 0.000 2.351 307 S HA -0.195 4.275 4.470 -0.000 0.000 0.220 307 S C 1.980 176.484 174.600 -0.160 0.000 1.035 307 S CA 1.676 59.845 58.200 -0.053 0.000 1.031 307 S CB -0.616 62.610 63.200 0.044 0.000 0.928 307 S HN 0.312 nan 8.310 nan 0.000 0.433 308 L N 0.676 121.839 121.223 -0.099 0.000 1.970 308 L HA -0.006 4.334 4.340 -0.000 0.000 0.212 308 L C 2.131 178.920 176.870 -0.136 0.000 1.071 308 L CA 1.896 56.676 54.840 -0.101 0.000 0.751 308 L CB -1.416 40.605 42.059 -0.063 0.000 0.889 308 L HN 0.450 nan 8.230 nan 0.000 0.432 309 F N 0.070 119.860 119.950 -0.266 0.000 2.154 309 F HA -0.298 4.229 4.527 -0.000 0.000 0.301 309 F C 2.698 178.296 175.800 -0.338 0.000 1.087 309 F CA 2.032 59.869 58.000 -0.271 0.000 1.274 309 F CB -0.237 38.604 39.000 -0.265 0.000 1.009 309 F HN 0.257 nan 8.300 nan 0.000 0.485 310 Q N -0.137 119.332 119.800 -0.550 0.000 2.049 310 Q HA -0.253 4.087 4.340 -0.000 0.000 0.198 310 Q C 2.433 178.211 176.000 -0.371 0.000 0.971 310 Q CA 1.663 57.105 55.803 -0.601 0.000 0.833 310 Q CB -0.392 27.862 28.738 -0.808 0.000 0.896 310 Q HN 0.640 nan 8.270 nan 0.000 0.434 311 Q N 0.069 119.704 119.800 -0.274 0.000 2.030 311 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 311 Q C 2.216 178.128 176.000 -0.147 0.000 0.986 311 Q CA 1.573 57.281 55.803 -0.158 0.000 0.843 311 Q CB -0.232 28.435 28.738 -0.118 0.000 0.904 311 Q HN 0.421 nan 8.270 nan 0.000 0.420 312 L N 1.060 122.158 121.223 -0.208 0.000 1.991 312 L HA -0.239 4.101 4.340 -0.000 0.000 0.221 312 L C 2.271 179.102 176.870 -0.065 0.000 1.079 312 L CA 1.992 56.724 54.840 -0.179 0.000 0.778 312 L CB -0.697 41.198 42.059 -0.273 0.000 0.893 312 L HN 0.467 nan 8.230 nan 0.000 0.437 313 I N -1.417 118.967 120.570 -0.308 0.000 2.916 313 I HA -0.251 3.919 4.170 -0.000 0.000 0.267 313 I C 2.010 178.062 176.117 -0.109 0.000 1.263 313 I CA 0.842 61.991 61.300 -0.252 0.000 1.471 313 I CB -0.050 37.627 38.000 -0.539 0.000 1.089 313 I HN 0.531 nan 8.210 nan 0.000 0.468 314 Q N -0.761 118.994 119.800 -0.075 0.000 2.297 314 Q HA -0.025 4.315 4.340 -0.000 0.000 0.203 314 Q C 2.195 178.246 176.000 0.085 0.000 0.931 314 Q CA 1.056 56.861 55.803 0.004 0.000 0.885 314 Q CB 0.233 28.963 28.738 -0.014 0.000 0.991 314 Q HN 0.378 nan 8.270 nan 0.000 0.498 315 S N 1.156 116.918 115.700 0.104 0.000 2.428 315 S HA -0.113 4.357 4.470 -0.000 0.000 0.230 315 S C 2.075 176.707 174.600 0.053 0.000 1.014 315 S CA 1.236 59.530 58.200 0.157 0.000 0.957 315 S CB -0.122 63.249 63.200 0.285 0.000 0.784 315 S HN 0.479 nan 8.310 nan 0.000 0.499 316 S N 0.795 116.503 115.700 0.014 0.000 2.481 316 S HA 0.046 4.516 4.470 -0.000 0.000 0.231 316 S C 0.429 174.926 174.600 -0.172 0.000 0.996 316 S CA 0.016 57.997 58.200 -0.364 0.000 0.942 316 S CB -0.482 62.599 63.200 -0.199 0.000 0.768 316 S HN 0.335 nan 8.310 nan 0.000 0.520 317 F N 3.020 122.868 119.950 -0.170 0.000 2.464 317 F HA 0.627 5.154 4.527 -0.000 0.000 0.353 317 F C -0.190 175.545 175.800 -0.108 0.000 1.191 317 F CA -1.245 56.682 58.000 -0.122 0.000 1.147 317 F CB 0.680 39.650 39.000 -0.050 0.000 1.294 317 F HN 0.044 nan 8.300 nan 0.000 0.583 318 V N 6.278 125.949 119.914 -0.405 0.000 3.074 318 V HA 0.590 4.709 4.120 -0.000 0.000 0.314 318 V C -1.254 174.584 176.094 -0.427 0.000 1.117 318 V CA -0.784 61.281 62.300 -0.393 0.000 1.014 318 V CB 2.503 34.165 31.823 -0.269 0.000 1.057 318 V HN 0.226 nan 8.190 nan 0.000 0.438 319 V N 4.198 123.943 119.914 -0.281 0.000 2.372 319 V HA 0.232 4.352 4.120 -0.000 0.000 0.261 319 V C 1.180 177.246 176.094 -0.048 0.000 1.055 319 V CA 0.713 62.870 62.300 -0.239 0.000 0.930 319 V CB 0.710 32.441 31.823 -0.154 0.000 1.031 319 V HN 1.077 nan 8.190 nan 0.000 0.479 320 E N 4.785 124.936 120.200 -0.083 0.000 2.158 320 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 320 E C 1.201 177.841 176.600 0.068 0.000 0.982 320 E CA 0.399 56.817 56.400 0.029 0.000 0.823 320 E CB 0.359 30.021 29.700 -0.062 0.000 0.766 320 E HN 0.560 nan 8.360 nan 0.000 0.468 321 R N 1.265 121.766 120.500 0.002 0.000 2.468 321 R HA 0.106 4.446 4.340 -0.000 0.000 0.302 321 R C -0.720 175.592 176.300 0.019 0.000 1.041 321 R CA -0.650 55.460 56.100 0.016 0.000 0.899 321 R CB 0.944 31.246 30.300 0.004 0.000 1.167 321 R HN 0.062 nan 8.270 nan 0.000 0.483 322 Q N 2.659 122.480 119.800 0.035 0.000 2.624 322 Q HA 0.055 4.395 4.340 -0.000 0.000 0.256 322 Q C -2.155 173.908 176.000 0.106 0.000 1.119 322 Q CA -1.162 54.676 55.803 0.059 0.000 0.995 322 Q CB -0.005 28.762 28.738 0.048 0.000 1.318 322 Q HN 0.431 nan 8.270 nan 0.000 0.534 323 P HA 0.042 nan 4.420 nan 0.000 0.267 323 P C -0.713 176.694 177.300 0.180 0.000 1.209 323 P CA 0.122 63.373 63.100 0.251 0.000 0.763 323 P CB 0.462 32.311 31.700 0.249 0.000 0.816 324 C N 5.253 124.686 119.300 0.222 0.000 2.985 324 C HA 0.597 5.057 4.460 -0.000 0.000 0.314 324 C C -0.877 174.224 174.990 0.184 0.000 1.215 324 C CA -0.751 58.355 59.018 0.146 0.000 1.414 324 C CB 0.816 28.611 27.740 0.092 0.000 1.842 324 C HN 0.469 nan 8.230 nan 0.000 0.477 325 M N 5.731 125.418 119.600 0.145 0.000 2.113 325 M HA 0.314 4.794 4.480 -0.000 0.000 0.352 325 M C -1.672 174.689 176.300 0.102 0.000 1.170 325 M CA -1.450 53.949 55.300 0.165 0.000 1.053 325 M CB 1.692 34.407 32.600 0.191 0.000 1.601 325 M HN 0.461 nan 8.290 nan 0.000 0.459 326 P HA -0.146 nan 4.420 nan 0.000 0.217 326 P C 0.953 178.231 177.300 -0.038 0.000 1.148 326 P CA 1.371 64.476 63.100 0.008 0.000 0.828 326 P CB 0.101 31.799 31.700 -0.003 0.000 0.783 327 T N -2.301 112.220 114.554 -0.056 0.000 2.951 327 T HA -0.069 4.281 4.350 -0.000 0.000 0.268 327 T C 0.718 175.120 174.700 -0.496 0.000 1.073 327 T CA 1.077 63.025 62.100 -0.252 0.000 1.134 327 T CB -0.450 68.244 68.868 -0.290 0.000 0.884 327 T HN 0.313 nan 8.240 nan 0.000 0.479 328 H N 0.360 119.413 119.070 -0.029 0.000 2.551 328 H HA 0.198 4.754 4.556 -0.000 0.000 0.238 328 H C -1.782 173.506 175.328 -0.068 0.000 1.345 328 H CA -1.530 54.486 56.048 -0.053 0.000 1.105 328 H CB 0.641 30.374 29.762 -0.050 0.000 1.805 328 H HN 0.269 nan 8.280 nan 0.000 0.553 329 P HA -0.195 nan 4.420 nan 0.000 0.222 329 P C 1.481 178.740 177.300 -0.068 0.000 1.142 329 P CA 0.998 64.081 63.100 -0.029 0.000 0.788 329 P CB 0.598 32.272 31.700 -0.043 0.000 0.767 330 Q N 0.147 119.888 119.800 -0.097 0.000 2.230 330 Q HA -0.041 4.299 4.340 -0.000 0.000 0.202 330 Q C 0.756 176.545 176.000 -0.353 0.000 0.963 330 Q CA 1.049 56.739 55.803 -0.189 0.000 0.866 330 Q CB -0.015 28.614 28.738 -0.181 0.000 0.931 330 Q HN 0.226 nan 8.270 nan 0.000 0.452 331 R N 0.640 120.975 120.500 -0.276 0.000 2.335 331 R HA 0.257 4.597 4.340 -0.000 0.000 0.302 331 R C -2.186 174.092 176.300 -0.037 0.000 1.147 331 R CA -1.627 54.256 56.100 -0.362 0.000 1.111 331 R CB 0.823 30.993 30.300 -0.217 0.000 1.122 331 R HN 0.112 nan 8.270 nan 0.000 0.557 332 P HA -0.143 nan 4.420 nan 0.000 0.205 332 P C 1.192 178.577 177.300 0.142 0.000 1.193 332 P CA 0.927 64.099 63.100 0.119 0.000 0.929 332 P CB 0.251 32.029 31.700 0.130 0.000 0.772 333 L N -0.745 120.595 121.223 0.195 0.000 2.740 333 L HA -0.029 4.311 4.340 -0.000 0.000 0.242 333 L C 0.513 177.413 176.870 0.050 0.000 1.175 333 L CA 0.195 55.092 54.840 0.095 0.000 0.859 333 L CB -0.766 41.320 42.059 0.046 0.000 0.992 333 L HN -0.171 nan 8.230 nan 0.000 0.454 334 V N 1.367 121.330 119.914 0.082 0.000 2.370 334 V HA 0.299 4.419 4.120 -0.000 0.000 0.279 334 V C 0.121 176.151 176.094 -0.107 0.000 1.029 334 V CA -0.355 61.950 62.300 0.007 0.000 0.870 334 V CB 1.734 33.610 31.823 0.088 0.000 0.984 334 V HN 0.074 nan 8.190 nan 0.000 0.451 335 L N 5.058 126.148 121.223 -0.221 0.000 2.313 335 L HA 0.579 4.919 4.340 -0.000 0.000 0.283 335 L C 0.011 176.689 176.870 -0.321 0.000 1.013 335 L CA -0.536 54.098 54.840 -0.343 0.000 0.816 335 L CB 1.769 43.453 42.059 -0.625 0.000 1.236 335 L HN 0.563 nan 8.230 nan 0.000 0.419 336 K N 2.015 122.268 120.400 -0.245 0.000 2.183 336 K HA 0.267 4.587 4.320 -0.000 0.000 0.274 336 K C -0.071 176.423 176.600 -0.178 0.000 1.009 336 K CA -0.426 55.743 56.287 -0.196 0.000 0.888 336 K CB 1.521 33.931 32.500 -0.151 0.000 1.078 336 K HN 0.495 nan 8.250 nan 0.000 0.459 337 T N 2.448 116.898 114.554 -0.174 0.000 2.939 337 T HA 0.108 4.458 4.350 -0.000 0.000 0.319 337 T C 1.145 175.827 174.700 -0.031 0.000 1.082 337 T CA 1.960 63.991 62.100 -0.115 0.000 1.133 337 T CB 0.033 68.884 68.868 -0.028 0.000 1.019 337 T HN 0.899 nan 8.240 nan 0.000 0.548 338 G N 2.406 111.209 108.800 0.006 0.000 2.220 338 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.269 338 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.269 338 G C 0.215 175.146 174.900 0.051 0.000 0.977 338 G CA 0.416 45.539 45.100 0.038 0.000 0.634 338 G HN 0.912 nan 8.290 nan 0.000 0.539 339 V N 1.319 121.261 119.914 0.047 0.000 2.612 339 V HA 0.590 4.710 4.120 -0.000 0.000 0.301 339 V C 0.594 176.775 176.094 0.145 0.000 1.046 339 V CA -0.213 62.137 62.300 0.083 0.000 0.946 339 V CB 1.780 33.651 31.823 0.078 0.000 1.003 339 V HN 0.671 nan 8.190 nan 0.000 0.459 340 Q N 3.444 123.336 119.800 0.152 0.000 2.293 340 Q HA 0.569 4.909 4.340 -0.000 0.000 0.251 340 Q C -1.033 175.118 176.000 0.252 0.000 0.930 340 Q CA -0.246 55.667 55.803 0.184 0.000 0.893 340 Q CB 1.239 30.042 28.738 0.107 0.000 1.215 340 Q HN 0.708 nan 8.270 nan 0.000 0.425 341 F N -0.829 119.122 119.950 0.002 0.000 2.706 341 F HA 0.855 5.381 4.527 -0.000 0.000 0.328 341 F C -1.053 174.754 175.800 0.012 0.000 1.123 341 F CA -0.826 57.173 58.000 -0.001 0.000 0.978 341 F CB 1.607 40.596 39.000 -0.017 0.000 1.404 341 F HN 0.659 nan 8.300 nan 0.000 0.497 342 T N 0.315 114.869 114.554 0.000 0.000 2.900 342 T HA 0.785 5.135 4.350 -0.000 0.000 0.303 342 T C -1.939 172.808 174.700 0.079 0.000 1.142 342 T CA -0.433 61.620 62.100 -0.079 0.000 1.007 342 T CB 1.507 70.342 68.868 -0.055 0.000 1.156 342 T HN 0.975 nan 8.240 nan 0.000 0.490 343 V N 2.184 122.152 119.914 0.090 0.000 3.159 343 V HA 0.769 4.889 4.120 -0.000 0.000 0.308 343 V C -0.837 175.309 176.094 0.085 0.000 1.190 343 V CA -1.159 61.212 62.300 0.117 0.000 1.037 343 V CB 2.322 34.256 31.823 0.186 0.000 1.060 343 V HN 1.070 nan 8.190 nan 0.000 0.437 344 K N 1.900 122.285 120.400 -0.026 0.000 2.565 344 K HA 0.598 4.918 4.320 -0.000 0.000 0.249 344 K C -1.907 174.584 176.600 -0.182 0.000 0.958 344 K CA -0.594 55.654 56.287 -0.065 0.000 0.806 344 K CB 1.614 34.079 32.500 -0.058 0.000 1.194 344 K HN 0.478 nan 8.250 nan 0.000 0.434 345 L N 3.129 124.230 121.223 -0.204 0.000 2.387 345 L HA 0.619 4.959 4.340 -0.000 0.000 0.266 345 L C -0.120 176.645 176.870 -0.176 0.000 1.059 345 L CA -0.484 54.173 54.840 -0.306 0.000 0.801 345 L CB 1.468 43.352 42.059 -0.292 0.000 1.223 345 L HN 0.808 nan 8.230 nan 0.000 0.456 346 R N 1.393 121.775 120.500 -0.196 0.000 2.579 346 R HA 0.407 4.747 4.340 -0.000 0.000 0.260 346 R C -2.186 174.063 176.300 -0.086 0.000 1.103 346 R CA -0.729 55.299 56.100 -0.121 0.000 0.942 346 R CB 1.438 31.636 30.300 -0.169 0.000 1.251 346 R HN 0.407 nan 8.270 nan 0.000 0.450 347 L N 5.918 127.129 121.223 -0.020 0.000 2.262 347 L HA 0.350 4.690 4.340 -0.000 0.000 0.288 347 L C 0.556 177.342 176.870 -0.139 0.000 1.035 347 L CA -0.264 54.567 54.840 -0.015 0.000 0.820 347 L CB 1.361 43.442 42.059 0.038 0.000 1.204 347 L HN 0.826 nan 8.230 nan 0.000 0.424 348 L N 4.139 125.193 121.223 -0.282 0.000 2.642 348 L HA -0.132 4.208 4.340 -0.000 0.000 0.236 348 L C 1.453 178.228 176.870 -0.158 0.000 1.169 348 L CA 0.240 54.862 54.840 -0.364 0.000 0.851 348 L CB -0.469 41.101 42.059 -0.814 0.000 0.968 348 L HN 0.579 nan 8.230 nan 0.000 0.453 349 V N -0.530 119.346 119.914 -0.063 0.000 2.300 349 V HA -0.114 4.006 4.120 -0.000 0.000 0.233 349 V C 0.858 176.966 176.094 0.022 0.000 1.052 349 V CA 0.627 62.955 62.300 0.046 0.000 1.026 349 V CB -0.297 31.554 31.823 0.046 0.000 0.661 349 V HN 0.595 nan 8.190 nan 0.000 0.470 350 K N 0.282 120.683 120.400 0.002 0.000 5.961 350 K HA -0.141 4.179 4.320 -0.000 0.000 0.797 350 K C -1.605 175.006 176.600 0.017 0.000 1.742 350 K CA 0.028 56.310 56.287 -0.008 0.000 1.635 350 K CB -1.362 31.122 32.500 -0.028 0.000 2.213 350 K HN 0.401 nan 8.250 nan 0.000 0.300 351 L N 4.029 125.264 121.223 0.020 0.000 2.470 351 L HA 0.262 4.602 4.340 -0.000 0.000 0.268 351 L C 1.318 178.199 176.870 0.019 0.000 0.964 351 L CA -1.265 53.596 54.840 0.035 0.000 0.839 351 L CB 1.667 43.768 42.059 0.071 0.000 1.276 351 L HN 0.475 nan 8.230 nan 0.000 0.403 352 Q N 1.849 121.659 119.800 0.015 0.000 2.173 352 Q HA -0.218 4.122 4.340 -0.000 0.000 0.208 352 Q C 1.274 177.290 176.000 0.027 0.000 0.989 352 Q CA 2.140 57.951 55.803 0.014 0.000 0.872 352 Q CB -0.113 28.638 28.738 0.021 0.000 0.909 352 Q HN 0.821 nan 8.270 nan 0.000 0.420 353 E N -0.477 119.745 120.200 0.036 0.000 2.495 353 E HA -0.091 4.259 4.350 -0.000 0.000 0.204 353 E C 0.627 177.257 176.600 0.050 0.000 1.163 353 E CA 0.281 56.708 56.400 0.045 0.000 0.922 353 E CB 0.028 29.755 29.700 0.045 0.000 0.918 353 E HN 0.091 nan 8.360 nan 0.000 0.537 354 L N 0.092 121.335 121.223 0.033 0.000 3.174 354 L HA 0.204 4.544 4.340 -0.000 0.000 0.283 354 L C -0.004 176.854 176.870 -0.019 0.000 1.187 354 L CA -0.143 54.709 54.840 0.019 0.000 1.018 354 L CB 0.312 42.380 42.059 0.014 0.000 1.433 354 L HN 0.116 nan 8.230 nan 0.000 0.593 355 N N 0.671 119.351 118.700 -0.035 0.000 2.438 355 N HA -0.033 4.707 4.740 -0.000 0.000 0.267 355 N C -0.073 175.428 175.510 -0.015 0.000 1.222 355 N CA 0.512 53.468 53.050 -0.157 0.000 0.930 355 N CB 0.093 38.501 38.487 -0.130 0.000 1.083 355 N HN 0.203 nan 8.380 nan 0.000 0.476 356 Y N 0.364 120.666 120.300 0.003 0.000 4.841 356 Y HA -0.276 4.274 4.550 -0.000 0.000 0.242 356 Y C 0.757 176.662 175.900 0.008 0.000 1.002 356 Y CA 0.225 58.327 58.100 0.003 0.000 2.011 356 Y CB -1.738 36.723 38.460 0.002 0.000 1.554 356 Y HN 0.602 nan 8.280 nan 0.000 0.618 357 N N 0.618 119.380 118.700 0.103 0.000 2.203 357 N HA 0.296 5.036 4.740 -0.000 0.000 0.207 357 N C -0.350 175.185 175.510 0.042 0.000 1.130 357 N CA 0.295 53.391 53.050 0.076 0.000 0.861 357 N CB 0.699 39.225 38.487 0.066 0.000 1.005 357 N HN 0.326 nan 8.380 nan 0.000 0.507 358 L N 1.136 122.375 121.223 0.027 0.000 2.401 358 L HA 0.341 4.681 4.340 -0.000 0.000 0.263 358 L C 0.006 176.892 176.870 0.027 0.000 1.004 358 L CA -0.488 54.351 54.840 -0.002 0.000 0.881 358 L CB 1.882 43.910 42.059 -0.050 0.000 1.219 358 L HN -0.241 nan 8.230 nan 0.000 0.441 359 K N 2.684 123.112 120.400 0.047 0.000 2.276 359 K HA 0.506 4.826 4.320 -0.000 0.000 0.285 359 K C -0.828 175.842 176.600 0.117 0.000 1.062 359 K CA -0.430 55.908 56.287 0.086 0.000 0.918 359 K CB 1.184 33.736 32.500 0.086 0.000 1.055 359 K HN 0.278 nan 8.250 nan 0.000 0.477 360 V N 5.545 125.579 119.914 0.201 0.000 2.472 360 V HA 0.313 4.433 4.120 -0.000 0.000 0.290 360 V C -0.452 175.906 176.094 0.439 0.000 1.037 360 V CA -0.696 61.809 62.300 0.342 0.000 0.908 360 V CB 1.423 33.554 31.823 0.514 0.000 0.985 360 V HN 0.787 nan 8.190 nan 0.000 0.454 361 K N 3.469 124.075 120.400 0.344 0.000 2.316 361 K HA 0.824 5.144 4.320 -0.000 0.000 0.251 361 K C -1.471 175.169 176.600 0.066 0.000 0.934 361 K CA -0.845 55.583 56.287 0.234 0.000 0.802 361 K CB 2.241 34.828 32.500 0.145 0.000 1.171 361 K HN 0.278 nan 8.250 nan 0.000 0.426 362 V N 3.421 123.264 119.914 -0.119 0.000 2.439 362 V HA 0.342 4.462 4.120 -0.000 0.000 0.282 362 V C -0.672 175.235 176.094 -0.311 0.000 1.039 362 V CA -0.819 61.217 62.300 -0.441 0.000 0.913 362 V CB 0.734 32.220 31.823 -0.562 0.000 0.983 362 V HN 0.569 nan 8.190 nan 0.000 0.460 363 L N 5.283 126.312 121.223 -0.323 0.000 2.410 363 L HA 0.521 4.861 4.340 -0.000 0.000 0.270 363 L C -0.758 176.090 176.870 -0.037 0.000 0.983 363 L CA -0.143 54.606 54.840 -0.151 0.000 0.822 363 L CB 1.785 43.780 42.059 -0.107 0.000 1.285 363 L HN 0.521 nan 8.230 nan 0.000 0.409 364 F N 3.698 123.575 119.950 -0.122 0.000 2.391 364 F HA 0.359 4.886 4.527 -0.000 0.000 0.359 364 F C 0.787 176.604 175.800 0.029 0.000 1.122 364 F CA -0.488 57.493 58.000 -0.031 0.000 1.120 364 F CB 0.272 39.292 39.000 0.035 0.000 1.142 364 F HN 0.716 nan 8.300 nan 0.000 0.483 365 D N 2.788 122.964 120.400 -0.373 0.000 3.041 365 D HA -0.253 4.387 4.640 -0.000 0.000 0.220 365 D C 0.509 176.715 176.300 -0.156 0.000 1.157 365 D CA 0.649 54.452 54.000 -0.329 0.000 0.876 365 D CB -0.571 39.993 40.800 -0.392 0.000 1.107 365 D HN 0.614 nan 8.370 nan 0.000 0.422 366 K N 1.005 121.344 120.400 -0.101 0.000 2.397 366 K HA -0.058 4.261 4.320 -0.000 0.000 0.265 366 K C 0.190 176.744 176.600 -0.077 0.000 0.982 366 K CA 0.311 56.558 56.287 -0.068 0.000 0.931 366 K CB 0.421 32.891 32.500 -0.050 0.000 0.943 366 K HN -0.048 nan 8.250 nan 0.000 0.501 367 D N 0.659 121.021 120.400 -0.063 0.000 2.755 367 D HA -0.161 4.478 4.640 -0.000 0.000 0.227 367 D C -1.125 175.116 176.300 -0.099 0.000 1.211 367 D CA 0.620 54.581 54.000 -0.066 0.000 0.663 367 D CB -0.715 40.059 40.800 -0.044 0.000 0.983 367 D HN 0.151 nan 8.370 nan 0.000 0.407 368 V N 1.745 121.577 119.914 -0.136 0.000 2.540 368 V HA 0.184 4.304 4.120 -0.000 0.000 0.302 368 V C 1.302 177.252 176.094 -0.239 0.000 1.035 368 V CA -0.926 61.250 62.300 -0.208 0.000 0.873 368 V CB 2.078 33.733 31.823 -0.281 0.000 0.992 368 V HN 0.097 nan 8.190 nan 0.000 0.428 369 N N 3.015 121.570 118.700 -0.242 0.000 2.062 369 N HA -0.134 4.606 4.740 -0.000 0.000 0.191 369 N C 1.402 176.722 175.510 -0.316 0.000 1.042 369 N CA 1.181 54.099 53.050 -0.220 0.000 0.845 369 N CB 0.072 38.458 38.487 -0.168 0.000 1.024 369 N HN 0.716 nan 8.380 nan 0.000 0.424 370 E N 1.096 121.002 120.200 -0.490 0.000 2.301 370 E HA -0.162 4.188 4.350 -0.000 0.000 0.202 370 E C 1.786 177.941 176.600 -0.741 0.000 1.017 370 E CA 0.797 56.772 56.400 -0.709 0.000 0.831 370 E CB -0.222 28.756 29.700 -1.203 0.000 0.742 370 E HN 0.380 nan 8.360 nan 0.000 0.491 371 R N 0.131 120.257 120.500 -0.622 0.000 2.200 371 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 371 R C 1.088 177.323 176.300 -0.107 0.000 1.127 371 R CA 1.269 57.225 56.100 -0.239 0.000 0.989 371 R CB -0.123 30.087 30.300 -0.150 0.000 0.869 371 R HN 0.277 nan 8.270 nan 0.000 0.459 372 N N -1.413 117.197 118.700 -0.149 0.000 2.509 372 N HA 0.022 4.762 4.740 -0.000 0.000 0.254 372 N C 1.392 176.850 175.510 -0.087 0.000 1.064 372 N CA 0.478 53.479 53.050 -0.083 0.000 0.865 372 N CB -0.216 38.227 38.487 -0.072 0.000 1.659 372 N HN -0.094 nan 8.380 nan 0.000 0.495 373 T N 2.893 117.370 114.554 -0.128 0.000 2.486 373 T HA -0.074 4.276 4.350 -0.000 0.000 0.257 373 T C 1.152 175.804 174.700 -0.079 0.000 1.175 373 T CA 1.007 63.042 62.100 -0.107 0.000 1.207 373 T CB -0.433 68.352 68.868 -0.138 0.000 0.864 373 T HN -0.083 nan 8.240 nan 0.000 0.405 374 V N 2.933 122.781 119.914 -0.110 0.000 2.673 374 V HA 0.077 4.196 4.120 -0.000 0.000 0.303 374 V C 0.505 176.629 176.094 0.049 0.000 1.046 374 V CA -0.229 62.062 62.300 -0.016 0.000 1.126 374 V CB 0.751 32.587 31.823 0.022 0.000 0.934 374 V HN 0.323 nan 8.190 nan 0.000 0.487 375 K N 3.558 123.995 120.400 0.063 0.000 2.237 375 K HA 0.402 4.722 4.320 -0.000 0.000 0.270 375 K C 1.304 177.964 176.600 0.100 0.000 1.015 375 K CA 0.552 56.878 56.287 0.065 0.000 0.949 375 K CB 0.571 33.097 32.500 0.044 0.000 0.976 375 K HN 0.928 nan 8.250 nan 0.000 0.472 376 G N 3.873 112.722 108.800 0.082 0.000 2.451 376 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.253 376 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.253 376 G C 0.219 175.176 174.900 0.095 0.000 1.033 376 G CA 0.517 45.659 45.100 0.070 0.000 0.633 376 G HN 0.799 nan 8.290 nan 0.000 0.537 377 F N 4.206 124.153 119.950 -0.006 0.000 2.157 377 F HA 0.036 4.563 4.527 -0.000 0.000 0.430 377 F C 1.328 177.112 175.800 -0.027 0.000 0.907 377 F CA 0.567 58.561 58.000 -0.010 0.000 0.996 377 F CB 0.094 39.059 39.000 -0.058 0.000 0.797 377 F HN 0.443 nan 8.300 nan 0.000 0.500 378 R N 5.826 126.071 120.500 -0.425 0.000 2.811 378 R HA 0.176 4.516 4.340 -0.000 0.000 0.265 378 R C -0.234 175.764 176.300 -0.504 0.000 1.026 378 R CA 0.126 55.977 56.100 -0.415 0.000 1.142 378 R CB 0.332 30.417 30.300 -0.358 0.000 1.027 378 R HN 0.540 nan 8.270 nan 0.000 0.465 379 K N 1.648 121.754 120.400 -0.490 0.000 2.482 379 K HA 0.394 4.714 4.320 -0.000 0.000 0.251 379 K C -1.320 175.045 176.600 -0.392 0.000 0.936 379 K CA -0.602 55.544 56.287 -0.235 0.000 0.791 379 K CB 1.653 34.125 32.500 -0.046 0.000 1.213 379 K HN 0.254 nan 8.250 nan 0.000 0.428 380 F N 0.408 120.537 119.950 0.299 0.000 2.618 380 F HA 0.495 5.022 4.527 -0.000 0.000 0.332 380 F C 0.009 176.001 175.800 0.320 0.000 1.061 380 F CA -0.944 57.229 58.000 0.289 0.000 0.974 380 F CB 1.751 40.927 39.000 0.294 0.000 1.310 380 F HN 0.421 nan 8.300 nan 0.000 0.491 381 N N 1.331 120.253 118.700 0.369 0.000 2.249 381 N HA 0.383 5.123 4.740 -0.000 0.000 0.296 381 N C -1.224 174.367 175.510 0.135 0.000 1.051 381 N CA -0.467 52.722 53.050 0.232 0.000 0.815 381 N CB 2.436 41.023 38.487 0.166 0.000 1.487 381 N HN 0.252 nan 8.380 nan 0.000 0.475 382 I N 1.603 122.221 120.570 0.080 0.000 2.836 382 I HA 0.009 4.179 4.170 -0.000 0.000 0.285 382 I C 1.323 177.603 176.117 0.272 0.000 1.174 382 I CA 0.009 61.366 61.300 0.095 0.000 1.405 382 I CB 0.609 38.612 38.000 0.004 0.000 1.385 382 I HN 0.533 nan 8.210 nan 0.000 0.594 383 L N 3.429 124.802 121.223 0.250 0.000 2.694 383 L HA 0.337 4.677 4.340 -0.000 0.000 0.228 383 L C 1.444 178.366 176.870 0.086 0.000 1.048 383 L CA 0.775 55.736 54.840 0.200 0.000 0.887 383 L CB -0.195 41.936 42.059 0.120 0.000 1.265 383 L HN 0.761 nan 8.230 nan 0.000 0.492 384 G N -0.988 107.861 108.800 0.081 0.000 2.522 384 G HA2 0.042 4.002 3.960 -0.000 0.000 0.223 384 G HA3 0.042 4.002 3.960 -0.000 0.000 0.223 384 G C -0.360 174.484 174.900 -0.093 0.000 1.565 384 G CA -0.041 45.069 45.100 0.017 0.000 1.053 384 G HN 0.116 nan 8.290 nan 0.000 0.547 385 T N 0.179 114.749 114.554 0.028 0.000 2.752 385 T HA 0.227 4.577 4.350 -0.000 0.000 0.295 385 T C 0.878 175.706 174.700 0.213 0.000 0.923 385 T CA 0.192 62.321 62.100 0.047 0.000 1.112 385 T CB 0.409 69.360 68.868 0.138 0.000 0.884 385 T HN 0.497 nan 8.240 nan 0.000 0.525 386 H N 1.299 120.463 119.070 0.156 0.000 2.512 386 H HA 0.092 4.648 4.556 -0.000 0.000 0.279 386 H C 1.270 176.754 175.328 0.260 0.000 0.999 386 H CA 0.018 56.148 56.048 0.137 0.000 1.283 386 H CB 0.559 30.369 29.762 0.080 0.000 1.421 386 H HN 0.543 nan 8.280 nan 0.000 0.554 387 T N -1.272 113.533 114.554 0.418 0.000 2.893 387 T HA 0.609 4.959 4.350 -0.000 0.000 0.291 387 T C -0.794 174.094 174.700 0.313 0.000 1.028 387 T CA -1.119 61.229 62.100 0.414 0.000 0.995 387 T CB 3.248 72.265 68.868 0.248 0.000 1.051 387 T HN -0.049 nan 8.240 nan 0.000 0.470 388 K N 1.172 121.707 120.400 0.225 0.000 2.527 388 K HA 0.666 4.986 4.320 -0.000 0.000 0.260 388 K C -1.633 174.966 176.600 -0.002 0.000 0.937 388 K CA -0.763 55.484 56.287 -0.066 0.000 0.826 388 K CB 2.332 34.449 32.500 -0.639 0.000 1.359 388 K HN 0.624 nan 8.250 nan 0.000 0.434 389 V N 4.683 124.596 119.914 -0.002 0.000 2.427 389 V HA 0.406 4.526 4.120 -0.000 0.000 0.286 389 V C 0.258 176.344 176.094 -0.014 0.000 1.034 389 V CA -0.764 61.560 62.300 0.040 0.000 0.893 389 V CB 1.419 33.310 31.823 0.113 0.000 0.982 389 V HN 0.751 nan 8.190 nan 0.000 0.452 390 M N 5.312 124.895 119.600 -0.030 0.000 2.268 390 M HA 0.208 4.688 4.480 -0.000 0.000 0.349 390 M C -0.214 175.958 176.300 -0.214 0.000 1.485 390 M CA 0.512 55.758 55.300 -0.088 0.000 1.094 390 M CB -0.230 32.340 32.600 -0.049 0.000 1.843 390 M HN 0.653 nan 8.290 nan 0.000 0.460 391 N N 2.692 121.250 118.700 -0.237 0.000 2.531 391 N HA 0.583 5.323 4.740 -0.000 0.000 0.290 391 N C -0.638 174.708 175.510 -0.272 0.000 1.257 391 N CA -0.646 52.163 53.050 -0.403 0.000 0.863 391 N CB 1.034 39.394 38.487 -0.213 0.000 1.320 391 N HN 0.489 nan 8.380 nan 0.000 0.538 392 M N 0.990 120.430 119.600 -0.267 0.000 2.367 392 M HA 0.261 4.741 4.480 -0.000 0.000 0.339 392 M C -0.236 176.008 176.300 -0.093 0.000 1.177 392 M CA -0.222 54.987 55.300 -0.152 0.000 1.068 392 M CB 0.537 33.064 32.600 -0.122 0.000 1.602 392 M HN 0.513 nan 8.290 nan 0.000 0.457 393 E N 0.923 121.079 120.200 -0.073 0.000 2.317 393 E HA 0.338 4.688 4.350 -0.000 0.000 0.270 393 E C -1.309 175.264 176.600 -0.045 0.000 0.899 393 E CA -0.596 55.773 56.400 -0.052 0.000 0.814 393 E CB 0.998 30.664 29.700 -0.056 0.000 1.296 393 E HN 0.536 nan 8.360 nan 0.000 0.404 394 E N 2.325 122.505 120.200 -0.032 0.000 2.734 394 E HA -0.002 4.348 4.350 -0.000 0.000 0.235 394 E C -0.365 176.216 176.600 -0.031 0.000 1.107 394 E CA 0.519 56.902 56.400 -0.028 0.000 0.951 394 E CB 0.365 30.054 29.700 -0.018 0.000 0.955 394 E HN 0.440 nan 8.360 nan 0.000 0.515 395 S N 1.488 117.166 115.700 -0.036 0.000 2.626 395 S HA 0.164 4.634 4.470 -0.000 0.000 0.243 395 S C 1.240 175.821 174.600 -0.032 0.000 1.116 395 S CA -0.628 57.550 58.200 -0.037 0.000 1.089 395 S CB 0.618 63.790 63.200 -0.047 0.000 1.180 395 S HN 0.517 nan 8.310 nan 0.000 0.523 396 T N 2.030 116.563 114.554 -0.035 0.000 3.060 396 T HA 0.236 4.586 4.350 -0.000 0.000 0.249 396 T C 0.403 175.083 174.700 -0.034 0.000 1.079 396 T CA 0.125 62.206 62.100 -0.031 0.000 1.013 396 T CB -0.167 68.683 68.868 -0.031 0.000 0.975 396 T HN 0.400 nan 8.240 nan 0.000 0.518 397 N N 0.342 119.017 118.700 -0.042 0.000 2.036 397 N HA 0.259 4.999 4.740 -0.000 0.000 0.228 397 N C 0.988 176.470 175.510 -0.047 0.000 1.368 397 N CA 0.335 53.358 53.050 -0.045 0.000 0.846 397 N CB 1.719 40.172 38.487 -0.057 0.000 1.145 397 N HN 0.431 nan 8.380 nan 0.000 0.502 398 G N 2.026 110.798 108.800 -0.047 0.000 2.641 398 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.254 398 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.254 398 G C -0.449 174.412 174.900 -0.065 0.000 1.315 398 G CA 0.132 45.202 45.100 -0.051 0.000 0.907 398 G HN 1.044 nan 8.290 nan 0.000 0.572 399 S N -2.743 112.913 115.700 -0.074 0.000 2.714 399 S HA 0.469 4.939 4.470 -0.000 0.000 0.284 399 S C -1.373 173.170 174.600 -0.095 0.000 1.019 399 S CA 0.068 58.215 58.200 -0.087 0.000 0.856 399 S CB 1.304 64.447 63.200 -0.095 0.000 1.075 399 S HN 2.150 nan 8.310 nan 0.000 0.455 400 L N 2.305 123.470 121.223 -0.097 0.000 2.272 400 L HA 0.890 5.230 4.340 -0.000 0.000 0.284 400 L C -0.075 176.742 176.870 -0.088 0.000 1.045 400 L CA 0.382 55.161 54.840 -0.102 0.000 0.842 400 L CB 0.163 42.171 42.059 -0.086 0.000 1.224 400 L HN 1.336 nan 8.230 nan 0.000 0.430 401 A N 3.933 126.694 122.820 -0.098 0.000 2.589 401 A HA 0.924 5.244 4.320 -0.000 0.000 0.296 401 A C -1.352 176.172 177.584 -0.100 0.000 1.062 401 A CA -0.170 51.817 52.037 -0.083 0.000 0.686 401 A CB 1.258 20.200 19.000 -0.097 0.000 1.282 401 A HN 0.911 nan 8.150 nan 0.000 0.404 402 A N 0.723 123.487 122.820 -0.093 0.000 2.324 402 A HA 0.793 5.113 4.320 -0.000 0.000 0.330 402 A C -0.328 177.108 177.584 -0.245 0.000 1.165 402 A CA -0.388 51.538 52.037 -0.186 0.000 0.813 402 A CB 1.015 19.916 19.000 -0.166 0.000 1.197 402 A HN 0.831 nan 8.150 nan 0.000 0.484 403 E N 1.470 121.463 120.200 -0.345 0.000 2.266 403 E HA 0.562 4.912 4.350 -0.000 0.000 0.268 403 E C -1.945 174.424 176.600 -0.385 0.000 0.879 403 E CA -0.462 55.791 56.400 -0.245 0.000 0.762 403 E CB 1.241 30.855 29.700 -0.144 0.000 1.199 403 E HN 0.481 nan 8.360 nan 0.000 0.422 404 F N 3.361 123.273 119.950 -0.064 0.000 2.325 404 F HA 0.443 4.970 4.527 -0.000 0.000 0.369 404 F C 0.733 176.424 175.800 -0.182 0.000 1.095 404 F CA -0.632 57.325 58.000 -0.072 0.000 1.082 404 F CB 1.035 40.026 39.000 -0.016 0.000 1.289 404 F HN 0.146 nan 8.300 nan 0.000 0.462 405 R N 1.331 121.755 120.500 -0.127 0.000 2.596 405 R HA 0.433 4.772 4.340 -0.000 0.000 0.267 405 R C -0.612 175.445 176.300 -0.405 0.000 1.026 405 R CA -0.977 54.878 56.100 -0.408 0.000 1.087 405 R CB 0.724 30.595 30.300 -0.714 0.000 1.132 405 R HN 0.586 nan 8.270 nan 0.000 0.531 406 H N 0.012 119.050 119.070 -0.054 0.000 2.969 406 H HA -0.134 4.422 4.556 -0.000 0.000 0.347 406 H C -1.159 174.113 175.328 -0.094 0.000 1.235 406 H CA 0.354 56.372 56.048 -0.049 0.000 1.179 406 H CB -1.707 28.048 29.762 -0.012 0.000 1.578 406 H HN 0.372 nan 8.280 nan 0.000 0.431 407 L N 1.071 122.193 121.223 -0.168 0.000 2.455 407 L HA 0.498 4.838 4.340 -0.000 0.000 0.264 407 L C 0.084 176.913 176.870 -0.069 0.000 0.968 407 L CA -0.430 54.218 54.840 -0.320 0.000 0.827 407 L CB 2.960 44.338 42.059 -1.135 0.000 1.317 407 L HN 0.288 nan 8.230 nan 0.000 0.407 408 Q N 2.367 122.264 119.800 0.163 0.000 2.359 408 Q HA 0.610 4.950 4.340 -0.000 0.000 0.274 408 Q C -1.754 174.368 176.000 0.202 0.000 1.074 408 Q CA -0.616 55.325 55.803 0.230 0.000 0.810 408 Q CB 3.125 31.941 28.738 0.129 0.000 1.342 408 Q HN 0.543 nan 8.270 nan 0.000 0.427 409 L N 2.643 123.911 121.223 0.075 0.000 2.334 409 L HA 0.630 4.970 4.340 -0.000 0.000 0.275 409 L C -0.541 176.341 176.870 0.019 0.000 1.036 409 L CA -0.695 54.089 54.840 -0.094 0.000 0.807 409 L CB 1.429 43.234 42.059 -0.424 0.000 1.231 409 L HN 0.474 nan 8.230 nan 0.000 0.438 410 K N 2.490 122.965 120.400 0.126 0.000 2.501 410 K HA 0.234 4.553 4.320 -0.000 0.000 0.252 410 K C -1.093 175.703 176.600 0.325 0.000 0.934 410 K CA -0.605 55.797 56.287 0.192 0.000 0.797 410 K CB 2.550 35.129 32.500 0.132 0.000 1.270 410 K HN 0.545 nan 8.250 nan 0.000 0.431 411 E N 2.562 122.933 120.200 0.285 0.000 2.257 411 E HA -0.008 4.342 4.350 -0.000 0.000 0.278 411 E C -0.623 175.982 176.600 0.008 0.000 1.049 411 E CA -0.012 56.465 56.400 0.128 0.000 0.876 411 E CB 0.780 30.553 29.700 0.121 0.000 1.035 411 E HN 0.309 nan 8.360 nan 0.000 0.419 412 Q N 5.479 125.231 119.800 -0.080 0.000 2.673 412 Q HA 0.177 4.517 4.340 -0.000 0.000 0.224 412 Q C -1.042 174.910 176.000 -0.079 0.000 1.226 412 Q CA -0.039 55.738 55.803 -0.045 0.000 1.019 412 Q CB 0.213 28.939 28.738 -0.022 0.000 1.312 412 Q HN 0.483 nan 8.270 nan 0.000 0.566 413 K N 1.510 121.878 120.400 -0.055 0.000 1.944 413 K HA 0.593 4.913 4.320 -0.000 0.000 0.252 413 K C -0.822 175.764 176.600 -0.022 0.000 0.834 413 K CA -1.028 55.228 56.287 -0.052 0.000 0.691 413 K CB 1.221 33.676 32.500 -0.075 0.000 1.738 413 K HN 0.237 nan 8.250 nan 0.000 0.540 426 V N 0.578 120.545 119.914 0.087 0.000 3.553 426 V HA 0.290 4.410 4.120 -0.000 0.000 0.287 426 V C 1.503 177.649 176.094 0.086 0.000 1.111 426 V CA 0.089 62.435 62.300 0.075 0.000 0.950 426 V CB 1.118 32.978 31.823 0.062 0.000 1.243 426 V HN 0.944 nan 8.190 nan 0.000 0.443 427 T N 1.671 116.270 114.554 0.075 0.000 3.368 427 T HA -0.141 4.209 4.350 -0.000 0.000 0.270 427 T C 0.990 175.741 174.700 0.084 0.000 1.224 427 T CA 1.340 63.486 62.100 0.076 0.000 1.025 427 T CB -0.898 68.005 68.868 0.059 0.000 0.854 427 T HN 0.860 nan 8.240 nan 0.000 0.604 428 E N 1.387 121.643 120.200 0.093 0.000 2.368 428 E HA 0.060 4.410 4.350 -0.000 0.000 0.188 428 E C 0.125 176.885 176.600 0.267 0.000 1.061 428 E CA -0.380 56.074 56.400 0.090 0.000 0.933 428 E CB -0.202 29.417 29.700 -0.135 0.000 1.091 428 E HN 0.710 nan 8.360 nan 0.000 0.458 429 E N 1.665 122.013 120.200 0.246 0.000 2.290 429 E HA 0.249 4.599 4.350 -0.000 0.000 0.277 429 E C -0.392 176.455 176.600 0.412 0.000 1.035 429 E CA -0.455 56.153 56.400 0.345 0.000 0.873 429 E CB 0.999 30.877 29.700 0.297 0.000 1.029 429 E HN 0.170 nan 8.360 nan 0.000 0.419 430 L N 3.969 125.446 121.223 0.425 0.000 2.334 430 L HA 0.410 4.750 4.340 -0.000 0.000 0.277 430 L C 0.466 177.624 176.870 0.480 0.000 1.075 430 L CA -0.592 54.453 54.840 0.341 0.000 0.804 430 L CB 0.623 42.751 42.059 0.116 0.000 1.174 430 L HN 0.639 nan 8.230 nan 0.000 0.438 431 H N 0.528 119.629 119.070 0.052 0.000 2.864 431 H HA 0.635 5.191 4.556 -0.000 0.000 0.354 431 H C -0.771 174.507 175.328 -0.084 0.000 1.208 431 H CA -0.915 55.110 56.048 -0.038 0.000 1.191 431 H CB 2.430 32.074 29.762 -0.196 0.000 1.889 431 H HN 0.635 nan 8.280 nan 0.000 0.574 432 S N 0.859 116.536 115.700 -0.039 0.000 2.564 432 S HA 0.473 4.943 4.470 -0.000 0.000 0.274 432 S C -1.267 173.372 174.600 0.064 0.000 1.124 432 S CA -0.995 57.216 58.200 0.019 0.000 0.869 432 S CB 1.474 64.661 63.200 -0.022 0.000 1.105 432 S HN 0.407 nan 8.310 nan 0.000 0.472 433 L N 2.123 123.425 121.223 0.132 0.000 2.289 433 L HA 0.593 4.933 4.340 -0.000 0.000 0.285 433 L C 0.090 176.850 176.870 -0.183 0.000 1.049 433 L CA -0.453 54.412 54.840 0.041 0.000 0.804 433 L CB 1.831 43.951 42.059 0.102 0.000 1.195 433 L HN 0.751 nan 8.230 nan 0.000 0.428 434 S N 2.354 117.823 115.700 -0.385 0.000 2.501 434 S HA 0.692 5.162 4.470 -0.000 0.000 0.301 434 S C -0.953 173.229 174.600 -0.697 0.000 1.096 434 S CA -0.385 57.612 58.200 -0.338 0.000 1.063 434 S CB 0.846 63.964 63.200 -0.137 0.000 1.042 434 S HN 0.259 nan 8.310 nan 0.000 0.494 435 F N 1.962 121.976 119.950 0.107 0.000 2.499 435 F HA 0.435 4.962 4.527 -0.000 0.000 0.333 435 F C 0.399 176.413 175.800 0.357 0.000 1.138 435 F CA -0.639 57.487 58.000 0.211 0.000 0.945 435 F CB 1.466 40.581 39.000 0.192 0.000 1.181 435 F HN 0.442 nan 8.300 nan 0.000 0.435 436 E N 1.313 121.717 120.200 0.341 0.000 2.227 436 E HA 0.738 5.087 4.350 -0.000 0.000 0.268 436 E C -0.610 176.062 176.600 0.121 0.000 0.907 436 E CA -0.804 55.717 56.400 0.202 0.000 0.786 436 E CB 2.747 32.511 29.700 0.106 0.000 1.191 436 E HN 0.547 nan 8.360 nan 0.000 0.411 437 T N 0.991 115.514 114.554 -0.053 0.000 2.718 437 T HA 0.308 4.658 4.350 -0.000 0.000 0.306 437 T C -2.046 172.579 174.700 -0.125 0.000 1.485 437 T CA -0.612 61.422 62.100 -0.110 0.000 0.997 437 T CB 1.749 70.455 68.868 -0.271 0.000 1.504 437 T HN 0.455 nan 8.240 nan 0.000 0.497 438 Q N 1.515 121.263 119.800 -0.086 0.000 2.386 438 Q HA 0.579 4.919 4.340 -0.000 0.000 0.274 438 Q C -2.141 173.845 176.000 -0.022 0.000 1.011 438 Q CA -0.808 54.967 55.803 -0.047 0.000 0.867 438 Q CB 1.982 30.720 28.738 -0.001 0.000 1.409 438 Q HN 0.552 nan 8.270 nan 0.000 0.395 439 L N 3.345 124.570 121.223 0.003 0.000 2.257 439 L HA 0.522 4.862 4.340 -0.000 0.000 0.290 439 L C -1.525 175.386 176.870 0.069 0.000 1.044 439 L CA -0.120 54.743 54.840 0.038 0.000 0.810 439 L CB 0.918 43.014 42.059 0.061 0.000 1.193 439 L HN 0.750 nan 8.230 nan 0.000 0.425 440 C N 5.340 124.677 119.300 0.062 0.000 2.281 440 C HA 0.728 5.188 4.460 -0.000 0.000 0.323 440 C C 0.219 175.249 174.990 0.068 0.000 1.270 440 C CA -0.522 58.535 59.018 0.065 0.000 1.559 440 C CB 0.579 28.349 27.740 0.051 0.000 2.239 440 C HN 0.870 nan 8.230 nan 0.000 0.488 441 Q N 2.442 122.287 119.800 0.076 0.000 2.893 441 Q HA 0.455 4.795 4.340 -0.000 0.000 0.331 441 Q C -2.687 173.351 176.000 0.064 0.000 0.893 441 Q CA -1.411 54.434 55.803 0.070 0.000 0.783 441 Q CB 1.433 30.220 28.738 0.082 0.000 1.440 441 Q HN 0.446 nan 8.270 nan 0.000 0.508 442 P HA -0.035 nan 4.420 nan 0.000 0.261 442 P C 0.372 177.709 177.300 0.062 0.000 1.203 442 P CA 1.066 64.196 63.100 0.050 0.000 0.767 442 P CB -0.119 31.608 31.700 0.045 0.000 0.785 443 G N 2.523 111.349 108.800 0.044 0.000 2.380 443 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.298 443 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.298 443 G C -0.220 174.720 174.900 0.067 0.000 0.989 443 G CA 0.480 45.603 45.100 0.038 0.000 0.836 443 G HN 0.632 nan 8.290 nan 0.000 0.511 444 L N -0.244 121.032 121.223 0.089 0.000 2.406 444 L HA 0.792 5.132 4.340 -0.000 0.000 0.272 444 L C -0.708 176.244 176.870 0.137 0.000 0.980 444 L CA -1.021 53.899 54.840 0.135 0.000 0.831 444 L CB 2.456 44.616 42.059 0.169 0.000 1.253 444 L HN 0.064 nan 8.230 nan 0.000 0.406 445 V N 6.732 126.741 119.914 0.158 0.000 2.610 445 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 445 V C -0.539 175.668 176.094 0.189 0.000 1.067 445 V CA -0.315 62.069 62.300 0.140 0.000 0.894 445 V CB 1.860 33.736 31.823 0.088 0.000 1.015 445 V HN 0.634 nan 8.190 nan 0.000 0.432 446 I N 3.554 124.219 120.570 0.159 0.000 2.498 446 I HA 0.495 4.665 4.170 -0.000 0.000 0.290 446 I C -0.867 175.280 176.117 0.050 0.000 1.032 446 I CA -0.566 60.815 61.300 0.134 0.000 1.073 446 I CB 2.341 40.406 38.000 0.109 0.000 1.251 446 I HN 0.480 nan 8.210 nan 0.000 0.426 447 D N 7.341 127.765 120.400 0.040 0.000 2.198 447 D HA 0.515 5.155 4.640 -0.000 0.000 0.245 447 D C -0.606 175.676 176.300 -0.030 0.000 1.079 447 D CA -0.169 53.834 54.000 0.004 0.000 0.854 447 D CB 2.260 43.077 40.800 0.029 0.000 1.148 447 D HN 0.238 nan 8.370 nan 0.000 0.456 448 L N 1.740 122.900 121.223 -0.105 0.000 2.334 448 L HA 0.528 4.868 4.340 -0.000 0.000 0.276 448 L C 0.146 176.976 176.870 -0.066 0.000 1.014 448 L CA -0.586 54.152 54.840 -0.170 0.000 0.815 448 L CB 2.012 43.762 42.059 -0.515 0.000 1.268 448 L HN 0.350 nan 8.230 nan 0.000 0.428 449 E N 1.751 122.062 120.200 0.186 0.000 2.375 449 E HA 0.578 4.928 4.350 -0.000 0.000 0.280 449 E C -1.802 175.056 176.600 0.430 0.000 0.972 449 E CA -0.390 56.221 56.400 0.352 0.000 0.782 449 E CB 2.964 32.771 29.700 0.179 0.000 1.229 449 E HN 0.534 nan 8.360 nan 0.000 0.439 450 T N 0.957 115.753 114.554 0.404 0.000 2.830 450 T HA 0.495 4.845 4.350 -0.000 0.000 0.322 450 T C -1.611 173.220 174.700 0.219 0.000 1.501 450 T CA 0.016 62.241 62.100 0.209 0.000 1.036 450 T CB 1.626 70.503 68.868 0.014 0.000 1.379 450 T HN 0.668 nan 8.240 nan 0.000 0.493 451 T N -0.332 114.314 114.554 0.154 0.000 2.906 451 T HA 0.774 5.124 4.350 -0.000 0.000 0.295 451 T C 0.374 175.169 174.700 0.160 0.000 1.075 451 T CA -0.217 61.992 62.100 0.181 0.000 1.005 451 T CB 1.434 70.353 68.868 0.086 0.000 1.136 451 T HN 0.942 nan 8.240 nan 0.000 0.498 452 S N 1.800 117.630 115.700 0.217 0.000 2.626 452 S HA 0.533 5.003 4.470 -0.000 0.000 0.257 452 S C 0.455 175.086 174.600 0.053 0.000 1.288 452 S CA -0.992 57.299 58.200 0.151 0.000 0.980 452 S CB -0.211 63.122 63.200 0.221 0.000 0.975 452 S HN 0.748 nan 8.310 nan 0.000 0.577 453 L N 1.905 123.130 121.223 0.004 0.000 2.473 453 L HA 0.324 4.664 4.340 -0.000 0.000 0.268 453 L C -1.765 175.013 176.870 -0.154 0.000 1.215 453 L CA -2.025 52.761 54.840 -0.091 0.000 0.823 453 L CB -0.036 41.959 42.059 -0.106 0.000 1.099 453 L HN 0.556 nan 8.230 nan 0.000 0.483 454 P HA 0.002 nan 4.420 nan 0.000 0.266 454 P C -0.777 176.396 177.300 -0.211 0.000 1.193 454 P CA 0.071 62.977 63.100 -0.323 0.000 0.770 454 P CB 0.814 32.120 31.700 -0.656 0.000 0.836 455 V N 2.782 122.652 119.914 -0.073 0.000 3.019 455 V HA 0.420 4.540 4.120 -0.000 0.000 0.317 455 V C 0.196 176.262 176.094 -0.046 0.000 1.094 455 V CA -0.801 61.472 62.300 -0.045 0.000 1.000 455 V CB 2.479 34.312 31.823 0.016 0.000 1.060 455 V HN 0.259 nan 8.190 nan 0.000 0.443 456 V N 2.671 122.532 119.914 -0.088 0.000 2.531 456 V HA 0.487 4.607 4.120 -0.000 0.000 0.301 456 V C -0.488 175.469 176.094 -0.228 0.000 1.034 456 V CA -0.552 61.685 62.300 -0.104 0.000 0.865 456 V CB 1.948 33.764 31.823 -0.012 0.000 0.995 456 V HN 0.582 nan 8.190 nan 0.000 0.424 457 V N 6.505 126.197 119.914 -0.370 0.000 2.472 457 V HA 0.636 4.756 4.120 -0.000 0.000 0.290 457 V C -0.110 175.807 176.094 -0.295 0.000 1.037 457 V CA -0.399 61.593 62.300 -0.513 0.000 0.908 457 V CB 1.508 32.670 31.823 -1.101 0.000 0.985 457 V HN 0.833 nan 8.190 nan 0.000 0.454 458 I N 1.078 121.506 120.570 -0.237 0.000 3.042 458 I HA 0.651 4.821 4.170 -0.000 0.000 0.310 458 I C 0.448 176.518 176.117 -0.079 0.000 1.117 458 I CA -0.365 60.872 61.300 -0.106 0.000 1.003 458 I CB 2.254 40.207 38.000 -0.078 0.000 1.228 458 I HN 0.317 nan 8.210 nan 0.000 0.443 459 S N 0.699 116.389 115.700 -0.017 0.000 2.468 459 S HA 0.174 4.644 4.470 -0.000 0.000 0.226 459 S C 0.458 175.053 174.600 -0.008 0.000 1.051 459 S CA 0.177 58.380 58.200 0.005 0.000 0.943 459 S CB -0.120 63.103 63.200 0.038 0.000 0.810 459 S HN 0.763 nan 8.310 nan 0.000 0.509 460 N N 0.594 119.287 118.700 -0.011 0.000 2.240 460 N HA 0.205 4.945 4.740 -0.000 0.000 0.302 460 N C 0.993 176.485 175.510 -0.029 0.000 1.106 460 N CA -0.150 52.893 53.050 -0.012 0.000 0.778 460 N CB 2.001 40.491 38.487 0.005 0.000 1.431 460 N HN -0.118 nan 8.380 nan 0.000 0.479 461 V N 2.134 122.027 119.914 -0.035 0.000 2.313 461 V HA -0.318 3.802 4.120 -0.000 0.000 0.253 461 V C 2.430 178.509 176.094 -0.025 0.000 1.070 461 V CA 2.578 64.845 62.300 -0.054 0.000 1.057 461 V CB -1.335 30.480 31.823 -0.014 0.000 0.653 461 V HN 0.868 nan 8.190 nan 0.000 0.450 462 S N 0.354 116.054 115.700 -0.001 0.000 2.461 462 S HA -0.341 4.129 4.470 -0.000 0.000 0.246 462 S C 1.739 176.356 174.600 0.029 0.000 1.007 462 S CA 2.000 60.210 58.200 0.016 0.000 0.976 462 S CB -0.602 62.610 63.200 0.021 0.000 0.763 462 S HN 0.807 nan 8.310 nan 0.000 0.508 463 Q N 0.184 119.997 119.800 0.021 0.000 2.402 463 Q HA 0.328 4.668 4.340 -0.000 0.000 0.206 463 Q C 1.968 178.011 176.000 0.072 0.000 0.919 463 Q CA 0.220 56.050 55.803 0.044 0.000 0.923 463 Q CB -0.295 28.458 28.738 0.026 0.000 1.048 463 Q HN 0.472 nan 8.270 nan 0.000 0.515 464 L N 1.842 123.090 121.223 0.042 0.000 1.997 464 L HA -0.232 4.107 4.340 -0.000 0.000 0.216 464 L C -0.510 176.491 176.870 0.219 0.000 1.074 464 L CA 1.909 56.794 54.840 0.075 0.000 0.763 464 L CB -1.454 40.600 42.059 -0.008 0.000 0.890 464 L HN 0.231 nan 8.230 nan 0.000 0.434 465 P HA -0.175 nan 4.420 nan 0.000 0.214 465 P C 1.537 179.178 177.300 0.569 0.000 1.163 465 P CA 2.195 65.547 63.100 0.420 0.000 0.889 465 P CB -0.068 31.747 31.700 0.192 0.000 0.790 466 S N 0.403 116.305 115.700 0.337 0.000 2.348 466 S HA -0.096 4.374 4.470 -0.000 0.000 0.221 466 S C 2.517 177.266 174.600 0.248 0.000 1.033 466 S CA 1.503 59.871 58.200 0.280 0.000 1.010 466 S CB -1.889 61.409 63.200 0.163 0.000 0.891 466 S HN 0.324 nan 8.310 nan 0.000 0.442 467 G N 1.099 110.023 108.800 0.207 0.000 2.476 467 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 467 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 467 G C 1.152 176.176 174.900 0.207 0.000 1.164 467 G CA 0.834 46.037 45.100 0.172 0.000 0.768 467 G HN 0.616 nan 8.290 nan 0.000 0.560 468 W N 1.808 123.164 121.300 0.093 0.000 2.331 468 W HA -0.134 4.526 4.660 -0.000 0.000 0.291 468 W C 2.544 179.042 176.519 -0.034 0.000 1.214 468 W CA 1.614 58.991 57.345 0.053 0.000 1.228 468 W CB -0.124 29.405 29.460 0.115 0.000 1.135 468 W HN 0.341 nan 8.180 nan 0.000 0.537 469 A N 0.702 123.441 122.820 -0.134 0.000 1.883 469 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 469 A C 2.106 179.785 177.584 0.158 0.000 1.186 469 A CA 2.506 54.401 52.037 -0.238 0.000 0.624 469 A CB -1.196 17.808 19.000 0.007 0.000 0.822 469 A HN 0.321 nan 8.150 nan 0.000 0.444 470 S N 0.261 116.094 115.700 0.222 0.000 2.351 470 S HA -0.159 4.311 4.470 -0.000 0.000 0.220 470 S C 1.830 176.555 174.600 0.208 0.000 1.035 470 S CA 1.533 59.854 58.200 0.201 0.000 1.031 470 S CB -0.514 62.760 63.200 0.124 0.000 0.928 470 S HN 0.470 nan 8.310 nan 0.000 0.433 471 I N 1.851 122.395 120.570 -0.043 0.000 2.185 471 I HA -0.198 3.972 4.170 -0.000 0.000 0.246 471 I C 2.281 178.186 176.117 -0.354 0.000 1.088 471 I CA 1.298 62.463 61.300 -0.225 0.000 1.347 471 I CB -1.533 36.245 38.000 -0.369 0.000 1.041 471 I HN 0.263 nan 8.210 nan 0.000 0.415 472 L N -0.914 119.958 121.223 -0.584 0.000 1.989 472 L HA -0.271 4.069 4.340 -0.000 0.000 0.211 472 L C 2.675 179.437 176.870 -0.179 0.000 1.071 472 L CA 1.801 56.335 54.840 -0.510 0.000 0.749 472 L CB -0.480 41.212 42.059 -0.611 0.000 0.890 472 L HN 0.427 nan 8.230 nan 0.000 0.431 473 W N -0.346 120.859 121.300 -0.158 0.000 2.353 473 W HA -0.327 4.333 4.660 -0.000 0.000 0.319 473 W C 2.710 179.135 176.519 -0.157 0.000 1.207 473 W CA 1.955 59.279 57.345 -0.035 0.000 1.291 473 W CB -0.702 28.914 29.460 0.260 0.000 1.159 473 W HN 0.181 nan 8.180 nan 0.000 0.478 474 Y N 1.934 122.106 120.300 -0.214 0.000 2.014 474 Y HA -0.378 4.172 4.550 -0.000 0.000 0.272 474 Y C 2.424 177.929 175.900 -0.658 0.000 1.164 474 Y CA 2.769 60.324 58.100 -0.909 0.000 1.114 474 Y CB -1.049 36.939 38.460 -0.787 0.000 0.961 474 Y HN -0.076 nan 8.280 nan 0.000 0.489 475 N N 0.072 118.709 118.700 -0.105 0.000 2.381 475 N HA -0.189 4.551 4.740 -0.000 0.000 0.182 475 N C 1.880 177.251 175.510 -0.231 0.000 1.025 475 N CA 1.467 54.448 53.050 -0.116 0.000 0.888 475 N CB -0.260 38.191 38.487 -0.060 0.000 0.965 475 N HN 0.559 nan 8.380 nan 0.000 0.438 476 M N 0.185 119.599 119.600 -0.309 0.000 2.349 476 M HA -0.012 4.468 4.480 -0.000 0.000 0.266 476 M C 1.274 177.349 176.300 -0.376 0.000 1.076 476 M CA 1.159 56.264 55.300 -0.324 0.000 1.126 476 M CB 0.315 32.658 32.600 -0.428 0.000 1.392 476 M HN 0.016 nan 8.290 nan 0.000 0.440 477 L N -0.956 119.984 121.223 -0.471 0.000 2.349 477 L HA 0.212 4.552 4.340 -0.000 0.000 0.200 477 L C 0.849 177.493 176.870 -0.378 0.000 1.064 477 L CA -0.383 54.217 54.840 -0.401 0.000 0.821 477 L CB -0.091 41.748 42.059 -0.366 0.000 1.027 477 L HN -0.058 nan 8.230 nan 0.000 0.476 478 V N -0.051 119.493 119.914 -0.616 0.000 3.133 478 V HA 0.316 4.436 4.120 -0.000 0.000 0.305 478 V C 0.960 176.837 176.094 -0.361 0.000 1.084 478 V CA 0.561 62.503 62.300 -0.597 0.000 1.089 478 V CB 1.333 32.416 31.823 -1.234 0.000 1.073 478 V HN 0.300 nan 8.190 nan 0.000 0.477 479 A N 0.748 123.433 122.820 -0.225 0.000 2.242 479 A HA 0.315 4.635 4.320 -0.000 0.000 0.205 479 A C 0.703 178.257 177.584 -0.050 0.000 1.353 479 A CA -0.202 51.766 52.037 -0.114 0.000 1.005 479 A CB -0.024 18.924 19.000 -0.086 0.000 1.127 479 A HN 0.830 nan 8.150 nan 0.000 0.498 480 E N 0.982 121.154 120.200 -0.046 0.000 2.371 480 E HA 0.233 4.583 4.350 -0.000 0.000 0.257 480 E C -1.850 174.801 176.600 0.085 0.000 1.134 480 E CA -1.358 55.051 56.400 0.015 0.000 0.919 480 E CB 0.677 30.384 29.700 0.010 0.000 1.025 480 E HN 0.175 nan 8.360 nan 0.000 0.438 481 P HA 0.114 nan 4.420 nan 0.000 0.259 481 P C -0.398 176.921 177.300 0.031 0.000 1.233 481 P CA 0.399 63.528 63.100 0.049 0.000 0.827 481 P CB 0.805 32.528 31.700 0.038 0.000 1.154 482 R N 0.566 121.098 120.500 0.053 0.000 2.604 482 R HA 0.359 4.699 4.340 -0.000 0.000 0.281 482 R C -0.045 176.288 176.300 0.055 0.000 1.020 482 R CA -0.299 55.819 56.100 0.030 0.000 0.899 482 R CB 1.776 32.080 30.300 0.006 0.000 1.205 482 R HN 0.011 nan 8.270 nan 0.000 0.450 483 N N 0.716 119.448 118.700 0.052 0.000 2.439 483 N HA -0.024 4.716 4.740 -0.000 0.000 0.318 483 N C 0.717 176.248 175.510 0.035 0.000 0.676 483 N CA -0.017 53.067 53.050 0.057 0.000 0.624 483 N CB 0.236 38.794 38.487 0.119 0.000 2.376 483 N HN 0.460 nan 8.380 nan 0.000 1.245 484 L N 0.722 121.977 121.223 0.053 0.000 4.839 484 L HA -0.271 4.069 4.340 -0.000 0.000 0.445 484 L C 0.423 177.342 176.870 0.083 0.000 1.101 484 L CA 1.623 56.490 54.840 0.046 0.000 0.952 484 L CB -1.782 40.269 42.059 -0.013 0.000 1.871 484 L HN 0.535 nan 8.230 nan 0.000 0.893 485 S N -2.070 113.671 115.700 0.067 0.000 2.650 485 S HA 0.153 4.623 4.470 -0.000 0.000 0.240 485 S C 0.960 175.584 174.600 0.040 0.000 1.007 485 S CA -0.092 58.140 58.200 0.053 0.000 0.984 485 S CB 0.069 63.268 63.200 -0.002 0.000 0.910 485 S HN 0.348 nan 8.310 nan 0.000 0.509 486 F N 2.723 122.587 119.950 -0.143 0.000 2.115 486 F HA 0.001 4.528 4.527 -0.000 0.000 0.300 486 F C 0.384 175.970 175.800 -0.357 0.000 1.092 486 F CA 1.128 58.943 58.000 -0.309 0.000 1.245 486 F CB -0.364 38.362 39.000 -0.456 0.000 0.995 486 F HN 0.285 nan 8.300 nan 0.000 0.481 487 F N 1.449 121.348 119.950 -0.084 0.000 2.733 487 F HA 0.224 4.751 4.527 -0.000 0.000 0.344 487 F C 0.742 176.451 175.800 -0.151 0.000 1.179 487 F CA 0.033 57.877 58.000 -0.261 0.000 1.316 487 F CB -0.512 38.380 39.000 -0.180 0.000 1.577 487 F HN -0.001 nan 8.300 nan 0.000 0.591 488 L N -1.037 120.156 121.223 -0.051 0.000 3.017 488 L HA 0.158 4.498 4.340 -0.000 0.000 0.265 488 L C 0.559 177.398 176.870 -0.051 0.000 1.128 488 L CA 0.385 55.217 54.840 -0.012 0.000 0.984 488 L CB 0.762 42.813 42.059 -0.013 0.000 1.464 488 L HN 0.039 nan 8.230 nan 0.000 0.556 489 T N -0.118 114.352 114.554 -0.140 0.000 3.884 489 T HA 0.220 4.569 4.350 -0.000 0.000 0.284 489 T C -2.519 172.044 174.700 -0.228 0.000 0.961 489 T CA -0.693 61.330 62.100 -0.129 0.000 1.071 489 T CB 0.530 69.332 68.868 -0.109 0.000 1.121 489 T HN -0.187 nan 8.240 nan 0.000 0.496 490 P HA 0.049 nan 4.420 nan 0.000 0.255 490 P C -2.205 175.077 177.300 -0.030 0.000 1.151 490 P CA -0.412 62.484 63.100 -0.339 0.000 0.767 490 P CB -0.164 31.461 31.700 -0.125 0.000 0.736 491 P HA 0.020 nan 4.420 nan 0.000 0.281 491 P C -0.202 177.300 177.300 0.336 0.000 1.274 491 P CA -0.031 63.130 63.100 0.103 0.000 0.794 491 P CB 0.499 32.228 31.700 0.049 0.000 1.201 492 C N -1.346 118.090 119.300 0.227 0.000 2.531 492 C HA 0.852 5.312 4.460 -0.000 0.000 0.369 492 C C 0.136 175.205 174.990 0.131 0.000 1.258 492 C CA -0.204 59.002 59.018 0.313 0.000 1.876 492 C CB 1.178 29.028 27.740 0.185 0.000 2.256 492 C HN 0.561 nan 8.230 nan 0.000 0.510 493 A N 0.717 123.611 122.820 0.123 0.000 2.343 493 A HA 0.711 5.031 4.320 -0.000 0.000 0.316 493 A C -0.560 177.025 177.584 0.002 0.000 1.104 493 A CA -0.519 51.444 52.037 -0.123 0.000 0.768 493 A CB 0.602 19.358 19.000 -0.407 0.000 1.213 493 A HN 0.863 nan 8.150 nan 0.000 0.456 494 R N 2.166 122.635 120.500 -0.052 0.000 2.296 494 R HA -0.001 4.339 4.340 -0.000 0.000 0.323 494 R C 0.956 177.280 176.300 0.040 0.000 1.067 494 R CA -0.335 55.770 56.100 0.009 0.000 0.946 494 R CB 0.519 30.795 30.300 -0.040 0.000 0.991 494 R HN 0.977 nan 8.270 nan 0.000 0.448 495 W N 4.073 125.339 121.300 -0.056 0.000 2.290 495 W HA -0.365 4.295 4.660 -0.000 0.000 0.311 495 W C 1.229 177.704 176.519 -0.072 0.000 1.238 495 W CA 1.915 59.230 57.345 -0.050 0.000 1.255 495 W CB -0.015 29.429 29.460 -0.028 0.000 1.145 495 W HN 0.719 nan 8.180 nan 0.000 0.506 496 A N 0.181 122.872 122.820 -0.215 0.000 2.032 496 A HA -0.319 4.001 4.320 -0.000 0.000 0.221 496 A C 1.935 179.270 177.584 -0.415 0.000 1.165 496 A CA 2.222 54.055 52.037 -0.341 0.000 0.645 496 A CB -0.930 17.978 19.000 -0.153 0.000 0.807 496 A HN 0.667 nan 8.150 nan 0.000 0.453 497 Q N -1.171 118.420 119.800 -0.349 0.000 2.200 497 Q HA 0.148 4.488 4.340 -0.000 0.000 0.197 497 Q C 2.025 177.751 176.000 -0.457 0.000 0.953 497 Q CA 0.457 56.036 55.803 -0.373 0.000 0.851 497 Q CB -0.146 28.422 28.738 -0.283 0.000 0.938 497 Q HN 0.596 nan 8.270 nan 0.000 0.488 498 L N 1.093 122.093 121.223 -0.371 0.000 2.083 498 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 498 L C 2.443 179.064 176.870 -0.415 0.000 1.083 498 L CA 1.854 56.536 54.840 -0.263 0.000 0.752 498 L CB -0.440 41.679 42.059 0.100 0.000 0.899 498 L HN 0.421 nan 8.230 nan 0.000 0.433 499 S N -1.083 114.027 115.700 -0.983 0.000 2.359 499 S HA -0.296 4.174 4.470 -0.000 0.000 0.224 499 S C 1.758 175.986 174.600 -0.620 0.000 1.035 499 S CA 1.501 59.022 58.200 -1.131 0.000 1.018 499 S CB -0.497 61.655 63.200 -1.747 0.000 0.876 499 S HN 0.509 nan 8.310 nan 0.000 0.448 500 E N 0.832 120.619 120.200 -0.689 0.000 2.038 500 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 500 E C 2.084 177.988 176.600 -1.159 0.000 1.000 500 E CA 1.509 57.409 56.400 -0.833 0.000 0.803 500 E CB -0.299 28.870 29.700 -0.884 0.000 0.750 500 E HN 0.412 nan 8.360 nan 0.000 0.448 501 V N 1.375 120.682 119.914 -1.011 0.000 2.380 501 V HA -0.304 3.815 4.120 -0.000 0.000 0.251 501 V C 2.390 178.470 176.094 -0.023 0.000 1.063 501 V CA 1.591 63.553 62.300 -0.563 0.000 1.055 501 V CB -0.486 31.167 31.823 -0.283 0.000 0.657 501 V HN 0.314 nan 8.190 nan 0.000 0.455 502 L N -0.127 121.113 121.223 0.029 0.000 2.005 502 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 502 L C 2.787 179.869 176.870 0.354 0.000 1.072 502 L CA 1.878 56.912 54.840 0.323 0.000 0.744 502 L CB -0.730 41.534 42.059 0.341 0.000 0.895 502 L HN 0.446 nan 8.230 nan 0.000 0.433 503 S N -0.521 115.257 115.700 0.130 0.000 2.368 503 S HA -0.256 4.214 4.470 -0.000 0.000 0.226 503 S C 1.855 176.727 174.600 0.454 0.000 1.044 503 S CA 1.687 60.011 58.200 0.207 0.000 1.062 503 S CB -0.470 62.773 63.200 0.072 0.000 0.931 503 S HN 0.406 nan 8.310 nan 0.000 0.440 504 W N 1.688 123.117 121.300 0.215 0.000 2.305 504 W HA -0.082 4.578 4.660 -0.000 0.000 0.308 504 W C 2.647 179.318 176.519 0.253 0.000 1.226 504 W CA 0.959 58.423 57.345 0.199 0.000 1.253 504 W CB -1.532 28.015 29.460 0.146 0.000 1.146 504 W HN 0.420 nan 8.180 nan 0.000 0.507 505 Q N -1.059 119.083 119.800 0.569 0.000 2.181 505 Q HA -0.161 4.179 4.340 -0.000 0.000 0.205 505 Q C 2.112 178.243 176.000 0.218 0.000 0.980 505 Q CA 1.427 57.491 55.803 0.435 0.000 0.862 505 Q CB -1.157 27.913 28.738 0.554 0.000 0.905 505 Q HN 0.331 nan 8.270 nan 0.000 0.429 506 F N 0.582 120.665 119.950 0.221 0.000 2.147 506 F HA -0.035 4.492 4.527 -0.000 0.000 0.291 506 F C 2.035 177.958 175.800 0.205 0.000 1.093 506 F CA 0.985 59.081 58.000 0.160 0.000 1.263 506 F CB -0.523 38.606 39.000 0.214 0.000 1.036 506 F HN -0.101 nan 8.300 nan 0.000 0.481 507 S N -0.591 115.378 115.700 0.448 0.000 3.054 507 S HA 0.004 4.474 4.470 -0.000 0.000 0.243 507 S C 0.980 175.696 174.600 0.192 0.000 1.013 507 S CA 0.558 58.946 58.200 0.314 0.000 1.119 507 S CB -1.013 62.370 63.200 0.304 0.000 0.838 507 S HN 0.395 nan 8.310 nan 0.000 0.505 508 S N -1.870 113.923 115.700 0.154 0.000 2.700 508 S HA 0.209 4.679 4.470 -0.000 0.000 0.272 508 S C 0.731 175.341 174.600 0.018 0.000 1.052 508 S CA 0.043 58.283 58.200 0.067 0.000 1.317 508 S CB 0.036 63.273 63.200 0.060 0.000 1.212 508 S HN 0.303 nan 8.310 nan 0.000 0.675 509 V N 2.244 122.165 119.914 0.012 0.000 3.570 509 V HA 0.336 4.455 4.120 -0.000 0.000 0.257 509 V C 1.164 177.261 176.094 0.005 0.000 1.272 509 V CA 1.209 63.480 62.300 -0.048 0.000 1.079 509 V CB 0.468 32.201 31.823 -0.151 0.000 0.829 509 V HN 0.814 nan 8.190 nan 0.000 0.454 510 T N -3.111 111.499 114.554 0.094 0.000 2.742 510 T HA 0.378 4.728 4.350 -0.000 0.000 0.282 510 T C 0.262 175.090 174.700 0.214 0.000 1.025 510 T CA -0.635 61.583 62.100 0.197 0.000 1.020 510 T CB 2.192 71.291 68.868 0.385 0.000 1.317 510 T HN -0.025 nan 8.240 nan 0.000 0.538 511 K N 0.159 120.699 120.400 0.234 0.000 2.404 511 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 511 K C 0.704 177.415 176.600 0.184 0.000 1.023 511 K CA -0.013 56.375 56.287 0.167 0.000 1.094 511 K CB 0.117 32.691 32.500 0.123 0.000 0.841 511 K HN 0.549 nan 8.250 nan 0.000 0.523 512 R N -1.060 119.618 120.500 0.297 0.000 2.626 512 R HA 0.430 4.770 4.340 -0.000 0.000 0.274 512 R C -0.257 176.316 176.300 0.455 0.000 1.031 512 R CA -0.857 55.404 56.100 0.267 0.000 0.898 512 R CB 1.149 31.504 30.300 0.093 0.000 1.222 512 R HN -0.052 nan 8.270 nan 0.000 0.455 513 G N 2.051 111.055 108.800 0.341 0.000 2.630 513 G HA2 0.451 4.410 3.960 -0.000 0.000 0.223 513 G HA3 0.451 4.410 3.960 -0.000 0.000 0.223 513 G C -0.550 174.539 174.900 0.314 0.000 1.434 513 G CA -1.091 44.245 45.100 0.392 0.000 1.057 513 G HN 0.362 nan 8.290 nan 0.000 0.570 514 L N 0.659 121.986 121.223 0.172 0.000 2.344 514 L HA 0.383 4.723 4.340 -0.000 0.000 0.272 514 L C -0.088 176.822 176.870 0.067 0.000 1.035 514 L CA -0.956 53.925 54.840 0.068 0.000 0.807 514 L CB 1.846 43.849 42.059 -0.092 0.000 1.237 514 L HN 0.759 nan 8.230 nan 0.000 0.442 515 N N 0.144 118.884 118.700 0.068 0.000 2.592 515 N HA 0.367 5.107 4.740 -0.000 0.000 0.292 515 N C 0.578 176.125 175.510 0.062 0.000 1.260 515 N CA -0.976 52.107 53.050 0.055 0.000 0.910 515 N CB 0.544 39.058 38.487 0.045 0.000 1.257 515 N HN 0.189 nan 8.380 nan 0.000 0.569 516 V N 0.015 119.962 119.914 0.056 0.000 2.220 516 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 516 V C 1.470 177.620 176.094 0.095 0.000 1.056 516 V CA 2.383 64.724 62.300 0.068 0.000 1.016 516 V CB -0.821 31.035 31.823 0.056 0.000 0.639 516 V HN 0.686 nan 8.190 nan 0.000 0.446 517 D N -0.264 120.187 120.400 0.086 0.000 2.106 517 D HA -0.232 4.408 4.640 -0.000 0.000 0.191 517 D C 2.322 178.708 176.300 0.144 0.000 0.997 517 D CA 1.833 55.891 54.000 0.098 0.000 0.834 517 D CB -0.334 40.509 40.800 0.072 0.000 0.956 517 D HN 0.612 nan 8.370 nan 0.000 0.448 518 Q N 0.259 120.157 119.800 0.165 0.000 2.061 518 Q HA -0.102 4.238 4.340 -0.000 0.000 0.204 518 Q C 2.668 178.754 176.000 0.143 0.000 0.984 518 Q CA 0.799 56.741 55.803 0.233 0.000 0.846 518 Q CB -0.182 28.713 28.738 0.261 0.000 0.902 518 Q HN 0.305 nan 8.270 nan 0.000 0.421 519 L N 0.865 122.168 121.223 0.134 0.000 2.012 519 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 519 L C 2.125 179.208 176.870 0.355 0.000 1.073 519 L CA 0.915 55.897 54.840 0.236 0.000 0.748 519 L CB -0.633 41.531 42.059 0.174 0.000 0.891 519 L HN 0.293 nan 8.230 nan 0.000 0.431 520 N N -0.089 118.760 118.700 0.248 0.000 2.036 520 N HA -0.271 4.469 4.740 -0.000 0.000 0.195 520 N C 1.865 177.441 175.510 0.110 0.000 1.037 520 N CA 1.723 54.885 53.050 0.185 0.000 0.855 520 N CB -0.403 38.162 38.487 0.129 0.000 1.033 520 N HN 0.319 nan 8.380 nan 0.000 0.423 521 M N 1.179 120.865 119.600 0.143 0.000 2.082 521 M HA -0.154 4.326 4.480 -0.000 0.000 0.258 521 M C 1.877 178.249 176.300 0.119 0.000 1.069 521 M CA 1.437 56.825 55.300 0.147 0.000 1.102 521 M CB -0.411 32.343 32.600 0.256 0.000 1.336 521 M HN 0.107 nan 8.290 nan 0.000 0.404 522 L N -0.685 120.632 121.223 0.156 0.000 2.141 522 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 522 L C 2.636 179.340 176.870 -0.276 0.000 1.094 522 L CA 1.078 56.008 54.840 0.150 0.000 0.763 522 L CB -1.481 40.774 42.059 0.327 0.000 0.908 522 L HN 0.440 nan 8.230 nan 0.000 0.437 523 G N 0.118 108.660 108.800 -0.432 0.000 2.511 523 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 523 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 523 G C 1.361 175.827 174.900 -0.724 0.000 1.218 523 G CA 0.620 44.998 45.100 -1.205 0.000 0.788 523 G HN 0.377 nan 8.290 nan 0.000 0.560 524 E N 0.361 120.351 120.200 -0.349 0.000 2.070 524 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 524 E C 2.242 178.716 176.600 -0.210 0.000 1.004 524 E CA 1.024 57.289 56.400 -0.225 0.000 0.805 524 E CB -0.207 29.427 29.700 -0.111 0.000 0.744 524 E HN 0.418 nan 8.360 nan 0.000 0.451 525 K N 0.565 120.866 120.400 -0.165 0.000 2.640 525 K HA -0.107 4.213 4.320 -0.000 0.000 0.193 525 K C 1.433 177.904 176.600 -0.215 0.000 1.036 525 K CA 0.407 56.616 56.287 -0.129 0.000 0.962 525 K CB 0.129 32.615 32.500 -0.023 0.000 0.791 525 K HN 0.122 nan 8.250 nan 0.000 0.491 526 L N -1.406 119.627 121.223 -0.317 0.000 2.713 526 L HA 0.096 4.436 4.340 -0.000 0.000 0.223 526 L C 1.236 177.951 176.870 -0.259 0.000 1.040 526 L CA -0.029 54.607 54.840 -0.341 0.000 0.894 526 L CB 0.279 42.040 42.059 -0.495 0.000 1.361 526 L HN 0.009 nan 8.230 nan 0.000 0.490 527 L N 0.154 121.198 121.223 -0.300 0.000 2.769 527 L HA 0.404 4.744 4.340 -0.000 0.000 0.240 527 L C 1.077 177.856 176.870 -0.151 0.000 1.163 527 L CA 0.240 54.957 54.840 -0.206 0.000 0.962 527 L CB -0.032 41.888 42.059 -0.232 0.000 1.258 527 L HN 0.397 nan 8.230 nan 0.000 0.513 528 G N 1.744 110.455 108.800 -0.148 0.000 2.525 528 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.248 528 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.248 528 G C -1.993 172.849 174.900 -0.097 0.000 1.238 528 G CA 0.058 45.095 45.100 -0.105 0.000 0.926 528 G HN 0.156 nan 8.290 nan 0.000 0.574 529 P HA 0.063 nan 4.420 nan 0.000 0.220 529 P C 0.761 178.033 177.300 -0.048 0.000 1.154 529 P CA 0.775 63.843 63.100 -0.053 0.000 0.830 529 P CB 0.106 31.784 31.700 -0.038 0.000 0.803 530 N N 1.229 119.901 118.700 -0.046 0.000 3.115 530 N HA 0.165 4.905 4.740 -0.000 0.000 0.305 530 N C 0.128 175.612 175.510 -0.042 0.000 1.305 530 N CA 0.108 53.139 53.050 -0.033 0.000 1.154 530 N CB -0.472 38.000 38.487 -0.025 0.000 1.454 530 N HN 0.143 nan 8.380 nan 0.000 0.551 531 A N 0.531 123.316 122.820 -0.059 0.000 2.524 531 A HA 0.222 4.542 4.320 -0.000 0.000 0.250 531 A C 0.651 178.235 177.584 -0.000 0.000 1.078 531 A CA 0.091 52.078 52.037 -0.083 0.000 0.761 531 A CB 0.295 19.222 19.000 -0.123 0.000 1.012 531 A HN 0.257 nan 8.150 nan 0.000 0.500 532 S N 3.062 118.782 115.700 0.034 0.000 2.548 532 S HA 0.698 5.168 4.470 -0.000 0.000 0.286 532 S C -1.827 172.887 174.600 0.189 0.000 1.098 532 S CA -1.333 56.921 58.200 0.091 0.000 0.930 532 S CB 1.671 64.904 63.200 0.054 0.000 1.070 532 S HN 0.485 nan 8.310 nan 0.000 0.480 533 P HA -0.010 nan 4.420 nan 0.000 0.222 533 P C 0.038 177.403 177.300 0.107 0.000 1.147 533 P CA 1.058 64.245 63.100 0.146 0.000 0.790 533 P CB 0.074 31.811 31.700 0.062 0.000 0.780 534 D N -0.198 120.256 120.400 0.090 0.000 2.463 534 D HA 0.151 4.791 4.640 -0.000 0.000 0.224 534 D C 1.295 177.639 176.300 0.074 0.000 1.174 534 D CA -0.019 54.017 54.000 0.061 0.000 0.829 534 D CB 0.370 41.190 40.800 0.032 0.000 0.993 534 D HN 0.096 nan 8.370 nan 0.000 0.497 535 G N 0.414 109.285 108.800 0.118 0.000 2.647 535 G HA2 0.370 4.330 3.960 -0.000 0.000 0.271 535 G HA3 0.370 4.330 3.960 -0.000 0.000 0.271 535 G C -0.248 174.710 174.900 0.098 0.000 1.300 535 G CA -0.135 45.020 45.100 0.091 0.000 0.997 535 G HN 0.201 nan 8.290 nan 0.000 0.533 536 L N -0.375 120.897 121.223 0.081 0.000 2.541 536 L HA 0.318 4.658 4.340 -0.000 0.000 0.266 536 L C -1.185 175.755 176.870 0.116 0.000 0.966 536 L CA -0.505 54.392 54.840 0.095 0.000 0.871 536 L CB 2.060 44.159 42.059 0.067 0.000 1.232 536 L HN 0.280 nan 8.230 nan 0.000 0.408 537 I N 5.170 125.853 120.570 0.189 0.000 2.321 537 I HA 0.437 4.607 4.170 -0.000 0.000 0.291 537 I C -2.175 174.157 176.117 0.359 0.000 0.998 537 I CA -1.937 59.505 61.300 0.237 0.000 1.227 537 I CB 0.957 39.140 38.000 0.306 0.000 1.368 537 I HN 0.254 nan 8.210 nan 0.000 0.466 538 P HA -0.069 nan 4.420 nan 0.000 0.272 538 P C 0.455 177.807 177.300 0.087 0.000 1.223 538 P CA -0.333 62.888 63.100 0.201 0.000 0.784 538 P CB 0.510 32.258 31.700 0.080 0.000 0.923 539 W N 3.285 124.435 121.300 -0.250 0.000 2.525 539 W HA -0.135 4.525 4.660 -0.000 0.000 0.259 539 W C 0.819 177.044 176.519 -0.489 0.000 1.253 539 W CA 1.851 58.612 57.345 -0.972 0.000 1.262 539 W CB -0.900 27.917 29.460 -1.072 0.000 1.122 539 W HN 0.353 nan 8.180 nan 0.000 0.607 540 T N -0.927 113.409 114.554 -0.363 0.000 2.951 540 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 540 T C 1.815 176.330 174.700 -0.309 0.000 1.073 540 T CA 0.805 62.682 62.100 -0.371 0.000 1.134 540 T CB -0.558 68.229 68.868 -0.134 0.000 0.884 540 T HN 0.168 nan 8.240 nan 0.000 0.479 541 R N -0.869 119.506 120.500 -0.207 0.000 2.363 541 R HA 0.315 4.655 4.340 -0.000 0.000 0.236 541 R C 0.667 176.900 176.300 -0.113 0.000 0.966 541 R CA -0.109 55.908 56.100 -0.137 0.000 1.100 541 R CB -0.141 30.114 30.300 -0.076 0.000 1.125 541 R HN 0.492 nan 8.270 nan 0.000 0.514 542 F N -2.361 117.341 119.950 -0.413 0.000 2.347 542 F HA 0.122 4.649 4.527 -0.000 0.000 0.266 542 F C 1.271 176.897 175.800 -0.290 0.000 0.884 542 F CA 0.058 57.879 58.000 -0.298 0.000 1.123 542 F CB 0.236 38.968 39.000 -0.446 0.000 1.098 542 F HN 0.006 nan 8.300 nan 0.000 0.803 543 C N 1.301 120.223 119.300 -0.629 0.000 3.115 543 C HA 0.473 4.933 4.460 -0.000 0.000 0.277 543 C C 0.056 174.730 174.990 -0.526 0.000 1.460 543 C CA -0.188 58.484 59.018 -0.577 0.000 1.789 543 C CB -1.967 25.305 27.740 -0.780 0.000 2.674 543 C HN 0.293 nan 8.230 nan 0.000 0.582 551 N N 1.770 120.463 118.700 -0.011 0.000 2.483 551 N HA 0.303 5.043 4.740 -0.000 0.000 0.285 551 N C -0.255 175.330 175.510 0.124 0.000 1.210 551 N CA -0.543 52.507 53.050 -0.001 0.000 0.931 551 N CB 0.735 39.175 38.487 -0.078 0.000 1.220 551 N HN 0.058 nan 8.380 nan 0.000 0.542 552 F N 1.672 121.596 119.950 -0.044 0.000 2.647 552 F HA 0.127 4.654 4.527 -0.000 0.000 0.363 552 F C -1.957 173.810 175.800 -0.055 0.000 1.130 552 F CA -1.733 56.241 58.000 -0.042 0.000 1.351 552 F CB -1.607 37.377 39.000 -0.028 0.000 1.026 552 F HN 0.336 nan 8.300 nan 0.000 0.607 553 P HA -0.019 nan 4.420 nan 0.000 0.285 553 P C 0.774 177.952 177.300 -0.203 0.000 1.282 553 P CA -0.022 63.006 63.100 -0.120 0.000 0.778 553 P CB 0.534 32.138 31.700 -0.160 0.000 1.222 554 F N -0.407 119.382 119.950 -0.268 0.000 1.999 554 F HA -0.128 4.399 4.527 -0.000 0.000 0.293 554 F C 2.615 178.290 175.800 -0.209 0.000 1.173 554 F CA 1.289 59.174 58.000 -0.191 0.000 1.162 554 F CB -1.162 37.704 39.000 -0.223 0.000 0.981 554 F HN 0.372 nan 8.300 nan 0.000 0.479 555 W N 1.487 122.530 121.300 -0.428 0.000 2.290 555 W HA -0.310 4.350 4.660 -0.000 0.000 0.323 555 W C 2.096 178.368 176.519 -0.410 0.000 1.260 555 W CA 2.170 59.206 57.345 -0.516 0.000 1.266 555 W CB -0.876 28.268 29.460 -0.527 0.000 1.149 555 W HN 0.176 nan 8.180 nan 0.000 0.482 556 L N -0.511 120.329 121.223 -0.638 0.000 2.129 556 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 556 L C 2.309 178.566 176.870 -1.023 0.000 1.087 556 L CA 2.087 56.436 54.840 -0.818 0.000 0.757 556 L CB -1.039 40.569 42.059 -0.751 0.000 0.896 556 L HN 0.210 nan 8.230 nan 0.000 0.434 557 W N 0.693 121.259 121.300 -1.223 0.000 2.413 557 W HA -0.160 4.500 4.660 -0.000 0.000 0.315 557 W C 2.371 178.518 176.519 -0.619 0.000 1.186 557 W CA 0.955 57.834 57.345 -0.777 0.000 1.326 557 W CB -0.166 28.994 29.460 -0.499 0.000 1.153 557 W HN -0.140 nan 8.180 nan 0.000 0.489 558 I N 1.238 121.292 120.570 -0.859 0.000 2.194 558 I HA -0.289 3.881 4.170 -0.000 0.000 0.246 558 I C 2.465 177.983 176.117 -0.998 0.000 1.093 558 I CA 1.978 62.678 61.300 -1.001 0.000 1.355 558 I CB -1.366 36.178 38.000 -0.760 0.000 1.046 558 I HN 0.184 nan 8.210 nan 0.000 0.413 559 E N 1.385 120.835 120.200 -1.250 0.000 2.013 559 E HA -0.242 4.108 4.350 -0.000 0.000 0.202 559 E C 2.256 178.439 176.600 -0.696 0.000 1.018 559 E CA 2.262 57.996 56.400 -1.109 0.000 0.834 559 E CB -0.243 28.769 29.700 -1.147 0.000 0.770 559 E HN 0.506 nan 8.360 nan 0.000 0.459 560 S N -0.009 115.360 115.700 -0.553 0.000 2.488 560 S HA -0.137 4.333 4.470 -0.000 0.000 0.246 560 S C 2.171 176.506 174.600 -0.442 0.000 0.992 560 S CA 1.062 59.045 58.200 -0.362 0.000 0.963 560 S CB -0.538 62.571 63.200 -0.151 0.000 0.754 560 S HN 0.300 nan 8.310 nan 0.000 0.519 561 I N 0.543 120.717 120.570 -0.660 0.000 2.277 561 I HA -0.044 4.126 4.170 -0.000 0.000 0.243 561 I C 2.314 177.996 176.117 -0.726 0.000 1.094 561 I CA 0.837 61.652 61.300 -0.809 0.000 1.393 561 I CB -0.293 37.019 38.000 -1.148 0.000 1.078 561 I HN 0.279 nan 8.210 nan 0.000 0.417 562 L N 0.382 121.159 121.223 -0.744 0.000 2.127 562 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 562 L C 2.617 179.211 176.870 -0.460 0.000 1.089 562 L CA 1.198 55.607 54.840 -0.718 0.000 0.757 562 L CB -0.545 41.043 42.059 -0.785 0.000 0.899 562 L HN 0.254 nan 8.230 nan 0.000 0.434 563 E N 0.124 120.093 120.200 -0.384 0.000 2.031 563 E HA -0.229 4.120 4.350 -0.000 0.000 0.193 563 E C 2.155 178.647 176.600 -0.181 0.000 0.994 563 E CA 1.305 57.558 56.400 -0.244 0.000 0.800 563 E CB -0.291 29.289 29.700 -0.200 0.000 0.752 563 E HN 0.272 nan 8.360 nan 0.000 0.447 564 L N 1.240 122.350 121.223 -0.188 0.000 1.989 564 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 564 L C 2.401 179.245 176.870 -0.043 0.000 1.071 564 L CA 1.539 56.337 54.840 -0.069 0.000 0.749 564 L CB -0.658 41.340 42.059 -0.101 0.000 0.890 564 L HN 0.135 nan 8.230 nan 0.000 0.431 565 I N -0.598 119.880 120.570 -0.154 0.000 2.118 565 I HA -0.404 3.766 4.170 -0.000 0.000 0.241 565 I C 2.614 178.692 176.117 -0.065 0.000 1.070 565 I CA 1.852 63.098 61.300 -0.090 0.000 1.327 565 I CB -0.543 37.264 38.000 -0.322 0.000 1.034 565 I HN 0.347 nan 8.210 nan 0.000 0.405 566 K N 1.446 121.760 120.400 -0.144 0.000 1.987 566 K HA -0.208 4.112 4.320 -0.000 0.000 0.216 566 K C 1.791 178.335 176.600 -0.094 0.000 1.051 566 K CA 1.780 57.999 56.287 -0.112 0.000 0.942 566 K CB -0.037 32.372 32.500 -0.151 0.000 0.722 566 K HN 0.225 nan 8.250 nan 0.000 0.444 567 K N -0.864 119.456 120.400 -0.133 0.000 2.505 567 K HA -0.016 4.303 4.320 -0.000 0.000 0.192 567 K C 0.476 176.792 176.600 -0.473 0.000 1.025 567 K CA 0.397 56.520 56.287 -0.273 0.000 1.086 567 K CB 0.295 32.605 32.500 -0.315 0.000 0.840 567 K HN 0.351 nan 8.250 nan 0.000 0.514 568 H N -1.461 117.604 119.070 -0.009 0.000 3.780 568 H HA 0.165 4.721 4.556 -0.000 0.000 0.266 568 H C 0.391 175.739 175.328 0.033 0.000 1.144 568 H CA 0.140 56.193 56.048 0.009 0.000 1.176 568 H CB 0.772 30.526 29.762 -0.014 0.000 1.690 568 H HN -0.014 nan 8.280 nan 0.000 0.835 569 L N 0.618 121.933 121.223 0.152 0.000 3.606 569 L HA 0.178 4.518 4.340 -0.000 0.000 0.336 569 L C 1.511 178.499 176.870 0.196 0.000 1.300 569 L CA 0.151 55.090 54.840 0.166 0.000 1.050 569 L CB 0.763 42.940 42.059 0.197 0.000 1.439 569 L HN -0.051 nan 8.230 nan 0.000 0.621 570 L N 1.890 123.204 121.223 0.153 0.000 1.963 570 L HA -0.155 4.184 4.340 -0.000 0.000 0.220 570 L C -0.024 176.970 176.870 0.207 0.000 1.076 570 L CA 2.295 57.251 54.840 0.193 0.000 0.772 570 L CB -1.002 41.131 42.059 0.123 0.000 0.892 570 L HN 0.246 nan 8.230 nan 0.000 0.435 571 P HA -0.200 nan 4.420 nan 0.000 0.214 571 P C 1.796 179.089 177.300 -0.013 0.000 1.163 571 P CA 1.576 64.744 63.100 0.113 0.000 0.883 571 P CB -0.037 31.758 31.700 0.159 0.000 0.788 572 L N -1.217 119.882 121.223 -0.207 0.000 2.013 572 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 572 L C 2.814 179.737 176.870 0.088 0.000 1.073 572 L CA 1.841 56.573 54.840 -0.179 0.000 0.753 572 L CB -2.030 40.012 42.059 -0.029 0.000 0.890 572 L HN 0.136 nan 8.230 nan 0.000 0.432 573 W N 0.772 122.110 121.300 0.062 0.000 2.379 573 W HA -0.186 4.474 4.660 -0.000 0.000 0.307 573 W C 2.228 178.826 176.519 0.132 0.000 1.200 573 W CA 1.489 58.915 57.345 0.135 0.000 1.297 573 W CB -0.276 29.304 29.460 0.200 0.000 1.140 573 W HN 0.284 nan 8.180 nan 0.000 0.507 574 N N 0.835 119.603 118.700 0.113 0.000 2.104 574 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 574 N C 0.883 176.368 175.510 -0.041 0.000 1.024 574 N CA 1.805 54.879 53.050 0.040 0.000 0.853 574 N CB -0.902 37.680 38.487 0.158 0.000 1.008 574 N HN 0.171 nan 8.380 nan 0.000 0.424 575 D N 0.248 120.660 120.400 0.020 0.000 2.371 575 D HA 0.054 4.694 4.640 -0.000 0.000 0.234 575 D C 1.023 177.298 176.300 -0.042 0.000 1.049 575 D CA 0.315 54.336 54.000 0.035 0.000 0.907 575 D CB -0.350 40.549 40.800 0.165 0.000 0.891 575 D HN 0.348 nan 8.370 nan 0.000 0.531 576 G N 0.605 109.307 108.800 -0.162 0.000 2.203 576 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.263 576 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.263 576 G C 1.045 175.876 174.900 -0.115 0.000 1.012 576 G CA 0.325 45.296 45.100 -0.215 0.000 0.749 576 G HN 0.465 nan 8.290 nan 0.000 0.512 577 C N 0.340 119.613 119.300 -0.045 0.000 2.524 577 C HA 0.526 4.986 4.460 -0.000 0.000 0.301 577 C C 1.023 176.082 174.990 0.116 0.000 1.296 577 C CA -0.153 58.874 59.018 0.016 0.000 1.683 577 C CB -1.464 26.282 27.740 0.009 0.000 1.764 577 C HN 0.455 nan 8.230 nan 0.000 0.597 578 I N 0.196 120.790 120.570 0.041 0.000 2.478 578 I HA 0.180 4.350 4.170 -0.000 0.000 0.287 578 I C 0.711 176.834 176.117 0.011 0.000 1.042 578 I CA -0.220 61.126 61.300 0.077 0.000 1.067 578 I CB 1.720 39.827 38.000 0.178 0.000 1.233 578 I HN 0.087 nan 8.210 nan 0.000 0.431 579 M N 3.842 123.456 119.600 0.024 0.000 2.236 579 M HA 0.064 4.544 4.480 -0.000 0.000 0.266 579 M C 1.731 178.083 176.300 0.087 0.000 1.070 579 M CA 2.192 57.508 55.300 0.026 0.000 1.137 579 M CB -0.000 32.596 32.600 -0.007 0.000 1.378 579 M HN 0.953 nan 8.290 nan 0.000 0.426 580 G N 0.222 108.986 108.800 -0.061 0.000 3.718 580 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.224 580 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.224 580 G C 0.160 174.821 174.900 -0.398 0.000 1.328 580 G CA 0.785 45.734 45.100 -0.250 0.000 0.974 580 G HN 0.474 nan 8.290 nan 0.000 0.579 581 F N 1.322 121.437 119.950 0.274 0.000 2.434 581 F HA 0.748 5.275 4.527 -0.000 0.000 0.367 581 F C -0.030 175.865 175.800 0.158 0.000 1.093 581 F CA -0.826 57.323 58.000 0.249 0.000 1.085 581 F CB 1.274 40.431 39.000 0.263 0.000 1.322 581 F HN 0.122 nan 8.300 nan 0.000 0.452 582 I N 0.723 121.426 120.570 0.221 0.000 2.865 582 I HA 0.459 4.629 4.170 -0.000 0.000 0.302 582 I C -0.122 176.070 176.117 0.124 0.000 1.140 582 I CA -0.908 60.472 61.300 0.134 0.000 1.021 582 I CB 2.304 40.332 38.000 0.046 0.000 1.233 582 I HN 0.370 nan 8.210 nan 0.000 0.427 583 S N 2.935 118.685 115.700 0.084 0.000 2.601 583 S HA 0.375 4.845 4.470 -0.000 0.000 0.271 583 S C 0.713 175.318 174.600 0.008 0.000 1.305 583 S CA -0.749 57.483 58.200 0.054 0.000 1.022 583 S CB 1.160 64.379 63.200 0.032 0.000 0.940 583 S HN 0.627 nan 8.310 nan 0.000 0.525 584 K N 0.884 121.280 120.400 -0.007 0.000 2.281 584 K HA -0.189 4.131 4.320 -0.000 0.000 0.203 584 K C 1.864 178.410 176.600 -0.090 0.000 1.046 584 K CA 1.597 57.854 56.287 -0.050 0.000 0.938 584 K CB -0.194 32.276 32.500 -0.049 0.000 0.737 584 K HN 0.840 nan 8.250 nan 0.000 0.458 585 E N 1.496 121.659 120.200 -0.062 0.000 2.015 585 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 585 E C 2.090 178.646 176.600 -0.074 0.000 0.991 585 E CA 1.051 57.410 56.400 -0.069 0.000 0.802 585 E CB 0.079 29.756 29.700 -0.039 0.000 0.759 585 E HN -0.019 nan 8.360 nan 0.000 0.447 586 R N 0.561 121.035 120.500 -0.044 0.000 2.235 586 R HA -0.062 4.278 4.340 -0.000 0.000 0.213 586 R C 2.035 178.299 176.300 -0.061 0.000 1.059 586 R CA 0.955 57.033 56.100 -0.036 0.000 0.997 586 R CB -0.193 30.102 30.300 -0.008 0.000 0.884 586 R HN 0.432 nan 8.270 nan 0.000 0.462 587 E N 0.519 120.671 120.200 -0.080 0.000 2.021 587 E HA -0.220 4.130 4.350 -0.000 0.000 0.200 587 E C 1.802 178.305 176.600 -0.161 0.000 1.015 587 E CA 1.425 57.766 56.400 -0.098 0.000 0.824 587 E CB 0.119 29.757 29.700 -0.104 0.000 0.762 587 E HN 0.153 nan 8.360 nan 0.000 0.454 588 R N 0.344 120.642 120.500 -0.336 0.000 2.115 588 R HA -0.054 4.286 4.340 -0.000 0.000 0.230 588 R C 2.288 178.489 176.300 -0.164 0.000 1.111 588 R CA 0.976 56.737 56.100 -0.566 0.000 0.976 588 R CB -1.192 28.523 30.300 -0.975 0.000 0.870 588 R HN 0.242 nan 8.270 nan 0.000 0.445 589 A N 2.115 124.874 122.820 -0.102 0.000 1.894 589 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 589 A C 2.219 179.836 177.584 0.055 0.000 1.237 589 A CA 2.086 54.116 52.037 -0.011 0.000 0.660 589 A CB -0.648 18.344 19.000 -0.013 0.000 0.835 589 A HN 0.197 nan 8.150 nan 0.000 0.461 590 L N -0.979 120.282 121.223 0.062 0.000 2.131 590 L HA 0.046 4.386 4.340 -0.000 0.000 0.206 590 L C 2.339 179.369 176.870 0.267 0.000 1.087 590 L CA 1.019 55.962 54.840 0.171 0.000 0.767 590 L CB -0.585 41.532 42.059 0.097 0.000 0.917 590 L HN 0.345 nan 8.230 nan 0.000 0.441 591 L N -0.587 120.773 121.223 0.229 0.000 2.376 591 L HA -0.078 4.262 4.340 -0.000 0.000 0.219 591 L C 1.409 178.543 176.870 0.441 0.000 1.133 591 L CA 0.297 55.350 54.840 0.355 0.000 0.816 591 L CB -0.299 41.990 42.059 0.383 0.000 0.933 591 L HN 0.207 nan 8.230 nan 0.000 0.449 592 K N 0.959 121.591 120.400 0.387 0.000 2.319 592 K HA -0.043 4.277 4.320 -0.000 0.000 0.265 592 K C -0.464 176.256 176.600 0.199 0.000 1.000 592 K CA -0.355 56.158 56.287 0.377 0.000 0.943 592 K CB 0.475 33.156 32.500 0.301 0.000 0.950 592 K HN -0.016 nan 8.250 nan 0.000 0.485 593 D N 2.269 122.744 120.400 0.126 0.000 3.478 593 D HA -0.205 4.435 4.640 -0.000 0.000 0.219 593 D C -0.773 175.568 176.300 0.068 0.000 1.143 593 D CA 1.168 55.212 54.000 0.072 0.000 1.047 593 D CB -0.317 40.519 40.800 0.060 0.000 0.820 593 D HN 0.507 nan 8.370 nan 0.000 0.393 594 Q N 0.362 120.195 119.800 0.055 0.000 2.702 594 Q HA 0.293 4.632 4.340 -0.000 0.000 0.289 594 Q C -1.317 174.684 176.000 0.002 0.000 0.923 594 Q CA -0.695 55.123 55.803 0.026 0.000 0.787 594 Q CB 0.914 29.703 28.738 0.085 0.000 1.476 594 Q HN 0.208 nan 8.270 nan 0.000 0.402 595 Q N 2.987 122.739 119.800 -0.079 0.000 2.320 595 Q HA 0.052 4.391 4.340 -0.000 0.000 0.311 595 Q C -1.854 174.165 176.000 0.033 0.000 1.083 595 Q CA 0.071 55.793 55.803 -0.134 0.000 1.001 595 Q CB 0.633 29.105 28.738 -0.442 0.000 1.074 595 Q HN 0.410 nan 8.270 nan 0.000 0.379 596 P HA -0.277 nan 4.420 nan 0.000 0.219 596 P C 0.869 178.355 177.300 0.310 0.000 1.161 596 P CA 2.244 65.451 63.100 0.179 0.000 0.909 596 P CB -0.055 31.736 31.700 0.151 0.000 0.793 597 G N -1.701 107.346 108.800 0.412 0.000 2.446 597 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 597 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 597 G C 0.540 175.760 174.900 0.532 0.000 1.168 597 G CA 1.010 46.399 45.100 0.482 0.000 0.771 597 G HN 0.369 nan 8.290 nan 0.000 0.551 598 T N 1.585 116.465 114.554 0.543 0.000 2.510 598 T HA 0.062 4.412 4.350 -0.000 0.000 0.218 598 T C -0.134 174.849 174.700 0.471 0.000 1.031 598 T CA 0.644 62.964 62.100 0.368 0.000 1.169 598 T CB -0.704 68.279 68.868 0.191 0.000 1.007 598 T HN 0.416 nan 8.240 nan 0.000 0.462 599 F N 4.076 124.238 119.950 0.353 0.000 2.631 599 F HA 0.887 5.414 4.527 -0.000 0.000 0.328 599 F C -1.229 174.791 175.800 0.367 0.000 1.067 599 F CA -1.836 56.400 58.000 0.395 0.000 0.969 599 F CB 1.022 40.189 39.000 0.279 0.000 1.332 599 F HN 0.387 nan 8.300 nan 0.000 0.490 600 L N 2.183 123.779 121.223 0.622 0.000 2.401 600 L HA 0.585 4.925 4.340 -0.000 0.000 0.266 600 L C -1.477 175.670 176.870 0.463 0.000 0.991 600 L CA -1.229 53.860 54.840 0.416 0.000 0.818 600 L CB 2.168 44.392 42.059 0.275 0.000 1.321 600 L HN 0.727 nan 8.230 nan 0.000 0.413 601 L N 5.284 126.713 121.223 0.345 0.000 2.265 601 L HA 0.634 4.973 4.340 -0.000 0.000 0.289 601 L C -0.183 176.714 176.870 0.045 0.000 1.033 601 L CA -0.586 54.425 54.840 0.286 0.000 0.814 601 L CB 1.137 43.394 42.059 0.331 0.000 1.203 601 L HN 0.724 nan 8.230 nan 0.000 0.423 602 R N 2.032 122.510 120.500 -0.037 0.000 2.836 602 R HA 0.642 4.982 4.340 -0.000 0.000 0.269 602 R C -1.561 174.541 176.300 -0.329 0.000 1.010 602 R CA -0.829 55.149 56.100 -0.202 0.000 0.930 602 R CB 1.397 31.677 30.300 -0.034 0.000 1.218 602 R HN 0.061 nan 8.270 nan 0.000 0.473 603 F N 0.694 120.541 119.950 -0.172 0.000 2.385 603 F HA 0.351 4.878 4.527 -0.000 0.000 0.336 603 F C 1.093 176.870 175.800 -0.039 0.000 1.100 603 F CA -0.304 57.578 58.000 -0.198 0.000 1.116 603 F CB 1.918 40.651 39.000 -0.445 0.000 1.166 603 F HN 0.634 nan 8.300 nan 0.000 0.511 604 S N 1.646 117.473 115.700 0.212 0.000 2.576 604 S HA 0.109 4.579 4.470 -0.000 0.000 0.276 604 S C 0.765 175.618 174.600 0.421 0.000 1.339 604 S CA -0.367 57.959 58.200 0.210 0.000 1.039 604 S CB 0.565 63.838 63.200 0.121 0.000 0.902 604 S HN 0.730 nan 8.310 nan 0.000 0.516 605 E N 2.446 122.844 120.200 0.331 0.000 2.364 605 E HA 0.025 4.375 4.350 -0.000 0.000 0.196 605 E C 1.820 178.485 176.600 0.108 0.000 0.990 605 E CA 0.355 56.929 56.400 0.291 0.000 0.886 605 E CB 0.088 29.813 29.700 0.042 0.000 0.866 605 E HN 0.652 nan 8.360 nan 0.000 0.493 606 S N 1.181 116.938 115.700 0.095 0.000 2.335 606 S HA -0.085 4.385 4.470 -0.000 0.000 0.217 606 S C 1.273 175.875 174.600 0.003 0.000 1.032 606 S CA 0.246 58.454 58.200 0.013 0.000 0.985 606 S CB -0.139 63.055 63.200 -0.011 0.000 0.896 606 S HN 0.147 nan 8.310 nan 0.000 0.445 607 S N 1.524 117.244 115.700 0.033 0.000 2.558 607 S HA 0.017 4.486 4.470 -0.000 0.000 0.293 607 S C 0.477 175.011 174.600 -0.109 0.000 1.292 607 S CA -0.067 58.111 58.200 -0.038 0.000 1.063 607 S CB 0.153 63.347 63.200 -0.011 0.000 0.831 607 S HN 0.299 nan 8.310 nan 0.000 0.499 608 R N 3.215 123.485 120.500 -0.384 0.000 2.831 608 R HA 0.234 4.574 4.340 -0.000 0.000 0.337 608 R C 0.406 176.449 176.300 -0.428 0.000 1.200 608 R CA -0.034 55.461 56.100 -1.009 0.000 1.088 608 R CB 0.143 29.688 30.300 -1.258 0.000 1.397 608 R HN 0.737 nan 8.270 nan 0.000 0.581 609 E N -0.391 119.733 120.200 -0.127 0.000 2.617 609 E HA 0.132 4.481 4.350 -0.000 0.000 0.208 609 E C -0.001 176.585 176.600 -0.023 0.000 0.888 609 E CA 0.107 56.480 56.400 -0.045 0.000 1.485 609 E CB 1.538 31.198 29.700 -0.068 0.000 1.482 609 E HN 0.345 nan 8.360 nan 0.000 0.813 610 G N 1.658 110.447 108.800 -0.018 0.000 3.409 610 G HA2 0.203 4.163 3.960 -0.000 0.000 0.686 610 G HA3 0.203 4.163 3.960 -0.000 0.000 0.686 610 G C -0.606 174.258 174.900 -0.059 0.000 1.017 610 G CA -0.299 44.749 45.100 -0.086 0.000 0.854 610 G HN 0.438 nan 8.290 nan 0.000 0.508 611 A N 3.083 125.895 122.820 -0.014 0.000 2.612 611 A HA 0.956 5.276 4.320 -0.000 0.000 0.293 611 A C -0.152 177.463 177.584 0.053 0.000 1.075 611 A CA -0.261 51.772 52.037 -0.007 0.000 0.680 611 A CB 1.404 20.388 19.000 -0.028 0.000 1.279 611 A HN 2.254 nan 8.150 nan 0.000 0.411 612 I N -1.567 118.964 120.570 -0.065 0.000 2.863 612 I HA 0.944 5.114 4.170 -0.000 0.000 0.311 612 I C -0.171 175.892 176.117 -0.091 0.000 1.026 612 I CA -0.703 60.501 61.300 -0.160 0.000 1.077 612 I CB 1.118 38.811 38.000 -0.511 0.000 1.262 612 I HN 0.810 nan 8.210 nan 0.000 0.461 613 T N 2.308 116.847 114.554 -0.025 0.000 2.792 613 T HA 0.765 5.115 4.350 -0.000 0.000 0.303 613 T C -1.498 173.299 174.700 0.161 0.000 1.310 613 T CA -0.415 61.684 62.100 -0.003 0.000 1.007 613 T CB 1.400 70.220 68.868 -0.080 0.000 1.335 613 T HN 0.624 nan 8.240 nan 0.000 0.504 614 F N -0.328 119.782 119.950 0.267 0.000 2.611 614 F HA 0.923 5.450 4.527 -0.000 0.000 0.324 614 F C -0.378 175.646 175.800 0.373 0.000 1.061 614 F CA -0.916 57.268 58.000 0.306 0.000 0.954 614 F CB 1.446 40.586 39.000 0.233 0.000 1.301 614 F HN 0.493 nan 8.300 nan 0.000 0.482 615 T N 0.692 115.681 114.554 0.724 0.000 2.916 615 T HA 0.584 4.934 4.350 -0.000 0.000 0.305 615 T C -1.778 173.382 174.700 0.766 0.000 1.119 615 T CA -0.613 61.821 62.100 0.556 0.000 1.008 615 T CB 1.780 70.807 68.868 0.266 0.000 1.129 615 T HN 0.922 nan 8.240 nan 0.000 0.480 616 W N 0.417 121.987 121.300 0.451 0.000 2.988 616 W HA 0.804 5.464 4.660 -0.000 0.000 0.355 616 W C -2.259 174.511 176.519 0.417 0.000 1.233 616 W CA -1.106 56.506 57.345 0.444 0.000 1.176 616 W CB 0.319 30.037 29.460 0.430 0.000 1.477 616 W HN 0.528 nan 8.180 nan 0.000 0.582 617 V N 1.196 121.423 119.914 0.522 0.000 2.919 617 V HA 0.670 4.790 4.120 -0.000 0.000 0.316 617 V C -0.454 175.850 176.094 0.351 0.000 1.077 617 V CA -1.030 61.416 62.300 0.243 0.000 0.977 617 V CB 1.544 33.468 31.823 0.169 0.000 1.039 617 V HN 0.685 nan 8.190 nan 0.000 0.441 618 E N 1.221 121.519 120.200 0.163 0.000 2.433 618 E HA 0.596 4.945 4.350 -0.000 0.000 0.278 618 E C -1.481 175.161 176.600 0.070 0.000 0.976 618 E CA -1.161 55.369 56.400 0.218 0.000 0.793 618 E CB 2.483 32.387 29.700 0.340 0.000 1.311 618 E HN 0.386 nan 8.360 nan 0.000 0.460 619 R N 0.653 121.203 120.500 0.083 0.000 2.514 619 R HA 0.435 4.775 4.340 -0.000 0.000 0.301 619 R C -0.628 175.700 176.300 0.047 0.000 0.962 619 R CA -0.666 55.455 56.100 0.036 0.000 0.882 619 R CB 1.609 31.932 30.300 0.039 0.000 1.143 619 R HN 0.414 nan 8.270 nan 0.000 0.452 620 S N 2.982 118.696 115.700 0.023 0.000 2.300 620 S HA 0.144 4.614 4.470 -0.000 0.000 0.172 620 S C -0.843 173.768 174.600 0.019 0.000 1.484 620 S CA -0.507 57.713 58.200 0.032 0.000 1.265 620 S CB -0.174 63.050 63.200 0.039 0.000 1.313 620 S HN 0.592 nan 8.310 nan 0.000 0.387 626 P HA 0.010 nan 4.420 nan 0.000 0.269 626 P C -0.687 176.231 177.300 -0.636 0.000 1.185 626 P CA 0.577 63.438 63.100 -0.399 0.000 0.769 626 P CB 0.386 31.797 31.700 -0.481 0.000 0.809 627 D N 1.097 121.151 120.400 -0.577 0.000 2.168 627 D HA 0.313 4.953 4.640 -0.000 0.000 0.246 627 D C -1.136 174.697 176.300 -0.779 0.000 1.050 627 D CA -0.275 53.401 54.000 -0.541 0.000 0.857 627 D CB 0.573 41.224 40.800 -0.248 0.000 1.169 627 D HN 0.044 nan 8.370 nan 0.000 0.453 628 F N 2.756 122.457 119.950 -0.415 0.000 2.467 628 F HA 0.339 4.866 4.527 -0.000 0.000 0.336 628 F C 0.631 175.991 175.800 -0.733 0.000 1.123 628 F CA -0.636 57.099 58.000 -0.442 0.000 0.964 628 F CB 1.443 40.306 39.000 -0.229 0.000 1.136 628 F HN 0.216 nan 8.300 nan 0.000 0.447 629 H N 1.520 120.334 119.070 -0.426 0.000 2.679 629 H HA 0.876 5.431 4.556 -0.000 0.000 0.367 629 H C -1.010 173.912 175.328 -0.677 0.000 1.162 629 H CA -1.167 54.434 56.048 -0.746 0.000 1.181 629 H CB 2.202 31.097 29.762 -1.445 0.000 1.693 629 H HN 0.700 nan 8.280 nan 0.000 0.538 630 A N 1.815 124.507 122.820 -0.213 0.000 2.517 630 A HA 0.470 4.789 4.320 -0.000 0.000 0.297 630 A C -0.518 177.083 177.584 0.029 0.000 1.050 630 A CA -0.719 51.313 52.037 -0.009 0.000 0.694 630 A CB 0.930 19.928 19.000 -0.003 0.000 1.277 630 A HN 0.414 nan 8.150 nan 0.000 0.400 631 V N -0.156 119.732 119.914 -0.043 0.000 2.834 631 V HA 0.466 4.586 4.120 -0.000 0.000 0.301 631 V C 0.681 176.628 176.094 -0.246 0.000 1.066 631 V CA -0.826 61.356 62.300 -0.197 0.000 1.052 631 V CB 0.987 32.422 31.823 -0.647 0.000 1.021 631 V HN 0.854 nan 8.190 nan 0.000 0.480 632 E N 3.489 123.550 120.200 -0.233 0.000 2.406 632 E HA 0.166 4.516 4.350 -0.000 0.000 0.258 632 E C -2.297 174.079 176.600 -0.374 0.000 1.043 632 E CA -1.436 54.824 56.400 -0.234 0.000 0.929 632 E CB 0.627 30.207 29.700 -0.200 0.000 0.969 632 E HN 0.599 nan 8.360 nan 0.000 0.462 633 P HA -0.150 nan 4.420 nan 0.000 0.265 633 P C -0.962 176.185 177.300 -0.256 0.000 1.167 633 P CA 0.929 63.911 63.100 -0.197 0.000 0.760 633 P CB 0.094 31.738 31.700 -0.093 0.000 0.783 634 Y N 0.813 121.028 120.300 -0.141 0.000 2.326 634 Y HA 0.394 4.944 4.550 -0.000 0.000 0.337 634 Y C 1.359 177.163 175.900 -0.160 0.000 1.023 634 Y CA 0.164 58.188 58.100 -0.126 0.000 1.143 634 Y CB 1.282 39.687 38.460 -0.093 0.000 1.183 634 Y HN 0.237 nan 8.280 nan 0.000 0.485 635 T N 1.368 115.929 114.554 0.011 0.000 2.922 635 T HA 0.252 4.602 4.350 -0.000 0.000 0.281 635 T C 1.002 175.632 174.700 -0.116 0.000 1.005 635 T CA -0.884 61.181 62.100 -0.058 0.000 0.982 635 T CB 0.848 69.683 68.868 -0.055 0.000 1.158 635 T HN 0.644 nan 8.240 nan 0.000 0.566 636 K N 1.270 121.580 120.400 -0.150 0.000 2.209 636 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 636 K C 1.897 178.414 176.600 -0.138 0.000 1.048 636 K CA 1.038 57.165 56.287 -0.266 0.000 0.940 636 K CB -0.211 32.270 32.500 -0.031 0.000 0.729 636 K HN 0.321 nan 8.250 nan 0.000 0.451 637 K N 1.209 121.575 120.400 -0.058 0.000 2.074 637 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 637 K C 1.321 177.915 176.600 -0.010 0.000 1.048 637 K CA 1.984 58.260 56.287 -0.019 0.000 0.926 637 K CB 0.043 32.534 32.500 -0.015 0.000 0.713 637 K HN 0.306 nan 8.250 nan 0.000 0.444 638 E N 0.232 120.429 120.200 -0.005 0.000 2.024 638 E HA -0.032 4.318 4.350 -0.000 0.000 0.190 638 E C 1.858 178.450 176.600 -0.015 0.000 0.974 638 E CA 0.473 56.903 56.400 0.049 0.000 0.810 638 E CB -0.334 29.488 29.700 0.203 0.000 0.775 638 E HN 0.052 nan 8.360 nan 0.000 0.453 639 L N 1.479 122.626 121.223 -0.127 0.000 2.357 639 L HA -0.192 4.148 4.340 -0.000 0.000 0.220 639 L C 2.067 178.844 176.870 -0.156 0.000 1.123 639 L CA 1.796 56.493 54.840 -0.238 0.000 0.782 639 L CB -1.020 40.699 42.059 -0.567 0.000 0.910 639 L HN 0.170 nan 8.230 nan 0.000 0.442 640 S N -2.236 113.419 115.700 -0.076 0.000 2.470 640 S HA 0.109 4.579 4.470 -0.000 0.000 0.225 640 S C 1.949 176.604 174.600 0.091 0.000 1.006 640 S CA 0.421 58.705 58.200 0.141 0.000 0.934 640 S CB -0.075 63.206 63.200 0.135 0.000 0.778 640 S HN 0.305 nan 8.310 nan 0.000 0.517 641 A N 0.988 123.838 122.820 0.050 0.000 1.901 641 A HA 0.597 4.917 4.320 -0.000 0.000 0.210 641 A C 0.701 178.313 177.584 0.047 0.000 1.208 641 A CA 0.479 52.545 52.037 0.048 0.000 0.644 641 A CB 0.085 19.110 19.000 0.042 0.000 0.863 641 A HN 0.402 nan 8.150 nan 0.000 0.454 642 V N 0.601 120.540 119.914 0.042 0.000 2.638 642 V HA 0.330 4.450 4.120 -0.000 0.000 0.306 642 V C -0.113 176.004 176.094 0.038 0.000 1.052 642 V CA -0.731 61.590 62.300 0.035 0.000 0.885 642 V CB 1.523 33.358 31.823 0.020 0.000 0.999 642 V HN 0.305 nan 8.190 nan 0.000 0.424 643 T N 3.976 118.567 114.554 0.061 0.000 2.939 643 T HA 0.017 4.367 4.350 -0.000 0.000 0.319 643 T C 0.791 175.537 174.700 0.077 0.000 1.082 643 T CA 0.503 62.662 62.100 0.097 0.000 1.133 643 T CB 0.110 69.048 68.868 0.117 0.000 1.019 643 T HN 0.567 nan 8.240 nan 0.000 0.548 644 F N 5.306 125.206 119.950 -0.084 0.000 2.075 644 F HA 0.062 4.589 4.527 -0.000 0.000 0.297 644 F C -0.922 174.775 175.800 -0.172 0.000 1.113 644 F CA 0.703 58.593 58.000 -0.184 0.000 1.218 644 F CB -1.495 37.417 39.000 -0.147 0.000 0.984 644 F HN 0.499 nan 8.300 nan 0.000 0.472 645 P HA -0.169 nan 4.420 nan 0.000 0.216 645 P C 1.370 178.670 177.300 -0.001 0.000 1.153 645 P CA 2.147 65.196 63.100 -0.085 0.000 0.858 645 P CB -0.061 31.774 31.700 0.225 0.000 0.789 646 D N -0.937 119.477 120.400 0.022 0.000 2.117 646 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 646 D C 2.017 178.214 176.300 -0.172 0.000 0.987 646 D CA 1.049 55.013 54.000 -0.060 0.000 0.829 646 D CB -0.545 40.240 40.800 -0.025 0.000 0.961 646 D HN 0.198 nan 8.370 nan 0.000 0.460 647 I N 0.899 121.336 120.570 -0.221 0.000 2.179 647 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 647 I C 2.452 178.344 176.117 -0.375 0.000 1.088 647 I CA 0.750 61.888 61.300 -0.270 0.000 1.357 647 I CB -0.188 37.571 38.000 -0.403 0.000 1.051 647 I HN -0.046 nan 8.210 nan 0.000 0.409 648 I N 0.319 120.509 120.570 -0.633 0.000 2.335 648 I HA -0.315 3.855 4.170 -0.000 0.000 0.251 648 I C 2.772 178.590 176.117 -0.498 0.000 1.129 648 I CA 1.241 62.053 61.300 -0.814 0.000 1.402 648 I CB -0.427 36.916 38.000 -1.095 0.000 1.069 648 I HN 0.248 nan 8.210 nan 0.000 0.424 649 R N 1.280 121.591 120.500 -0.315 0.000 2.055 649 R HA -0.098 4.242 4.340 -0.000 0.000 0.228 649 R C 1.645 177.786 176.300 -0.264 0.000 1.143 649 R CA 1.624 57.540 56.100 -0.306 0.000 0.945 649 R CB -0.018 29.933 30.300 -0.582 0.000 0.841 649 R HN 0.336 nan 8.270 nan 0.000 0.429 650 N N -0.098 118.473 118.700 -0.216 0.000 2.398 650 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 650 N C -0.177 175.281 175.510 -0.087 0.000 1.122 650 N CA 0.042 53.002 53.050 -0.150 0.000 0.866 650 N CB -0.136 38.277 38.487 -0.123 0.000 0.970 650 N HN 0.174 nan 8.380 nan 0.000 0.462 651 Y N 2.576 122.739 120.300 -0.227 0.000 2.861 651 Y HA -0.105 4.445 4.550 -0.000 0.000 0.344 651 Y C 0.164 175.962 175.900 -0.170 0.000 1.272 651 Y CA 0.312 58.313 58.100 -0.165 0.000 1.502 651 Y CB 0.350 38.668 38.460 -0.236 0.000 1.333 651 Y HN -0.117 nan 8.280 nan 0.000 0.634 652 K N 4.318 124.259 120.400 -0.764 0.000 2.557 652 K HA 0.574 4.894 4.320 -0.000 0.000 0.257 652 K C -1.687 174.497 176.600 -0.692 0.000 0.933 652 K CA -0.843 55.094 56.287 -0.583 0.000 0.820 652 K CB 2.061 34.383 32.500 -0.296 0.000 1.330 652 K HN 0.473 nan 8.250 nan 0.000 0.432 653 V N -1.404 118.223 119.914 -0.479 0.000 3.160 653 V HA 0.599 4.719 4.120 -0.000 0.000 0.310 653 V C -0.596 175.408 176.094 -0.150 0.000 1.181 653 V CA -1.334 60.790 62.300 -0.293 0.000 1.047 653 V CB 1.901 33.612 31.823 -0.187 0.000 1.068 653 V HN 0.759 nan 8.190 nan 0.000 0.441 654 M N 2.856 122.406 119.600 -0.083 0.000 2.194 654 M HA 0.679 5.159 4.480 -0.000 0.000 0.347 654 M C 0.261 176.546 176.300 -0.026 0.000 1.439 654 M CA 0.349 55.620 55.300 -0.048 0.000 1.131 654 M CB 0.138 32.723 32.600 -0.026 0.000 1.733 654 M HN 1.185 nan 8.290 nan 0.000 0.467 655 A N 3.964 126.771 122.820 -0.022 0.000 2.287 655 A HA 0.669 4.989 4.320 -0.000 0.000 0.273 655 A C 1.193 178.787 177.584 0.016 0.000 1.091 655 A CA -0.032 52.008 52.037 0.004 0.000 0.817 655 A CB 0.054 19.055 19.000 0.001 0.000 1.069 655 A HN 1.071 nan 8.150 nan 0.000 0.492 656 A N 0.051 122.892 122.820 0.035 0.000 2.084 656 A HA -0.115 4.205 4.320 -0.000 0.000 0.221 656 A C 1.218 178.815 177.584 0.022 0.000 1.161 656 A CA 2.134 54.192 52.037 0.035 0.000 0.653 656 A CB -0.513 18.515 19.000 0.047 0.000 0.802 656 A HN 0.799 nan 8.150 nan 0.000 0.457 657 E N 0.444 120.654 120.200 0.016 0.000 2.437 657 E HA 0.073 4.423 4.350 -0.000 0.000 0.189 657 E C -0.032 176.568 176.600 0.001 0.000 1.054 657 E CA -0.071 56.334 56.400 0.009 0.000 0.874 657 E CB -0.241 29.463 29.700 0.007 0.000 1.011 657 E HN 0.502 nan 8.360 nan 0.000 0.474 658 N N 0.748 119.448 118.700 0.000 0.000 2.725 658 N HA -0.232 4.508 4.740 -0.000 0.000 0.251 658 N C -0.777 174.725 175.510 -0.014 0.000 1.031 658 N CA 0.813 53.859 53.050 -0.006 0.000 0.720 658 N CB -1.077 37.408 38.487 -0.003 0.000 0.930 658 N HN 0.371 nan 8.380 nan 0.000 0.543 659 I N 0.134 120.692 120.570 -0.020 0.000 2.548 659 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 659 I C -2.310 173.781 176.117 -0.044 0.000 1.103 659 I CA -1.902 59.381 61.300 -0.028 0.000 1.049 659 I CB 2.462 40.449 38.000 -0.022 0.000 1.232 659 I HN -0.196 nan 8.210 nan 0.000 0.429 660 P HA 0.101 nan 4.420 nan 0.000 0.265 660 P C -1.455 175.788 177.300 -0.095 0.000 1.193 660 P CA 0.491 63.539 63.100 -0.086 0.000 0.765 660 P CB 0.519 32.166 31.700 -0.088 0.000 0.823 661 E N 1.495 121.618 120.200 -0.128 0.000 2.393 661 E HA 0.173 4.523 4.350 -0.000 0.000 0.282 661 E C -1.427 175.057 176.600 -0.193 0.000 1.096 661 E CA -1.006 55.314 56.400 -0.133 0.000 0.866 661 E CB 0.406 30.052 29.700 -0.090 0.000 1.232 661 E HN 0.408 nan 8.360 nan 0.000 0.431 662 N N 2.526 121.097 118.700 -0.215 0.000 2.419 662 N HA 0.231 4.971 4.740 -0.000 0.000 0.277 662 N C -1.673 173.664 175.510 -0.288 0.000 1.006 662 N CA -1.817 51.059 53.050 -0.291 0.000 0.923 662 N CB 1.611 39.930 38.487 -0.280 0.000 1.140 662 N HN 0.362 nan 8.380 nan 0.000 0.488 663 P HA -0.041 nan 4.420 nan 0.000 0.228 663 P C 0.291 177.346 177.300 -0.409 0.000 1.151 663 P CA 0.485 63.346 63.100 -0.398 0.000 0.770 663 P CB 0.406 31.709 31.700 -0.663 0.000 0.786 664 L N 0.546 121.445 121.223 -0.539 0.000 2.515 664 L HA 0.080 4.420 4.340 -0.000 0.000 0.281 664 L C 1.651 178.476 176.870 -0.074 0.000 1.131 664 L CA 0.151 54.705 54.840 -0.478 0.000 0.905 664 L CB 0.029 41.423 42.059 -1.107 0.000 1.246 664 L HN -0.084 nan 8.230 nan 0.000 0.463 665 K N 2.545 123.040 120.400 0.159 0.000 2.312 665 K HA 0.199 4.519 4.320 -0.000 0.000 0.206 665 K C -0.306 176.106 176.600 -0.312 0.000 1.121 665 K CA 0.671 56.874 56.287 -0.140 0.000 0.923 665 K CB 0.581 32.941 32.500 -0.234 0.000 1.162 665 K HN 0.238 nan 8.250 nan 0.000 0.478 666 Y N 0.580 120.982 120.300 0.171 0.000 2.446 666 Y HA 0.273 4.823 4.550 -0.000 0.000 0.345 666 Y C 0.433 176.042 175.900 -0.485 0.000 0.984 666 Y CA -1.174 56.886 58.100 -0.067 0.000 1.058 666 Y CB 1.075 39.496 38.460 -0.065 0.000 1.220 666 Y HN -0.167 nan 8.280 nan 0.000 0.455 667 L N 1.530 122.493 121.223 -0.435 0.000 2.553 667 L HA 0.059 4.399 4.340 -0.000 0.000 0.185 667 L C 1.311 178.024 176.870 -0.262 0.000 1.137 667 L CA 0.295 54.731 54.840 -0.673 0.000 0.919 667 L CB -0.247 41.589 42.059 -0.372 0.000 1.560 667 L HN 0.728 nan 8.230 nan 0.000 0.515 668 Y N 1.224 121.399 120.300 -0.208 0.000 2.062 668 Y HA -0.023 4.527 4.550 -0.000 0.000 0.272 668 Y C -0.962 174.900 175.900 -0.063 0.000 1.117 668 Y CA 1.122 59.171 58.100 -0.085 0.000 1.095 668 Y CB -1.788 36.652 38.460 -0.033 0.000 0.985 668 Y HN 0.487 nan 8.280 nan 0.000 0.479 669 P HA -0.016 nan 4.420 nan 0.000 0.285 669 P C -0.989 176.131 177.300 -0.300 0.000 1.521 669 P CA 0.932 63.767 63.100 -0.442 0.000 0.792 669 P CB -0.748 30.846 31.700 -0.176 0.000 1.613 670 N N -0.320 118.217 118.700 -0.272 0.000 2.806 670 N HA -0.100 4.640 4.740 -0.000 0.000 0.248 670 N C -0.618 174.856 175.510 -0.059 0.000 1.081 670 N CA 0.379 53.327 53.050 -0.169 0.000 0.680 670 N CB -0.584 37.752 38.487 -0.251 0.000 0.941 670 N HN 0.141 nan 8.380 nan 0.000 0.554 671 I N 0.334 120.866 120.570 -0.063 0.000 2.525 671 I HA 0.319 4.489 4.170 -0.000 0.000 0.301 671 I C 0.789 176.887 176.117 -0.031 0.000 0.992 671 I CA -0.413 60.798 61.300 -0.149 0.000 1.162 671 I CB 1.082 38.932 38.000 -0.250 0.000 1.332 671 I HN -0.039 nan 8.210 nan 0.000 0.458 672 D N 4.385 124.768 120.400 -0.029 0.000 2.389 672 D HA 0.038 4.678 4.640 -0.000 0.000 0.247 672 D C 1.074 177.415 176.300 0.069 0.000 1.128 672 D CA -0.089 53.916 54.000 0.009 0.000 0.884 672 D CB 1.721 42.573 40.800 0.087 0.000 1.194 672 D HN 0.499 nan 8.370 nan 0.000 0.441 673 K N 1.978 122.445 120.400 0.111 0.000 2.032 673 K HA -0.233 4.087 4.320 -0.000 0.000 0.218 673 K C 0.854 177.664 176.600 0.351 0.000 1.054 673 K CA 1.707 58.211 56.287 0.361 0.000 0.941 673 K CB 0.166 32.844 32.500 0.297 0.000 0.720 673 K HN 0.394 nan 8.250 nan 0.000 0.449 674 D N -0.752 119.800 120.400 0.253 0.000 2.144 674 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 674 D C 1.997 178.341 176.300 0.074 0.000 0.978 674 D CA 0.809 54.949 54.000 0.235 0.000 0.833 674 D CB -0.457 40.481 40.800 0.229 0.000 0.961 674 D HN 0.389 nan 8.370 nan 0.000 0.470 675 H N 1.493 120.551 119.070 -0.020 0.000 2.319 675 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 675 H C 1.840 177.074 175.328 -0.156 0.000 1.097 675 H CA 2.069 58.074 56.048 -0.073 0.000 1.285 675 H CB 0.020 29.750 29.762 -0.052 0.000 1.368 675 H HN 0.093 nan 8.280 nan 0.000 0.495 676 A N 0.105 122.929 122.820 0.008 0.000 1.835 676 A HA -0.050 4.270 4.320 -0.000 0.000 0.213 676 A C 2.243 179.596 177.584 -0.386 0.000 1.210 676 A CA 1.161 53.033 52.037 -0.276 0.000 0.605 676 A CB -1.122 17.512 19.000 -0.609 0.000 0.860 676 A HN 0.339 nan 8.150 nan 0.000 0.447 677 F N 0.915 120.855 119.950 -0.017 0.000 2.811 677 F HA 0.178 4.705 4.527 -0.000 0.000 0.301 677 F C 2.339 177.733 175.800 -0.676 0.000 1.151 677 F CA 0.057 58.018 58.000 -0.065 0.000 1.412 677 F CB -0.601 38.388 39.000 -0.019 0.000 1.113 677 F HN 0.293 nan 8.300 nan 0.000 0.579 678 G N 1.991 110.450 108.800 -0.569 0.000 2.649 678 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.220 678 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.220 678 G C 1.735 176.337 174.900 -0.498 0.000 1.189 678 G CA 1.660 46.391 45.100 -0.616 0.000 0.777 678 G HN 0.515 nan 8.290 nan 0.000 0.602 679 K N -0.587 119.510 120.400 -0.506 0.000 2.211 679 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 679 K C 2.118 178.549 176.600 -0.282 0.000 1.050 679 K CA 1.534 57.580 56.287 -0.401 0.000 0.945 679 K CB -0.480 31.728 32.500 -0.486 0.000 0.732 679 K HN 0.427 nan 8.250 nan 0.000 0.451 680 Y N 0.152 120.413 120.300 -0.065 0.000 2.516 680 Y HA 0.043 4.593 4.550 -0.000 0.000 0.291 680 Y C 0.221 176.188 175.900 0.113 0.000 1.131 680 Y CA -0.569 57.553 58.100 0.037 0.000 1.281 680 Y CB -0.821 37.695 38.460 0.093 0.000 1.013 680 Y HN -0.110 nan 8.280 nan 0.000 0.554 681 Y N 0.902 121.307 120.300 0.176 0.000 2.810 681 Y HA -0.096 4.454 4.550 -0.000 0.000 0.332 681 Y C 2.041 177.983 175.900 0.071 0.000 1.243 681 Y CA -0.085 58.075 58.100 0.100 0.000 1.537 681 Y CB 0.371 38.863 38.460 0.055 0.000 1.265 681 Y HN 0.007 nan 8.280 nan 0.000 0.572 682 S N 2.757 118.593 115.700 0.227 0.000 2.365 682 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 682 S C 0.841 175.499 174.600 0.097 0.000 1.039 682 S CA 1.487 59.763 58.200 0.127 0.000 1.033 682 S CB 0.099 63.345 63.200 0.076 0.000 0.887 682 S HN 0.653 nan 8.310 nan 0.000 0.447 683 R N 0.000 120.549 120.500 0.082 0.000 2.786 683 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 683 R CA 0.000 56.131 56.100 0.051 0.000 0.921 683 R CB 0.000 30.311 30.300 0.019 0.000 0.687 683 R HN 0.000 nan 8.270 nan 0.000 0.535