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 3m8l_1_C DATA FIRST_RESID 129 DATA SEQUENCE SITTPEQGTT VGGVIAEPSV QMSAAADMAT GKSVDSEWEA FFSFHTSVNW DATA SEQUENCE STSETQGKIL FKQSLGPLLN PYLTHLAKLY VAWSGSIEVR FSISGSGVFG DATA SEQUENCE GKLAAIVVPP GIEPIQSTSM LQYPHVLFDA RQVEPVIFTI PDLRSTLYHL DATA SEQUENCE MSDTDTTSLV IMIYNDLINP YANDSNSSGC IVTVETKPGP DFKFHLLKPP DATA SEQUENCE GSMLTHGSVP CDLIPKSSSL WIGNRFWSDI TDFVIRPFVF QANRHFDFNQ DATA SEQUENCE ETAGWSTPRF RPITVTISQK EGEMLGIGVA TDYIVPGIPD GWPDTTIPNE DATA SEQUENCE LIPAGDYAIT NQSGNDIQTK EEYESAMIIS NNTNFKSMYI CGSLQRAWGN DATA SEQUENCE KKVSNTAFIT TATVKENKLI PSNTIDQTKI AIFQDNHVNR DVQTSDDTLA DATA SEQUENCE LLGYTGIGEE AIGADREKVV RIGVLPEAGA RGGNHPIFYR NSMKLGYVIK DATA SEQUENCE SIDVFNSQIL HTSRQLSLNN YLLSPDSFAV YRIIDSNGSW FDIGIDSDGF DATA SEQUENCE SFVGVSSIGK LEFPLTASYM GNQLAKIRLA SNIR 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 129 S HA 0.000 nan 4.470 nan 0.000 0.327 129 S C 0.000 174.599 174.600 -0.002 0.000 1.055 129 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 129 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 130 I N -0.548 120.021 120.570 -0.002 0.000 3.503 130 I HA 0.859 5.029 4.170 -0.000 0.000 0.240 130 I C 0.184 176.299 176.117 -0.003 0.000 1.315 130 I CA -0.216 61.083 61.300 -0.002 0.000 0.759 130 I CB 0.370 38.368 38.000 -0.003 0.000 1.733 130 I HN 1.013 nan 8.210 nan 0.000 0.854 131 T N 0.625 115.177 114.554 -0.003 0.000 3.559 131 T HA 0.349 4.699 4.350 -0.000 0.000 0.391 131 T C -0.445 174.253 174.700 -0.004 0.000 1.522 131 T CA -0.079 62.019 62.100 -0.003 0.000 1.159 131 T CB 0.207 69.073 68.868 -0.003 0.000 1.384 131 T HN 1.196 nan 8.240 nan 0.000 0.475 132 T N 3.121 117.672 114.554 -0.004 0.000 2.788 132 T HA 0.522 4.872 4.350 -0.000 0.000 0.287 132 T C -1.981 172.716 174.700 -0.005 0.000 1.007 132 T CA -1.313 60.784 62.100 -0.004 0.000 1.005 132 T CB 0.548 69.413 68.868 -0.004 0.000 1.012 132 T HN 0.517 nan 8.240 nan 0.000 0.530 133 P HA 0.200 nan 4.420 nan 0.000 0.231 133 P C -0.049 177.247 177.300 -0.006 0.000 1.756 133 P CA 0.411 63.506 63.100 -0.008 0.000 0.990 133 P CB -0.188 31.506 31.700 -0.010 0.000 1.973 134 E N -0.880 119.318 120.200 -0.005 0.000 1.187 134 E HA -0.066 4.284 4.350 -0.000 0.000 0.208 134 E C 0.161 176.760 176.600 -0.003 0.000 1.023 134 E CA -0.084 56.314 56.400 -0.003 0.000 0.949 134 E CB -0.452 29.246 29.700 -0.003 0.000 4.811 134 E HN 0.102 nan 8.360 nan 0.000 0.630 135 Q N 0.924 120.722 119.800 -0.003 0.000 2.535 135 Q HA 0.544 4.884 4.340 -0.000 0.000 0.228 135 Q C 0.106 176.105 176.000 -0.002 0.000 1.062 135 Q CA 1.698 57.499 55.803 -0.002 0.000 0.967 135 Q CB 1.262 29.999 28.738 -0.002 0.000 1.273 135 Q HN 0.398 nan 8.270 nan 0.000 0.554 136 G N -0.245 108.554 108.800 -0.002 0.000 2.347 136 G HA2 0.126 4.086 3.960 -0.000 0.000 0.321 136 G HA3 0.126 4.086 3.960 -0.000 0.000 0.321 136 G C -1.372 173.527 174.900 -0.001 0.000 1.412 136 G CA -0.394 44.705 45.100 -0.002 0.000 0.990 136 G HN 0.633 nan 8.290 nan 0.000 0.637 137 T N 0.099 114.652 114.554 -0.001 0.000 2.727 137 T HA 0.552 4.902 4.350 -0.000 0.000 0.298 137 T C 1.050 175.750 174.700 -0.001 0.000 0.942 137 T CA 0.892 62.991 62.100 -0.001 0.000 0.997 137 T CB 0.027 68.894 68.868 -0.001 0.000 0.917 137 T HN 1.460 nan 8.240 nan 0.000 0.487 138 T N 2.969 117.523 114.554 -0.001 0.000 2.860 138 T HA 0.326 4.676 4.350 -0.000 0.000 0.299 138 T C 0.912 175.612 174.700 -0.000 0.000 1.045 138 T CA -0.381 61.719 62.100 -0.000 0.000 1.071 138 T CB 0.697 69.565 68.868 -0.000 0.000 0.985 138 T HN 0.437 nan 8.240 nan 0.000 0.537 139 V N 1.248 121.162 119.914 -0.000 0.000 3.294 139 V HA 0.470 4.590 4.120 -0.000 0.000 0.255 139 V C 1.165 177.259 176.094 0.000 0.000 1.528 139 V CA 0.118 62.418 62.300 -0.000 0.000 1.086 139 V CB -0.476 31.347 31.823 -0.000 0.000 0.906 139 V HN 1.514 nan 8.190 nan 0.000 0.433 140 G N 0.964 109.764 108.800 0.000 0.000 2.854 140 G HA2 0.171 4.131 3.960 -0.000 0.000 0.686 140 G HA3 0.171 4.131 3.960 -0.000 0.000 0.686 140 G C 0.370 175.270 174.900 0.000 0.000 1.202 140 G CA -0.258 44.843 45.100 0.000 0.000 0.878 140 G HN 1.089 nan 8.290 nan 0.000 0.583 141 G N -0.058 108.742 108.800 0.001 0.000 3.026 141 G HA2 0.375 4.335 3.960 -0.000 0.000 0.232 141 G HA3 0.375 4.335 3.960 -0.000 0.000 0.232 141 G C 1.376 176.276 174.900 0.000 0.000 1.241 141 G CA 0.541 45.641 45.100 0.001 0.000 0.858 141 G HN 1.582 nan 8.290 nan 0.000 0.592 142 V N 1.597 121.512 119.914 0.000 0.000 2.326 142 V HA -0.031 4.089 4.120 -0.000 0.000 0.238 142 V C 2.240 178.334 176.094 0.000 0.000 1.038 142 V CA 1.100 63.400 62.300 0.000 0.000 1.032 142 V CB -0.459 31.364 31.823 0.000 0.000 0.675 142 V HN 0.687 nan 8.190 nan 0.000 0.467 143 I N 0.510 121.080 120.570 0.000 0.000 3.883 143 I HA 0.308 4.478 4.170 -0.000 0.000 0.326 143 I C 1.348 177.465 176.117 0.000 0.000 1.283 143 I CA 0.288 61.588 61.300 0.000 0.000 1.161 143 I CB -1.414 36.587 38.000 0.000 0.000 1.012 143 I HN 0.217 nan 8.210 nan 0.000 0.421 144 A N 1.473 124.293 122.820 0.001 0.000 3.063 144 A HA 0.212 4.532 4.320 -0.000 0.000 0.263 144 A C 1.308 178.892 177.584 0.000 0.000 1.736 144 A CA -0.206 51.832 52.037 0.001 0.000 1.408 144 A CB -0.694 18.306 19.000 0.001 0.000 1.108 144 A HN 0.397 nan 8.150 nan 0.000 0.621 145 E N 0.965 121.165 120.200 0.000 0.000 2.152 145 E HA 0.000 4.350 4.350 -0.000 0.000 0.192 145 E C -1.241 175.359 176.600 0.000 0.000 0.983 145 E CA 0.276 56.676 56.400 0.000 0.000 0.818 145 E CB -0.637 29.064 29.700 0.000 0.000 0.758 145 E HN 0.584 nan 8.360 nan 0.000 0.467 146 P HA -0.115 nan 4.420 nan 0.000 0.014 146 P C -0.817 176.483 177.300 0.001 0.000 0.542 146 P CA 1.156 64.256 63.100 0.000 0.000 1.035 146 P CB -1.026 30.674 31.700 0.000 0.000 1.909 147 S N -2.559 113.142 115.700 0.001 0.000 3.053 147 S HA 0.414 4.884 4.470 -0.000 0.000 0.255 147 S C 0.265 174.866 174.600 0.001 0.000 0.976 147 S CA 0.197 58.397 58.200 0.001 0.000 1.159 147 S CB 0.152 63.353 63.200 0.001 0.000 1.110 147 S HN 0.319 nan 8.310 nan 0.000 0.633 148 V N -1.423 118.491 119.914 0.001 0.000 3.145 148 V HA 0.677 4.797 4.120 -0.000 0.000 0.311 148 V C 0.654 176.748 176.094 0.000 0.000 1.238 148 V CA -0.791 61.510 62.300 0.001 0.000 1.066 148 V CB 0.540 32.363 31.823 0.000 0.000 1.144 148 V HN 0.323 nan 8.190 nan 0.000 0.465 149 Q N -0.739 119.061 119.800 -0.000 0.000 2.137 149 Q HA -0.299 4.041 4.340 -0.000 0.000 0.271 149 Q C 0.906 176.905 176.000 -0.001 0.000 1.010 149 Q CA 2.232 58.035 55.803 -0.001 0.000 0.973 149 Q CB -1.668 27.069 28.738 -0.001 0.000 1.437 149 Q HN 0.716 nan 8.270 nan 0.000 0.586 150 M N 0.562 120.162 119.600 0.000 0.000 2.077 150 M HA -0.098 4.382 4.480 -0.000 0.000 0.261 150 M C 1.770 178.070 176.300 0.000 0.000 1.070 150 M CA 2.273 57.573 55.300 0.000 0.000 1.125 150 M CB -0.964 31.637 32.600 0.001 0.000 1.339 150 M HN 0.615 nan 8.290 nan 0.000 0.409 151 S N 0.428 116.128 115.700 0.001 0.000 2.559 151 S HA -0.057 4.413 4.470 -0.000 0.000 0.250 151 S C 1.832 176.431 174.600 -0.001 0.000 0.977 151 S CA 0.906 59.106 58.200 0.001 0.000 0.958 151 S CB -0.963 62.238 63.200 0.002 0.000 0.751 151 S HN 0.465 nan 8.310 nan 0.000 0.534 152 A N 2.675 125.494 122.820 -0.001 0.000 1.848 152 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 152 A C 2.648 180.231 177.584 -0.003 0.000 1.220 152 A CA 2.285 54.320 52.037 -0.002 0.000 0.645 152 A CB -1.758 17.241 19.000 -0.002 0.000 0.842 152 A HN 1.064 nan 8.150 nan 0.000 0.451 153 A N -0.803 122.016 122.820 -0.002 0.000 1.898 153 A HA 0.196 4.516 4.320 -0.000 0.000 0.216 153 A C 2.530 180.113 177.584 -0.002 0.000 1.181 153 A CA 2.247 54.283 52.037 -0.002 0.000 0.620 153 A CB -1.166 17.832 19.000 -0.002 0.000 0.819 153 A HN 1.345 nan 8.150 nan 0.000 0.442 154 A N -0.091 122.728 122.820 -0.001 0.000 1.958 154 A HA -0.294 4.026 4.320 -0.000 0.000 0.221 154 A C 1.907 179.490 177.584 -0.002 0.000 1.178 154 A CA 2.128 54.165 52.037 -0.001 0.000 0.642 154 A CB -0.709 18.291 19.000 0.001 0.000 0.816 154 A HN 0.509 nan 8.150 nan 0.000 0.453 155 D N -0.760 119.639 120.400 -0.003 0.000 2.158 155 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 155 D C 1.933 178.229 176.300 -0.007 0.000 0.995 155 D CA 1.505 55.502 54.000 -0.005 0.000 0.846 155 D CB -0.149 40.648 40.800 -0.006 0.000 0.941 155 D HN 0.306 nan 8.370 nan 0.000 0.456 156 M N 0.572 120.169 119.600 -0.006 0.000 2.117 156 M HA -0.078 4.402 4.480 -0.000 0.000 0.262 156 M C 2.466 178.762 176.300 -0.006 0.000 1.065 156 M CA 0.855 56.151 55.300 -0.007 0.000 1.114 156 M CB -1.568 31.029 32.600 -0.005 0.000 1.361 156 M HN -0.015 nan 8.290 nan 0.000 0.408 157 A N -0.161 122.657 122.820 -0.005 0.000 2.009 157 A HA -0.179 4.141 4.320 -0.000 0.000 0.222 157 A C 1.889 179.470 177.584 -0.005 0.000 1.175 157 A CA 2.430 54.464 52.037 -0.004 0.000 0.651 157 A CB -0.923 18.075 19.000 -0.002 0.000 0.815 157 A HN 0.586 nan 8.150 nan 0.000 0.459 158 T N -2.321 112.229 114.554 -0.007 0.000 3.209 158 T HA 0.413 4.763 4.350 -0.000 0.000 0.295 158 T C 1.084 175.775 174.700 -0.015 0.000 0.977 158 T CA 0.333 62.427 62.100 -0.009 0.000 0.922 158 T CB 0.342 69.207 68.868 -0.006 0.000 1.152 158 T HN 1.312 nan 8.240 nan 0.000 0.527 159 G N 3.054 111.846 108.800 -0.014 0.000 2.485 159 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.315 159 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.315 159 G C 0.292 175.177 174.900 -0.026 0.000 0.914 159 G CA 0.637 45.726 45.100 -0.018 0.000 0.889 159 G HN 0.455 nan 8.290 nan 0.000 0.512 160 K N 0.098 120.482 120.400 -0.026 0.000 2.202 160 K HA 0.451 4.770 4.320 -0.000 0.000 0.264 160 K C 1.288 177.864 176.600 -0.039 0.000 1.010 160 K CA 0.388 56.653 56.287 -0.037 0.000 0.940 160 K CB 0.889 33.372 32.500 -0.029 0.000 0.983 160 K HN 0.345 nan 8.250 nan 0.000 0.475 161 S N 1.823 117.489 115.700 -0.055 0.000 3.769 161 S HA 0.170 4.640 4.470 -0.000 0.000 0.183 161 S C 0.326 174.882 174.600 -0.073 0.000 0.903 161 S CA -0.539 57.626 58.200 -0.058 0.000 1.413 161 S CB -0.377 62.786 63.200 -0.061 0.000 0.753 161 S HN 0.297 nan 8.310 nan 0.000 0.773 162 V N 3.910 123.764 119.914 -0.100 0.000 2.617 162 V HA 0.026 4.146 4.120 -0.000 0.000 0.304 162 V C 0.368 176.362 176.094 -0.167 0.000 1.040 162 V CA 0.410 62.631 62.300 -0.132 0.000 1.149 162 V CB 0.041 31.764 31.823 -0.166 0.000 0.914 162 V HN 0.702 nan 8.190 nan 0.000 0.487 163 D N 2.276 122.593 120.400 -0.138 0.000 2.403 163 D HA -0.083 4.557 4.640 -0.000 0.000 0.227 163 D C 1.160 177.271 176.300 -0.315 0.000 0.995 163 D CA 1.022 54.956 54.000 -0.109 0.000 0.928 163 D CB -0.173 40.613 40.800 -0.023 0.000 0.887 163 D HN 0.657 nan 8.370 nan 0.000 0.529 164 S N -0.204 115.160 115.700 -0.560 0.000 2.661 164 S HA 0.055 4.525 4.470 -0.000 0.000 0.245 164 S C 1.301 175.233 174.600 -1.114 0.000 1.117 164 S CA -0.766 56.685 58.200 -1.248 0.000 1.091 164 S CB -0.148 62.573 63.200 -0.799 0.000 0.887 164 S HN 0.315 nan 8.310 nan 0.000 0.491 165 E N 1.671 121.474 120.200 -0.662 0.000 2.233 165 E HA -0.279 4.071 4.350 -0.000 0.000 0.199 165 E C 1.431 177.859 176.600 -0.288 0.000 1.004 165 E CA 1.750 57.922 56.400 -0.380 0.000 0.819 165 E CB -0.848 28.697 29.700 -0.259 0.000 0.738 165 E HN 0.936 nan 8.360 nan 0.000 0.478 166 W N 1.948 123.205 121.300 -0.071 0.000 2.418 166 W HA 0.081 4.741 4.660 -0.000 0.000 0.292 166 W C 1.320 177.877 176.519 0.062 0.000 1.213 166 W CA 0.704 58.074 57.345 0.041 0.000 1.283 166 W CB -0.481 28.838 29.460 -0.234 0.000 1.119 166 W HN -0.139 nan 8.180 nan 0.000 0.542 167 E N 0.539 120.411 120.200 -0.546 0.000 2.482 167 E HA 0.102 4.452 4.350 -0.000 0.000 0.200 167 E C 1.511 178.006 176.600 -0.175 0.000 1.147 167 E CA 0.489 56.739 56.400 -0.250 0.000 0.912 167 E CB -0.093 29.410 29.700 -0.327 0.000 0.938 167 E HN 0.524 nan 8.360 nan 0.000 0.519 168 A N 0.651 123.408 122.820 -0.105 0.000 1.865 168 A HA 0.201 4.521 4.320 -0.000 0.000 0.204 168 A C 0.667 178.241 177.584 -0.017 0.000 1.791 168 A CA -0.465 51.529 52.037 -0.073 0.000 1.067 168 A CB -0.137 18.819 19.000 -0.073 0.000 1.069 168 A HN 0.287 nan 8.150 nan 0.000 0.556 169 F N -1.289 118.544 119.950 -0.194 0.000 2.373 169 F HA 0.683 5.210 4.527 -0.000 0.000 0.302 169 F C -0.335 175.344 175.800 -0.203 0.000 1.247 169 F CA -0.941 56.983 58.000 -0.127 0.000 1.169 169 F CB 0.192 39.171 39.000 -0.035 0.000 1.309 169 F HN 0.072 nan 8.300 nan 0.000 0.537 170 F N 0.900 120.590 119.950 -0.434 0.000 2.443 170 F HA 0.402 4.929 4.527 -0.000 0.000 0.335 170 F C 0.283 175.710 175.800 -0.621 0.000 1.104 170 F CA -0.453 57.272 58.000 -0.458 0.000 1.013 170 F CB 1.839 40.747 39.000 -0.153 0.000 1.136 170 F HN 0.544 nan 8.300 nan 0.000 0.470 171 S N 4.028 119.593 115.700 -0.224 0.000 2.501 171 S HA 0.469 4.939 4.470 -0.000 0.000 0.301 171 S C -0.766 173.921 174.600 0.146 0.000 1.096 171 S CA -0.580 57.562 58.200 -0.096 0.000 1.063 171 S CB 0.500 63.646 63.200 -0.090 0.000 1.042 171 S HN 0.412 nan 8.310 nan 0.000 0.494 172 F N 3.540 123.517 119.950 0.044 0.000 2.553 172 F HA 0.288 4.815 4.527 -0.000 0.000 0.356 172 F C 0.896 176.742 175.800 0.077 0.000 1.142 172 F CA 0.725 58.763 58.000 0.062 0.000 1.322 172 F CB 0.612 39.645 39.000 0.055 0.000 1.126 172 F HN 0.960 nan 8.300 nan 0.000 0.599 173 H N 1.009 119.508 119.070 -0.953 0.000 2.269 173 H HA 0.294 4.850 4.556 -0.000 0.000 0.216 173 H C -0.250 174.387 175.328 -1.151 0.000 0.985 173 H CA 0.631 56.226 56.048 -0.755 0.000 1.274 173 H CB 0.721 30.212 29.762 -0.452 0.000 1.283 173 H HN 0.640 nan 8.280 nan 0.000 0.491 174 T N -0.495 113.529 114.554 -0.883 0.000 2.769 174 T HA 0.507 4.856 4.350 -0.000 0.000 0.306 174 T C -1.871 172.748 174.700 -0.135 0.000 1.400 174 T CA -0.180 61.630 62.100 -0.483 0.000 1.007 174 T CB 1.303 70.173 68.868 0.002 0.000 1.392 174 T HN 0.524 nan 8.240 nan 0.000 0.500 175 S N 0.551 116.377 115.700 0.211 0.000 2.556 175 S HA 0.866 5.335 4.470 -0.000 0.000 0.271 175 S C -1.402 173.326 174.600 0.213 0.000 1.135 175 S CA -0.711 57.684 58.200 0.326 0.000 0.858 175 S CB 1.548 65.024 63.200 0.460 0.000 1.114 175 S HN 0.700 nan 8.310 nan 0.000 0.468 176 V N 1.450 121.494 119.914 0.217 0.000 3.040 176 V HA 0.576 4.696 4.120 -0.000 0.000 0.312 176 V C -0.715 175.472 176.094 0.155 0.000 1.115 176 V CA -0.943 61.416 62.300 0.099 0.000 0.998 176 V CB 2.141 33.928 31.823 -0.061 0.000 1.042 176 V HN 0.971 nan 8.190 nan 0.000 0.433 177 N N 2.128 120.914 118.700 0.142 0.000 2.521 177 N HA 0.105 4.845 4.740 -0.000 0.000 0.236 177 N C -1.057 174.588 175.510 0.224 0.000 1.067 177 N CA -0.452 52.700 53.050 0.169 0.000 0.939 177 N CB 0.483 39.056 38.487 0.142 0.000 1.201 177 N HN 0.735 nan 8.380 nan 0.000 0.511 178 W N 4.623 125.940 121.300 0.028 0.000 2.507 178 W HA 0.318 4.978 4.660 -0.000 0.000 0.334 178 W C -0.039 176.465 176.519 -0.025 0.000 1.165 178 W CA -0.853 56.494 57.345 0.004 0.000 1.460 178 W CB -0.083 29.379 29.460 0.003 0.000 1.404 178 W HN 0.255 nan 8.180 nan 0.000 0.435 179 S N 3.278 118.982 115.700 0.005 0.000 2.586 179 S HA 0.147 4.617 4.470 -0.000 0.000 0.274 179 S C 1.518 175.917 174.600 -0.336 0.000 1.281 179 S CA 0.207 58.306 58.200 -0.169 0.000 1.035 179 S CB 1.183 64.369 63.200 -0.023 0.000 0.962 179 S HN 0.602 nan 8.310 nan 0.000 0.512 180 T N 0.914 115.244 114.554 -0.374 0.000 3.072 180 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 180 T C 1.318 175.922 174.700 -0.159 0.000 1.127 180 T CA 1.283 63.170 62.100 -0.355 0.000 1.107 180 T CB -0.464 68.207 68.868 -0.328 0.000 0.910 180 T HN 0.577 nan 8.240 nan 0.000 0.513 181 S N -0.700 114.944 115.700 -0.094 0.000 2.577 181 S HA 0.295 4.765 4.470 -0.000 0.000 0.219 181 S C 0.153 174.758 174.600 0.008 0.000 0.962 181 S CA -0.659 57.520 58.200 -0.036 0.000 0.921 181 S CB -0.229 62.955 63.200 -0.027 0.000 0.789 181 S HN 0.571 nan 8.310 nan 0.000 0.497 182 E N 3.131 123.357 120.200 0.043 0.000 1.996 182 E HA 0.227 4.577 4.350 -0.000 0.000 0.280 182 E C 0.079 176.755 176.600 0.127 0.000 1.092 182 E CA -0.151 56.317 56.400 0.114 0.000 0.862 182 E CB 0.744 30.577 29.700 0.222 0.000 1.066 182 E HN 0.331 nan 8.360 nan 0.000 0.396 183 T N 2.835 117.434 114.554 0.076 0.000 2.939 183 T HA -0.189 4.161 4.350 -0.000 0.000 0.312 183 T C 0.332 175.075 174.700 0.071 0.000 1.064 183 T CA -0.009 62.127 62.100 0.060 0.000 1.136 183 T CB 0.503 69.390 68.868 0.033 0.000 1.035 183 T HN 0.552 nan 8.240 nan 0.000 0.538 184 Q N 2.401 122.233 119.800 0.054 0.000 2.394 184 Q HA 0.183 4.523 4.340 -0.000 0.000 0.347 184 Q C 0.755 176.769 176.000 0.024 0.000 1.144 184 Q CA 0.993 56.818 55.803 0.037 0.000 1.050 184 Q CB -0.511 28.222 28.738 -0.007 0.000 1.188 184 Q HN 1.311 nan 8.270 nan 0.000 0.406 185 G N 3.286 112.101 108.800 0.025 0.000 2.920 185 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.210 185 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.210 185 G C -0.829 174.081 174.900 0.018 0.000 0.806 185 G CA 0.572 45.682 45.100 0.017 0.000 0.853 185 G HN 0.650 nan 8.290 nan 0.000 0.333 186 K N 2.558 122.964 120.400 0.011 0.000 2.582 186 K HA 0.349 4.669 4.320 -0.000 0.000 0.259 186 K C 0.652 177.239 176.600 -0.022 0.000 0.973 186 K CA -1.230 55.062 56.287 0.008 0.000 0.880 186 K CB 0.765 33.285 32.500 0.033 0.000 1.310 186 K HN 0.342 nan 8.250 nan 0.000 0.443 187 I N 5.006 125.561 120.570 -0.024 0.000 3.003 187 I HA -0.092 4.077 4.170 -0.000 0.000 0.294 187 I C 1.099 177.133 176.117 -0.138 0.000 1.237 187 I CA 0.645 61.912 61.300 -0.056 0.000 1.417 187 I CB 0.237 38.215 38.000 -0.036 0.000 1.340 187 I HN 0.812 nan 8.210 nan 0.000 0.594 188 L N 3.579 124.642 121.223 -0.267 0.000 3.316 188 L HA 0.222 4.562 4.340 -0.000 0.000 0.300 188 L C -0.524 175.671 176.870 -1.126 0.000 1.128 188 L CA 0.312 54.758 54.840 -0.658 0.000 1.111 188 L CB 0.474 42.070 42.059 -0.771 0.000 1.687 188 L HN 0.370 nan 8.230 nan 0.000 0.594 189 F N 0.032 119.938 119.950 -0.072 0.000 3.094 189 F HA 0.303 4.830 4.527 -0.000 0.000 0.385 189 F C 0.849 176.584 175.800 -0.110 0.000 1.231 189 F CA -0.596 57.325 58.000 -0.131 0.000 1.207 189 F CB 0.826 39.702 39.000 -0.207 0.000 1.703 189 F HN -0.287 nan 8.300 nan 0.000 0.610 190 K N 0.044 120.457 120.400 0.021 0.000 2.589 190 K HA 0.013 4.333 4.320 -0.000 0.000 0.192 190 K C 0.718 177.318 176.600 -0.000 0.000 1.029 190 K CA 0.051 56.343 56.287 0.009 0.000 1.031 190 K CB 0.041 32.540 32.500 -0.001 0.000 0.821 190 K HN 0.397 nan 8.250 nan 0.000 0.502 191 Q N 1.422 121.217 119.800 -0.009 0.000 2.308 191 Q HA -0.051 4.288 4.340 -0.000 0.000 0.313 191 Q C -0.120 175.838 176.000 -0.071 0.000 1.075 191 Q CA 0.718 56.475 55.803 -0.076 0.000 0.995 191 Q CB 0.659 29.269 28.738 -0.213 0.000 1.107 191 Q HN 0.208 nan 8.270 nan 0.000 0.380 192 S N 1.736 117.400 115.700 -0.060 0.000 2.607 192 S HA 0.555 5.025 4.470 -0.000 0.000 0.303 192 S C -0.187 174.364 174.600 -0.080 0.000 1.086 192 S CA -1.108 57.060 58.200 -0.053 0.000 0.995 192 S CB 1.641 64.825 63.200 -0.027 0.000 1.084 192 S HN 0.466 nan 8.310 nan 0.000 0.507 193 L N 1.499 122.679 121.223 -0.071 0.000 2.492 193 L HA 0.511 4.851 4.340 -0.000 0.000 0.280 193 L C 0.659 177.403 176.870 -0.209 0.000 1.240 193 L CA 2.264 57.037 54.840 -0.112 0.000 0.831 193 L CB -0.387 41.669 42.059 -0.005 0.000 1.100 193 L HN 1.314 nan 8.230 nan 0.000 0.505 194 G N 2.724 111.226 108.800 -0.496 0.000 2.653 194 G HA2 0.012 3.972 3.960 -0.000 0.000 0.656 194 G HA3 0.012 3.972 3.960 -0.000 0.000 0.656 194 G C -2.251 172.219 174.900 -0.716 0.000 1.419 194 G CA -0.274 44.314 45.100 -0.854 0.000 0.862 194 G HN 0.534 nan 8.290 nan 0.000 0.639 195 P HA -0.081 nan 4.420 nan 0.000 0.231 195 P C 1.882 179.040 177.300 -0.235 0.000 1.154 195 P CA 0.573 63.419 63.100 -0.425 0.000 0.762 195 P CB 0.117 31.654 31.700 -0.272 0.000 0.790 196 L N -1.678 119.403 121.223 -0.236 0.000 2.456 196 L HA -0.110 4.230 4.340 -0.000 0.000 0.224 196 L C 2.526 179.333 176.870 -0.105 0.000 1.148 196 L CA 0.624 55.380 54.840 -0.140 0.000 0.825 196 L CB -0.812 41.177 42.059 -0.116 0.000 0.937 196 L HN -0.035 nan 8.230 nan 0.000 0.450 197 L N -0.752 120.408 121.223 -0.105 0.000 1.925 197 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 197 L C 1.444 178.286 176.870 -0.048 0.000 1.091 197 L CA 0.802 55.642 54.840 -0.000 0.000 0.768 197 L CB -0.629 41.408 42.059 -0.038 0.000 0.887 197 L HN 0.310 nan 8.230 nan 0.000 0.433 198 N N 1.024 119.695 118.700 -0.048 0.000 2.492 198 N HA -0.013 4.727 4.740 -0.000 0.000 0.262 198 N C -1.802 173.713 175.510 0.008 0.000 1.202 198 N CA -1.155 51.890 53.050 -0.009 0.000 0.926 198 N CB 1.544 40.033 38.487 0.002 0.000 1.078 198 N HN 0.012 nan 8.380 nan 0.000 0.454 199 P HA -0.144 nan 4.420 nan 0.000 0.215 199 P C 0.879 178.179 177.300 0.001 0.000 1.157 199 P CA 1.381 64.469 63.100 -0.019 0.000 0.859 199 P CB 0.036 31.698 31.700 -0.062 0.000 0.786 200 Y N 0.578 120.868 120.300 -0.016 0.000 2.014 200 Y HA -0.206 4.344 4.550 -0.000 0.000 0.270 200 Y C 2.919 178.784 175.900 -0.058 0.000 1.145 200 Y CA 1.373 59.419 58.100 -0.091 0.000 1.106 200 Y CB -1.797 36.588 38.460 -0.126 0.000 0.968 200 Y HN -0.246 nan 8.280 nan 0.000 0.484 201 L N -1.052 120.295 121.223 0.206 0.000 2.010 201 L HA -0.377 3.963 4.340 -0.000 0.000 0.219 201 L C 2.564 179.559 176.870 0.208 0.000 1.077 201 L CA 2.139 57.135 54.840 0.259 0.000 0.773 201 L CB -1.209 40.985 42.059 0.226 0.000 0.892 201 L HN 0.291 nan 8.230 nan 0.000 0.436 202 T N -1.941 112.670 114.554 0.094 0.000 2.685 202 T HA -0.320 4.030 4.350 -0.000 0.000 0.268 202 T C 1.814 176.522 174.700 0.014 0.000 1.034 202 T CA 2.066 64.184 62.100 0.029 0.000 1.149 202 T CB -0.215 68.633 68.868 -0.033 0.000 0.860 202 T HN 0.473 nan 8.240 nan 0.000 0.449 203 H N -0.054 118.991 119.070 -0.042 0.000 2.299 203 H HA 0.126 4.682 4.556 -0.000 0.000 0.302 203 H C 2.216 177.511 175.328 -0.055 0.000 1.078 203 H CA 1.654 57.656 56.048 -0.076 0.000 1.323 203 H CB -0.421 29.244 29.762 -0.163 0.000 1.381 203 H HN 0.292 nan 8.280 nan 0.000 0.498 204 L N -0.038 121.207 121.223 0.038 0.000 2.012 204 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 204 L C 2.463 179.305 176.870 -0.048 0.000 1.073 204 L CA 1.449 56.256 54.840 -0.055 0.000 0.748 204 L CB -0.681 41.279 42.059 -0.165 0.000 0.891 204 L HN 0.454 nan 8.230 nan 0.000 0.431 205 A N -0.435 122.475 122.820 0.149 0.000 2.093 205 A HA -0.313 4.007 4.320 -0.000 0.000 0.222 205 A C 2.239 179.970 177.584 0.246 0.000 1.162 205 A CA 2.050 54.342 52.037 0.425 0.000 0.655 205 A CB -0.634 18.624 19.000 0.429 0.000 0.805 205 A HN 0.516 nan 8.150 nan 0.000 0.461 206 K N -0.865 119.568 120.400 0.055 0.000 2.281 206 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 206 K C 0.969 177.603 176.600 0.056 0.000 1.046 206 K CA 1.165 57.450 56.287 -0.002 0.000 0.938 206 K CB -0.246 32.151 32.500 -0.171 0.000 0.737 206 K HN 0.592 nan 8.250 nan 0.000 0.458 207 L N -0.460 120.840 121.223 0.127 0.000 2.607 207 L HA 0.134 4.474 4.340 -0.000 0.000 0.228 207 L C 0.133 177.026 176.870 0.039 0.000 1.123 207 L CA -0.179 54.709 54.840 0.080 0.000 0.890 207 L CB 0.003 42.096 42.059 0.056 0.000 1.103 207 L HN -0.018 nan 8.230 nan 0.000 0.468 208 Y N -1.753 118.593 120.300 0.077 0.000 3.013 208 Y HA 0.520 5.070 4.550 -0.000 0.000 0.310 208 Y C 0.925 176.951 175.900 0.209 0.000 1.450 208 Y CA -0.875 57.325 58.100 0.168 0.000 1.091 208 Y CB 1.103 39.775 38.460 0.354 0.000 1.373 208 Y HN -0.375 nan 8.280 nan 0.000 0.590 209 V N -2.938 117.243 119.914 0.445 0.000 3.363 209 V HA 0.621 4.741 4.120 -0.000 0.000 0.270 209 V C -0.151 176.152 176.094 0.348 0.000 1.667 209 V CA -0.108 62.385 62.300 0.321 0.000 1.034 209 V CB 0.126 32.068 31.823 0.198 0.000 0.857 209 V HN 0.617 nan 8.190 nan 0.000 0.410 210 A N 1.942 125.001 122.820 0.399 0.000 2.343 210 A HA 0.789 5.109 4.320 -0.000 0.000 0.308 210 A C -1.082 176.655 177.584 0.254 0.000 1.092 210 A CA -0.480 51.733 52.037 0.292 0.000 0.751 210 A CB 1.471 20.567 19.000 0.160 0.000 1.203 210 A HN 0.765 nan 8.150 nan 0.000 0.452 211 W N 1.291 122.583 121.300 -0.013 0.000 3.107 211 W HA 0.780 5.440 4.660 -0.000 0.000 0.331 211 W C -0.983 175.502 176.519 -0.057 0.000 1.204 211 W CA -0.563 56.573 57.345 -0.347 0.000 1.184 211 W CB 1.199 30.335 29.460 -0.541 0.000 1.421 211 W HN 1.112 nan 8.180 nan 0.000 0.544 212 S N 1.070 116.858 115.700 0.147 0.000 2.587 212 S HA 0.865 5.335 4.470 -0.000 0.000 0.269 212 S C -0.262 174.555 174.600 0.361 0.000 1.154 212 S CA -0.143 58.182 58.200 0.208 0.000 0.824 212 S CB 1.484 64.730 63.200 0.075 0.000 1.118 212 S HN 2.133 nan 8.310 nan 0.000 0.462 213 G N 0.802 109.837 108.800 0.393 0.000 2.466 213 G HA2 0.345 4.305 3.960 -0.000 0.000 0.316 213 G HA3 0.345 4.305 3.960 -0.000 0.000 0.316 213 G C -0.343 174.814 174.900 0.429 0.000 1.270 213 G CA -0.044 45.287 45.100 0.384 0.000 0.982 213 G HN 2.089 nan 8.290 nan 0.000 0.506 214 S N -1.340 114.534 115.700 0.290 0.000 2.798 214 S HA 0.886 5.356 4.470 -0.000 0.000 0.312 214 S C -0.341 174.246 174.600 -0.021 0.000 1.122 214 S CA -0.688 57.600 58.200 0.148 0.000 0.949 214 S CB 2.103 65.366 63.200 0.105 0.000 1.235 214 S HN 1.197 nan 8.310 nan 0.000 0.552 215 I N 0.908 121.428 120.570 -0.084 0.000 2.534 215 I HA 0.332 4.502 4.170 -0.000 0.000 0.288 215 I C -0.489 175.604 176.117 -0.041 0.000 1.077 215 I CA -0.525 60.668 61.300 -0.178 0.000 1.051 215 I CB 2.108 39.941 38.000 -0.277 0.000 1.234 215 I HN 0.703 nan 8.210 nan 0.000 0.425 216 E N 5.157 125.351 120.200 -0.010 0.000 2.366 216 E HA 0.412 4.762 4.350 -0.000 0.000 0.266 216 E C -1.005 175.721 176.600 0.211 0.000 1.051 216 E CA -0.540 55.930 56.400 0.117 0.000 0.884 216 E CB 2.114 31.885 29.700 0.119 0.000 1.006 216 E HN 0.215 nan 8.360 nan 0.000 0.417 217 V N 3.020 123.108 119.914 0.290 0.000 2.419 217 V HA 0.238 4.358 4.120 -0.000 0.000 0.287 217 V C -0.210 176.032 176.094 0.247 0.000 1.017 217 V CA -0.703 61.760 62.300 0.272 0.000 0.844 217 V CB 1.270 33.200 31.823 0.179 0.000 1.011 217 V HN 0.562 nan 8.190 nan 0.000 0.429 218 R N 5.504 126.024 120.500 0.034 0.000 2.312 218 R HA 0.816 5.156 4.340 -0.000 0.000 0.311 218 R C -1.226 175.063 176.300 -0.018 0.000 1.004 218 R CA -0.254 55.648 56.100 -0.330 0.000 0.902 218 R CB 1.110 30.666 30.300 -1.240 0.000 1.073 218 R HN 0.665 nan 8.270 nan 0.000 0.457 219 F N 0.348 120.096 119.950 -0.337 0.000 2.744 219 F HA 0.576 5.103 4.527 -0.000 0.000 0.311 219 F C -1.345 174.400 175.800 -0.091 0.000 1.144 219 F CA -0.892 56.987 58.000 -0.202 0.000 0.938 219 F CB 1.302 40.166 39.000 -0.227 0.000 1.292 219 F HN 0.649 nan 8.300 nan 0.000 0.444 220 S N 1.907 117.650 115.700 0.072 0.000 2.727 220 S HA 0.852 5.322 4.470 -0.000 0.000 0.278 220 S C -1.634 173.005 174.600 0.065 0.000 1.186 220 S CA -0.602 57.605 58.200 0.011 0.000 0.836 220 S CB 2.010 65.200 63.200 -0.017 0.000 1.186 220 S HN 1.503 nan 8.310 nan 0.000 0.499 221 I N -1.377 119.202 120.570 0.014 0.000 3.002 221 I HA 0.790 4.960 4.170 -0.000 0.000 0.310 221 I C -0.513 175.640 176.117 0.059 0.000 1.087 221 I CA -1.108 60.229 61.300 0.062 0.000 1.017 221 I CB 1.298 39.328 38.000 0.050 0.000 1.226 221 I HN 0.746 nan 8.210 nan 0.000 0.443 222 S N 2.104 117.859 115.700 0.091 0.000 2.497 222 S HA 0.670 5.140 4.470 -0.000 0.000 0.176 222 S C 0.097 174.765 174.600 0.112 0.000 1.445 222 S CA -0.344 57.902 58.200 0.077 0.000 1.092 222 S CB -0.935 62.304 63.200 0.065 0.000 1.216 222 S HN 1.136 nan 8.310 nan 0.000 0.486 223 G N 1.945 110.817 108.800 0.121 0.000 2.476 223 G HA2 0.463 4.423 3.960 -0.000 0.000 0.269 223 G HA3 0.463 4.423 3.960 -0.000 0.000 0.269 223 G C -0.100 174.842 174.900 0.069 0.000 1.195 223 G CA -0.520 44.693 45.100 0.190 0.000 0.843 223 G HN 0.697 nan 8.290 nan 0.000 0.545 224 S N 0.262 115.931 115.700 -0.052 0.000 2.541 224 S HA 0.461 4.931 4.470 -0.000 0.000 0.283 224 S C 1.534 176.018 174.600 -0.193 0.000 1.196 224 S CA 0.013 58.063 58.200 -0.251 0.000 1.062 224 S CB 1.662 64.500 63.200 -0.602 0.000 1.009 224 S HN 1.047 nan 8.310 nan 0.000 0.502 225 G N 1.653 110.384 108.800 -0.115 0.000 2.568 225 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.220 225 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.220 225 G C 0.919 175.788 174.900 -0.052 0.000 1.104 225 G CA 1.024 46.092 45.100 -0.053 0.000 0.738 225 G HN 0.656 nan 8.290 nan 0.000 0.574 226 V N 0.309 120.133 119.914 -0.150 0.000 2.273 226 V HA 0.123 4.243 4.120 -0.000 0.000 0.242 226 V C 1.749 177.880 176.094 0.061 0.000 1.035 226 V CA 0.418 62.667 62.300 -0.085 0.000 1.013 226 V CB -0.861 30.852 31.823 -0.182 0.000 0.652 226 V HN 0.323 nan 8.190 nan 0.000 0.452 227 F N 0.523 120.492 119.950 0.031 0.000 2.703 227 F HA 0.318 4.845 4.527 -0.000 0.000 0.324 227 F C 1.014 176.832 175.800 0.030 0.000 1.174 227 F CA 0.717 58.723 58.000 0.010 0.000 1.367 227 F CB -0.085 38.898 39.000 -0.027 0.000 1.065 227 F HN 0.283 nan 8.300 nan 0.000 0.633 228 G N -0.301 108.651 108.800 0.253 0.000 2.759 228 G HA2 0.574 4.534 3.960 -0.000 0.000 0.297 228 G HA3 0.574 4.534 3.960 -0.000 0.000 0.297 228 G C -1.157 173.844 174.900 0.168 0.000 1.434 228 G CA -0.128 45.080 45.100 0.179 0.000 0.980 228 G HN 1.020 nan 8.290 nan 0.000 0.531 229 G N 0.359 109.298 108.800 0.232 0.000 2.340 229 G HA2 0.516 4.476 3.960 -0.000 0.000 0.300 229 G HA3 0.516 4.476 3.960 -0.000 0.000 0.300 229 G C -1.821 173.290 174.900 0.350 0.000 1.488 229 G CA -0.945 44.359 45.100 0.340 0.000 0.878 229 G HN 0.584 nan 8.290 nan 0.000 0.618 230 K N -0.076 120.525 120.400 0.335 0.000 2.464 230 K HA 0.675 4.995 4.320 -0.000 0.000 0.253 230 K C -1.390 175.292 176.600 0.137 0.000 0.933 230 K CA -0.821 55.615 56.287 0.247 0.000 0.801 230 K CB 2.840 35.543 32.500 0.339 0.000 1.271 230 K HN 0.272 nan 8.250 nan 0.000 0.430 231 L N 1.213 122.455 121.223 0.032 0.000 2.334 231 L HA 0.614 4.954 4.340 -0.000 0.000 0.273 231 L C -0.275 176.683 176.870 0.148 0.000 1.013 231 L CA -0.436 54.387 54.840 -0.028 0.000 0.816 231 L CB 1.814 43.746 42.059 -0.212 0.000 1.278 231 L HN 0.836 nan 8.230 nan 0.000 0.431 232 A N 1.736 124.638 122.820 0.137 0.000 2.325 232 A HA 0.939 5.259 4.320 -0.000 0.000 0.333 232 A C -0.883 176.816 177.584 0.191 0.000 1.155 232 A CA -0.316 51.799 52.037 0.129 0.000 0.814 232 A CB 1.317 20.378 19.000 0.102 0.000 1.206 232 A HN 0.777 nan 8.150 nan 0.000 0.482 233 A N 1.375 124.295 122.820 0.167 0.000 2.330 233 A HA 0.728 5.048 4.320 -0.000 0.000 0.313 233 A C -0.870 176.752 177.584 0.065 0.000 1.124 233 A CA -0.416 51.706 52.037 0.141 0.000 0.774 233 A CB 0.320 19.397 19.000 0.128 0.000 1.198 233 A HN 1.558 nan 8.150 nan 0.000 0.465 234 I N 0.190 120.791 120.570 0.052 0.000 2.607 234 I HA 0.520 4.690 4.170 -0.000 0.000 0.290 234 I C -0.667 175.474 176.117 0.041 0.000 1.129 234 I CA -0.958 60.391 61.300 0.082 0.000 1.042 234 I CB 1.536 39.646 38.000 0.184 0.000 1.242 234 I HN 0.128 nan 8.210 nan 0.000 0.421 235 V N 5.607 125.548 119.914 0.044 0.000 2.322 235 V HA 0.313 4.433 4.120 -0.000 0.000 0.258 235 V C 0.537 176.708 176.094 0.129 0.000 1.074 235 V CA -0.747 61.569 62.300 0.026 0.000 0.909 235 V CB 0.537 32.342 31.823 -0.030 0.000 1.090 235 V HN 0.664 nan 8.190 nan 0.000 0.486 236 V N 5.252 125.205 119.914 0.066 0.000 2.470 236 V HA 0.406 4.526 4.120 -0.000 0.000 0.276 236 V C -1.560 174.559 176.094 0.042 0.000 1.040 236 V CA -1.756 60.566 62.300 0.035 0.000 1.008 236 V CB 0.452 32.252 31.823 -0.039 0.000 0.990 236 V HN 0.606 nan 8.190 nan 0.000 0.477 237 P HA 0.267 nan 4.420 nan 0.000 0.271 237 P C -2.501 174.818 177.300 0.031 0.000 1.233 237 P CA -1.316 61.820 63.100 0.060 0.000 0.789 237 P CB -0.064 31.686 31.700 0.083 0.000 0.951 238 P HA -0.036 nan 4.420 nan 0.000 0.271 238 P C 0.912 178.219 177.300 0.012 0.000 1.233 238 P CA 0.848 63.964 63.100 0.026 0.000 0.789 238 P CB -0.202 31.525 31.700 0.044 0.000 0.951 239 G N 0.315 109.116 108.800 0.003 0.000 2.184 239 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.264 239 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.264 239 G C 0.193 175.081 174.900 -0.020 0.000 0.975 239 G CA 0.586 45.681 45.100 -0.008 0.000 0.642 239 G HN 0.804 nan 8.290 nan 0.000 0.536 240 I N -3.146 117.408 120.570 -0.026 0.000 2.785 240 I HA 0.962 5.132 4.170 -0.000 0.000 0.302 240 I C -0.750 175.338 176.117 -0.049 0.000 1.069 240 I CA -1.620 59.653 61.300 -0.044 0.000 1.045 240 I CB 2.355 40.318 38.000 -0.061 0.000 1.236 240 I HN -0.064 nan 8.210 nan 0.000 0.429 241 E N 4.057 124.222 120.200 -0.058 0.000 2.224 241 E HA 0.581 4.931 4.350 -0.000 0.000 0.265 241 E C -2.646 173.915 176.600 -0.066 0.000 0.878 241 E CA -1.954 54.413 56.400 -0.055 0.000 0.759 241 E CB 1.809 31.478 29.700 -0.051 0.000 1.164 241 E HN 0.461 nan 8.360 nan 0.000 0.414 242 P HA 0.107 nan 4.420 nan 0.000 0.265 242 P C -0.744 176.524 177.300 -0.054 0.000 1.193 242 P CA -0.041 63.017 63.100 -0.070 0.000 0.765 242 P CB 0.339 32.006 31.700 -0.054 0.000 0.823 243 I N 1.681 122.216 120.570 -0.058 0.000 2.525 243 I HA 0.230 4.400 4.170 -0.000 0.000 0.301 243 I C 0.962 177.060 176.117 -0.032 0.000 0.992 243 I CA -0.787 60.487 61.300 -0.042 0.000 1.162 243 I CB 1.030 39.004 38.000 -0.044 0.000 1.332 243 I HN 0.355 nan 8.210 nan 0.000 0.458 244 Q N 1.887 121.676 119.800 -0.019 0.000 2.319 244 Q HA 0.066 4.406 4.340 -0.000 0.000 0.217 244 Q C 0.440 176.434 176.000 -0.010 0.000 0.924 244 Q CA 0.092 55.889 55.803 -0.010 0.000 0.964 244 Q CB 0.255 28.994 28.738 0.002 0.000 1.025 244 Q HN 0.638 nan 8.270 nan 0.000 0.465 245 S N -1.404 114.285 115.700 -0.018 0.000 2.758 245 S HA 0.226 4.696 4.470 -0.000 0.000 0.292 245 S C 1.168 175.758 174.600 -0.017 0.000 1.131 245 S CA -0.286 57.904 58.200 -0.017 0.000 0.997 245 S CB 1.630 64.817 63.200 -0.021 0.000 1.111 245 S HN 0.313 nan 8.310 nan 0.000 0.552 246 T N 0.776 115.320 114.554 -0.017 0.000 2.770 246 T HA -0.087 4.263 4.350 -0.000 0.000 0.258 246 T C 2.017 176.705 174.700 -0.019 0.000 1.039 246 T CA 2.259 64.348 62.100 -0.019 0.000 1.143 246 T CB -1.205 67.648 68.868 -0.023 0.000 0.866 246 T HN 0.788 nan 8.240 nan 0.000 0.428 247 S N 2.008 117.697 115.700 -0.018 0.000 2.443 247 S HA -0.252 4.218 4.470 -0.000 0.000 0.246 247 S C 2.092 176.680 174.600 -0.021 0.000 1.058 247 S CA 1.613 59.805 58.200 -0.015 0.000 1.028 247 S CB -0.910 62.280 63.200 -0.018 0.000 0.821 247 S HN 0.410 nan 8.310 nan 0.000 0.484 248 M N 1.247 120.824 119.600 -0.038 0.000 2.144 248 M HA -0.011 4.469 4.480 -0.000 0.000 0.260 248 M C 2.058 178.345 176.300 -0.021 0.000 1.067 248 M CA 1.288 56.550 55.300 -0.062 0.000 1.095 248 M CB -1.369 31.198 32.600 -0.056 0.000 1.365 248 M HN 0.424 nan 8.290 nan 0.000 0.406 249 L N -0.729 120.482 121.223 -0.020 0.000 2.376 249 L HA -0.148 4.192 4.340 -0.000 0.000 0.219 249 L C 1.155 178.008 176.870 -0.028 0.000 1.133 249 L CA 0.417 55.214 54.840 -0.072 0.000 0.816 249 L CB -0.481 41.537 42.059 -0.068 0.000 0.933 249 L HN 0.341 nan 8.230 nan 0.000 0.449 250 Q N -0.224 119.607 119.800 0.051 0.000 2.600 250 Q HA 0.057 4.397 4.340 -0.000 0.000 0.276 250 Q C -1.033 175.087 176.000 0.201 0.000 1.006 250 Q CA 0.111 55.973 55.803 0.099 0.000 0.942 250 Q CB -0.158 28.625 28.738 0.073 0.000 1.383 250 Q HN 0.239 nan 8.270 nan 0.000 0.414 251 Y N 0.519 120.839 120.300 0.033 0.000 2.534 251 Y HA 0.334 4.884 4.550 -0.000 0.000 0.345 251 Y C -2.482 173.507 175.900 0.148 0.000 1.031 251 Y CA -2.862 55.273 58.100 0.057 0.000 1.022 251 Y CB 1.734 40.209 38.460 0.024 0.000 1.292 251 Y HN 0.040 nan 8.280 nan 0.000 0.459 252 P HA 0.056 nan 4.420 nan 0.000 0.260 252 P C -1.092 176.246 177.300 0.064 0.000 1.185 252 P CA 1.024 64.072 63.100 -0.086 0.000 0.763 252 P CB 0.280 31.812 31.700 -0.280 0.000 0.776 253 H N 1.024 120.056 119.070 -0.063 0.000 2.931 253 H HA 0.593 5.149 4.556 -0.000 0.000 0.331 253 H C -1.424 173.849 175.328 -0.091 0.000 1.273 253 H CA -1.321 54.696 56.048 -0.053 0.000 1.171 253 H CB 1.027 30.778 29.762 -0.018 0.000 1.898 253 H HN 0.099 nan 8.280 nan 0.000 0.562 254 V N 2.358 122.221 119.914 -0.085 0.000 2.409 254 V HA 0.162 4.282 4.120 -0.000 0.000 0.290 254 V C -0.086 175.951 176.094 -0.096 0.000 1.017 254 V CA -0.683 61.528 62.300 -0.149 0.000 0.841 254 V CB 0.886 32.659 31.823 -0.083 0.000 1.003 254 V HN 0.432 nan 8.190 nan 0.000 0.426 255 L N 4.653 125.773 121.223 -0.172 0.000 2.473 255 L HA 0.388 4.728 4.340 -0.000 0.000 0.268 255 L C -0.340 176.560 176.870 0.049 0.000 1.215 255 L CA 0.857 55.632 54.840 -0.109 0.000 0.823 255 L CB 0.104 42.070 42.059 -0.156 0.000 1.099 255 L HN 0.576 nan 8.230 nan 0.000 0.483 256 F N 1.451 121.368 119.950 -0.055 0.000 2.607 256 F HA 0.238 4.765 4.527 -0.000 0.000 0.322 256 F C -0.616 175.195 175.800 0.018 0.000 1.176 256 F CA -1.077 56.907 58.000 -0.027 0.000 0.977 256 F CB 1.507 40.487 39.000 -0.033 0.000 1.242 256 F HN 0.456 nan 8.300 nan 0.000 0.465 257 D N 3.627 124.269 120.400 0.403 0.000 2.193 257 D HA 0.379 5.019 4.640 -0.000 0.000 0.249 257 D C 0.575 176.873 176.300 -0.003 0.000 1.034 257 D CA 0.126 54.218 54.000 0.153 0.000 0.902 257 D CB 2.356 43.257 40.800 0.168 0.000 1.182 257 D HN 0.695 nan 8.370 nan 0.000 0.436 258 A N 4.145 127.023 122.820 0.097 0.000 2.015 258 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 258 A C 2.046 179.699 177.584 0.115 0.000 1.163 258 A CA 0.981 53.103 52.037 0.143 0.000 0.646 258 A CB -0.084 19.103 19.000 0.312 0.000 0.806 258 A HN 0.631 nan 8.150 nan 0.000 0.448 259 R N -0.181 120.387 120.500 0.112 0.000 2.062 259 R HA -0.013 4.327 4.340 -0.000 0.000 0.229 259 R C 0.312 176.652 176.300 0.067 0.000 1.128 259 R CA 0.472 56.624 56.100 0.088 0.000 0.960 259 R CB -0.281 30.069 30.300 0.083 0.000 0.855 259 R HN 0.604 nan 8.270 nan 0.000 0.432 260 Q N 1.436 121.284 119.800 0.081 0.000 2.841 260 Q HA -0.103 4.237 4.340 -0.000 0.000 0.330 260 Q C 0.848 176.886 176.000 0.064 0.000 1.136 260 Q CA -0.230 55.628 55.803 0.092 0.000 1.129 260 Q CB 0.449 29.300 28.738 0.188 0.000 0.992 260 Q HN 0.150 nan 8.270 nan 0.000 0.411 261 V N 1.849 121.788 119.914 0.041 0.000 2.719 261 V HA -0.136 3.984 4.120 -0.000 0.000 0.252 261 V C 0.859 176.962 176.094 0.014 0.000 1.065 261 V CA 1.095 63.409 62.300 0.024 0.000 1.086 261 V CB -0.103 31.729 31.823 0.014 0.000 0.700 261 V HN 0.650 nan 8.190 nan 0.000 0.467 262 E N 2.493 122.702 120.200 0.015 0.000 2.351 262 E HA 0.095 4.445 4.350 -0.000 0.000 0.266 262 E C -2.241 174.345 176.600 -0.022 0.000 1.031 262 E CA -2.045 54.348 56.400 -0.012 0.000 0.911 262 E CB 0.487 30.175 29.700 -0.020 0.000 0.986 262 E HN 0.284 nan 8.360 nan 0.000 0.446 263 P HA 0.002 nan 4.420 nan 0.000 0.276 263 P C -0.504 176.654 177.300 -0.236 0.000 1.235 263 P CA -0.313 62.714 63.100 -0.121 0.000 0.772 263 P CB 1.215 32.830 31.700 -0.141 0.000 0.871 264 V N 5.237 124.927 119.914 -0.373 0.000 2.732 264 V HA 0.241 4.361 4.120 -0.000 0.000 0.297 264 V C -0.058 175.588 176.094 -0.747 0.000 1.060 264 V CA -0.179 61.734 62.300 -0.646 0.000 1.038 264 V CB 0.220 31.395 31.823 -1.079 0.000 1.003 264 V HN 0.319 nan 8.190 nan 0.000 0.481 265 I N 7.994 128.186 120.570 -0.629 0.000 2.560 265 I HA 0.452 4.622 4.170 -0.000 0.000 0.278 265 I C -0.628 175.330 176.117 -0.265 0.000 1.089 265 I CA -0.144 60.902 61.300 -0.423 0.000 1.086 265 I CB 0.928 38.837 38.000 -0.151 0.000 1.202 265 I HN 0.498 nan 8.210 nan 0.000 0.471 266 F N 1.497 121.440 119.950 -0.011 0.000 2.661 266 F HA 0.989 5.516 4.527 -0.000 0.000 0.347 266 F C 0.262 176.087 175.800 0.043 0.000 1.086 266 F CA -1.815 56.184 58.000 -0.002 0.000 1.016 266 F CB 0.335 39.310 39.000 -0.041 0.000 1.368 266 F HN 0.261 nan 8.300 nan 0.000 0.505 267 T N -1.333 113.420 114.554 0.331 0.000 2.912 267 T HA 0.726 5.076 4.350 -0.000 0.000 0.288 267 T C -0.539 174.207 174.700 0.077 0.000 1.030 267 T CA -0.576 61.633 62.100 0.182 0.000 1.020 267 T CB 1.738 70.678 68.868 0.120 0.000 1.056 267 T HN 0.619 nan 8.240 nan 0.000 0.480 268 I N 3.711 124.313 120.570 0.054 0.000 2.316 268 I HA 0.260 4.429 4.170 -0.000 0.000 0.286 268 I C -2.062 174.078 176.117 0.038 0.000 1.107 268 I CA -2.432 58.874 61.300 0.010 0.000 1.219 268 I CB 0.934 38.931 38.000 -0.004 0.000 1.455 268 I HN 0.399 nan 8.210 nan 0.000 0.498 269 P HA -0.020 nan 4.420 nan 0.000 0.268 269 P C -0.708 176.646 177.300 0.090 0.000 1.204 269 P CA -0.055 63.085 63.100 0.066 0.000 0.768 269 P CB 0.925 32.652 31.700 0.045 0.000 0.842 270 D N 3.550 124.030 120.400 0.134 0.000 2.339 270 D HA 0.238 4.878 4.640 -0.000 0.000 0.241 270 D C -0.532 175.849 176.300 0.135 0.000 1.183 270 D CA -0.269 53.836 54.000 0.176 0.000 0.859 270 D CB -0.220 40.745 40.800 0.276 0.000 1.067 270 D HN 0.198 nan 8.370 nan 0.000 0.484 271 L N 4.758 126.052 121.223 0.118 0.000 2.295 271 L HA 0.608 4.948 4.340 -0.000 0.000 0.285 271 L C 0.430 177.362 176.870 0.104 0.000 1.035 271 L CA -0.927 53.962 54.840 0.081 0.000 0.806 271 L CB 1.191 43.286 42.059 0.060 0.000 1.214 271 L HN 0.444 nan 8.230 nan 0.000 0.426 272 R N 0.831 121.358 120.500 0.045 0.000 2.837 272 R HA 0.613 4.953 4.340 -0.000 0.000 0.271 272 R C -0.211 176.042 176.300 -0.079 0.000 0.993 272 R CA -0.836 55.258 56.100 -0.009 0.000 0.931 272 R CB 1.565 31.758 30.300 -0.180 0.000 1.206 272 R HN 0.363 nan 8.270 nan 0.000 0.474 273 S N 0.090 115.726 115.700 -0.107 0.000 2.356 273 S HA -0.077 4.393 4.470 -0.000 0.000 0.219 273 S C 1.086 175.583 174.600 -0.172 0.000 1.036 273 S CA 1.107 59.242 58.200 -0.108 0.000 0.965 273 S CB -0.161 62.988 63.200 -0.086 0.000 0.864 273 S HN 0.840 nan 8.310 nan 0.000 0.471 274 T N 0.367 114.755 114.554 -0.277 0.000 2.801 274 T HA 0.383 4.733 4.350 -0.000 0.000 0.324 274 T C 1.236 175.725 174.700 -0.352 0.000 1.088 274 T CA -0.391 61.501 62.100 -0.347 0.000 0.975 274 T CB 0.048 68.623 68.868 -0.488 0.000 1.316 274 T HN 0.093 nan 8.240 nan 0.000 0.533 275 L N -0.816 120.176 121.223 -0.385 0.000 2.189 275 L HA 0.295 4.635 4.340 -0.000 0.000 0.199 275 L C 0.348 177.067 176.870 -0.252 0.000 1.074 275 L CA 0.079 54.772 54.840 -0.245 0.000 0.783 275 L CB -0.245 41.740 42.059 -0.122 0.000 0.955 275 L HN 0.780 nan 8.230 nan 0.000 0.460 276 Y N -2.590 117.504 120.300 -0.344 0.000 2.409 276 Y HA 0.513 5.063 4.550 -0.000 0.000 0.343 276 Y C -0.324 175.292 175.900 -0.474 0.000 0.973 276 Y CA -1.419 56.452 58.100 -0.382 0.000 1.064 276 Y CB 0.281 38.555 38.460 -0.311 0.000 1.207 276 Y HN -0.066 nan 8.280 nan 0.000 0.452 277 H N 4.830 123.603 119.070 -0.495 0.000 2.878 277 H HA 0.163 4.719 4.556 -0.000 0.000 0.290 277 H C -0.175 174.905 175.328 -0.414 0.000 1.065 277 H CA -0.081 55.542 56.048 -0.708 0.000 1.477 277 H CB 1.266 30.073 29.762 -1.591 0.000 1.484 277 H HN 0.829 nan 8.280 nan 0.000 0.504 278 L N 3.857 125.064 121.223 -0.028 0.000 2.499 278 L HA -0.139 4.201 4.340 -0.000 0.000 0.273 278 L C 1.741 178.751 176.870 0.233 0.000 1.195 278 L CA -0.336 54.581 54.840 0.129 0.000 0.882 278 L CB 0.497 42.615 42.059 0.098 0.000 1.133 278 L HN 0.645 nan 8.230 nan 0.000 0.483 279 M N 2.864 122.656 119.600 0.320 0.000 2.146 279 M HA -0.295 4.185 4.480 -0.000 0.000 0.251 279 M C 2.083 178.574 176.300 0.318 0.000 1.083 279 M CA 2.637 58.176 55.300 0.398 0.000 1.076 279 M CB -0.495 32.281 32.600 0.294 0.000 1.332 279 M HN 0.822 nan 8.290 nan 0.000 0.400 280 S N -1.837 113.991 115.700 0.213 0.000 2.496 280 S HA 0.023 4.493 4.470 -0.000 0.000 0.224 280 S C 0.477 175.151 174.600 0.124 0.000 0.996 280 S CA -0.052 58.234 58.200 0.144 0.000 0.927 280 S CB -0.687 62.569 63.200 0.092 0.000 0.774 280 S HN 0.444 nan 8.310 nan 0.000 0.524 281 D N 3.664 124.152 120.400 0.148 0.000 2.659 281 D HA -0.020 4.620 4.640 -0.000 0.000 0.264 281 D C 0.973 177.339 176.300 0.110 0.000 1.329 281 D CA 0.891 54.960 54.000 0.115 0.000 0.963 281 D CB 0.642 41.542 40.800 0.167 0.000 1.136 281 D HN 0.600 nan 8.370 nan 0.000 0.554 282 T N -1.000 113.589 114.554 0.058 0.000 3.144 282 T HA -0.022 4.328 4.350 -0.000 0.000 0.249 282 T C 0.469 175.186 174.700 0.028 0.000 1.089 282 T CA -0.498 61.628 62.100 0.044 0.000 0.989 282 T CB 0.278 69.163 68.868 0.028 0.000 0.992 282 T HN 0.101 nan 8.240 nan 0.000 0.540 283 D N 2.436 122.853 120.400 0.029 0.000 2.479 283 D HA 0.376 5.016 4.640 -0.000 0.000 0.247 283 D C 0.057 176.374 176.300 0.029 0.000 1.119 283 D CA -0.289 53.724 54.000 0.021 0.000 0.922 283 D CB 0.605 41.414 40.800 0.015 0.000 1.014 283 D HN 0.437 nan 8.370 nan 0.000 0.510 284 T N -0.969 113.596 114.554 0.018 0.000 2.716 284 T HA 0.526 4.876 4.350 -0.000 0.000 0.286 284 T C 0.330 175.050 174.700 0.033 0.000 1.052 284 T CA -0.749 61.361 62.100 0.016 0.000 1.024 284 T CB 0.829 69.686 68.868 -0.018 0.000 1.349 284 T HN 0.058 nan 8.240 nan 0.000 0.525 285 T N 2.074 116.661 114.554 0.055 0.000 2.856 285 T HA 0.480 4.830 4.350 -0.000 0.000 0.329 285 T C -0.144 174.569 174.700 0.022 0.000 1.094 285 T CA -0.133 61.996 62.100 0.048 0.000 1.112 285 T CB 0.006 68.914 68.868 0.066 0.000 1.009 285 T HN 0.789 nan 8.240 nan 0.000 0.550 286 S N 0.447 116.153 115.700 0.010 0.000 2.565 286 S HA 0.623 5.093 4.470 -0.000 0.000 0.269 286 S C -1.487 173.104 174.600 -0.016 0.000 1.153 286 S CA -0.905 57.289 58.200 -0.010 0.000 0.835 286 S CB 1.663 64.856 63.200 -0.012 0.000 1.122 286 S HN 0.707 nan 8.310 nan 0.000 0.462 287 L N 1.337 122.542 121.223 -0.030 0.000 2.370 287 L HA 1.006 5.346 4.340 -0.000 0.000 0.266 287 L C -1.549 175.320 176.870 -0.001 0.000 1.002 287 L CA -0.433 54.387 54.840 -0.034 0.000 0.818 287 L CB 1.768 43.787 42.059 -0.067 0.000 1.325 287 L HN 0.546 nan 8.230 nan 0.000 0.418 288 V N 3.350 123.285 119.914 0.035 0.000 3.188 288 V HA 0.611 4.731 4.120 -0.000 0.000 0.305 288 V C -1.111 175.085 176.094 0.171 0.000 1.232 288 V CA -0.466 61.893 62.300 0.097 0.000 1.043 288 V CB 2.023 33.877 31.823 0.052 0.000 1.068 288 V HN 0.685 nan 8.190 nan 0.000 0.439 289 I N 2.561 123.285 120.570 0.256 0.000 2.498 289 I HA 0.703 4.873 4.170 -0.000 0.000 0.290 289 I C -0.431 175.757 176.117 0.120 0.000 1.032 289 I CA -0.283 61.191 61.300 0.290 0.000 1.073 289 I CB 1.797 40.151 38.000 0.591 0.000 1.251 289 I HN 0.738 nan 8.210 nan 0.000 0.426 290 M N 7.142 126.793 119.600 0.084 0.000 2.386 290 M HA 0.605 5.085 4.480 -0.000 0.000 0.293 290 M C -1.048 175.254 176.300 0.003 0.000 1.120 290 M CA -0.784 54.529 55.300 0.021 0.000 0.909 290 M CB 2.025 34.649 32.600 0.040 0.000 1.661 290 M HN 0.515 nan 8.290 nan 0.000 0.452 291 I N 2.645 123.177 120.570 -0.063 0.000 2.573 291 I HA 0.042 4.212 4.170 -0.000 0.000 0.295 291 I C 0.066 176.235 176.117 0.088 0.000 1.141 291 I CA -0.354 60.897 61.300 -0.081 0.000 1.364 291 I CB -0.303 37.661 38.000 -0.060 0.000 1.447 291 I HN 0.819 nan 8.210 nan 0.000 0.571 292 Y N 6.517 126.805 120.300 -0.020 0.000 2.036 292 Y HA -0.123 4.427 4.550 -0.000 0.000 0.273 292 Y C 0.861 176.800 175.900 0.064 0.000 1.135 292 Y CA 1.646 59.764 58.100 0.031 0.000 1.106 292 Y CB 0.037 38.540 38.460 0.072 0.000 0.976 292 Y HN 0.628 nan 8.280 nan 0.000 0.483 293 N N 1.083 119.897 118.700 0.190 0.000 2.372 293 N HA 0.135 4.875 4.740 -0.000 0.000 0.291 293 N C -1.216 174.437 175.510 0.239 0.000 1.024 293 N CA -0.512 52.610 53.050 0.121 0.000 0.873 293 N CB 0.791 39.368 38.487 0.149 0.000 1.206 293 N HN 0.141 nan 8.380 nan 0.000 0.486 294 D N 0.419 120.924 120.400 0.176 0.000 2.351 294 D HA -0.126 4.514 4.640 -0.000 0.000 0.232 294 D C -0.073 176.363 176.300 0.227 0.000 1.275 294 D CA 0.428 54.556 54.000 0.214 0.000 0.882 294 D CB 0.732 41.587 40.800 0.091 0.000 1.221 294 D HN 0.210 nan 8.370 nan 0.000 0.485 295 L N 1.974 123.218 121.223 0.036 0.000 2.262 295 L HA 0.279 4.619 4.340 -0.000 0.000 0.288 295 L C -0.560 176.153 176.870 -0.262 0.000 1.035 295 L CA -0.603 54.039 54.840 -0.330 0.000 0.820 295 L CB 0.308 41.702 42.059 -1.109 0.000 1.204 295 L HN 0.197 nan 8.230 nan 0.000 0.424 296 I N 2.210 122.694 120.570 -0.144 0.000 2.488 296 I HA 0.555 4.725 4.170 -0.000 0.000 0.299 296 I C -0.331 175.763 176.117 -0.038 0.000 0.984 296 I CA -0.437 60.822 61.300 -0.069 0.000 1.250 296 I CB 1.403 39.410 38.000 0.011 0.000 1.389 296 I HN 0.722 nan 8.210 nan 0.000 0.488 297 N N 4.110 122.823 118.700 0.021 0.000 2.454 297 N HA 0.422 5.162 4.740 -0.000 0.000 0.291 297 N C -2.275 173.341 175.510 0.176 0.000 1.079 297 N CA -1.462 51.694 53.050 0.175 0.000 0.893 297 N CB 2.176 40.749 38.487 0.143 0.000 1.512 297 N HN 0.372 nan 8.380 nan 0.000 0.497 298 P HA -0.121 nan 4.420 nan 0.000 0.223 298 P C -0.794 176.329 177.300 -0.295 0.000 1.140 298 P CA 1.263 64.303 63.100 -0.100 0.000 0.783 298 P CB -0.038 31.519 31.700 -0.238 0.000 0.759 299 Y N -2.087 118.239 120.300 0.043 0.000 2.553 299 Y HA 0.587 5.137 4.550 -0.000 0.000 0.369 299 Y C 1.309 177.220 175.900 0.019 0.000 0.964 299 Y CA -1.477 56.639 58.100 0.027 0.000 1.156 299 Y CB -0.780 37.697 38.460 0.029 0.000 1.218 299 Y HN -0.108 nan 8.280 nan 0.000 0.630 300 A N 1.059 123.945 122.820 0.109 0.000 3.335 300 A HA 0.040 4.360 4.320 -0.000 0.000 0.166 300 A C 1.005 178.623 177.584 0.056 0.000 0.723 300 A CA 1.565 53.640 52.037 0.062 0.000 1.243 300 A CB -0.409 18.604 19.000 0.022 0.000 0.875 300 A HN 0.724 nan 8.150 nan 0.000 0.508 301 N N -1.826 116.892 118.700 0.030 0.000 1.765 301 N HA -0.132 4.608 4.740 -0.000 0.000 0.205 301 N C -0.623 174.895 175.510 0.013 0.000 0.905 301 N CA 0.744 53.808 53.050 0.023 0.000 1.142 301 N CB -1.440 37.067 38.487 0.034 0.000 1.533 301 N HN 0.929 nan 8.380 nan 0.000 0.461 302 D N 1.445 121.853 120.400 0.013 0.000 2.414 302 D HA 0.402 5.042 4.640 -0.000 0.000 0.259 302 D C 0.522 176.824 176.300 0.004 0.000 1.269 302 D CA 1.117 55.121 54.000 0.007 0.000 1.028 302 D CB 0.381 41.185 40.800 0.007 0.000 1.093 302 D HN 0.946 nan 8.370 nan 0.000 0.545 303 S N -0.591 115.109 115.700 0.001 0.000 2.853 303 S HA -0.313 4.157 4.470 -0.000 0.000 0.636 303 S C 0.346 174.941 174.600 -0.008 0.000 3.113 303 S CA 0.344 58.543 58.200 -0.002 0.000 3.314 303 S CB -1.286 61.914 63.200 0.000 0.000 0.332 303 S HN 0.836 nan 8.310 nan 0.000 1.797 304 N N 2.109 120.803 118.700 -0.010 0.000 2.892 304 N HA 0.099 4.839 4.740 -0.000 0.000 0.300 304 N C 1.756 177.250 175.510 -0.026 0.000 1.211 304 N CA 0.800 53.839 53.050 -0.019 0.000 1.158 304 N CB -0.586 37.893 38.487 -0.012 0.000 1.455 304 N HN 0.836 nan 8.380 nan 0.000 0.524 305 S N 1.745 117.430 115.700 -0.026 0.000 2.343 305 S HA -0.309 4.161 4.470 -0.000 0.000 0.324 305 S C 1.093 175.674 174.600 -0.031 0.000 1.144 305 S CA 2.032 60.218 58.200 -0.023 0.000 1.548 305 S CB -0.682 62.497 63.200 -0.034 0.000 1.368 305 S HN 0.677 nan 8.310 nan 0.000 0.477 306 S N -0.835 114.819 115.700 -0.076 0.000 3.813 306 S HA 0.672 5.142 4.470 -0.000 0.000 0.309 306 S C 0.077 174.582 174.600 -0.159 0.000 1.136 306 S CA -0.085 58.065 58.200 -0.083 0.000 1.190 306 S CB 0.802 63.974 63.200 -0.048 0.000 1.582 306 S HN 2.329 nan 8.310 nan 0.000 0.647 307 G N 0.259 108.925 108.800 -0.223 0.000 3.088 307 G HA2 0.383 4.343 3.960 -0.000 0.000 0.620 307 G HA3 0.383 4.343 3.960 -0.000 0.000 0.620 307 G C -0.237 174.585 174.900 -0.130 0.000 1.375 307 G CA -0.472 44.449 45.100 -0.299 0.000 1.016 307 G HN 1.905 nan 8.290 nan 0.000 0.590 308 C N 2.119 121.348 119.300 -0.119 0.000 2.347 308 C HA 0.939 5.399 4.460 -0.000 0.000 0.366 308 C C 1.110 176.173 174.990 0.121 0.000 1.241 308 C CA -0.652 58.397 59.018 0.053 0.000 2.360 308 C CB 0.140 27.955 27.740 0.125 0.000 2.290 308 C HN 1.583 nan 8.230 nan 0.000 0.587 309 I N 0.143 120.797 120.570 0.141 0.000 2.934 309 I HA 0.851 5.021 4.170 -0.000 0.000 0.315 309 I C -0.484 175.759 176.117 0.210 0.000 0.997 309 I CA -0.590 60.814 61.300 0.173 0.000 1.184 309 I CB 0.923 39.005 38.000 0.137 0.000 1.400 309 I HN 0.565 nan 8.210 nan 0.000 0.549 310 V N 1.633 121.692 119.914 0.242 0.000 2.733 310 V HA 0.549 4.669 4.120 -0.000 0.000 0.306 310 V C 0.041 176.323 176.094 0.313 0.000 1.084 310 V CA -0.171 62.294 62.300 0.275 0.000 0.905 310 V CB 1.692 33.720 31.823 0.341 0.000 1.010 310 V HN 1.124 nan 8.190 nan 0.000 0.424 311 T N 1.176 115.903 114.554 0.289 0.000 2.923 311 T HA 0.873 5.223 4.350 -0.000 0.000 0.281 311 T C -0.718 174.127 174.700 0.242 0.000 0.995 311 T CA -0.860 61.449 62.100 0.349 0.000 0.985 311 T CB 2.042 71.119 68.868 0.349 0.000 1.114 311 T HN 0.506 nan 8.240 nan 0.000 0.548 312 V N 1.440 121.441 119.914 0.144 0.000 2.624 312 V HA 0.364 4.484 4.120 -0.000 0.000 0.294 312 V C -0.645 175.374 176.094 -0.125 0.000 1.077 312 V CA -0.814 61.391 62.300 -0.160 0.000 0.905 312 V CB 1.536 32.950 31.823 -0.683 0.000 1.025 312 V HN 1.030 nan 8.190 nan 0.000 0.440 313 E N 1.528 121.721 120.200 -0.012 0.000 2.254 313 E HA 0.791 5.141 4.350 -0.000 0.000 0.258 313 E C -0.489 176.197 176.600 0.143 0.000 1.033 313 E CA -0.734 55.709 56.400 0.071 0.000 0.893 313 E CB 2.246 31.966 29.700 0.034 0.000 1.204 313 E HN 0.555 nan 8.360 nan 0.000 0.425 314 T N 0.221 114.955 114.554 0.300 0.000 2.956 314 T HA 0.391 4.741 4.350 -0.000 0.000 0.312 314 T C -1.852 172.880 174.700 0.054 0.000 1.151 314 T CA -0.856 61.388 62.100 0.239 0.000 1.024 314 T CB 1.050 69.959 68.868 0.068 0.000 1.140 314 T HN 0.442 nan 8.240 nan 0.000 0.473 315 K N 4.849 125.145 120.400 -0.172 0.000 2.513 315 K HA 0.532 4.851 4.320 -0.000 0.000 0.251 315 K C -2.891 173.538 176.600 -0.286 0.000 0.939 315 K CA -2.191 53.801 56.287 -0.492 0.000 0.793 315 K CB 2.261 34.031 32.500 -1.217 0.000 1.241 315 K HN 0.339 nan 8.250 nan 0.000 0.431 316 P HA 0.016 nan 4.420 nan 0.000 0.262 316 P C 0.265 177.507 177.300 -0.098 0.000 1.199 316 P CA 0.214 63.197 63.100 -0.194 0.000 0.763 316 P CB 0.656 32.373 31.700 0.028 0.000 0.790 317 G N 5.618 114.362 108.800 -0.094 0.000 2.720 317 G HA2 0.043 4.003 3.960 -0.000 0.000 0.237 317 G HA3 0.043 4.003 3.960 -0.000 0.000 0.237 317 G C -1.042 173.918 174.900 0.101 0.000 1.239 317 G CA -0.890 44.221 45.100 0.019 0.000 0.847 317 G HN 0.358 nan 8.290 nan 0.000 0.593 318 P HA -0.093 nan 4.420 nan 0.000 0.214 318 P C 1.083 178.453 177.300 0.117 0.000 1.162 318 P CA 1.511 64.657 63.100 0.076 0.000 0.874 318 P CB 0.047 31.774 31.700 0.044 0.000 0.784 319 D N -0.695 119.780 120.400 0.126 0.000 2.371 319 D HA -0.126 4.514 4.640 -0.000 0.000 0.234 319 D C 0.019 176.441 176.300 0.204 0.000 1.049 319 D CA -0.272 53.807 54.000 0.133 0.000 0.907 319 D CB -1.166 39.705 40.800 0.117 0.000 0.891 319 D HN 0.147 nan 8.370 nan 0.000 0.531 320 F N 1.636 121.627 119.950 0.067 0.000 2.405 320 F HA 0.414 4.941 4.527 -0.000 0.000 0.355 320 F C -0.245 175.611 175.800 0.093 0.000 1.121 320 F CA -0.626 57.426 58.000 0.088 0.000 1.112 320 F CB 0.681 39.724 39.000 0.073 0.000 1.126 320 F HN -0.304 nan 8.300 nan 0.000 0.481 321 K N 5.660 125.822 120.400 -0.397 0.000 2.527 321 K HA 0.295 4.615 4.320 -0.000 0.000 0.260 321 K C -0.861 175.491 176.600 -0.413 0.000 0.937 321 K CA -0.711 55.393 56.287 -0.304 0.000 0.826 321 K CB 2.041 34.458 32.500 -0.139 0.000 1.359 321 K HN 0.383 nan 8.250 nan 0.000 0.434 322 F N 0.469 120.143 119.950 -0.460 0.000 2.192 322 F HA 0.147 4.674 4.527 -0.000 0.000 0.187 322 F C 1.867 177.615 175.800 -0.087 0.000 0.671 322 F CA 1.063 58.888 58.000 -0.290 0.000 1.101 322 F CB -0.041 38.609 39.000 -0.584 0.000 2.219 322 F HN 0.841 nan 8.300 nan 0.000 0.677 323 H N -3.129 116.155 119.070 0.357 0.000 1.802 323 H HA 0.262 4.818 4.556 -0.000 0.000 0.115 323 H C -0.890 174.542 175.328 0.173 0.000 1.253 323 H CA -0.348 55.812 56.048 0.188 0.000 0.500 323 H CB -0.093 29.671 29.762 0.002 0.000 0.330 323 H HN 0.003 nan 8.280 nan 0.000 0.208 324 L N 2.962 124.373 121.223 0.314 0.000 2.264 324 L HA 0.269 4.609 4.340 -0.000 0.000 0.289 324 L C -0.920 175.996 176.870 0.077 0.000 1.044 324 L CA -0.785 54.124 54.840 0.115 0.000 0.807 324 L CB 1.522 43.573 42.059 -0.013 0.000 1.192 324 L HN 0.189 nan 8.230 nan 0.000 0.425 325 L N 5.966 127.120 121.223 -0.114 0.000 2.268 325 L HA 0.263 4.603 4.340 -0.000 0.000 0.289 325 L C 0.187 176.937 176.870 -0.199 0.000 1.064 325 L CA 0.088 54.709 54.840 -0.365 0.000 0.824 325 L CB 0.548 42.373 42.059 -0.390 0.000 1.202 325 L HN 0.459 nan 8.230 nan 0.000 0.433 326 K N 7.247 127.551 120.400 -0.160 0.000 2.237 326 K HA 0.416 4.736 4.320 -0.000 0.000 0.270 326 K C -2.425 174.119 176.600 -0.092 0.000 1.015 326 K CA -1.405 54.835 56.287 -0.078 0.000 0.949 326 K CB 0.799 33.286 32.500 -0.021 0.000 0.976 326 K HN 0.479 nan 8.250 nan 0.000 0.472 327 P HA 0.265 nan 4.420 nan 0.000 0.292 327 P C -2.704 174.571 177.300 -0.043 0.000 1.287 327 P CA -1.888 61.179 63.100 -0.055 0.000 0.800 327 P CB 0.709 32.383 31.700 -0.042 0.000 0.945 328 P HA 0.019 nan 4.420 nan 0.000 0.261 328 P C 1.204 178.489 177.300 -0.024 0.000 1.173 328 P CA 1.406 64.487 63.100 -0.031 0.000 0.760 328 P CB -0.127 31.555 31.700 -0.029 0.000 0.783 329 G N 1.853 110.641 108.800 -0.020 0.000 2.299 329 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.237 329 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.237 329 G C 0.699 175.588 174.900 -0.018 0.000 1.027 329 G CA 0.270 45.360 45.100 -0.017 0.000 0.619 329 G HN 0.787 nan 8.290 nan 0.000 0.513 330 S N 0.033 115.721 115.700 -0.019 0.000 2.569 330 S HA 0.452 4.922 4.470 -0.000 0.000 0.274 330 S C 0.446 175.035 174.600 -0.018 0.000 1.353 330 S CA 0.856 59.045 58.200 -0.019 0.000 1.023 330 S CB 0.469 63.658 63.200 -0.020 0.000 0.876 330 S HN 0.790 nan 8.310 nan 0.000 0.540 331 M N 4.633 124.221 119.600 -0.021 0.000 2.149 331 M HA 0.445 4.925 4.480 -0.000 0.000 0.342 331 M C -0.888 175.395 176.300 -0.029 0.000 1.068 331 M CA -0.587 54.699 55.300 -0.025 0.000 0.991 331 M CB 0.886 33.470 32.600 -0.027 0.000 1.596 331 M HN 0.697 nan 8.290 nan 0.000 0.439 332 L N 3.846 125.055 121.223 -0.023 0.000 2.455 332 L HA 0.122 4.462 4.340 -0.000 0.000 0.272 332 L C 1.225 178.058 176.870 -0.062 0.000 1.174 332 L CA 0.249 55.077 54.840 -0.019 0.000 0.869 332 L CB 1.000 43.071 42.059 0.020 0.000 1.130 332 L HN 0.985 nan 8.230 nan 0.000 0.474 333 T N 3.220 117.694 114.554 -0.133 0.000 3.025 333 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 333 T C 1.214 175.681 174.700 -0.388 0.000 1.126 333 T CA 1.485 63.421 62.100 -0.274 0.000 1.105 333 T CB -0.231 68.402 68.868 -0.391 0.000 0.884 333 T HN 0.692 nan 8.240 nan 0.000 0.522 334 H N -0.371 118.704 119.070 0.009 0.000 3.466 334 H HA 0.621 5.177 4.556 -0.000 0.000 0.213 334 H C 1.074 176.394 175.328 -0.013 0.000 1.290 334 H CA 0.706 56.759 56.048 0.007 0.000 1.639 334 H CB 0.193 29.968 29.762 0.022 0.000 1.500 334 H HN 0.386 nan 8.280 nan 0.000 0.504 335 G N -0.096 108.785 108.800 0.134 0.000 2.404 335 G HA2 0.251 4.211 3.960 -0.000 0.000 0.298 335 G HA3 0.251 4.211 3.960 -0.000 0.000 0.298 335 G C -0.960 173.939 174.900 -0.002 0.000 1.577 335 G CA -0.460 44.637 45.100 -0.006 0.000 0.847 335 G HN 0.309 nan 8.290 nan 0.000 0.598 336 S N -1.411 114.211 115.700 -0.130 0.000 2.617 336 S HA 0.502 4.972 4.470 -0.000 0.000 0.259 336 S C 0.895 175.616 174.600 0.201 0.000 1.301 336 S CA -0.409 57.784 58.200 -0.010 0.000 0.984 336 S CB 0.997 64.146 63.200 -0.085 0.000 0.954 336 S HN 0.807 nan 8.310 nan 0.000 0.572 337 V N 4.532 124.560 119.914 0.189 0.000 2.572 337 V HA 0.129 4.249 4.120 -0.000 0.000 0.291 337 V C -1.100 175.172 176.094 0.296 0.000 1.039 337 V CA -1.043 61.375 62.300 0.196 0.000 1.055 337 V CB 0.728 32.603 31.823 0.087 0.000 0.969 337 V HN 0.785 nan 8.190 nan 0.000 0.482 338 P HA -0.082 nan 4.420 nan 0.000 0.229 338 P C 0.424 177.816 177.300 0.153 0.000 1.150 338 P CA 0.515 63.604 63.100 -0.018 0.000 0.765 338 P CB -0.017 31.645 31.700 -0.064 0.000 0.783 339 C N 1.441 120.843 119.300 0.170 0.000 2.518 339 C HA 0.241 4.701 4.460 -0.000 0.000 0.456 339 C C 0.978 175.917 174.990 -0.085 0.000 1.016 339 C CA 0.326 59.431 59.018 0.145 0.000 1.210 339 C CB -2.550 25.160 27.740 -0.051 0.000 1.542 339 C HN 0.318 nan 8.230 nan 0.000 0.545 340 D N 0.002 120.561 120.400 0.265 0.000 3.783 340 D HA 0.030 4.670 4.640 -0.000 0.000 0.249 340 D C 0.644 177.158 176.300 0.356 0.000 1.271 340 D CA -0.091 54.062 54.000 0.254 0.000 0.818 340 D CB -0.396 40.505 40.800 0.167 0.000 1.715 340 D HN 0.332 nan 8.370 nan 0.000 0.497 341 L N -0.027 121.463 121.223 0.444 0.000 2.255 341 L HA 0.368 4.708 4.340 -0.000 0.000 0.196 341 L C 0.990 178.059 176.870 0.330 0.000 1.202 341 L CA -0.098 54.894 54.840 0.253 0.000 0.819 341 L CB -0.267 41.787 42.059 -0.008 0.000 1.006 341 L HN 0.076 nan 8.230 nan 0.000 0.480 342 I N 1.176 121.964 120.570 0.363 0.000 2.710 342 I HA 0.062 4.232 4.170 -0.000 0.000 0.286 342 I C -2.138 174.107 176.117 0.212 0.000 1.181 342 I CA -1.750 59.662 61.300 0.187 0.000 1.430 342 I CB -0.704 37.401 38.000 0.174 0.000 1.367 342 I HN -0.072 nan 8.210 nan 0.000 0.577 343 P HA 0.159 nan 4.420 nan 0.000 0.280 343 P C -0.889 176.521 177.300 0.183 0.000 1.244 343 P CA -0.649 62.498 63.100 0.078 0.000 0.784 343 P CB 0.345 32.007 31.700 -0.064 0.000 0.913 344 K N 1.281 121.700 120.400 0.031 0.000 2.079 344 K HA 0.448 4.768 4.320 -0.000 0.000 0.255 344 K C -0.188 176.391 176.600 -0.034 0.000 1.114 344 K CA -0.236 56.017 56.287 -0.056 0.000 1.056 344 K CB -0.437 31.974 32.500 -0.148 0.000 1.176 344 K HN 0.271 nan 8.250 nan 0.000 0.353 345 S N 0.738 116.418 115.700 -0.032 0.000 2.931 345 S HA -0.051 4.419 4.470 -0.000 0.000 0.276 345 S C 0.232 174.500 174.600 -0.555 0.000 0.709 345 S CA -0.367 57.709 58.200 -0.207 0.000 0.744 345 S CB 0.413 63.522 63.200 -0.152 0.000 0.942 345 S HN 0.528 nan 8.310 nan 0.000 0.570 346 S N 2.938 118.139 115.700 -0.832 0.000 2.414 346 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 346 S C 2.028 175.994 174.600 -1.057 0.000 1.022 346 S CA 2.051 59.305 58.200 -1.575 0.000 0.958 346 S CB -0.695 61.831 63.200 -1.123 0.000 0.797 346 S HN 1.340 nan 8.310 nan 0.000 0.493 347 S N 3.000 118.386 115.700 -0.523 0.000 2.504 347 S HA -0.215 4.255 4.470 -0.000 0.000 0.276 347 S C 0.718 175.205 174.600 -0.188 0.000 1.065 347 S CA 1.393 59.436 58.200 -0.261 0.000 1.500 347 S CB -1.676 61.425 63.200 -0.165 0.000 1.295 347 S HN 0.552 nan 8.310 nan 0.000 0.432 348 L N -1.527 119.634 121.223 -0.102 0.000 2.454 348 L HA 0.491 4.831 4.340 -0.000 0.000 0.284 348 L C 0.285 177.302 176.870 0.245 0.000 1.139 348 L CA -0.695 54.168 54.840 0.038 0.000 0.911 348 L CB -1.034 41.047 42.059 0.038 0.000 1.262 348 L HN 0.466 nan 8.230 nan 0.000 0.453 349 W N 3.805 125.090 121.300 -0.024 0.000 4.332 349 W HA 0.490 5.150 4.660 -0.000 0.000 0.205 349 W C 0.594 177.088 176.519 -0.042 0.000 0.907 349 W CA 0.313 57.638 57.345 -0.032 0.000 2.184 349 W CB -0.226 29.226 29.460 -0.012 0.000 0.933 349 W HN 0.610 nan 8.180 nan 0.000 0.867 350 I N 0.707 121.402 120.570 0.208 0.000 7.703 350 I HA -0.169 4.001 4.170 -0.000 0.000 0.126 350 I C 0.418 176.526 176.117 -0.014 0.000 1.619 350 I CA 0.561 61.885 61.300 0.041 0.000 2.323 350 I CB -1.212 36.762 38.000 -0.044 0.000 3.283 350 I HN 0.150 nan 8.210 nan 0.000 0.248 351 G N 4.051 112.846 108.800 -0.008 0.000 2.771 351 G HA2 0.134 4.094 3.960 -0.000 0.000 0.242 351 G HA3 0.134 4.094 3.960 -0.000 0.000 0.242 351 G C 0.684 175.620 174.900 0.059 0.000 1.233 351 G CA 0.103 45.230 45.100 0.046 0.000 0.858 351 G HN 1.287 nan 8.290 nan 0.000 0.591 352 N N -1.484 117.311 118.700 0.159 0.000 2.322 352 N HA -0.003 4.737 4.740 -0.000 0.000 0.181 352 N C 1.701 177.501 175.510 0.483 0.000 1.088 352 N CA 0.235 53.455 53.050 0.284 0.000 0.885 352 N CB 0.273 38.832 38.487 0.121 0.000 1.013 352 N HN 0.491 nan 8.380 nan 0.000 0.472 353 R N -1.566 119.193 120.500 0.430 0.000 2.237 353 R HA 0.281 4.621 4.340 -0.000 0.000 0.195 353 R C -0.886 175.848 176.300 0.724 0.000 0.956 353 R CA 0.236 56.610 56.100 0.456 0.000 1.029 353 R CB 0.178 30.669 30.300 0.318 0.000 0.972 353 R HN 0.220 nan 8.270 nan 0.000 0.493 354 F N 0.461 120.661 119.950 0.416 0.000 2.574 354 F HA 0.206 4.733 4.527 -0.000 0.000 0.313 354 F C -0.488 175.094 175.800 -0.363 0.000 1.130 354 F CA -1.849 56.278 58.000 0.211 0.000 0.936 354 F CB 1.110 40.093 39.000 -0.029 0.000 1.219 354 F HN 0.061 nan 8.300 nan 0.000 0.445 355 W N 3.548 123.995 121.300 -1.422 0.000 3.228 355 W HA 0.161 4.821 4.660 -0.000 0.000 0.257 355 W C -0.300 175.736 176.519 -0.806 0.000 1.338 355 W CA 0.228 56.748 57.345 -1.376 0.000 1.472 355 W CB -1.236 27.522 29.460 -1.170 0.000 1.080 355 W HN 0.449 nan 8.180 nan 0.000 0.730 356 S N 1.951 117.082 115.700 -0.949 0.000 2.565 356 S HA 0.195 4.665 4.470 -0.000 0.000 0.290 356 S C 0.253 174.751 174.600 -0.171 0.000 1.150 356 S CA -0.710 57.172 58.200 -0.529 0.000 1.058 356 S CB 1.191 64.204 63.200 -0.313 0.000 1.032 356 S HN 0.198 nan 8.310 nan 0.000 0.510 357 D N 3.229 123.584 120.400 -0.074 0.000 2.414 357 D HA 0.158 4.798 4.640 -0.000 0.000 0.242 357 D C 0.244 176.600 176.300 0.093 0.000 1.129 357 D CA -0.273 53.752 54.000 0.041 0.000 0.885 357 D CB 0.245 41.074 40.800 0.047 0.000 1.198 357 D HN 0.349 nan 8.370 nan 0.000 0.437 358 I N 0.659 121.362 120.570 0.222 0.000 2.836 358 I HA 0.047 4.217 4.170 -0.000 0.000 0.285 358 I C 1.682 177.927 176.117 0.213 0.000 1.174 358 I CA 0.418 61.887 61.300 0.281 0.000 1.405 358 I CB 0.510 38.807 38.000 0.496 0.000 1.385 358 I HN 0.492 nan 8.210 nan 0.000 0.594 359 T N 1.655 116.235 114.554 0.042 0.000 3.403 359 T HA 0.248 4.598 4.350 -0.000 0.000 0.308 359 T C -0.578 173.855 174.700 -0.446 0.000 0.952 359 T CA -0.061 61.762 62.100 -0.462 0.000 0.970 359 T CB -0.554 68.050 68.868 -0.440 0.000 1.189 359 T HN 0.757 nan 8.240 nan 0.000 0.528 360 D N -0.660 119.705 120.400 -0.059 0.000 2.913 360 D HA 0.293 4.933 4.640 -0.000 0.000 0.293 360 D C -1.743 174.547 176.300 -0.017 0.000 1.238 360 D CA -0.377 53.568 54.000 -0.092 0.000 0.738 360 D CB 0.960 41.729 40.800 -0.052 0.000 1.254 360 D HN 0.181 nan 8.370 nan 0.000 0.429 361 F N 0.134 120.181 119.950 0.161 0.000 2.561 361 F HA 0.594 5.121 4.527 -0.000 0.000 0.321 361 F C 0.108 175.857 175.800 -0.084 0.000 1.065 361 F CA -1.048 56.963 58.000 0.018 0.000 0.934 361 F CB 2.241 41.242 39.000 0.001 0.000 1.215 361 F HN -0.091 nan 8.300 nan 0.000 0.471 362 V N 4.493 124.419 119.914 0.019 0.000 2.376 362 V HA 0.243 4.363 4.120 -0.000 0.000 0.287 362 V C -0.002 175.992 176.094 -0.166 0.000 1.015 362 V CA -0.835 61.382 62.300 -0.138 0.000 0.834 362 V CB 1.263 32.819 31.823 -0.444 0.000 1.001 362 V HN 0.471 nan 8.190 nan 0.000 0.428 363 I N 2.655 123.149 120.570 -0.127 0.000 2.311 363 I HA 0.533 4.703 4.170 -0.000 0.000 0.297 363 I C 0.070 176.126 176.117 -0.102 0.000 1.131 363 I CA 0.304 61.517 61.300 -0.145 0.000 1.289 363 I CB -0.478 37.429 38.000 -0.155 0.000 1.446 363 I HN 0.469 nan 8.210 nan 0.000 0.524 364 R N 7.657 128.104 120.500 -0.088 0.000 2.892 364 R HA 0.572 4.912 4.340 -0.000 0.000 0.265 364 R C -1.917 174.373 176.300 -0.017 0.000 1.025 364 R CA -1.764 54.327 56.100 -0.014 0.000 0.982 364 R CB 1.779 32.106 30.300 0.044 0.000 1.185 364 R HN 0.312 nan 8.270 nan 0.000 0.484 365 P HA 0.150 nan 4.420 nan 0.000 0.239 365 P C -0.385 176.648 177.300 -0.444 0.000 1.188 365 P CA 0.636 63.641 63.100 -0.159 0.000 0.794 365 P CB 0.759 32.429 31.700 -0.050 0.000 0.937 366 F N -1.100 118.894 119.950 0.073 0.000 2.613 366 F HA 0.460 4.987 4.527 -0.000 0.000 0.310 366 F C -0.566 175.304 175.800 0.117 0.000 1.085 366 F CA -1.064 57.004 58.000 0.113 0.000 0.945 366 F CB 2.542 41.688 39.000 0.243 0.000 1.298 366 F HN -0.469 nan 8.300 nan 0.000 0.455 367 V N 2.485 122.583 119.914 0.308 0.000 2.888 367 V HA 0.615 4.735 4.120 -0.000 0.000 0.309 367 V C -1.456 174.771 176.094 0.223 0.000 1.114 367 V CA -0.988 61.306 62.300 -0.011 0.000 0.940 367 V CB 2.240 33.866 31.823 -0.328 0.000 1.021 367 V HN 0.564 nan 8.190 nan 0.000 0.426 368 F N 1.763 121.936 119.950 0.372 0.000 2.604 368 F HA 0.894 5.421 4.527 -0.000 0.000 0.316 368 F C -0.821 175.136 175.800 0.263 0.000 1.136 368 F CA -0.778 57.395 58.000 0.290 0.000 0.989 368 F CB 1.821 40.949 39.000 0.214 0.000 1.258 368 F HN 0.524 nan 8.300 nan 0.000 0.451 369 Q N 1.997 121.976 119.800 0.298 0.000 2.593 369 Q HA 0.673 5.013 4.340 -0.000 0.000 0.242 369 Q C -1.355 174.627 176.000 -0.029 0.000 0.944 369 Q CA 0.208 56.111 55.803 0.165 0.000 1.041 369 Q CB 1.847 30.675 28.738 0.150 0.000 1.588 369 Q HN 1.079 nan 8.270 nan 0.000 0.464 370 A N 3.706 126.466 122.820 -0.100 0.000 1.988 370 A HA 0.219 4.539 4.320 -0.000 0.000 0.201 370 A C 0.549 177.869 177.584 -0.440 0.000 1.410 370 A CA 0.467 52.344 52.037 -0.266 0.000 0.832 370 A CB -0.155 18.690 19.000 -0.258 0.000 0.981 370 A HN 0.767 nan 8.150 nan 0.000 0.492 371 N N 1.130 119.447 118.700 -0.637 0.000 2.223 371 N HA -0.110 4.630 4.740 -0.000 0.000 0.271 371 N C -0.377 174.893 175.510 -0.401 0.000 1.315 371 N CA 0.253 52.782 53.050 -0.868 0.000 0.835 371 N CB 0.037 38.223 38.487 -0.501 0.000 1.066 371 N HN 0.343 nan 8.380 nan 0.000 0.486 372 R N 0.933 121.185 120.500 -0.413 0.000 3.525 372 R HA -0.217 4.123 4.340 -0.000 0.000 0.276 372 R C -0.740 175.545 176.300 -0.024 0.000 1.116 372 R CA 0.624 56.649 56.100 -0.124 0.000 0.745 372 R CB -2.175 28.132 30.300 0.010 0.000 1.185 372 R HN 0.664 nan 8.270 nan 0.000 0.454 373 H N -0.254 118.616 119.070 -0.334 0.000 2.495 373 H HA 0.524 5.080 4.556 -0.000 0.000 0.348 373 H C -0.889 174.231 175.328 -0.347 0.000 1.113 373 H CA -0.632 55.284 56.048 -0.220 0.000 1.195 373 H CB 0.686 30.285 29.762 -0.272 0.000 1.521 373 H HN -0.033 nan 8.280 nan 0.000 0.509 374 F N 1.918 121.878 119.950 0.016 0.000 2.546 374 F HA 0.188 4.715 4.527 -0.000 0.000 0.320 374 F C 0.618 176.464 175.800 0.077 0.000 1.076 374 F CA -0.812 57.221 58.000 0.056 0.000 0.928 374 F CB 1.429 40.405 39.000 -0.040 0.000 1.189 374 F HN 0.526 nan 8.300 nan 0.000 0.465 375 D N 0.561 121.124 120.400 0.272 0.000 2.411 375 D HA 0.203 4.843 4.640 -0.000 0.000 0.251 375 D C 0.606 177.025 176.300 0.198 0.000 1.201 375 D CA 0.073 54.196 54.000 0.205 0.000 0.996 375 D CB 0.664 41.577 40.800 0.187 0.000 1.101 375 D HN 0.491 nan 8.370 nan 0.000 0.504 376 F N -0.157 119.890 119.950 0.163 0.000 2.615 376 F HA 0.073 4.600 4.527 -0.000 0.000 0.297 376 F C 1.356 177.244 175.800 0.146 0.000 1.124 376 F CA -0.096 57.984 58.000 0.134 0.000 1.451 376 F CB 0.335 39.401 39.000 0.109 0.000 1.103 376 F HN 0.238 nan 8.300 nan 0.000 0.569 377 N N 0.704 119.609 118.700 0.342 0.000 2.295 377 N HA 0.028 4.768 4.740 -0.000 0.000 0.221 377 N C 0.127 175.765 175.510 0.213 0.000 1.129 377 N CA 0.301 53.492 53.050 0.234 0.000 0.836 377 N CB -0.024 38.570 38.487 0.178 0.000 1.040 377 N HN 0.227 nan 8.380 nan 0.000 0.494 378 Q N -1.422 118.531 119.800 0.254 0.000 2.324 378 Q HA -0.258 4.082 4.340 -0.000 0.000 0.200 378 Q C -0.155 176.004 176.000 0.264 0.000 0.645 378 Q CA 1.159 57.108 55.803 0.244 0.000 1.377 378 Q CB -1.173 27.674 28.738 0.181 0.000 1.486 378 Q HN 0.584 nan 8.270 nan 0.000 0.796 379 E N 0.600 120.926 120.200 0.210 0.000 2.349 379 E HA 0.366 4.716 4.350 -0.000 0.000 0.262 379 E C -0.458 176.206 176.600 0.106 0.000 1.088 379 E CA 0.366 56.854 56.400 0.146 0.000 0.899 379 E CB 1.163 30.925 29.700 0.104 0.000 1.044 379 E HN 0.036 nan 8.360 nan 0.000 0.420 380 T N 1.239 115.772 114.554 -0.036 0.000 3.071 380 T HA 0.458 4.808 4.350 -0.000 0.000 0.311 380 T C 0.169 174.738 174.700 -0.218 0.000 1.042 380 T CA 0.067 62.008 62.100 -0.265 0.000 1.028 380 T CB 1.264 69.622 68.868 -0.849 0.000 1.068 380 T HN 0.475 nan 8.240 nan 0.000 0.451 381 A N 3.778 126.476 122.820 -0.204 0.000 2.067 381 A HA 0.391 4.711 4.320 -0.000 0.000 0.219 381 A C 1.536 178.982 177.584 -0.230 0.000 1.158 381 A CA 1.156 53.097 52.037 -0.159 0.000 0.661 381 A CB -1.015 17.896 19.000 -0.148 0.000 0.801 381 A HN 1.053 nan 8.150 nan 0.000 0.452 382 G N -1.542 107.022 108.800 -0.392 0.000 2.518 382 G HA2 0.152 4.112 3.960 -0.000 0.000 0.284 382 G HA3 0.152 4.112 3.960 -0.000 0.000 0.284 382 G C 0.209 174.903 174.900 -0.342 0.000 1.362 382 G CA 0.454 45.211 45.100 -0.571 0.000 1.065 382 G HN 1.129 nan 8.290 nan 0.000 0.561 383 W N -1.086 120.158 121.300 -0.093 0.000 0.964 383 W HA 0.589 5.249 4.660 -0.000 0.000 0.236 383 W C -0.320 176.177 176.519 -0.036 0.000 0.808 383 W CA -0.919 56.395 57.345 -0.052 0.000 1.603 383 W CB -0.895 28.543 29.460 -0.037 0.000 0.931 383 W HN 0.724 nan 8.180 nan 0.000 0.416 384 S N -1.127 114.622 115.700 0.082 0.000 2.542 384 S HA 0.503 4.973 4.470 -0.000 0.000 0.276 384 S C -0.361 174.328 174.600 0.148 0.000 1.148 384 S CA -0.684 57.599 58.200 0.140 0.000 0.886 384 S CB 1.270 64.561 63.200 0.151 0.000 1.109 384 S HN 0.056 nan 8.310 nan 0.000 0.458 385 T N 4.330 118.986 114.554 0.170 0.000 2.934 385 T HA 0.220 4.570 4.350 -0.000 0.000 0.306 385 T C -1.875 172.936 174.700 0.185 0.000 1.042 385 T CA -0.546 61.676 62.100 0.204 0.000 1.145 385 T CB 0.005 68.961 68.868 0.147 0.000 0.982 385 T HN 0.540 nan 8.240 nan 0.000 0.544 386 P HA 0.013 nan 4.420 nan 0.000 0.311 386 P C 0.002 177.385 177.300 0.138 0.000 1.543 386 P CA 0.527 63.706 63.100 0.132 0.000 0.766 386 P CB 0.034 31.650 31.700 -0.140 0.000 1.711 387 R N -0.847 119.740 120.500 0.146 0.000 2.799 387 R HA 0.559 4.899 4.340 -0.000 0.000 0.270 387 R C -0.942 175.471 176.300 0.187 0.000 1.010 387 R CA -0.858 55.378 56.100 0.227 0.000 0.916 387 R CB 1.250 31.638 30.300 0.148 0.000 1.228 387 R HN -0.143 nan 8.270 nan 0.000 0.469 388 F N 1.407 121.391 119.950 0.056 0.000 2.361 388 F HA 0.536 5.063 4.527 -0.000 0.000 0.364 388 F C 0.368 176.155 175.800 -0.023 0.000 1.117 388 F CA -0.319 57.703 58.000 0.037 0.000 1.071 388 F CB 1.174 40.199 39.000 0.042 0.000 1.188 388 F HN 0.136 nan 8.300 nan 0.000 0.464 389 R N 2.205 122.747 120.500 0.070 0.000 2.799 389 R HA 0.521 4.861 4.340 -0.000 0.000 0.270 389 R C -2.678 173.633 176.300 0.019 0.000 1.010 389 R CA -2.078 54.045 56.100 0.039 0.000 0.916 389 R CB 1.800 32.137 30.300 0.061 0.000 1.228 389 R HN 0.267 nan 8.270 nan 0.000 0.469 390 P HA 0.034 nan 4.420 nan 0.000 0.266 390 P C -0.938 176.403 177.300 0.068 0.000 1.193 390 P CA 0.087 63.205 63.100 0.031 0.000 0.770 390 P CB 0.373 32.094 31.700 0.034 0.000 0.836 391 I N 1.139 121.745 120.570 0.060 0.000 2.328 391 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 391 I C 0.635 176.854 176.117 0.171 0.000 1.012 391 I CA -0.072 61.285 61.300 0.095 0.000 1.195 391 I CB 0.934 38.953 38.000 0.031 0.000 1.350 391 I HN 0.137 nan 8.210 nan 0.000 0.464 392 T N 6.620 121.347 114.554 0.288 0.000 2.753 392 T HA 0.725 5.075 4.350 -0.000 0.000 0.297 392 T C -0.587 174.276 174.700 0.272 0.000 0.981 392 T CA -0.291 61.953 62.100 0.240 0.000 0.956 392 T CB 0.116 69.090 68.868 0.177 0.000 0.936 392 T HN 0.307 nan 8.240 nan 0.000 0.463 393 V N 4.047 124.086 119.914 0.208 0.000 2.962 393 V HA 0.671 4.791 4.120 -0.000 0.000 0.313 393 V C 0.225 176.389 176.094 0.117 0.000 1.099 393 V CA -1.011 61.399 62.300 0.183 0.000 0.971 393 V CB 2.342 34.297 31.823 0.221 0.000 1.028 393 V HN 0.891 nan 8.190 nan 0.000 0.430 394 T N 4.084 118.686 114.554 0.079 0.000 2.772 394 T HA 0.697 5.047 4.350 -0.000 0.000 0.288 394 T C -0.766 173.943 174.700 0.015 0.000 0.994 394 T CA -0.365 61.764 62.100 0.048 0.000 0.951 394 T CB 0.238 69.130 68.868 0.041 0.000 0.933 394 T HN 0.636 nan 8.240 nan 0.000 0.447 395 I N 2.391 122.963 120.570 0.003 0.000 2.441 395 I HA 0.666 4.836 4.170 -0.000 0.000 0.295 395 I C -0.041 176.025 176.117 -0.085 0.000 0.994 395 I CA -0.585 60.697 61.300 -0.030 0.000 1.144 395 I CB 2.155 40.151 38.000 -0.008 0.000 1.314 395 I HN 0.391 nan 8.210 nan 0.000 0.445 396 S N 5.340 120.973 115.700 -0.113 0.000 2.422 396 S HA 0.197 4.667 4.470 -0.000 0.000 0.283 396 S C -0.091 174.408 174.600 -0.169 0.000 1.163 396 S CA -0.585 57.508 58.200 -0.178 0.000 1.054 396 S CB -0.001 63.103 63.200 -0.160 0.000 0.967 396 S HN 0.670 nan 8.310 nan 0.000 0.499 397 Q N 2.516 122.188 119.800 -0.213 0.000 2.478 397 Q HA -0.093 4.247 4.340 -0.000 0.000 0.323 397 Q C 1.224 177.144 176.000 -0.134 0.000 1.087 397 Q CA 0.331 56.036 55.803 -0.163 0.000 1.056 397 Q CB 0.327 28.949 28.738 -0.193 0.000 1.018 397 Q HN 0.623 nan 8.270 nan 0.000 0.387 398 K N 2.781 123.124 120.400 -0.095 0.000 2.365 398 K HA -0.226 4.094 4.320 -0.000 0.000 0.199 398 K C 0.947 177.514 176.600 -0.056 0.000 1.045 398 K CA 1.086 57.328 56.287 -0.076 0.000 0.962 398 K CB 0.301 32.760 32.500 -0.068 0.000 0.759 398 K HN 0.749 nan 8.250 nan 0.000 0.469 399 E N -2.001 118.172 120.200 -0.045 0.000 4.666 399 E HA -0.211 4.139 4.350 -0.000 0.000 0.159 399 E C 0.995 177.597 176.600 0.002 0.000 1.083 399 E CA 1.744 58.133 56.400 -0.018 0.000 2.496 399 E CB -1.848 27.839 29.700 -0.023 0.000 1.689 399 E HN 0.456 nan 8.360 nan 0.000 0.531 400 G N 1.767 110.561 108.800 -0.010 0.000 2.707 400 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.192 400 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.192 400 G C 0.947 175.854 174.900 0.012 0.000 1.471 400 G CA 1.393 46.493 45.100 -0.001 0.000 0.865 400 G HN 0.351 nan 8.290 nan 0.000 0.529 401 E N -0.831 119.364 120.200 -0.008 0.000 3.508 401 E HA 0.389 4.739 4.350 -0.000 0.000 0.199 401 E C 0.612 177.178 176.600 -0.056 0.000 0.811 401 E CA -0.746 55.651 56.400 -0.006 0.000 1.314 401 E CB 0.343 30.041 29.700 -0.004 0.000 1.856 401 E HN 0.233 nan 8.360 nan 0.000 0.373 402 M N 1.262 120.798 119.600 -0.105 0.000 2.245 402 M HA 0.190 4.670 4.480 -0.000 0.000 0.330 402 M C -0.182 176.004 176.300 -0.190 0.000 1.098 402 M CA 0.332 55.509 55.300 -0.204 0.000 1.172 402 M CB 0.384 32.718 32.600 -0.444 0.000 1.467 402 M HN 0.352 nan 8.290 nan 0.000 0.454 403 L N 1.052 122.168 121.223 -0.179 0.000 3.414 403 L HA 1.004 5.344 4.340 -0.000 0.000 0.172 403 L C 1.195 177.995 176.870 -0.116 0.000 1.268 403 L CA 0.482 55.245 54.840 -0.128 0.000 0.871 403 L CB -1.624 40.380 42.059 -0.092 0.000 1.470 403 L HN 1.171 nan 8.230 nan 0.000 0.600 404 G N 0.748 109.503 108.800 -0.076 0.000 2.466 404 G HA2 0.018 3.978 3.960 -0.000 0.000 0.218 404 G HA3 0.018 3.978 3.960 -0.000 0.000 0.218 404 G C -0.261 174.622 174.900 -0.029 0.000 1.237 404 G CA 0.167 45.255 45.100 -0.021 0.000 0.954 404 G HN 1.511 nan 8.290 nan 0.000 0.580 405 I N -2.487 118.058 120.570 -0.042 0.000 4.891 405 I HA 0.188 4.358 4.170 -0.000 0.000 0.126 405 I C 0.472 176.542 176.117 -0.078 0.000 1.208 405 I CA 0.929 62.179 61.300 -0.084 0.000 2.657 405 I CB -1.607 36.345 38.000 -0.080 0.000 1.997 405 I HN 2.166 nan 8.210 nan 0.000 0.324 406 G N 4.221 112.973 108.800 -0.081 0.000 2.683 406 G HA2 0.669 4.629 3.960 -0.000 0.000 0.299 406 G HA3 0.669 4.629 3.960 -0.000 0.000 0.299 406 G C -0.456 174.399 174.900 -0.075 0.000 1.432 406 G CA -0.817 44.253 45.100 -0.051 0.000 0.978 406 G HN 0.431 nan 8.290 nan 0.000 0.513 407 V N 1.974 121.848 119.914 -0.066 0.000 2.811 407 V HA 0.487 4.606 4.120 -0.000 0.000 0.302 407 V C 1.405 177.501 176.094 0.002 0.000 1.063 407 V CA 0.081 62.343 62.300 -0.064 0.000 1.088 407 V CB 1.153 32.942 31.823 -0.056 0.000 0.982 407 V HN 1.038 nan 8.190 nan 0.000 0.485 408 A N 3.250 126.096 122.820 0.043 0.000 2.339 408 A HA 0.244 4.564 4.320 -0.000 0.000 0.272 408 A C 1.419 179.042 177.584 0.065 0.000 1.182 408 A CA 1.017 53.160 52.037 0.178 0.000 0.819 408 A CB -0.073 19.176 19.000 0.414 0.000 1.115 408 A HN 0.948 nan 8.150 nan 0.000 0.512 409 T N -1.820 112.716 114.554 -0.029 0.000 3.058 409 T HA 0.180 4.530 4.350 -0.000 0.000 0.247 409 T C -0.711 173.810 174.700 -0.298 0.000 0.987 409 T CA 0.967 62.984 62.100 -0.138 0.000 1.062 409 T CB -0.195 68.620 68.868 -0.088 0.000 1.048 409 T HN 0.817 nan 8.240 nan 0.000 0.468 410 D N 0.817 120.782 120.400 -0.725 0.000 2.668 410 D HA 0.343 4.983 4.640 -0.000 0.000 0.247 410 D C -1.409 174.394 176.300 -0.830 0.000 1.268 410 D CA -0.500 53.123 54.000 -0.628 0.000 0.842 410 D CB -0.584 39.980 40.800 -0.394 0.000 1.399 410 D HN 0.272 nan 8.370 nan 0.000 0.530 411 Y N 0.075 120.396 120.300 0.035 0.000 2.545 411 Y HA 0.377 4.927 4.550 -0.000 0.000 0.348 411 Y C 0.629 176.559 175.900 0.050 0.000 1.002 411 Y CA -1.948 56.182 58.100 0.050 0.000 1.039 411 Y CB 1.306 39.799 38.460 0.056 0.000 1.271 411 Y HN 0.090 nan 8.280 nan 0.000 0.467 412 I N 0.550 121.267 120.570 0.246 0.000 3.309 412 I HA 0.328 4.498 4.170 -0.000 0.000 0.287 412 I C -0.398 175.811 176.117 0.152 0.000 1.221 412 I CA -0.922 60.475 61.300 0.162 0.000 1.575 412 I CB -1.466 36.624 38.000 0.149 0.000 1.254 412 I HN 0.211 nan 8.210 nan 0.000 0.600 413 V N -0.255 119.750 119.914 0.152 0.000 2.735 413 V HA 0.372 4.492 4.120 -0.000 0.000 0.276 413 V C -2.785 173.358 176.094 0.083 0.000 1.083 413 V CA -1.359 61.014 62.300 0.122 0.000 0.923 413 V CB 1.359 33.280 31.823 0.164 0.000 1.053 413 V HN 0.149 nan 8.190 nan 0.000 0.471 414 P HA 0.139 nan 4.420 nan 0.000 0.251 414 P C 1.124 178.419 177.300 -0.009 0.000 1.154 414 P CA 2.219 65.332 63.100 0.023 0.000 0.805 414 P CB 0.627 32.336 31.700 0.015 0.000 0.759 415 G N 5.094 113.886 108.800 -0.014 0.000 5.259 415 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.288 415 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.288 415 G C 0.159 174.989 174.900 -0.116 0.000 1.534 415 G CA -0.107 44.952 45.100 -0.069 0.000 1.031 415 G HN 0.546 nan 8.290 nan 0.000 0.724 416 I N 4.244 124.704 120.570 -0.184 0.000 3.022 416 I HA 0.127 4.297 4.170 -0.000 0.000 0.290 416 I C -1.919 174.071 176.117 -0.211 0.000 1.212 416 I CA -1.100 59.999 61.300 -0.335 0.000 1.377 416 I CB -0.766 37.005 38.000 -0.381 0.000 1.417 416 I HN 0.060 nan 8.210 nan 0.000 0.540 417 P HA -0.008 nan 4.420 nan 0.000 0.264 417 P C -0.180 176.894 177.300 -0.376 0.000 1.193 417 P CA -0.119 62.852 63.100 -0.214 0.000 0.763 417 P CB 0.412 32.053 31.700 -0.100 0.000 0.810 418 D N 2.894 122.876 120.400 -0.697 0.000 2.401 418 D HA 0.294 4.934 4.640 -0.000 0.000 0.254 418 D C 1.341 177.432 176.300 -0.349 0.000 1.192 418 D CA 1.078 54.894 54.000 -0.308 0.000 0.885 418 D CB -0.400 40.343 40.800 -0.095 0.000 1.147 418 D HN 0.604 nan 8.370 nan 0.000 0.478 419 G N 3.753 112.528 108.800 -0.042 0.000 2.253 419 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.209 419 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.209 419 G C 0.129 175.041 174.900 0.020 0.000 0.997 419 G CA -0.177 44.879 45.100 -0.074 0.000 0.640 419 G HN 0.574 nan 8.290 nan 0.000 0.496 420 W N 4.436 125.661 121.300 -0.126 0.000 2.264 420 W HA 0.360 5.020 4.660 -0.000 0.000 0.331 420 W C -0.936 175.567 176.519 -0.027 0.000 1.364 420 W CA -0.262 56.999 57.345 -0.140 0.000 1.253 420 W CB 0.265 29.553 29.460 -0.286 0.000 1.215 420 W HN 0.235 nan 8.180 nan 0.000 0.561 421 P HA -0.240 nan 4.420 nan 0.000 0.276 421 P C 0.349 177.697 177.300 0.079 0.000 1.300 421 P CA 0.710 63.634 63.100 -0.294 0.000 0.909 421 P CB 0.854 31.868 31.700 -1.144 0.000 1.036 422 D N -1.230 119.200 120.400 0.050 0.000 2.628 422 D HA -0.026 4.614 4.640 -0.000 0.000 0.258 422 D C 0.761 177.215 176.300 0.257 0.000 1.165 422 D CA 1.171 55.342 54.000 0.284 0.000 0.991 422 D CB -0.386 40.578 40.800 0.273 0.000 1.104 422 D HN 0.523 nan 8.370 nan 0.000 0.438 423 T N -1.723 112.966 114.554 0.224 0.000 2.771 423 T HA 0.513 4.863 4.350 -0.000 0.000 0.290 423 T C 0.235 175.064 174.700 0.214 0.000 1.005 423 T CA -0.420 61.818 62.100 0.231 0.000 0.944 423 T CB 1.402 70.412 68.868 0.237 0.000 1.147 423 T HN 0.035 nan 8.240 nan 0.000 0.534 424 T N 0.491 115.173 114.554 0.214 0.000 2.883 424 T HA 0.512 4.862 4.350 -0.000 0.000 0.296 424 T C 0.066 174.892 174.700 0.210 0.000 1.117 424 T CA -0.898 61.325 62.100 0.205 0.000 1.006 424 T CB 0.904 69.861 68.868 0.149 0.000 1.191 424 T HN 0.882 nan 8.240 nan 0.000 0.508 425 I N 1.140 121.833 120.570 0.204 0.000 2.826 425 I HA 0.218 4.388 4.170 -0.000 0.000 0.295 425 I C -1.791 174.403 176.117 0.128 0.000 1.213 425 I CA -1.236 60.169 61.300 0.176 0.000 1.436 425 I CB 0.115 38.214 38.000 0.165 0.000 1.348 425 I HN 0.345 nan 8.210 nan 0.000 0.570 426 P HA 0.170 nan 4.420 nan 0.000 0.243 426 P C -0.778 176.558 177.300 0.059 0.000 1.668 426 P CA 0.147 63.294 63.100 0.079 0.000 0.898 426 P CB -0.214 31.529 31.700 0.073 0.000 1.637 427 N N 0.413 119.151 118.700 0.063 0.000 4.107 427 N HA -0.023 4.717 4.740 -0.000 0.000 0.213 427 N C -0.936 174.606 175.510 0.053 0.000 1.216 427 N CA -0.517 52.562 53.050 0.048 0.000 0.925 427 N CB 0.685 39.195 38.487 0.039 0.000 1.541 427 N HN -0.089 nan 8.380 nan 0.000 0.524 428 E N 2.720 122.945 120.200 0.042 0.000 2.443 428 E HA 0.070 4.420 4.350 -0.000 0.000 0.310 428 E C -0.217 176.410 176.600 0.046 0.000 1.202 428 E CA -0.063 56.362 56.400 0.042 0.000 1.301 428 E CB -0.176 29.542 29.700 0.029 0.000 1.104 428 E HN 0.229 nan 8.360 nan 0.000 0.487 429 L N 2.710 123.971 121.223 0.063 0.000 2.416 429 L HA 0.490 4.830 4.340 -0.000 0.000 0.262 429 L C 0.674 177.597 176.870 0.089 0.000 1.093 429 L CA -0.976 53.904 54.840 0.067 0.000 0.801 429 L CB 0.725 42.828 42.059 0.073 0.000 1.191 429 L HN 0.498 nan 8.230 nan 0.000 0.459 430 I N -0.649 119.973 120.570 0.087 0.000 2.947 430 I HA 0.594 4.764 4.170 -0.000 0.000 0.314 430 I C -2.452 173.781 176.117 0.194 0.000 1.028 430 I CA -2.331 59.033 61.300 0.107 0.000 1.077 430 I CB 1.753 39.794 38.000 0.067 0.000 1.274 430 I HN 0.332 nan 8.210 nan 0.000 0.485 431 P HA 0.616 nan 4.420 nan 0.000 0.294 431 P C -0.851 176.666 177.300 0.360 0.000 1.389 431 P CA -0.107 63.265 63.100 0.454 0.000 0.875 431 P CB 1.283 33.086 31.700 0.170 0.000 1.018 432 A N 2.368 125.410 122.820 0.370 0.000 4.047 432 A HA 0.739 5.059 4.320 -0.000 0.000 0.273 432 A C -0.346 177.321 177.584 0.138 0.000 1.016 432 A CA -0.100 52.069 52.037 0.220 0.000 0.565 432 A CB -0.274 18.789 19.000 0.105 0.000 1.701 432 A HN 0.733 nan 8.150 nan 0.000 0.814 433 G N 0.789 109.601 108.800 0.019 0.000 3.129 433 G HA2 0.007 3.967 3.960 -0.000 0.000 0.304 433 G HA3 0.007 3.967 3.960 -0.000 0.000 0.304 433 G C -0.055 174.829 174.900 -0.026 0.000 0.679 433 G CA 0.537 45.582 45.100 -0.092 0.000 0.812 433 G HN 0.844 nan 8.290 nan 0.000 0.409 434 D N 1.590 121.960 120.400 -0.049 0.000 1.392 434 D HA -0.105 4.535 4.640 -0.000 0.000 0.319 434 D C 1.732 178.093 176.300 0.103 0.000 1.214 434 D CA 1.622 55.643 54.000 0.035 0.000 1.004 434 D CB -0.137 40.660 40.800 -0.005 0.000 1.823 434 D HN 0.803 nan 8.370 nan 0.000 0.586 435 Y N 0.333 120.731 120.300 0.164 0.000 3.096 435 Y HA 0.511 5.061 4.550 -0.000 0.000 0.377 435 Y C 0.097 176.142 175.900 0.243 0.000 1.107 435 Y CA -0.956 57.336 58.100 0.321 0.000 2.045 435 Y CB -1.117 37.504 38.460 0.267 0.000 2.203 435 Y HN 0.061 nan 8.280 nan 0.000 0.408 436 A N 2.567 125.310 122.820 -0.129 0.000 2.598 436 A HA 0.207 4.527 4.320 -0.000 0.000 0.239 436 A C 0.776 178.139 177.584 -0.368 0.000 1.032 436 A CA -0.014 51.827 52.037 -0.327 0.000 0.760 436 A CB -0.708 17.997 19.000 -0.492 0.000 0.946 436 A HN 0.906 nan 8.150 nan 0.000 0.512 437 I N 0.328 120.707 120.570 -0.318 0.000 3.184 437 I HA 0.609 4.779 4.170 -0.000 0.000 0.216 437 I C 0.955 176.825 176.117 -0.412 0.000 1.293 437 I CA 0.636 61.719 61.300 -0.360 0.000 0.817 437 I CB 0.299 38.228 38.000 -0.119 0.000 1.690 437 I HN 0.516 nan 8.210 nan 0.000 0.944 438 T N 0.233 114.616 114.554 -0.285 0.000 5.355 438 T HA 0.068 4.418 4.350 -0.000 0.000 0.331 438 T C -0.217 174.409 174.700 -0.123 0.000 0.922 438 T CA -0.161 61.809 62.100 -0.216 0.000 0.405 438 T CB -1.601 67.082 68.868 -0.308 0.000 0.521 438 T HN 1.018 nan 8.240 nan 0.000 0.260 439 N N 2.212 120.863 118.700 -0.080 0.000 3.742 439 N HA -0.183 4.557 4.740 -0.000 0.000 0.337 439 N C -0.494 175.027 175.510 0.019 0.000 1.387 439 N CA 1.905 54.951 53.050 -0.006 0.000 3.068 439 N CB -0.003 38.497 38.487 0.021 0.000 0.351 439 N HN 0.685 nan 8.380 nan 0.000 0.928 440 Q N -0.833 118.995 119.800 0.046 0.000 2.584 440 Q HA -0.121 4.219 4.340 -0.000 0.000 0.235 440 Q C -1.399 174.637 176.000 0.060 0.000 1.360 440 Q CA 1.163 56.996 55.803 0.050 0.000 0.626 440 Q CB -0.946 27.812 28.738 0.034 0.000 0.753 440 Q HN 0.557 nan 8.270 nan 0.000 0.316 441 S N 0.521 116.264 115.700 0.072 0.000 2.568 441 S HA 0.841 5.311 4.470 -0.000 0.000 0.302 441 S C 1.142 175.765 174.600 0.038 0.000 1.082 441 S CA 0.103 58.344 58.200 0.069 0.000 1.009 441 S CB 1.937 65.195 63.200 0.097 0.000 1.069 441 S HN 1.369 nan 8.310 nan 0.000 0.500 442 G N 2.671 111.486 108.800 0.025 0.000 2.363 442 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.238 442 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.238 442 G C 0.377 175.285 174.900 0.013 0.000 1.062 442 G CA 0.344 45.453 45.100 0.014 0.000 0.629 442 G HN 0.666 nan 8.290 nan 0.000 0.514 443 N N 2.501 121.212 118.700 0.018 0.000 2.878 443 N HA 0.243 4.983 4.740 -0.000 0.000 0.282 443 N C -0.224 175.294 175.510 0.012 0.000 1.284 443 N CA 0.167 53.226 53.050 0.015 0.000 1.053 443 N CB -0.221 38.278 38.487 0.020 0.000 1.382 443 N HN 0.437 nan 8.380 nan 0.000 0.529 444 D N 1.345 121.751 120.400 0.009 0.000 2.425 444 D HA 0.029 4.668 4.640 -0.000 0.000 0.247 444 D C 1.348 177.648 176.300 0.001 0.000 1.147 444 D CA 0.268 54.271 54.000 0.005 0.000 0.879 444 D CB 0.852 41.654 40.800 0.003 0.000 1.179 444 D HN 0.383 nan 8.370 nan 0.000 0.456 445 I N 0.353 120.922 120.570 -0.003 0.000 5.699 445 I HA -0.355 3.815 4.170 -0.000 0.000 0.195 445 I C 1.257 177.371 176.117 -0.005 0.000 1.815 445 I CA 0.401 61.697 61.300 -0.007 0.000 2.028 445 I CB -1.352 36.643 38.000 -0.008 0.000 3.376 445 I HN 0.363 nan 8.210 nan 0.000 0.177 446 Q N 1.904 121.704 119.800 -0.001 0.000 2.360 446 Q HA 0.101 4.441 4.340 -0.000 0.000 0.202 446 Q C 1.040 177.040 176.000 0.001 0.000 0.915 446 Q CA 1.035 56.839 55.803 0.002 0.000 0.943 446 Q CB 0.202 28.945 28.738 0.007 0.000 1.064 446 Q HN 0.717 nan 8.270 nan 0.000 0.511 447 T N -2.297 112.253 114.554 -0.007 0.000 2.824 447 T HA 0.473 4.823 4.350 -0.000 0.000 0.277 447 T C -0.547 174.137 174.700 -0.027 0.000 0.975 447 T CA -0.555 61.533 62.100 -0.019 0.000 0.966 447 T CB 1.139 69.993 68.868 -0.024 0.000 1.054 447 T HN 0.307 nan 8.240 nan 0.000 0.533 448 K N 0.094 120.466 120.400 -0.046 0.000 6.438 448 K HA -0.122 4.198 4.320 -0.000 0.000 0.670 448 K C -0.482 176.093 176.600 -0.042 0.000 2.469 448 K CA 0.253 56.511 56.287 -0.049 0.000 1.912 448 K CB -0.462 32.018 32.500 -0.034 0.000 2.814 448 K HN 1.028 nan 8.250 nan 0.000 0.250 449 E N 0.585 120.755 120.200 -0.049 0.000 2.555 449 E HA -0.120 4.230 4.350 -0.000 0.000 0.236 449 E C -1.006 175.568 176.600 -0.043 0.000 1.233 449 E CA 0.552 56.935 56.400 -0.029 0.000 1.423 449 E CB -0.957 28.742 29.700 -0.002 0.000 2.014 449 E HN 0.659 nan 8.360 nan 0.000 0.610 450 E N 0.819 121.029 120.200 0.017 0.000 3.312 450 E HA 0.356 4.706 4.350 -0.000 0.000 0.215 450 E C -0.610 176.169 176.600 0.298 0.000 1.160 450 E CA -0.301 56.158 56.400 0.100 0.000 1.267 450 E CB -0.691 29.110 29.700 0.168 0.000 1.361 450 E HN 0.565 nan 8.360 nan 0.000 0.433 451 Y N 0.054 120.339 120.300 -0.025 0.000 4.916 451 Y HA -0.424 4.126 4.550 -0.000 0.000 0.247 451 Y C 1.354 177.241 175.900 -0.021 0.000 0.962 451 Y CA 1.136 59.220 58.100 -0.027 0.000 1.933 451 Y CB -1.024 37.419 38.460 -0.028 0.000 1.451 451 Y HN 0.317 nan 8.280 nan 0.000 0.539 452 E N -1.873 118.416 120.200 0.147 0.000 5.171 452 E HA -0.272 4.078 4.350 -0.000 0.000 0.184 452 E C 0.416 177.055 176.600 0.065 0.000 1.101 452 E CA 1.518 57.963 56.400 0.075 0.000 2.026 452 E CB -1.373 28.354 29.700 0.046 0.000 1.810 452 E HN 0.465 nan 8.360 nan 0.000 0.414 453 S N -3.050 112.697 115.700 0.080 0.000 2.655 453 S HA 0.604 5.074 4.470 -0.000 0.000 0.266 453 S C 0.376 174.986 174.600 0.017 0.000 1.149 453 S CA -0.068 58.153 58.200 0.036 0.000 0.818 453 S CB 1.322 64.537 63.200 0.025 0.000 1.130 453 S HN 0.275 nan 8.310 nan 0.000 0.476 454 A N 1.004 123.815 122.820 -0.015 0.000 1.828 454 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 454 A C 1.899 179.470 177.584 -0.022 0.000 1.203 454 A CA 2.372 54.383 52.037 -0.044 0.000 0.614 454 A CB -1.076 17.899 19.000 -0.041 0.000 0.844 454 A HN 0.711 nan 8.150 nan 0.000 0.445 455 M N -0.262 119.336 119.600 -0.004 0.000 2.110 455 M HA -0.072 4.408 4.480 -0.000 0.000 0.257 455 M C 1.319 177.636 176.300 0.029 0.000 1.071 455 M CA 1.332 56.637 55.300 0.008 0.000 1.096 455 M CB -0.702 31.904 32.600 0.010 0.000 1.300 455 M HN 0.533 nan 8.290 nan 0.000 0.411 456 I N 2.439 123.035 120.570 0.043 0.000 2.471 456 I HA 0.263 4.433 4.170 -0.000 0.000 0.286 456 I C -0.468 175.736 176.117 0.144 0.000 1.079 456 I CA -0.499 60.841 61.300 0.067 0.000 1.398 456 I CB 0.284 38.315 38.000 0.050 0.000 1.403 456 I HN 0.272 nan 8.210 nan 0.000 0.530 457 I N 3.168 123.845 120.570 0.177 0.000 2.846 457 I HA 0.465 4.635 4.170 -0.000 0.000 0.307 457 I C 0.037 176.138 176.117 -0.027 0.000 1.053 457 I CA -0.716 60.858 61.300 0.457 0.000 1.050 457 I CB 2.069 40.374 38.000 0.509 0.000 1.239 457 I HN 0.445 nan 8.210 nan 0.000 0.439 458 S N 1.743 117.016 115.700 -0.711 0.000 2.505 458 S HA 0.252 4.722 4.470 -0.000 0.000 0.216 458 S C -0.317 173.934 174.600 -0.581 0.000 1.018 458 S CA -0.017 57.798 58.200 -0.642 0.000 0.911 458 S CB -0.396 62.451 63.200 -0.587 0.000 0.818 458 S HN 0.914 nan 8.310 nan 0.000 0.497 459 N N 1.111 119.419 118.700 -0.654 0.000 2.929 459 N HA 0.298 5.038 4.740 -0.000 0.000 0.245 459 N C -0.669 174.752 175.510 -0.148 0.000 1.081 459 N CA -0.646 52.213 53.050 -0.318 0.000 1.048 459 N CB 0.723 39.049 38.487 -0.268 0.000 1.629 459 N HN 0.067 nan 8.380 nan 0.000 0.598 460 N N 0.099 118.711 118.700 -0.146 0.000 2.602 460 N HA 0.041 4.781 4.740 -0.000 0.000 0.361 460 N C -0.281 175.108 175.510 -0.203 0.000 1.005 460 N CA 0.537 53.518 53.050 -0.115 0.000 1.784 460 N CB -0.366 38.082 38.487 -0.064 0.000 0.718 460 N HN 0.690 nan 8.380 nan 0.000 1.682 461 T N 1.480 115.874 114.554 -0.267 0.000 3.760 461 T HA -0.278 4.072 4.350 -0.000 0.000 0.366 461 T C 0.619 174.976 174.700 -0.573 0.000 0.761 461 T CA 2.069 63.920 62.100 -0.415 0.000 1.887 461 T CB -1.896 66.715 68.868 -0.429 0.000 1.811 461 T HN 0.757 nan 8.240 nan 0.000 0.749 462 N N 0.200 118.654 118.700 -0.410 0.000 1.938 462 N HA -0.312 4.428 4.740 -0.000 0.000 0.149 462 N C 0.631 175.966 175.510 -0.292 0.000 0.379 462 N CA 3.004 55.831 53.050 -0.370 0.000 1.362 462 N CB -1.493 36.726 38.487 -0.447 0.000 1.333 462 N HN 0.872 nan 8.380 nan 0.000 0.412 463 F N 2.615 122.554 119.950 -0.018 0.000 2.646 463 F HA 0.175 4.702 4.527 -0.000 0.000 0.320 463 F C 0.945 176.760 175.800 0.025 0.000 1.307 463 F CA 0.040 58.057 58.000 0.027 0.000 1.431 463 F CB -1.527 37.444 39.000 -0.048 0.000 1.297 463 F HN 0.153 nan 8.300 nan 0.000 0.556 464 K N -0.303 120.114 120.400 0.028 0.000 2.234 464 K HA 0.144 4.464 4.320 -0.000 0.000 0.251 464 K C 1.019 177.599 176.600 -0.035 0.000 1.011 464 K CA 0.242 56.503 56.287 -0.045 0.000 0.889 464 K CB 0.129 32.565 32.500 -0.106 0.000 1.011 464 K HN 0.444 nan 8.250 nan 0.000 0.505 465 S N -0.598 114.942 115.700 -0.265 0.000 3.549 465 S HA -0.156 4.314 4.470 -0.000 0.000 0.366 465 S C -0.221 174.433 174.600 0.090 0.000 1.012 465 S CA 0.946 59.006 58.200 -0.234 0.000 1.141 465 S CB -1.362 61.936 63.200 0.164 0.000 0.910 465 S HN 0.551 nan 8.310 nan 0.000 0.471 466 M N 1.252 120.795 119.600 -0.095 0.000 2.436 466 M HA 0.467 4.947 4.480 -0.000 0.000 0.331 466 M C -0.394 175.985 176.300 0.131 0.000 1.135 466 M CA -0.614 54.791 55.300 0.174 0.000 0.987 466 M CB 1.214 33.944 32.600 0.217 0.000 1.687 466 M HN 0.313 nan 8.290 nan 0.000 0.445 467 Y N 2.819 123.137 120.300 0.029 0.000 2.404 467 Y HA 0.370 4.920 4.550 -0.000 0.000 0.344 467 Y C 0.504 176.236 175.900 -0.279 0.000 0.995 467 Y CA -0.192 57.885 58.100 -0.039 0.000 1.201 467 Y CB 0.109 38.530 38.460 -0.065 0.000 1.151 467 Y HN 0.455 nan 8.280 nan 0.000 0.517 468 I N 4.208 124.618 120.570 -0.266 0.000 2.662 468 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 468 I C -0.247 175.779 176.117 -0.151 0.000 1.046 468 I CA -0.395 60.632 61.300 -0.455 0.000 1.361 468 I CB 0.541 38.280 38.000 -0.435 0.000 1.429 468 I HN 0.654 nan 8.210 nan 0.000 0.558 469 C N 2.181 121.409 119.300 -0.121 0.000 3.178 469 C HA 0.545 5.005 4.460 -0.000 0.000 0.428 469 C C 0.150 175.148 174.990 0.014 0.000 0.967 469 C CA -1.075 57.939 59.018 -0.007 0.000 1.205 469 C CB 0.040 27.779 27.740 -0.002 0.000 1.584 469 C HN 1.051 nan 8.230 nan 0.000 0.591 470 G N 2.438 111.259 108.800 0.035 0.000 2.690 470 G HA2 0.555 4.515 3.960 -0.000 0.000 0.239 470 G HA3 0.555 4.515 3.960 -0.000 0.000 0.239 470 G C 0.000 174.924 174.900 0.040 0.000 1.233 470 G CA 0.613 45.737 45.100 0.040 0.000 0.847 470 G HN 2.365 nan 8.290 nan 0.000 0.588 471 S N 0.509 116.236 115.700 0.046 0.000 2.563 471 S HA 0.398 4.867 4.470 -0.000 0.000 0.279 471 S C -1.031 173.599 174.600 0.049 0.000 1.155 471 S CA -0.998 57.231 58.200 0.049 0.000 0.928 471 S CB 1.597 64.833 63.200 0.060 0.000 1.107 471 S HN 0.919 nan 8.310 nan 0.000 0.462 472 L N 3.634 124.886 121.223 0.049 0.000 2.276 472 L HA 0.543 4.883 4.340 -0.000 0.000 0.286 472 L C 0.171 177.073 176.870 0.054 0.000 1.061 472 L CA -0.076 54.792 54.840 0.047 0.000 0.807 472 L CB 1.053 43.138 42.059 0.043 0.000 1.177 472 L HN 1.145 nan 8.230 nan 0.000 0.429 473 Q N 4.285 124.116 119.800 0.051 0.000 2.340 473 Q HA 0.224 4.564 4.340 -0.000 0.000 0.249 473 Q C 0.597 176.635 176.000 0.063 0.000 0.957 473 Q CA -0.006 55.829 55.803 0.055 0.000 0.882 473 Q CB 1.408 30.174 28.738 0.046 0.000 1.235 473 Q HN 0.725 nan 8.270 nan 0.000 0.439 474 R N 3.174 123.720 120.500 0.075 0.000 1.860 474 R HA 0.156 4.496 4.340 -0.000 0.000 0.139 474 R C 0.284 176.644 176.300 0.098 0.000 0.745 474 R CA 2.133 58.289 56.100 0.094 0.000 1.556 474 R CB -0.430 29.944 30.300 0.123 0.000 0.584 474 R HN 0.993 nan 8.270 nan 0.000 0.653 475 A N -4.043 118.859 122.820 0.137 0.000 2.614 475 A HA -0.037 4.282 4.320 -0.000 0.000 0.216 475 A C 0.765 178.487 177.584 0.231 0.000 2.710 475 A CA 0.545 52.666 52.037 0.140 0.000 1.666 475 A CB -1.819 17.234 19.000 0.088 0.000 0.202 475 A HN 0.783 nan 8.150 nan 0.000 0.542 476 W N -0.603 120.706 121.300 0.015 0.000 2.236 476 W HA -0.446 4.214 4.660 -0.000 0.000 0.308 476 W C 1.292 177.818 176.519 0.013 0.000 1.844 476 W CA 3.319 60.672 57.345 0.013 0.000 2.021 476 W CB -1.711 27.757 29.460 0.014 0.000 0.931 476 W HN 0.947 nan 8.180 nan 0.000 0.455 477 G N 0.402 109.219 108.800 0.029 0.000 2.572 477 G HA2 0.081 4.041 3.960 -0.000 0.000 0.214 477 G HA3 0.081 4.041 3.960 -0.000 0.000 0.214 477 G C 0.698 175.615 174.900 0.028 0.000 1.246 477 G CA 1.458 46.499 45.100 -0.097 0.000 0.835 477 G HN 0.427 nan 8.290 nan 0.000 0.551 478 N N -1.488 117.279 118.700 0.111 0.000 3.574 478 N HA 0.280 5.020 4.740 -0.000 0.000 0.340 478 N C -1.293 174.274 175.510 0.095 0.000 1.650 478 N CA -0.592 52.507 53.050 0.081 0.000 0.762 478 N CB 0.928 39.451 38.487 0.061 0.000 2.206 478 N HN 0.162 nan 8.380 nan 0.000 0.621 479 K N 0.706 121.152 120.400 0.077 0.000 7.323 479 K HA -0.185 4.135 4.320 -0.000 0.000 0.689 479 K C -0.432 176.210 176.600 0.070 0.000 2.565 479 K CA 0.774 57.108 56.287 0.078 0.000 1.883 479 K CB -0.046 32.512 32.500 0.098 0.000 1.982 479 K HN 0.464 nan 8.250 nan 0.000 0.295 480 K N 0.783 121.220 120.400 0.061 0.000 2.918 480 K HA 0.390 4.710 4.320 -0.000 0.000 0.318 480 K C 0.005 176.634 176.600 0.048 0.000 0.995 480 K CA -0.126 56.192 56.287 0.051 0.000 1.187 480 K CB 0.389 32.916 32.500 0.044 0.000 1.413 480 K HN 0.399 nan 8.250 nan 0.000 0.556 481 V N 2.682 122.621 119.914 0.042 0.000 5.239 481 V HA -0.274 3.846 4.120 -0.000 0.000 0.368 481 V C 1.126 177.242 176.094 0.037 0.000 0.692 481 V CA 0.948 63.272 62.300 0.039 0.000 1.396 481 V CB -1.326 30.521 31.823 0.040 0.000 1.652 481 V HN 0.974 nan 8.190 nan 0.000 0.463 482 S N 4.030 119.752 115.700 0.037 0.000 2.208 482 S HA -0.452 4.018 4.470 -0.000 0.000 0.433 482 S C 1.427 176.049 174.600 0.036 0.000 0.994 482 S CA 2.843 61.066 58.200 0.039 0.000 2.516 482 S CB -0.729 62.495 63.200 0.040 0.000 1.857 482 S HN 2.457 nan 8.310 nan 0.000 0.498 483 N N -1.893 116.831 118.700 0.040 0.000 2.683 483 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 483 N C 0.675 176.215 175.510 0.050 0.000 1.509 483 N CA 2.378 55.452 53.050 0.039 0.000 2.533 483 N CB -1.444 37.059 38.487 0.026 0.000 0.965 483 N HN 0.901 nan 8.380 nan 0.000 0.576 484 T N -1.489 113.104 114.554 0.066 0.000 2.709 484 T HA 0.692 5.042 4.350 -0.000 0.000 0.147 484 T C -1.235 173.561 174.700 0.160 0.000 0.821 484 T CA 2.020 64.178 62.100 0.097 0.000 0.830 484 T CB -0.020 68.895 68.868 0.078 0.000 2.347 484 T HN 1.520 nan 8.240 nan 0.000 0.351 485 A N 0.498 123.438 122.820 0.199 0.000 2.302 485 A HA 0.203 4.523 4.320 -0.000 0.000 0.634 485 A C -0.808 176.968 177.584 0.320 0.000 0.278 485 A CA 0.168 52.336 52.037 0.219 0.000 0.218 485 A CB -2.168 16.898 19.000 0.109 0.000 3.675 485 A HN 0.754 nan 8.150 nan 0.000 0.507 486 F N 2.118 122.067 119.950 -0.002 0.000 2.730 486 F HA 0.636 5.163 4.527 -0.000 0.000 0.335 486 F C 0.303 176.176 175.800 0.122 0.000 1.212 486 F CA -0.007 57.942 58.000 -0.085 0.000 1.016 486 F CB 1.617 40.307 39.000 -0.516 0.000 1.290 486 F HN 0.868 nan 8.300 nan 0.000 0.495 487 I N -0.340 120.317 120.570 0.145 0.000 3.294 487 I HA 0.979 5.149 4.170 -0.000 0.000 0.311 487 I C -0.485 175.717 176.117 0.143 0.000 1.111 487 I CA -0.641 60.740 61.300 0.135 0.000 0.976 487 I CB 2.536 40.428 38.000 -0.179 0.000 1.260 487 I HN 0.514 nan 8.210 nan 0.000 0.474 488 T N -0.256 114.420 114.554 0.203 0.000 2.669 488 T HA 0.264 4.614 4.350 -0.000 0.000 0.283 488 T C -1.646 173.327 174.700 0.456 0.000 1.967 488 T CA 0.101 62.342 62.100 0.235 0.000 0.941 488 T CB 1.029 70.056 68.868 0.265 0.000 2.124 488 T HN 1.123 nan 8.240 nan 0.000 0.439 489 T N 0.681 115.422 114.554 0.311 0.000 2.906 489 T HA 0.829 5.179 4.350 -0.000 0.000 0.302 489 T C -0.700 174.054 174.700 0.091 0.000 1.002 489 T CA 0.640 62.849 62.100 0.182 0.000 0.988 489 T CB 0.140 69.068 68.868 0.100 0.000 0.972 489 T HN 1.407 nan 8.240 nan 0.000 0.447 490 A N 3.357 126.209 122.820 0.052 0.000 2.511 490 A HA 0.737 5.057 4.320 -0.000 0.000 0.293 490 A C -0.400 177.188 177.584 0.006 0.000 1.098 490 A CA -0.933 51.126 52.037 0.037 0.000 0.643 490 A CB 0.735 19.780 19.000 0.076 0.000 1.302 490 A HN 0.685 nan 8.150 nan 0.000 0.446 491 T N 1.573 116.129 114.554 0.003 0.000 2.832 491 T HA 0.445 4.795 4.350 -0.000 0.000 0.296 491 T C 0.712 175.410 174.700 -0.004 0.000 0.968 491 T CA 0.424 62.517 62.100 -0.012 0.000 1.107 491 T CB 0.743 69.603 68.868 -0.012 0.000 0.916 491 T HN 1.574 nan 8.240 nan 0.000 0.517 492 V N 0.824 120.727 119.914 -0.018 0.000 2.955 492 V HA 0.399 4.519 4.120 -0.000 0.000 0.379 492 V C 0.523 176.602 176.094 -0.025 0.000 1.288 492 V CA -0.838 61.449 62.300 -0.020 0.000 1.358 492 V CB -0.947 30.855 31.823 -0.036 0.000 1.406 492 V HN 0.667 nan 8.190 nan 0.000 0.569 493 K N 1.798 122.188 120.400 -0.018 0.000 2.447 493 K HA 0.170 4.490 4.320 -0.000 0.000 0.281 493 K C 0.708 177.298 176.600 -0.017 0.000 1.031 493 K CA 0.586 56.863 56.287 -0.018 0.000 1.019 493 K CB 0.206 32.699 32.500 -0.013 0.000 0.918 493 K HN 0.723 nan 8.250 nan 0.000 0.476 494 E N 1.696 121.883 120.200 -0.021 0.000 4.788 494 E HA -0.287 4.062 4.350 -0.000 0.000 0.194 494 E C -0.364 176.222 176.600 -0.024 0.000 1.477 494 E CA 1.301 57.689 56.400 -0.020 0.000 2.443 494 E CB -0.323 29.371 29.700 -0.011 0.000 2.075 494 E HN 0.792 nan 8.360 nan 0.000 0.466 495 N N 0.931 119.620 118.700 -0.018 0.000 2.421 495 N HA 0.056 4.796 4.740 -0.000 0.000 0.201 495 N C -0.207 175.302 175.510 -0.002 0.000 1.198 495 N CA 0.506 53.544 53.050 -0.020 0.000 0.838 495 N CB 0.001 38.481 38.487 -0.011 0.000 1.011 495 N HN 0.168 nan 8.380 nan 0.000 0.463 496 K N 0.136 120.537 120.400 0.002 0.000 2.240 496 K HA 0.522 4.842 4.320 -0.000 0.000 0.237 496 K C -0.062 176.554 176.600 0.026 0.000 1.027 496 K CA -0.589 55.710 56.287 0.020 0.000 0.937 496 K CB 1.544 34.054 32.500 0.016 0.000 1.171 496 K HN -0.109 nan 8.250 nan 0.000 0.479 497 L N 2.655 123.906 121.223 0.047 0.000 2.392 497 L HA 0.284 4.624 4.340 -0.000 0.000 0.262 497 L C -0.756 176.152 176.870 0.064 0.000 1.498 497 L CA -0.368 54.509 54.840 0.062 0.000 0.820 497 L CB 0.686 42.809 42.059 0.106 0.000 0.990 497 L HN 0.588 nan 8.230 nan 0.000 0.520 498 I N 0.067 120.663 120.570 0.043 0.000 2.634 498 I HA 0.413 4.583 4.170 -0.000 0.000 0.284 498 I C -2.176 173.969 176.117 0.047 0.000 1.124 498 I CA -1.566 59.758 61.300 0.040 0.000 1.417 498 I CB 0.634 38.649 38.000 0.024 0.000 1.396 498 I HN 0.201 nan 8.210 nan 0.000 0.571 499 P HA 0.145 nan 4.420 nan 0.000 0.286 499 P C -0.778 176.546 177.300 0.041 0.000 1.269 499 P CA -0.252 62.884 63.100 0.060 0.000 0.787 499 P CB 1.679 33.423 31.700 0.073 0.000 0.920 500 S N 2.374 118.095 115.700 0.035 0.000 2.549 500 S HA 0.272 4.742 4.470 -0.000 0.000 0.297 500 S C 0.927 175.545 174.600 0.030 0.000 1.115 500 S CA -0.639 57.572 58.200 0.019 0.000 1.059 500 S CB 0.649 63.847 63.200 -0.003 0.000 1.046 500 S HN 0.405 nan 8.310 nan 0.000 0.506 501 N N 1.670 120.386 118.700 0.027 0.000 2.454 501 N HA 0.013 4.753 4.740 -0.000 0.000 0.177 501 N C 0.302 175.838 175.510 0.044 0.000 1.049 501 N CA 0.469 53.544 53.050 0.042 0.000 0.887 501 N CB 0.259 38.765 38.487 0.032 0.000 1.095 501 N HN 0.628 nan 8.380 nan 0.000 0.446 502 T N 1.040 115.607 114.554 0.021 0.000 2.761 502 T HA 0.277 4.627 4.350 -0.000 0.000 0.296 502 T C 0.034 174.723 174.700 -0.018 0.000 0.934 502 T CA -0.435 61.675 62.100 0.016 0.000 1.091 502 T CB -0.218 68.653 68.868 0.005 0.000 0.896 502 T HN 0.119 nan 8.240 nan 0.000 0.515 503 I N 5.520 126.073 120.570 -0.028 0.000 2.315 503 I HA 0.425 4.595 4.170 -0.000 0.000 0.291 503 I C -0.335 175.690 176.117 -0.154 0.000 1.006 503 I CA -0.257 60.957 61.300 -0.143 0.000 1.265 503 I CB 0.396 38.213 38.000 -0.305 0.000 1.387 503 I HN 0.630 nan 8.210 nan 0.000 0.475 504 D N 5.156 125.451 120.400 -0.175 0.000 2.581 504 D HA 0.101 4.741 4.640 -0.000 0.000 0.232 504 D C 0.236 176.415 176.300 -0.201 0.000 1.143 504 D CA -0.365 53.544 54.000 -0.151 0.000 0.881 504 D CB 1.972 42.715 40.800 -0.095 0.000 1.500 504 D HN 0.671 nan 8.370 nan 0.000 0.458 505 Q N -0.125 119.569 119.800 -0.176 0.000 2.592 505 Q HA -0.141 4.199 4.340 -0.000 0.000 0.219 505 Q C 0.708 176.599 176.000 -0.181 0.000 0.984 505 Q CA 1.255 56.944 55.803 -0.190 0.000 0.911 505 Q CB -0.710 27.951 28.738 -0.128 0.000 0.962 505 Q HN 0.334 nan 8.270 nan 0.000 0.532 506 T N -3.251 111.205 114.554 -0.164 0.000 3.176 506 T HA 0.380 4.730 4.350 -0.000 0.000 0.263 506 T C -0.002 174.611 174.700 -0.144 0.000 1.021 506 T CA -0.633 61.386 62.100 -0.134 0.000 0.905 506 T CB 0.352 69.163 68.868 -0.094 0.000 1.057 506 T HN 0.083 nan 8.240 nan 0.000 0.558 507 K N 2.735 123.010 120.400 -0.207 0.000 3.098 507 K HA 0.384 4.704 4.320 -0.000 0.000 0.170 507 K C -0.728 175.698 176.600 -0.290 0.000 1.106 507 K CA -0.426 55.750 56.287 -0.186 0.000 0.864 507 K CB 0.788 33.202 32.500 -0.144 0.000 1.047 507 K HN 0.430 nan 8.250 nan 0.000 0.609 508 I N -0.602 119.787 120.570 -0.301 0.000 2.714 508 I HA 0.584 4.754 4.170 -0.000 0.000 0.276 508 I C -0.295 175.807 176.117 -0.026 0.000 1.196 508 I CA -0.934 60.091 61.300 -0.459 0.000 1.068 508 I CB 0.615 38.043 38.000 -0.952 0.000 1.291 508 I HN 0.153 nan 8.210 nan 0.000 0.530 509 A N 6.216 129.140 122.820 0.172 0.000 2.252 509 A HA 0.982 5.302 4.320 -0.000 0.000 0.305 509 A C 0.066 177.826 177.584 0.293 0.000 1.097 509 A CA -0.390 51.752 52.037 0.174 0.000 0.849 509 A CB 1.466 20.533 19.000 0.111 0.000 1.142 509 A HN 0.885 nan 8.150 nan 0.000 0.499 510 I N -4.374 116.302 120.570 0.176 0.000 3.437 510 I HA 0.799 4.969 4.170 -0.000 0.000 0.319 510 I C -1.656 174.536 176.117 0.126 0.000 1.259 510 I CA -0.995 60.454 61.300 0.248 0.000 0.927 510 I CB 1.570 39.698 38.000 0.214 0.000 1.322 510 I HN 0.431 nan 8.210 nan 0.000 0.473 511 F N 0.883 120.876 119.950 0.072 0.000 2.565 511 F HA 0.710 5.237 4.527 -0.000 0.000 0.313 511 F C 0.014 175.813 175.800 -0.003 0.000 1.091 511 F CA -0.210 57.798 58.000 0.014 0.000 0.915 511 F CB 2.107 41.083 39.000 -0.041 0.000 1.208 511 F HN 0.472 nan 8.300 nan 0.000 0.453 512 Q N 0.477 120.327 119.800 0.083 0.000 2.893 512 Q HA 0.244 4.584 4.340 -0.000 0.000 0.331 512 Q C -1.684 174.273 176.000 -0.072 0.000 0.893 512 Q CA -0.494 55.318 55.803 0.015 0.000 0.783 512 Q CB 2.376 31.101 28.738 -0.022 0.000 1.440 512 Q HN 0.565 nan 8.270 nan 0.000 0.508 513 D N 0.704 121.022 120.400 -0.138 0.000 2.886 513 D HA 0.198 4.838 4.640 -0.000 0.000 0.355 513 D C -0.076 176.032 176.300 -0.319 0.000 1.274 513 D CA -0.041 53.762 54.000 -0.328 0.000 0.836 513 D CB 0.133 40.823 40.800 -0.182 0.000 1.109 513 D HN 0.329 nan 8.370 nan 0.000 0.488 514 N N 0.530 119.077 118.700 -0.255 0.000 2.025 514 N HA -0.036 4.704 4.740 -0.000 0.000 0.194 514 N C 0.053 175.564 175.510 0.002 0.000 1.069 514 N CA 1.020 54.009 53.050 -0.102 0.000 0.855 514 N CB -0.413 38.040 38.487 -0.057 0.000 1.054 514 N HN 0.467 nan 8.380 nan 0.000 0.427 515 H N -2.312 116.764 119.070 0.010 0.000 4.396 515 H HA -0.194 4.362 4.556 -0.000 0.000 0.255 515 H C -0.291 175.047 175.328 0.017 0.000 0.574 515 H CA 0.085 56.143 56.048 0.016 0.000 0.744 515 H CB -0.429 29.348 29.762 0.025 0.000 0.934 515 H HN 0.144 nan 8.280 nan 0.000 0.417 516 V N 1.819 121.816 119.914 0.138 0.000 3.726 516 V HA -0.302 3.818 4.120 -0.000 0.000 0.523 516 V C 1.312 177.441 176.094 0.058 0.000 0.682 516 V CA 1.205 63.549 62.300 0.072 0.000 2.072 516 V CB -0.096 31.775 31.823 0.080 0.000 2.478 516 V HN 0.928 nan 8.190 nan 0.000 0.514 517 N N 5.872 124.594 118.700 0.037 0.000 2.571 517 N HA -0.134 4.606 4.740 -0.000 0.000 0.189 517 N C 1.489 177.015 175.510 0.027 0.000 1.154 517 N CA 0.949 54.015 53.050 0.026 0.000 0.907 517 N CB -0.149 38.348 38.487 0.016 0.000 0.977 517 N HN 0.879 nan 8.380 nan 0.000 0.449 518 R N 1.187 121.710 120.500 0.040 0.000 2.341 518 R HA -0.187 4.153 4.340 -0.000 0.000 0.213 518 R C -0.346 175.980 176.300 0.043 0.000 1.082 518 R CA 1.163 57.292 56.100 0.047 0.000 1.017 518 R CB -0.383 29.959 30.300 0.069 0.000 0.860 518 R HN 0.239 nan 8.270 nan 0.000 0.473 519 D N -0.671 119.744 120.400 0.026 0.000 3.017 519 D HA -0.135 4.505 4.640 -0.000 0.000 0.220 519 D C -0.482 175.801 176.300 -0.028 0.000 1.141 519 D CA 0.743 54.740 54.000 -0.005 0.000 0.848 519 D CB -1.366 39.428 40.800 -0.010 0.000 1.102 519 D HN 0.148 nan 8.370 nan 0.000 0.427 520 V N -0.921 119.002 119.914 0.016 0.000 2.681 520 V HA 0.132 4.252 4.120 -0.000 0.000 0.306 520 V C 1.133 177.070 176.094 -0.262 0.000 1.077 520 V CA 0.898 63.213 62.300 0.024 0.000 1.224 520 V CB 0.543 32.471 31.823 0.175 0.000 0.879 520 V HN 0.407 nan 8.190 nan 0.000 0.494 521 Q N 2.301 121.655 119.800 -0.745 0.000 2.990 521 Q HA 0.405 4.745 4.340 -0.000 0.000 0.255 521 Q C 0.076 175.399 176.000 -1.128 0.000 1.040 521 Q CA -0.217 55.085 55.803 -0.834 0.000 0.897 521 Q CB 0.318 28.635 28.738 -0.702 0.000 1.429 521 Q HN 0.833 nan 8.270 nan 0.000 0.497 522 T N 0.425 114.531 114.554 -0.747 0.000 2.980 522 T HA -0.165 4.185 4.350 -0.000 0.000 0.455 522 T C 0.459 175.034 174.700 -0.208 0.000 0.775 522 T CA 1.048 62.874 62.100 -0.457 0.000 2.318 522 T CB -1.394 67.181 68.868 -0.488 0.000 1.636 522 T HN 0.628 nan 8.240 nan 0.000 0.543 523 S N 0.556 116.177 115.700 -0.132 0.000 2.184 523 S HA 0.155 4.625 4.470 -0.000 0.000 0.202 523 S C 1.004 175.635 174.600 0.052 0.000 1.373 523 S CA 0.003 58.196 58.200 -0.012 0.000 1.117 523 S CB 0.030 63.212 63.200 -0.031 0.000 0.715 523 S HN 0.813 nan 8.310 nan 0.000 0.427 524 D N 0.381 120.811 120.400 0.050 0.000 2.303 524 D HA -0.084 4.556 4.640 -0.000 0.000 0.205 524 D C 0.308 176.656 176.300 0.079 0.000 1.336 524 D CA 1.411 55.450 54.000 0.066 0.000 0.845 524 D CB 0.246 41.085 40.800 0.064 0.000 1.226 524 D HN 0.374 nan 8.370 nan 0.000 0.571 525 D N -2.259 118.189 120.400 0.081 0.000 2.979 525 D HA 0.252 4.892 4.640 -0.000 0.000 0.184 525 D C -0.320 176.036 176.300 0.095 0.000 1.417 525 D CA 0.363 54.414 54.000 0.085 0.000 1.527 525 D CB 0.013 40.858 40.800 0.074 0.000 1.199 525 D HN 0.439 nan 8.370 nan 0.000 0.198 526 T N 0.500 115.105 114.554 0.084 0.000 2.949 526 T HA 0.812 5.162 4.350 -0.000 0.000 0.287 526 T C -0.414 174.327 174.700 0.069 0.000 1.034 526 T CA -0.759 61.392 62.100 0.085 0.000 1.018 526 T CB 1.838 70.752 68.868 0.076 0.000 1.135 526 T HN 0.288 nan 8.240 nan 0.000 0.532 527 L N -2.062 119.196 121.223 0.058 0.000 2.672 527 L HA 0.901 5.241 4.340 -0.000 0.000 0.256 527 L C -0.354 176.529 176.870 0.021 0.000 0.946 527 L CA -1.401 53.461 54.840 0.037 0.000 0.889 527 L CB 0.979 43.055 42.059 0.029 0.000 1.441 527 L HN 0.801 nan 8.230 nan 0.000 0.418 528 A N 2.316 125.149 122.820 0.021 0.000 3.774 528 A HA 0.970 5.290 4.320 -0.000 0.000 0.171 528 A C -0.538 177.087 177.584 0.068 0.000 1.655 528 A CA -0.543 51.510 52.037 0.027 0.000 1.543 528 A CB 0.601 19.606 19.000 0.008 0.000 1.659 528 A HN 0.660 nan 8.150 nan 0.000 0.636 529 L N -0.711 120.601 121.223 0.149 0.000 2.562 529 L HA 0.372 4.712 4.340 -0.000 0.000 0.266 529 L C -0.751 176.362 176.870 0.405 0.000 0.949 529 L CA -0.287 54.732 54.840 0.298 0.000 0.879 529 L CB 2.091 44.451 42.059 0.502 0.000 1.278 529 L HN 0.577 nan 8.230 nan 0.000 0.404 530 L N 1.401 122.802 121.223 0.297 0.000 2.691 530 L HA 0.598 4.938 4.340 -0.000 0.000 0.185 530 L C 0.959 177.952 176.870 0.204 0.000 1.081 530 L CA 0.686 55.712 54.840 0.310 0.000 0.865 530 L CB -0.164 41.995 42.059 0.166 0.000 1.370 530 L HN 0.623 nan 8.230 nan 0.000 0.488 531 G N -2.522 106.305 108.800 0.045 0.000 3.247 531 G HA2 0.502 4.462 3.960 -0.000 0.000 0.199 531 G HA3 0.502 4.462 3.960 -0.000 0.000 0.199 531 G C -1.956 172.873 174.900 -0.119 0.000 1.172 531 G CA -0.052 45.010 45.100 -0.064 0.000 0.844 531 G HN -0.062 nan 8.290 nan 0.000 0.619 532 Y N -1.489 118.629 120.300 -0.304 0.000 2.779 532 Y HA 0.509 5.059 4.550 -0.000 0.000 0.340 532 Y C -1.132 174.644 175.900 -0.207 0.000 1.252 532 Y CA -0.767 57.114 58.100 -0.365 0.000 1.072 532 Y CB 1.040 39.190 38.460 -0.517 0.000 1.343 532 Y HN 0.585 nan 8.280 nan 0.000 0.450 533 T N 2.470 116.484 114.554 -0.900 0.000 2.738 533 T HA 0.395 4.745 4.350 -0.000 0.000 0.298 533 T C 0.399 174.761 174.700 -0.564 0.000 0.962 533 T CA 0.071 61.834 62.100 -0.562 0.000 0.972 533 T CB 0.470 69.117 68.868 -0.367 0.000 0.928 533 T HN 0.992 nan 8.240 nan 0.000 0.474 534 G N 3.868 112.527 108.800 -0.235 0.000 2.459 534 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.290 534 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.290 534 G C 0.836 175.646 174.900 -0.151 0.000 0.646 534 G CA -0.175 44.839 45.100 -0.142 0.000 2.078 534 G HN 0.969 nan 8.290 nan 0.000 0.508 535 I N 0.848 121.340 120.570 -0.130 0.000 3.425 535 I HA 0.447 4.617 4.170 -0.000 0.000 0.298 535 I C 1.127 177.198 176.117 -0.076 0.000 1.278 535 I CA -0.018 61.227 61.300 -0.090 0.000 1.475 535 I CB -0.883 37.114 38.000 -0.005 0.000 1.283 535 I HN 0.551 nan 8.210 nan 0.000 0.540 536 G N 3.308 112.047 108.800 -0.102 0.000 2.539 536 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.256 536 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.256 536 G C 0.063 174.920 174.900 -0.072 0.000 1.233 536 G CA 0.475 45.516 45.100 -0.098 0.000 0.936 536 G HN 0.639 nan 8.290 nan 0.000 0.571 537 E N 0.576 120.734 120.200 -0.070 0.000 2.303 537 E HA 0.364 4.714 4.350 -0.000 0.000 0.211 537 E C 0.201 176.747 176.600 -0.090 0.000 1.223 537 E CA 0.049 56.407 56.400 -0.070 0.000 1.344 537 E CB 0.069 29.736 29.700 -0.055 0.000 1.299 537 E HN 0.328 nan 8.360 nan 0.000 0.441 538 E N 0.558 120.703 120.200 -0.093 0.000 1.893 538 E HA 0.234 4.584 4.350 -0.000 0.000 0.269 538 E C -0.861 175.599 176.600 -0.234 0.000 1.129 538 E CA -0.325 55.998 56.400 -0.130 0.000 0.904 538 E CB 0.315 29.975 29.700 -0.067 0.000 1.077 538 E HN 0.276 nan 8.360 nan 0.000 0.407 539 A N 6.150 128.747 122.820 -0.373 0.000 2.618 539 A HA 0.064 4.384 4.320 -0.000 0.000 0.293 539 A C 0.405 177.515 177.584 -0.789 0.000 1.413 539 A CA -0.229 51.444 52.037 -0.607 0.000 1.074 539 A CB -0.994 17.509 19.000 -0.829 0.000 1.087 539 A HN 0.747 nan 8.150 nan 0.000 0.553 540 I N 1.295 121.562 120.570 -0.505 0.000 3.248 540 I HA -0.167 4.003 4.170 -0.000 0.000 0.344 540 I C 1.488 177.393 176.117 -0.354 0.000 1.190 540 I CA 1.969 63.026 61.300 -0.405 0.000 1.489 540 I CB -0.043 37.678 38.000 -0.464 0.000 1.285 540 I HN 1.007 nan 8.210 nan 0.000 0.516 541 G N 4.183 112.893 108.800 -0.149 0.000 2.140 541 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.211 541 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.211 541 G C 0.569 175.512 174.900 0.071 0.000 1.013 541 G CA 0.051 45.185 45.100 0.056 0.000 0.705 541 G HN 1.057 nan 8.290 nan 0.000 0.508 542 A N -0.630 122.172 122.820 -0.031 0.000 2.308 542 A HA 0.558 4.877 4.320 -0.000 0.000 0.217 542 A C 0.561 178.407 177.584 0.435 0.000 1.216 542 A CA 1.219 53.321 52.037 0.107 0.000 0.864 542 A CB 0.190 19.113 19.000 -0.129 0.000 0.902 542 A HN 0.623 nan 8.150 nan 0.000 0.499 543 D N -2.068 118.581 120.400 0.414 0.000 2.896 543 D HA 0.432 5.072 4.640 -0.000 0.000 0.241 543 D C 0.583 176.827 176.300 -0.094 0.000 1.188 543 D CA -0.798 53.312 54.000 0.183 0.000 0.879 543 D CB 1.051 41.896 40.800 0.075 0.000 1.553 543 D HN -0.070 nan 8.370 nan 0.000 0.515 544 R N 1.068 121.223 120.500 -0.575 0.000 2.096 544 R HA -0.170 4.170 4.340 -0.000 0.000 0.240 544 R C 1.058 177.227 176.300 -0.219 0.000 1.139 544 R CA 1.396 57.108 56.100 -0.646 0.000 0.952 544 R CB -0.183 29.752 30.300 -0.610 0.000 0.854 544 R HN 0.631 nan 8.270 nan 0.000 0.436 545 E N 0.360 120.477 120.200 -0.139 0.000 2.339 545 E HA -0.217 4.133 4.350 -0.000 0.000 0.201 545 E C 1.648 178.253 176.600 0.008 0.000 1.015 545 E CA 1.074 57.444 56.400 -0.050 0.000 0.841 545 E CB -0.008 29.673 29.700 -0.032 0.000 0.754 545 E HN 0.358 nan 8.360 nan 0.000 0.508 546 K N 0.321 120.741 120.400 0.034 0.000 2.308 546 K HA 0.097 4.417 4.320 -0.000 0.000 0.197 546 K C 0.344 177.026 176.600 0.136 0.000 1.049 546 K CA 0.022 56.365 56.287 0.094 0.000 0.991 546 K CB 0.866 33.430 32.500 0.106 0.000 0.836 546 K HN -0.104 nan 8.250 nan 0.000 0.500 547 V N 2.563 122.563 119.914 0.144 0.000 2.614 547 V HA 0.055 4.175 4.120 -0.000 0.000 0.291 547 V C 0.183 176.382 176.094 0.176 0.000 1.049 547 V CA -0.429 61.995 62.300 0.207 0.000 1.038 547 V CB 1.519 33.520 31.823 0.297 0.000 0.980 547 V HN -0.132 nan 8.190 nan 0.000 0.481 548 V N 6.859 126.921 119.914 0.245 0.000 2.385 548 V HA 0.374 4.493 4.120 -0.000 0.000 0.269 548 V C 0.473 176.774 176.094 0.344 0.000 1.043 548 V CA -0.581 61.882 62.300 0.271 0.000 0.906 548 V CB 0.880 32.888 31.823 0.308 0.000 0.995 548 V HN 0.928 nan 8.190 nan 0.000 0.467 549 R N 4.774 125.411 120.500 0.229 0.000 2.486 549 R HA 0.502 4.842 4.340 -0.000 0.000 0.286 549 R C 0.706 177.163 176.300 0.262 0.000 0.999 549 R CA -0.861 55.364 56.100 0.210 0.000 0.993 549 R CB 1.438 31.799 30.300 0.101 0.000 1.084 549 R HN 0.504 nan 8.270 nan 0.000 0.487 550 I N 0.479 121.222 120.570 0.289 0.000 3.030 550 I HA 0.077 4.247 4.170 -0.000 0.000 0.270 550 I C 0.644 176.833 176.117 0.120 0.000 1.211 550 I CA 1.593 63.044 61.300 0.253 0.000 1.479 550 I CB 0.080 38.263 38.000 0.305 0.000 1.105 550 I HN 1.017 nan 8.210 nan 0.000 0.447 551 G N -0.105 108.749 108.800 0.091 0.000 4.308 551 G HA2 0.074 4.034 3.960 -0.000 0.000 0.198 551 G HA3 0.074 4.034 3.960 -0.000 0.000 0.198 551 G C 0.002 174.925 174.900 0.038 0.000 0.980 551 G CA 0.181 45.312 45.100 0.052 0.000 0.961 551 G HN 0.040 nan 8.290 nan 0.000 0.318 552 V N 1.458 121.391 119.914 0.033 0.000 3.134 552 V HA 0.741 4.861 4.120 -0.000 0.000 0.313 552 V C -0.237 175.868 176.094 0.018 0.000 1.069 552 V CA -0.543 61.768 62.300 0.018 0.000 1.048 552 V CB 1.916 33.745 31.823 0.009 0.000 1.119 552 V HN 0.322 nan 8.190 nan 0.000 0.461 553 L N 4.591 125.822 121.223 0.013 0.000 2.457 553 L HA 0.524 4.864 4.340 -0.000 0.000 0.252 553 L C -2.312 174.581 176.870 0.038 0.000 1.132 553 L CA -1.717 53.137 54.840 0.024 0.000 0.938 553 L CB 0.987 43.049 42.059 0.005 0.000 1.246 553 L HN 0.488 nan 8.230 nan 0.000 0.476 554 P HA 0.322 nan 4.420 nan 0.000 0.267 554 P C -0.956 176.450 177.300 0.176 0.000 1.205 554 P CA 0.239 63.367 63.100 0.046 0.000 0.765 554 P CB 1.312 32.959 31.700 -0.088 0.000 0.828 555 E N 2.325 122.583 120.200 0.096 0.000 2.221 555 E HA 0.824 5.174 4.350 -0.000 0.000 0.242 555 E C -1.815 174.463 176.600 -0.536 0.000 1.218 555 E CA -1.253 55.162 56.400 0.025 0.000 0.912 555 E CB 0.390 30.195 29.700 0.175 0.000 1.771 555 E HN 0.459 nan 8.360 nan 0.000 0.490 556 A N -0.415 122.225 122.820 -0.301 0.000 2.560 556 A HA 0.700 5.020 4.320 -0.000 0.000 0.300 556 A C -0.288 177.270 177.584 -0.042 0.000 1.062 556 A CA -0.340 51.520 52.037 -0.296 0.000 0.767 556 A CB 0.901 19.501 19.000 -0.666 0.000 1.288 556 A HN 1.118 nan 8.150 nan 0.000 0.396 557 G N 0.186 108.995 108.800 0.014 0.000 2.511 557 G HA2 0.709 4.669 3.960 -0.000 0.000 0.316 557 G HA3 0.709 4.669 3.960 -0.000 0.000 0.316 557 G C 0.468 175.279 174.900 -0.148 0.000 1.210 557 G CA -0.055 44.915 45.100 -0.217 0.000 0.969 557 G HN 2.093 nan 8.290 nan 0.000 0.492 558 A N 0.971 123.604 122.820 -0.311 0.000 2.618 558 A HA 0.257 4.577 4.320 -0.000 0.000 0.293 558 A C 0.944 178.522 177.584 -0.010 0.000 1.413 558 A CA 0.010 51.942 52.037 -0.174 0.000 1.074 558 A CB -0.480 18.267 19.000 -0.422 0.000 1.087 558 A HN 0.487 nan 8.150 nan 0.000 0.553 559 R N 1.955 122.582 120.500 0.212 0.000 2.389 559 R HA 0.385 4.725 4.340 -0.000 0.000 0.295 559 R C 1.189 177.489 176.300 0.001 0.000 1.075 559 R CA 1.074 57.207 56.100 0.055 0.000 1.005 559 R CB 0.598 30.889 30.300 -0.015 0.000 0.987 559 R HN 1.246 nan 8.270 nan 0.000 0.452 560 G N 2.117 110.882 108.800 -0.058 0.000 2.641 560 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.254 560 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.254 560 G C 0.760 175.634 174.900 -0.044 0.000 1.315 560 G CA -0.179 44.879 45.100 -0.069 0.000 0.907 560 G HN 0.733 nan 8.290 nan 0.000 0.572 561 G N -0.063 108.726 108.800 -0.019 0.000 2.776 561 G HA2 0.139 4.099 3.960 -0.000 0.000 0.209 561 G HA3 0.139 4.099 3.960 -0.000 0.000 0.209 561 G C 0.663 175.614 174.900 0.085 0.000 1.145 561 G CA 0.742 45.851 45.100 0.015 0.000 0.791 561 G HN 0.704 nan 8.290 nan 0.000 0.530 562 N N 0.467 119.235 118.700 0.114 0.000 2.513 562 N HA 0.264 5.004 4.740 -0.000 0.000 0.274 562 N C -0.990 174.645 175.510 0.208 0.000 1.189 562 N CA 0.125 53.339 53.050 0.274 0.000 0.975 562 N CB 0.833 39.573 38.487 0.421 0.000 1.157 562 N HN 0.169 nan 8.380 nan 0.000 0.465 563 H N -0.221 118.911 119.070 0.102 0.000 2.569 563 H HA 0.463 5.018 4.556 -0.000 0.000 0.357 563 H C -2.192 172.935 175.328 -0.335 0.000 1.153 563 H CA -1.568 54.427 56.048 -0.088 0.000 1.193 563 H CB 1.461 31.147 29.762 -0.127 0.000 1.602 563 H HN 0.320 nan 8.280 nan 0.000 0.523 564 P HA 0.243 nan 4.420 nan 0.000 0.281 564 P C -0.353 176.632 177.300 -0.525 0.000 1.249 564 P CA -0.344 62.205 63.100 -0.919 0.000 0.810 564 P CB 1.021 32.193 31.700 -0.880 0.000 1.008 565 I N -2.483 117.737 120.570 -0.584 0.000 3.516 565 I HA 0.660 4.830 4.170 -0.000 0.000 0.297 565 I C -0.737 175.003 176.117 -0.628 0.000 1.139 565 I CA -0.955 60.047 61.300 -0.497 0.000 1.020 565 I CB 1.406 39.053 38.000 -0.588 0.000 1.341 565 I HN 0.137 nan 8.210 nan 0.000 0.490 566 F N -0.968 118.586 119.950 -0.661 0.000 2.980 566 F HA 0.555 5.081 4.527 -0.000 0.000 0.335 566 F C -1.446 173.980 175.800 -0.624 0.000 1.210 566 F CA -0.542 57.123 58.000 -0.558 0.000 0.986 566 F CB 1.634 40.221 39.000 -0.688 0.000 1.469 566 F HN 0.235 nan 8.300 nan 0.000 0.519 567 Y N 0.704 121.156 120.300 0.253 0.000 2.609 567 Y HA 0.331 4.881 4.550 -0.000 0.000 0.350 567 Y C -0.179 175.885 175.900 0.274 0.000 1.050 567 Y CA -0.847 57.435 58.100 0.303 0.000 1.290 567 Y CB 1.171 39.784 38.460 0.256 0.000 1.094 567 Y HN 0.208 nan 8.280 nan 0.000 0.583 568 R N 2.866 123.565 120.500 0.333 0.000 2.763 568 R HA -0.110 4.230 4.340 -0.000 0.000 0.348 568 R C 0.014 176.438 176.300 0.206 0.000 0.826 568 R CA 0.748 57.009 56.100 0.268 0.000 1.109 568 R CB 0.043 30.447 30.300 0.173 0.000 0.889 568 R HN 0.853 nan 8.270 nan 0.000 0.402 569 N N 0.761 119.571 118.700 0.184 0.000 2.868 569 N HA 0.268 5.008 4.740 -0.000 0.000 0.301 569 N C -1.208 174.315 175.510 0.023 0.000 1.364 569 N CA -0.323 52.797 53.050 0.117 0.000 0.767 569 N CB 0.777 39.357 38.487 0.155 0.000 1.120 569 N HN 0.579 nan 8.380 nan 0.000 0.470 570 S N 0.178 115.871 115.700 -0.011 0.000 2.582 570 S HA 0.369 4.839 4.470 -0.000 0.000 0.287 570 S C -1.344 173.143 174.600 -0.189 0.000 1.146 570 S CA -0.896 57.252 58.200 -0.087 0.000 0.941 570 S CB 1.092 64.251 63.200 -0.068 0.000 1.115 570 S HN 0.328 nan 8.310 nan 0.000 0.458 571 M N 3.021 122.434 119.600 -0.312 0.000 2.142 571 M HA 0.442 4.922 4.480 -0.000 0.000 0.299 571 M C -0.957 175.175 176.300 -0.280 0.000 0.960 571 M CA -0.432 54.552 55.300 -0.527 0.000 0.920 571 M CB 1.897 34.072 32.600 -0.709 0.000 1.541 571 M HN 0.793 nan 8.290 nan 0.000 0.429 572 K N 2.496 122.785 120.400 -0.186 0.000 2.380 572 K HA 0.454 4.774 4.320 -0.000 0.000 0.267 572 K C -0.291 176.262 176.600 -0.078 0.000 0.990 572 K CA 0.201 56.440 56.287 -0.080 0.000 0.946 572 K CB 0.584 33.082 32.500 -0.003 0.000 0.937 572 K HN 0.571 nan 8.250 nan 0.000 0.491 573 L N -0.329 120.868 121.223 -0.043 0.000 2.260 573 L HA 0.538 4.878 4.340 -0.000 0.000 0.265 573 L C 1.191 178.058 176.870 -0.005 0.000 1.015 573 L CA -0.542 54.281 54.840 -0.029 0.000 0.826 573 L CB 1.923 43.970 42.059 -0.020 0.000 1.373 573 L HN 0.826 nan 8.230 nan 0.000 0.450 574 G N -1.562 107.249 108.800 0.020 0.000 2.534 574 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.220 574 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.220 574 G C 1.012 175.956 174.900 0.074 0.000 1.699 574 G CA 0.239 45.367 45.100 0.046 0.000 0.769 574 G HN 0.588 nan 8.290 nan 0.000 0.632 575 Y N 1.268 121.601 120.300 0.054 0.000 2.172 575 Y HA -0.272 4.278 4.550 -0.000 0.000 0.280 575 Y C 2.677 178.592 175.900 0.025 0.000 1.209 575 Y CA 1.896 60.032 58.100 0.060 0.000 1.171 575 Y CB -0.110 38.394 38.460 0.074 0.000 0.965 575 Y HN 0.041 nan 8.280 nan 0.000 0.520 576 V N -0.035 120.010 119.914 0.217 0.000 2.275 576 V HA -0.187 3.933 4.120 -0.000 0.000 0.215 576 V C 1.617 177.741 176.094 0.049 0.000 1.008 576 V CA 2.575 64.955 62.300 0.134 0.000 1.036 576 V CB -0.517 31.348 31.823 0.071 0.000 0.663 576 V HN 0.517 nan 8.190 nan 0.000 0.468 577 I N -3.254 117.330 120.570 0.023 0.000 3.031 577 I HA 0.346 4.516 4.170 -0.000 0.000 0.275 577 I C -0.509 175.607 176.117 -0.002 0.000 0.991 577 I CA -0.332 60.969 61.300 0.002 0.000 1.799 577 I CB 0.693 38.692 38.000 -0.001 0.000 1.897 577 I HN 0.383 nan 8.210 nan 0.000 0.372 578 K N 1.418 121.815 120.400 -0.005 0.000 2.575 578 K HA 0.772 5.092 4.320 -0.000 0.000 0.271 578 K C -1.362 175.224 176.600 -0.023 0.000 1.013 578 K CA -0.430 55.849 56.287 -0.013 0.000 0.939 578 K CB 1.756 34.250 32.500 -0.011 0.000 1.328 578 K HN 0.422 nan 8.250 nan 0.000 0.450 579 S N 1.131 116.811 115.700 -0.034 0.000 2.682 579 S HA 0.534 5.004 4.470 -0.000 0.000 0.280 579 S C -0.954 173.608 174.600 -0.064 0.000 1.207 579 S CA -0.539 57.634 58.200 -0.045 0.000 0.987 579 S CB -0.179 63.000 63.200 -0.036 0.000 1.263 579 S HN 1.644 nan 8.310 nan 0.000 0.494 580 I N 0.178 120.707 120.570 -0.068 0.000 5.961 580 I HA -0.139 4.031 4.170 -0.000 0.000 0.126 580 I C -0.828 175.215 176.117 -0.123 0.000 1.317 580 I CA 0.569 61.817 61.300 -0.087 0.000 2.555 580 I CB -0.771 37.183 38.000 -0.077 0.000 2.414 580 I HN 0.875 nan 8.210 nan 0.000 0.302 581 D N 4.543 124.863 120.400 -0.134 0.000 2.687 581 D HA 0.886 5.526 4.640 -0.000 0.000 0.264 581 D C -0.762 175.415 176.300 -0.206 0.000 1.091 581 D CA -0.530 53.379 54.000 -0.152 0.000 1.123 581 D CB 1.561 42.313 40.800 -0.080 0.000 1.407 581 D HN 0.704 nan 8.370 nan 0.000 0.591 582 V N -0.400 119.416 119.914 -0.163 0.000 3.012 582 V HA 0.306 4.426 4.120 -0.000 0.000 0.307 582 V C 0.008 176.138 176.094 0.060 0.000 1.166 582 V CA -1.032 61.152 62.300 -0.193 0.000 0.974 582 V CB 1.670 33.340 31.823 -0.256 0.000 1.040 582 V HN 0.591 nan 8.190 nan 0.000 0.428 583 F N 1.249 121.155 119.950 -0.072 0.000 2.142 583 F HA 0.205 4.732 4.527 -0.000 0.000 0.262 583 F C 0.935 176.857 175.800 0.203 0.000 1.157 583 F CA 0.366 58.374 58.000 0.013 0.000 1.267 583 F CB 0.325 39.171 39.000 -0.257 0.000 1.637 583 F HN 0.595 nan 8.300 nan 0.000 0.484 584 N N -1.883 117.209 118.700 0.654 0.000 4.919 584 N HA -0.008 4.732 4.740 -0.000 0.000 0.180 584 N C -0.354 175.408 175.510 0.419 0.000 1.062 584 N CA 0.235 53.567 53.050 0.471 0.000 1.028 584 N CB 1.051 39.766 38.487 0.380 0.000 1.574 584 N HN 0.391 nan 8.380 nan 0.000 0.679 585 S N 1.009 116.811 115.700 0.169 0.000 2.444 585 S HA 0.136 4.606 4.470 -0.000 0.000 0.223 585 S C 0.233 174.761 174.600 -0.119 0.000 1.054 585 S CA 0.173 58.301 58.200 -0.120 0.000 0.947 585 S CB 0.162 63.233 63.200 -0.216 0.000 0.850 585 S HN 0.564 nan 8.310 nan 0.000 0.527 586 Q N 0.592 120.268 119.800 -0.206 0.000 2.337 586 Q HA 0.590 4.930 4.340 -0.000 0.000 0.266 586 Q C -1.563 174.239 176.000 -0.329 0.000 1.023 586 Q CA -0.848 54.762 55.803 -0.322 0.000 0.829 586 Q CB 1.833 30.293 28.738 -0.464 0.000 1.306 586 Q HN 0.262 nan 8.270 nan 0.000 0.449 587 I N 2.584 122.832 120.570 -0.536 0.000 2.662 587 I HA -0.149 4.021 4.170 -0.000 0.000 0.285 587 I C 1.441 177.403 176.117 -0.258 0.000 1.161 587 I CA 0.535 61.509 61.300 -0.542 0.000 1.415 587 I CB -0.212 37.330 38.000 -0.764 0.000 1.385 587 I HN 0.755 nan 8.210 nan 0.000 0.552 588 L N 5.117 126.268 121.223 -0.120 0.000 1.997 588 L HA -0.375 3.965 4.340 -0.000 0.000 0.227 588 L C 2.432 179.288 176.870 -0.024 0.000 1.087 588 L CA 2.057 56.887 54.840 -0.016 0.000 0.797 588 L CB -0.451 41.637 42.059 0.047 0.000 0.902 588 L HN 0.863 nan 8.230 nan 0.000 0.441 589 H N -1.006 118.019 119.070 -0.075 0.000 2.472 589 H HA -0.200 4.356 4.556 -0.000 0.000 0.296 589 H C 1.910 177.182 175.328 -0.093 0.000 1.120 589 H CA 2.210 58.227 56.048 -0.052 0.000 1.250 589 H CB -0.100 29.653 29.762 -0.014 0.000 1.366 589 H HN 0.468 nan 8.280 nan 0.000 0.524 590 T N -0.990 113.500 114.554 -0.107 0.000 2.590 590 T HA -0.165 4.185 4.350 -0.000 0.000 0.257 590 T C 2.259 176.819 174.700 -0.233 0.000 1.080 590 T CA 1.572 63.563 62.100 -0.181 0.000 1.180 590 T CB -0.587 68.126 68.868 -0.258 0.000 0.865 590 T HN 0.411 nan 8.240 nan 0.000 0.403 591 S N 1.709 117.267 115.700 -0.237 0.000 2.390 591 S HA -0.298 4.172 4.470 -0.000 0.000 0.234 591 S C 1.987 176.336 174.600 -0.417 0.000 1.063 591 S CA 1.678 59.718 58.200 -0.267 0.000 1.108 591 S CB -0.589 62.553 63.200 -0.096 0.000 0.975 591 S HN 0.383 nan 8.310 nan 0.000 0.442 592 R N 1.088 121.403 120.500 -0.308 0.000 2.159 592 R HA -0.237 4.103 4.340 -0.000 0.000 0.249 592 R C 2.571 178.692 176.300 -0.298 0.000 1.136 592 R CA 2.167 58.085 56.100 -0.303 0.000 0.951 592 R CB -0.409 29.730 30.300 -0.268 0.000 0.876 592 R HN 0.574 nan 8.270 nan 0.000 0.440 593 Q N 0.209 119.856 119.800 -0.255 0.000 1.993 593 Q HA -0.175 4.164 4.340 -0.000 0.000 0.202 593 Q C 2.473 178.448 176.000 -0.041 0.000 0.984 593 Q CA 1.604 57.345 55.803 -0.103 0.000 0.837 593 Q CB -0.385 28.343 28.738 -0.017 0.000 0.902 593 Q HN 0.409 nan 8.270 nan 0.000 0.423 594 L N 1.226 122.399 121.223 -0.084 0.000 2.058 594 L HA -0.337 4.003 4.340 -0.000 0.000 0.226 594 L C 2.784 179.612 176.870 -0.070 0.000 1.089 594 L CA 2.018 56.843 54.840 -0.025 0.000 0.799 594 L CB -0.976 41.012 42.059 -0.118 0.000 0.900 594 L HN 0.331 nan 8.230 nan 0.000 0.442 595 S N -0.628 114.841 115.700 -0.385 0.000 2.387 595 S HA -0.081 4.389 4.470 -0.000 0.000 0.226 595 S C 1.779 176.304 174.600 -0.124 0.000 1.026 595 S CA 0.840 58.828 58.200 -0.355 0.000 0.972 595 S CB -0.488 62.200 63.200 -0.853 0.000 0.814 595 S HN 0.415 nan 8.310 nan 0.000 0.477 596 L N 0.642 121.793 121.223 -0.122 0.000 2.558 596 L HA 0.298 4.638 4.340 -0.000 0.000 0.225 596 L C 0.695 177.555 176.870 -0.016 0.000 1.128 596 L CA 0.068 54.876 54.840 -0.055 0.000 0.868 596 L CB -0.414 41.605 42.059 -0.066 0.000 1.006 596 L HN 0.293 nan 8.230 nan 0.000 0.454 597 N N 0.017 118.733 118.700 0.028 0.000 2.966 597 N HA 0.302 5.042 4.740 -0.000 0.000 0.314 597 N C -1.104 174.425 175.510 0.032 0.000 1.397 597 N CA -0.498 52.550 53.050 -0.003 0.000 0.776 597 N CB 1.784 40.264 38.487 -0.012 0.000 1.576 597 N HN -0.095 nan 8.380 nan 0.000 0.592 598 N N 0.367 118.981 118.700 -0.143 0.000 2.629 598 N HA 0.236 4.976 4.740 -0.000 0.000 0.277 598 N C -1.405 174.022 175.510 -0.138 0.000 1.188 598 N CA -0.167 52.874 53.050 -0.014 0.000 0.835 598 N CB 0.648 39.133 38.487 -0.002 0.000 1.420 598 N HN 0.304 nan 8.380 nan 0.000 0.542 599 Y N 1.810 122.143 120.300 0.055 0.000 2.698 599 Y HA 0.643 5.193 4.550 -0.000 0.000 0.349 599 Y C 0.057 175.921 175.900 -0.061 0.000 1.242 599 Y CA -0.727 57.371 58.100 -0.004 0.000 1.341 599 Y CB 0.873 39.310 38.460 -0.038 0.000 1.558 599 Y HN 0.205 nan 8.280 nan 0.000 0.649 600 L N 1.623 122.897 121.223 0.086 0.000 2.476 600 L HA 0.481 4.821 4.340 -0.000 0.000 0.269 600 L C -1.783 175.008 176.870 -0.132 0.000 0.965 600 L CA -0.436 54.382 54.840 -0.037 0.000 0.845 600 L CB 2.023 44.081 42.059 -0.003 0.000 1.259 600 L HN 0.346 nan 8.230 nan 0.000 0.403 601 L N 1.578 122.669 121.223 -0.220 0.000 2.445 601 L HA 0.536 4.876 4.340 -0.000 0.000 0.262 601 L C -0.312 176.489 176.870 -0.114 0.000 0.974 601 L CA 0.010 54.721 54.840 -0.215 0.000 0.822 601 L CB 2.660 44.453 42.059 -0.443 0.000 1.339 601 L HN 0.466 nan 8.230 nan 0.000 0.409 602 S N 5.153 120.817 115.700 -0.060 0.000 2.516 602 S HA 0.207 4.677 4.470 -0.000 0.000 0.282 602 S C -1.828 172.767 174.600 -0.008 0.000 1.286 602 S CA -0.567 57.613 58.200 -0.033 0.000 1.066 602 S CB 0.559 63.738 63.200 -0.034 0.000 0.884 602 S HN 0.574 nan 8.310 nan 0.000 0.491 603 P HA -0.069 nan 4.420 nan 0.000 0.249 603 P C -0.111 177.194 177.300 0.010 0.000 1.227 603 P CA 0.906 64.026 63.100 0.034 0.000 0.753 603 P CB 0.115 31.833 31.700 0.031 0.000 0.966 604 D N -1.476 118.906 120.400 -0.030 0.000 2.538 604 D HA 0.102 4.742 4.640 -0.000 0.000 0.241 604 D C -0.343 175.852 176.300 -0.175 0.000 1.297 604 D CA 0.069 54.007 54.000 -0.104 0.000 0.804 604 D CB 0.880 41.621 40.800 -0.098 0.000 1.122 604 D HN 0.046 nan 8.370 nan 0.000 0.519 605 S N 0.668 116.313 115.700 -0.091 0.000 2.659 605 S HA 0.395 4.865 4.470 -0.000 0.000 0.312 605 S C 0.190 174.847 174.600 0.095 0.000 1.114 605 S CA -0.622 57.526 58.200 -0.086 0.000 1.063 605 S CB 1.447 64.623 63.200 -0.041 0.000 0.996 605 S HN 0.054 nan 8.310 nan 0.000 0.478 606 F N 1.455 121.383 119.950 -0.037 0.000 2.134 606 F HA 0.396 4.923 4.527 -0.000 0.000 0.269 606 F C 1.223 177.045 175.800 0.037 0.000 1.175 606 F CA -0.802 57.191 58.000 -0.011 0.000 1.227 606 F CB 0.422 39.401 39.000 -0.035 0.000 1.625 606 F HN 0.544 nan 8.300 nan 0.000 0.500 607 A N 0.638 123.631 122.820 0.289 0.000 2.763 607 A HA 0.501 4.821 4.320 -0.000 0.000 0.325 607 A C -1.062 176.679 177.584 0.262 0.000 1.209 607 A CA -0.549 51.609 52.037 0.201 0.000 0.764 607 A CB -0.145 18.900 19.000 0.075 0.000 1.120 607 A HN 0.362 nan 8.150 nan 0.000 0.463 608 V N 2.310 122.421 119.914 0.328 0.000 2.506 608 V HA -0.015 4.105 4.120 -0.000 0.000 0.296 608 V C -0.446 175.976 176.094 0.546 0.000 1.004 608 V CA 0.760 63.269 62.300 0.349 0.000 1.150 608 V CB -1.264 30.703 31.823 0.241 0.000 0.911 608 V HN 0.590 nan 8.190 nan 0.000 0.476 609 Y N 3.788 124.163 120.300 0.125 0.000 2.373 609 Y HA 0.625 5.175 4.550 -0.000 0.000 0.336 609 Y C 0.178 176.117 175.900 0.066 0.000 0.979 609 Y CA -1.480 56.669 58.100 0.081 0.000 1.080 609 Y CB 1.891 40.385 38.460 0.056 0.000 1.190 609 Y HN 0.597 nan 8.280 nan 0.000 0.446 610 R N 2.628 123.157 120.500 0.049 0.000 2.349 610 R HA 0.698 5.038 4.340 -0.000 0.000 0.299 610 R C -1.579 174.689 176.300 -0.053 0.000 1.027 610 R CA -0.177 55.927 56.100 0.006 0.000 0.958 610 R CB 0.313 30.556 30.300 -0.095 0.000 1.047 610 R HN 0.555 nan 8.270 nan 0.000 0.468 611 I N 5.511 126.000 120.570 -0.133 0.000 2.646 611 I HA 0.483 4.653 4.170 -0.000 0.000 0.299 611 I C -0.542 175.440 176.117 -0.224 0.000 1.036 611 I CA -0.656 60.493 61.300 -0.252 0.000 1.074 611 I CB 1.894 39.534 38.000 -0.599 0.000 1.258 611 I HN 0.599 nan 8.210 nan 0.000 0.430 612 I N 1.142 121.629 120.570 -0.138 0.000 2.644 612 I HA 0.615 4.785 4.170 -0.000 0.000 0.291 612 I C -1.015 175.058 176.117 -0.072 0.000 1.180 612 I CA -0.770 60.503 61.300 -0.045 0.000 1.040 612 I CB 2.071 40.065 38.000 -0.011 0.000 1.255 612 I HN 0.555 nan 8.210 nan 0.000 0.422 613 D N 4.081 124.462 120.400 -0.031 0.000 2.301 613 D HA 0.210 4.850 4.640 -0.000 0.000 0.287 613 D C 0.625 176.903 176.300 -0.036 0.000 1.179 613 D CA -0.292 53.674 54.000 -0.057 0.000 1.060 613 D CB 0.139 40.934 40.800 -0.010 0.000 1.135 613 D HN 0.515 nan 8.370 nan 0.000 0.531 614 S N -1.058 114.630 115.700 -0.020 0.000 2.540 614 S HA 0.124 4.594 4.470 -0.000 0.000 0.218 614 S C 0.965 175.573 174.600 0.013 0.000 0.977 614 S CA -0.444 57.750 58.200 -0.011 0.000 0.918 614 S CB -0.178 63.014 63.200 -0.014 0.000 0.806 614 S HN 0.320 nan 8.310 nan 0.000 0.496 615 N N 1.442 120.159 118.700 0.029 0.000 2.400 615 N HA 0.217 4.957 4.740 -0.000 0.000 0.228 615 N C 1.508 177.055 175.510 0.062 0.000 1.023 615 N CA 1.130 54.204 53.050 0.040 0.000 1.150 615 N CB -0.562 37.949 38.487 0.040 0.000 1.452 615 N HN 0.394 nan 8.380 nan 0.000 0.605 616 G N -0.429 108.422 108.800 0.085 0.000 2.351 616 G HA2 0.052 4.012 3.960 -0.000 0.000 0.169 616 G HA3 0.052 4.012 3.960 -0.000 0.000 0.169 616 G C -0.186 174.833 174.900 0.199 0.000 1.484 616 G CA -0.105 45.081 45.100 0.145 0.000 0.715 616 G HN 0.220 nan 8.290 nan 0.000 1.084 617 S N 1.955 117.718 115.700 0.105 0.000 2.599 617 S HA 0.345 4.815 4.470 -0.000 0.000 0.303 617 S C -0.413 174.288 174.600 0.168 0.000 1.267 617 S CA 0.492 58.731 58.200 0.067 0.000 1.055 617 S CB -0.188 63.055 63.200 0.073 0.000 0.790 617 S HN 0.535 nan 8.310 nan 0.000 0.500 618 W N 3.266 124.593 121.300 0.045 0.000 3.479 618 W HA 0.582 5.242 4.660 -0.000 0.000 0.304 618 W C -2.038 174.532 176.519 0.084 0.000 1.243 618 W CA -1.402 55.916 57.345 -0.046 0.000 1.202 618 W CB 0.289 29.721 29.460 -0.048 0.000 1.346 618 W HN 0.559 nan 8.180 nan 0.000 0.539 619 F N 0.022 120.209 119.950 0.396 0.000 2.715 619 F HA 0.697 5.224 4.527 -0.000 0.000 0.318 619 F C -1.221 174.771 175.800 0.321 0.000 1.141 619 F CA -1.441 56.721 58.000 0.270 0.000 0.950 619 F CB 1.068 40.122 39.000 0.090 0.000 1.374 619 F HN 0.132 nan 8.300 nan 0.000 0.477 620 D N 1.705 122.493 120.400 0.646 0.000 2.228 620 D HA 0.551 5.191 4.640 -0.000 0.000 0.247 620 D C -0.702 175.866 176.300 0.446 0.000 0.995 620 D CA -0.038 54.240 54.000 0.462 0.000 0.903 620 D CB 2.736 43.751 40.800 0.358 0.000 1.205 620 D HN 0.274 nan 8.370 nan 0.000 0.459 621 I N 0.564 121.336 120.570 0.336 0.000 2.689 621 I HA 0.469 4.639 4.170 -0.000 0.000 0.299 621 I C 0.666 176.862 176.117 0.132 0.000 1.059 621 I CA -0.603 60.816 61.300 0.199 0.000 1.055 621 I CB 1.684 39.765 38.000 0.135 0.000 1.243 621 I HN 0.371 nan 8.210 nan 0.000 0.425 622 G N 4.926 113.729 108.800 0.006 0.000 2.600 622 G HA2 0.747 4.707 3.960 -0.000 0.000 0.303 622 G HA3 0.747 4.707 3.960 -0.000 0.000 0.303 622 G C -1.183 173.497 174.900 -0.367 0.000 1.253 622 G CA -0.368 44.647 45.100 -0.141 0.000 0.974 622 G HN 0.276 nan 8.290 nan 0.000 0.483 623 I N 1.014 121.384 120.570 -0.333 0.000 2.418 623 I HA 0.290 4.460 4.170 -0.000 0.000 0.287 623 I C -0.580 175.447 176.117 -0.150 0.000 1.008 623 I CA -1.051 60.114 61.300 -0.224 0.000 1.104 623 I CB 1.344 39.293 38.000 -0.086 0.000 1.264 623 I HN 0.385 nan 8.210 nan 0.000 0.438 624 D N 2.650 122.969 120.400 -0.136 0.000 2.362 624 D HA 0.076 4.716 4.640 -0.000 0.000 0.242 624 D C 1.432 177.913 176.300 0.301 0.000 1.132 624 D CA 0.313 54.335 54.000 0.037 0.000 0.907 624 D CB 1.230 42.116 40.800 0.144 0.000 1.195 624 D HN 0.606 nan 8.370 nan 0.000 0.429 625 S N 1.257 117.167 115.700 0.350 0.000 2.465 625 S HA -0.194 4.276 4.470 -0.000 0.000 0.241 625 S C 0.936 175.829 174.600 0.489 0.000 1.000 625 S CA 1.140 59.636 58.200 0.493 0.000 0.964 625 S CB -0.049 63.302 63.200 0.252 0.000 0.763 625 S HN 0.491 nan 8.310 nan 0.000 0.512 626 D N 1.165 121.744 120.400 0.299 0.000 2.277 626 D HA 0.239 4.879 4.640 -0.000 0.000 0.209 626 D C 1.307 177.767 176.300 0.267 0.000 0.970 626 D CA 1.001 55.175 54.000 0.290 0.000 0.874 626 D CB -0.173 40.804 40.800 0.295 0.000 0.982 626 D HN 0.662 nan 8.370 nan 0.000 0.504 627 G N 0.662 109.580 108.800 0.196 0.000 2.610 627 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.136 627 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.136 627 G C -0.603 174.285 174.900 -0.019 0.000 1.070 627 G CA -0.754 44.269 45.100 -0.129 0.000 0.812 627 G HN 0.061 nan 8.290 nan 0.000 0.495 628 F N 0.228 120.129 119.950 -0.082 0.000 2.654 628 F HA 0.826 5.353 4.527 -0.000 0.000 0.334 628 F C 0.658 176.401 175.800 -0.096 0.000 1.078 628 F CA -1.136 56.826 58.000 -0.063 0.000 0.986 628 F CB 1.995 41.004 39.000 0.015 0.000 1.362 628 F HN 0.063 nan 8.300 nan 0.000 0.498 629 S N 0.985 116.667 115.700 -0.030 0.000 2.451 629 S HA 0.708 5.178 4.470 -0.000 0.000 0.301 629 S C -1.278 173.182 174.600 -0.233 0.000 1.116 629 S CA -0.365 57.760 58.200 -0.125 0.000 1.093 629 S CB 0.465 63.539 63.200 -0.211 0.000 1.017 629 S HN 0.287 nan 8.310 nan 0.000 0.482 630 F N 1.198 120.947 119.950 -0.334 0.000 2.579 630 F HA 0.738 5.265 4.527 -0.000 0.000 0.324 630 F C -0.033 175.681 175.800 -0.144 0.000 1.058 630 F CA -0.836 57.019 58.000 -0.242 0.000 0.944 630 F CB 1.618 40.456 39.000 -0.269 0.000 1.245 630 F HN 0.217 nan 8.300 nan 0.000 0.477 631 V N 0.186 120.162 119.914 0.104 0.000 3.007 631 V HA 0.560 4.679 4.120 -0.000 0.000 0.311 631 V C 0.243 176.401 176.094 0.108 0.000 1.120 631 V CA -0.763 61.547 62.300 0.017 0.000 0.980 631 V CB 2.021 33.719 31.823 -0.208 0.000 1.033 631 V HN 0.884 nan 8.190 nan 0.000 0.429 632 G N 1.526 110.371 108.800 0.075 0.000 3.434 632 G HA2 0.412 4.372 3.960 -0.000 0.000 0.258 632 G HA3 0.412 4.372 3.960 -0.000 0.000 0.258 632 G C -0.115 174.791 174.900 0.011 0.000 1.128 632 G CA 0.142 45.295 45.100 0.090 0.000 0.792 632 G HN 0.436 nan 8.290 nan 0.000 0.539 633 V N -0.277 119.590 119.914 -0.078 0.000 2.815 633 V HA 0.401 4.521 4.120 -0.000 0.000 0.314 633 V C 1.202 177.151 176.094 -0.242 0.000 1.064 633 V CA -0.378 61.840 62.300 -0.137 0.000 0.952 633 V CB 1.673 33.397 31.823 -0.164 0.000 1.020 633 V HN 0.111 nan 8.190 nan 0.000 0.439 634 S N 1.403 116.953 115.700 -0.249 0.000 2.461 634 S HA 0.050 4.520 4.470 -0.000 0.000 0.228 634 S C 0.572 175.000 174.600 -0.287 0.000 1.005 634 S CA 0.830 58.810 58.200 -0.367 0.000 0.942 634 S CB -0.075 62.993 63.200 -0.219 0.000 0.776 634 S HN 1.158 nan 8.310 nan 0.000 0.514 635 S N 0.369 115.948 115.700 -0.201 0.000 2.570 635 S HA 0.557 5.027 4.470 -0.000 0.000 0.286 635 S C -0.967 173.559 174.600 -0.123 0.000 1.143 635 S CA -1.103 57.009 58.200 -0.148 0.000 0.921 635 S CB 0.829 63.968 63.200 -0.102 0.000 1.108 635 S HN 0.437 nan 8.310 nan 0.000 0.456 636 I N 0.181 120.687 120.570 -0.107 0.000 2.797 636 I HA 1.051 5.221 4.170 -0.000 0.000 0.307 636 I C 0.249 176.365 176.117 -0.002 0.000 1.033 636 I CA -0.403 60.855 61.300 -0.070 0.000 1.071 636 I CB 1.634 39.561 38.000 -0.122 0.000 1.255 636 I HN 0.915 nan 8.210 nan 0.000 0.445 637 G N 2.691 111.514 108.800 0.038 0.000 3.251 637 G HA2 0.523 4.483 3.960 -0.000 0.000 0.248 637 G HA3 0.523 4.483 3.960 -0.000 0.000 0.248 637 G C -1.206 173.746 174.900 0.086 0.000 1.320 637 G CA -1.243 43.886 45.100 0.049 0.000 0.982 637 G HN 0.695 nan 8.290 nan 0.000 0.575 638 K N -0.171 120.267 120.400 0.065 0.000 2.448 638 K HA 0.432 4.752 4.320 -0.000 0.000 0.278 638 K C -0.567 176.091 176.600 0.097 0.000 1.009 638 K CA 0.406 56.738 56.287 0.075 0.000 0.995 638 K CB 0.461 32.987 32.500 0.045 0.000 0.917 638 K HN 0.478 nan 8.250 nan 0.000 0.481 639 L N -1.932 119.369 121.223 0.129 0.000 2.545 639 L HA 0.392 4.732 4.340 -0.000 0.000 0.258 639 L C -0.901 176.051 176.870 0.137 0.000 0.942 639 L CA -1.252 53.661 54.840 0.121 0.000 0.855 639 L CB 1.541 43.682 42.059 0.137 0.000 1.374 639 L HN 0.285 nan 8.230 nan 0.000 0.411 640 E N 1.423 121.674 120.200 0.085 0.000 2.652 640 E HA -0.054 4.296 4.350 -0.000 0.000 0.255 640 E C -0.070 176.573 176.600 0.071 0.000 0.952 640 E CA 0.673 57.120 56.400 0.079 0.000 0.947 640 E CB 0.341 30.062 29.700 0.035 0.000 0.912 640 E HN 0.636 nan 8.360 nan 0.000 0.489 641 F N 3.305 123.222 119.950 -0.054 0.000 2.769 641 F HA 0.104 4.631 4.527 -0.000 0.000 0.304 641 F C -1.187 174.543 175.800 -0.116 0.000 1.158 641 F CA -1.321 56.626 58.000 -0.088 0.000 1.398 641 F CB 0.067 39.009 39.000 -0.097 0.000 1.094 641 F HN 0.303 nan 8.300 nan 0.000 0.553 642 P HA 0.051 nan 4.420 nan 0.000 0.243 642 P C -0.083 177.076 177.300 -0.235 0.000 1.668 642 P CA 0.169 63.191 63.100 -0.130 0.000 0.898 642 P CB -0.227 31.431 31.700 -0.069 0.000 1.637 643 L N 0.245 121.226 121.223 -0.404 0.000 2.517 643 L HA 0.055 4.395 4.340 -0.000 0.000 0.294 643 L C 0.814 177.458 176.870 -0.377 0.000 1.264 643 L CA 1.082 55.664 54.840 -0.431 0.000 0.839 643 L CB -0.167 41.492 42.059 -0.667 0.000 1.098 643 L HN 0.184 nan 8.230 nan 0.000 0.525 644 T N -0.786 113.620 114.554 -0.248 0.000 3.012 644 T HA 0.719 5.069 4.350 -0.000 0.000 0.330 644 T C -0.586 174.072 174.700 -0.071 0.000 1.321 644 T CA -0.570 61.428 62.100 -0.169 0.000 1.067 644 T CB 1.675 70.456 68.868 -0.146 0.000 1.235 644 T HN 0.738 nan 8.240 nan 0.000 0.479 645 A N 1.625 124.442 122.820 -0.006 0.000 2.637 645 A HA 1.077 5.397 4.320 -0.000 0.000 0.258 645 A C 0.240 177.658 177.584 -0.277 0.000 1.250 645 A CA -0.191 51.823 52.037 -0.038 0.000 0.931 645 A CB 1.062 20.155 19.000 0.155 0.000 1.488 645 A HN 2.248 nan 8.150 nan 0.000 0.464 646 S N -2.652 112.774 115.700 -0.458 0.000 2.669 646 S HA 0.661 5.131 4.470 -0.000 0.000 0.266 646 S C -1.940 172.002 174.600 -1.097 0.000 1.149 646 S CA -0.550 57.111 58.200 -0.897 0.000 0.842 646 S CB 0.444 63.336 63.200 -0.514 0.000 1.160 646 S HN 1.628 nan 8.310 nan 0.000 0.487 647 Y N -0.116 119.830 120.300 -0.590 0.000 2.442 647 Y HA 0.780 5.330 4.550 -0.000 0.000 0.344 647 Y C 0.609 176.370 175.900 -0.233 0.000 0.976 647 Y CA -1.631 56.026 58.100 -0.737 0.000 1.040 647 Y CB 0.890 38.918 38.460 -0.720 0.000 1.228 647 Y HN 0.540 nan 8.280 nan 0.000 0.451 648 M N 1.160 120.836 119.600 0.125 0.000 2.925 648 M HA 0.528 5.008 4.480 -0.000 0.000 0.249 648 M C 1.021 177.398 176.300 0.128 0.000 1.439 648 M CA 1.272 56.645 55.300 0.121 0.000 1.217 648 M CB -0.104 32.561 32.600 0.107 0.000 1.245 648 M HN 1.054 nan 8.290 nan 0.000 0.552 649 G N 1.175 110.084 108.800 0.182 0.000 2.104 649 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.055 649 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.055 649 G C -1.289 173.703 174.900 0.154 0.000 0.815 649 G CA -0.385 44.801 45.100 0.144 0.000 1.125 649 G HN 0.392 nan 8.290 nan 0.000 0.379 650 N N 0.652 119.414 118.700 0.104 0.000 2.308 650 N HA 0.563 5.303 4.740 -0.000 0.000 0.283 650 N C -1.642 173.898 175.510 0.050 0.000 1.105 650 N CA -0.511 52.593 53.050 0.090 0.000 0.840 650 N CB 2.583 41.103 38.487 0.056 0.000 1.633 650 N HN 0.625 nan 8.380 nan 0.000 0.476 651 Q N 1.006 120.824 119.800 0.031 0.000 2.284 651 Q HA 0.329 4.669 4.340 -0.000 0.000 0.269 651 Q C -1.066 174.854 176.000 -0.135 0.000 1.026 651 Q CA -0.917 54.869 55.803 -0.029 0.000 0.831 651 Q CB 2.504 31.242 28.738 0.001 0.000 1.322 651 Q HN 0.415 nan 8.270 nan 0.000 0.419 652 L N 1.918 123.053 121.223 -0.146 0.000 2.667 652 L HA -0.127 4.213 4.340 -0.000 0.000 0.278 652 L C 1.367 178.016 176.870 -0.369 0.000 1.217 652 L CA 0.945 55.653 54.840 -0.221 0.000 0.935 652 L CB 0.158 42.124 42.059 -0.155 0.000 1.193 652 L HN 0.938 nan 8.230 nan 0.000 0.493 653 A N 4.086 126.528 122.820 -0.629 0.000 2.194 653 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 653 A C 1.844 179.132 177.584 -0.492 0.000 1.162 653 A CA 1.109 52.539 52.037 -1.012 0.000 0.674 653 A CB -0.435 17.741 19.000 -1.373 0.000 0.789 653 A HN 0.692 nan 8.150 nan 0.000 0.470 654 K N -0.175 120.043 120.400 -0.303 0.000 2.555 654 K HA 0.038 4.358 4.320 -0.000 0.000 0.193 654 K C 0.396 176.919 176.600 -0.128 0.000 1.032 654 K CA 0.312 56.491 56.287 -0.179 0.000 1.004 654 K CB -0.897 31.524 32.500 -0.133 0.000 0.804 654 K HN 0.791 nan 8.250 nan 0.000 0.496 655 I N -2.228 118.260 120.570 -0.138 0.000 2.493 655 I HA 0.344 4.514 4.170 -0.000 0.000 0.298 655 I C -0.256 175.839 176.117 -0.036 0.000 0.998 655 I CA -1.092 60.166 61.300 -0.071 0.000 1.137 655 I CB 1.574 39.539 38.000 -0.058 0.000 1.310 655 I HN -0.204 nan 8.210 nan 0.000 0.445 656 R N 4.981 125.486 120.500 0.008 0.000 2.539 656 R HA 0.498 4.838 4.340 -0.000 0.000 0.275 656 R C -0.937 175.414 176.300 0.085 0.000 1.077 656 R CA -0.642 55.490 56.100 0.054 0.000 1.097 656 R CB 0.470 30.800 30.300 0.050 0.000 1.018 656 R HN 0.618 nan 8.270 nan 0.000 0.483 657 L N 2.714 124.015 121.223 0.131 0.000 2.334 657 L HA 0.293 4.633 4.340 -0.000 0.000 0.286 657 L C 0.797 177.769 176.870 0.170 0.000 1.108 657 L CA -0.612 54.334 54.840 0.177 0.000 0.875 657 L CB 0.545 42.743 42.059 0.232 0.000 1.246 657 L HN 0.697 nan 8.230 nan 0.000 0.439 658 A N 3.450 126.372 122.820 0.170 0.000 2.521 658 A HA 0.436 4.756 4.320 -0.000 0.000 0.237 658 A C 0.571 178.223 177.584 0.114 0.000 1.087 658 A CA 0.420 52.539 52.037 0.136 0.000 0.777 658 A CB 0.215 19.324 19.000 0.182 0.000 1.035 658 A HN 0.827 nan 8.150 nan 0.000 0.510 659 S N -0.402 115.160 115.700 -0.230 0.000 2.558 659 S HA 0.450 4.920 4.470 -0.000 0.000 0.277 659 S C -0.965 173.066 174.600 -0.948 0.000 1.143 659 S CA -0.867 56.931 58.200 -0.671 0.000 0.865 659 S CB 1.188 64.309 63.200 -0.132 0.000 1.102 659 S HN 0.579 nan 8.310 nan 0.000 0.454 660 N N 1.747 119.519 118.700 -1.546 0.000 2.908 660 N HA 0.342 5.082 4.740 -0.000 0.000 0.316 660 N C 0.238 175.451 175.510 -0.495 0.000 1.619 660 N CA -0.595 51.904 53.050 -0.917 0.000 1.045 660 N CB 0.032 37.950 38.487 -0.950 0.000 1.357 660 N HN 0.718 nan 8.380 nan 0.000 0.501 661 I N -2.234 118.159 120.570 -0.295 0.000 4.200 661 I HA 0.639 4.809 4.170 -0.000 0.000 0.243 661 I C 0.731 176.804 176.117 -0.074 0.000 1.441 661 I CA -0.702 60.540 61.300 -0.097 0.000 1.105 661 I CB 0.027 38.045 38.000 0.030 0.000 1.562 661 I HN 0.396 nan 8.210 nan 0.000 0.617 662 R N 0.000 120.486 120.500 -0.023 0.000 2.786 662 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 662 R CA 0.000 56.088 56.100 -0.020 0.000 0.921 662 R CB 0.000 30.276 30.300 -0.041 0.000 0.687 662 R HN 0.000 nan 8.270 nan 0.000 0.535