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 2dhr_1_A DATA FIRST_RESID 143 DATA SEQUENCE RARVLTEAPK VTFKDVAGAE EAKEELKEIV EFLKNPSRFH EMGARIPKGV DATA SEQUENCE LLVGPPGVGK THLARAVAGE ARVPFITASG SDFVEMFVGV GAARVRDLFE DATA SEQUENCE TAKRHAPCIV FIDEIDAVGR KRGSGVGGGN DEREQTLNQL LVEMDGFEKD DATA SEQUENCE TAIVVMAATN RPDILDPALL RPGRFDRQIA IDAPDVKGRE QILRIHARGK DATA SEQUENCE PLAEDVDLAL LAKRTPGFVG ADLENLLNEA ALLAAREGRR KITMKDLEEA DATA SEQUENCE ADRVMMLPAK KSLVLSPRDR RITAYHEAGH ALAAHFLEHA DGVHKVTIVP DATA SEQUENCE RGRALGFMMP RREDMLHWSR KRLLDQIAVA LAGRAAEEIV FDDVTTGAEN DATA SEQUENCE DFRQATELAR RMITEWGMHP EFGPVAYAVR EDTYLGGYDV RQYSEETAKR DATA SEQUENCE IDEAVRRLIE EQYQRVKALL LEKREVLERV AETLLERETL TAEEFQRVVE DATA SEQUENCE GLPLEAPE 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 143 R HA 0.000 nan 4.340 nan 0.000 0.208 143 R C 0.000 176.251 176.300 -0.082 0.000 0.893 143 R CA 0.000 56.067 56.100 -0.055 0.000 0.921 143 R CB 0.000 30.272 30.300 -0.047 0.000 0.687 144 A N 0.463 123.239 122.820 -0.073 0.000 3.201 144 A HA 0.874 5.194 4.320 0.000 0.000 0.303 144 A C -1.078 176.469 177.584 -0.062 0.000 1.173 144 A CA -0.374 51.614 52.037 -0.082 0.000 0.621 144 A CB 0.798 19.749 19.000 -0.082 0.000 1.468 144 A HN 0.881 nan 8.150 nan 0.000 0.632 145 R N 0.681 121.143 120.500 -0.064 0.000 2.230 145 R HA 0.526 4.866 4.340 0.000 0.000 0.337 145 R C -1.262 175.005 176.300 -0.055 0.000 1.063 145 R CA -0.168 55.905 56.100 -0.046 0.000 0.935 145 R CB 0.195 30.474 30.300 -0.036 0.000 1.121 145 R HN 0.549 nan 8.270 nan 0.000 0.486 146 V N 4.738 124.642 119.914 -0.018 0.000 2.509 146 V HA 0.328 4.448 4.120 0.000 0.000 0.284 146 V C 0.339 176.470 176.094 0.063 0.000 1.047 146 V CA -0.818 61.490 62.300 0.013 0.000 0.952 146 V CB 1.645 33.492 31.823 0.040 0.000 0.988 146 V HN 0.624 nan 8.190 nan 0.000 0.469 147 L N 4.763 126.052 121.223 0.110 0.000 2.356 147 L HA 0.382 4.722 4.340 0.000 0.000 0.264 147 L C 0.492 177.451 176.870 0.148 0.000 1.029 147 L CA 0.043 54.972 54.840 0.148 0.000 0.897 147 L CB 1.257 43.456 42.059 0.234 0.000 1.256 147 L HN 0.936 nan 8.230 nan 0.000 0.444 148 T N -0.517 114.106 114.554 0.114 0.000 2.865 148 T HA 0.243 4.593 4.350 0.000 0.000 0.302 148 T C 0.920 175.657 174.700 0.062 0.000 1.078 148 T CA -0.469 61.688 62.100 0.095 0.000 0.942 148 T CB 1.236 70.152 68.868 0.080 0.000 1.387 148 T HN 0.596 nan 8.240 nan 0.000 0.557 149 E N -0.286 119.934 120.200 0.034 0.000 4.931 149 E HA -0.304 4.046 4.350 0.000 0.000 0.176 149 E C 0.112 176.724 176.600 0.020 0.000 1.336 149 E CA 1.515 57.928 56.400 0.020 0.000 2.234 149 E CB -1.093 28.621 29.700 0.022 0.000 1.887 149 E HN 1.121 nan 8.360 nan 0.000 0.354 150 A N -0.262 122.578 122.820 0.032 0.000 2.272 150 A HA 0.374 4.694 4.320 0.000 0.000 0.286 150 A C -2.911 174.694 177.584 0.034 0.000 0.977 150 A CA -0.809 51.245 52.037 0.028 0.000 0.822 150 A CB 0.343 19.350 19.000 0.012 0.000 0.955 150 A HN 0.047 nan 8.150 nan 0.000 0.349 151 P HA 0.498 nan 4.420 nan 0.000 0.274 151 P C -0.202 177.097 177.300 -0.002 0.000 1.231 151 P CA -0.093 63.021 63.100 0.024 0.000 0.790 151 P CB 0.878 32.580 31.700 0.003 0.000 0.951 152 K N 0.090 120.489 120.400 -0.001 0.000 2.520 152 K HA 0.608 4.928 4.320 0.000 0.000 0.256 152 K C -0.607 175.971 176.600 -0.037 0.000 1.033 152 K CA -1.062 55.220 56.287 -0.008 0.000 1.007 152 K CB -0.072 32.434 32.500 0.010 0.000 1.330 152 K HN 0.105 nan 8.250 nan 0.000 0.507 153 V N -0.760 119.136 119.914 -0.030 0.000 3.346 153 V HA -0.175 3.945 4.120 0.000 0.000 0.477 153 V C -0.407 175.632 176.094 -0.092 0.000 0.682 153 V CA 0.862 63.120 62.300 -0.070 0.000 2.016 153 V CB -1.688 30.069 31.823 -0.110 0.000 2.468 153 V HN 1.247 nan 8.190 nan 0.000 0.500 154 T N 2.784 117.304 114.554 -0.057 0.000 2.804 154 T HA 0.735 5.085 4.350 0.000 0.000 0.290 154 T C 0.537 175.278 174.700 0.068 0.000 1.099 154 T CA -0.054 62.069 62.100 0.037 0.000 1.011 154 T CB 1.400 70.299 68.868 0.052 0.000 1.291 154 T HN 0.243 nan 8.240 nan 0.000 0.523 155 F N 1.122 121.003 119.950 -0.116 0.000 2.408 155 F HA 0.048 4.575 4.527 0.000 0.000 0.300 155 F C 2.664 178.425 175.800 -0.065 0.000 1.090 155 F CA 0.957 58.900 58.000 -0.096 0.000 1.427 155 F CB 0.150 39.107 39.000 -0.072 0.000 1.070 155 F HN 0.592 nan 8.300 nan 0.000 0.549 156 K N -0.206 120.260 120.400 0.111 0.000 2.228 156 K HA -0.103 4.217 4.320 0.000 0.000 0.202 156 K C 0.382 176.995 176.600 0.020 0.000 1.051 156 K CA 1.439 57.758 56.287 0.053 0.000 0.960 156 K CB -0.254 32.270 32.500 0.041 0.000 0.743 156 K HN 0.133 nan 8.250 nan 0.000 0.458 157 D N 1.524 121.924 120.400 0.001 0.000 2.319 157 D HA 0.097 4.737 4.640 0.000 0.000 0.230 157 D C -0.448 175.844 176.300 -0.013 0.000 1.094 157 D CA 0.101 54.105 54.000 0.006 0.000 0.856 157 D CB 0.641 41.448 40.800 0.012 0.000 0.915 157 D HN -0.057 nan 8.370 nan 0.000 0.517 158 V N 0.894 120.754 119.914 -0.090 0.000 2.487 158 V HA 0.632 4.752 4.120 0.000 0.000 0.298 158 V C -0.207 175.852 176.094 -0.058 0.000 1.028 158 V CA -1.047 61.179 62.300 -0.124 0.000 0.860 158 V CB 1.826 33.403 31.823 -0.410 0.000 0.991 158 V HN 0.082 nan 8.190 nan 0.000 0.427 159 A N 3.720 126.531 122.820 -0.015 0.000 2.317 159 A HA 0.900 5.221 4.320 0.000 0.000 0.327 159 A C 0.865 178.434 177.584 -0.026 0.000 1.178 159 A CA 0.394 52.416 52.037 -0.024 0.000 0.817 159 A CB 0.955 19.933 19.000 -0.037 0.000 1.189 159 A HN 1.980 nan 8.150 nan 0.000 0.489 160 G N 1.435 110.225 108.800 -0.018 0.000 2.543 160 G HA2 0.136 4.096 3.960 0.000 0.000 0.286 160 G HA3 0.136 4.096 3.960 0.000 0.000 0.286 160 G C 1.175 176.065 174.900 -0.017 0.000 1.153 160 G CA 1.935 47.029 45.100 -0.011 0.000 0.968 160 G HN 2.611 nan 8.290 nan 0.000 0.544 161 A N -1.180 121.629 122.820 -0.018 0.000 2.715 161 A HA -0.200 4.120 4.320 0.000 0.000 0.301 161 A C 1.397 178.976 177.584 -0.008 0.000 1.515 161 A CA 2.674 54.696 52.037 -0.026 0.000 0.816 161 A CB -1.485 17.473 19.000 -0.070 0.000 1.004 161 A HN 1.511 nan 8.150 nan 0.000 0.483 162 E N -0.001 120.206 120.200 0.011 0.000 2.031 162 E HA -0.113 4.237 4.350 0.000 0.000 0.193 162 E C 1.560 178.182 176.600 0.036 0.000 0.994 162 E CA 1.644 58.062 56.400 0.030 0.000 0.800 162 E CB -0.207 29.509 29.700 0.027 0.000 0.752 162 E HN 0.741 nan 8.360 nan 0.000 0.447 163 E N -0.880 119.335 120.200 0.026 0.000 2.501 163 E HA -0.065 4.285 4.350 0.000 0.000 0.203 163 E C 0.842 177.462 176.600 0.033 0.000 1.072 163 E CA 0.774 57.191 56.400 0.028 0.000 0.885 163 E CB 0.028 29.740 29.700 0.020 0.000 0.813 163 E HN 0.307 nan 8.360 nan 0.000 0.556 164 A N -0.535 122.306 122.820 0.036 0.000 1.964 164 A HA 0.127 4.447 4.320 0.000 0.000 0.198 164 A C 1.697 179.332 177.584 0.085 0.000 1.599 164 A CA -0.008 52.055 52.037 0.042 0.000 0.968 164 A CB 0.192 19.198 19.000 0.010 0.000 1.029 164 A HN -0.009 nan 8.150 nan 0.000 0.508 165 K N 0.386 120.843 120.400 0.096 0.000 1.987 165 K HA -0.212 4.108 4.320 0.000 0.000 0.216 165 K C 1.895 178.645 176.600 0.251 0.000 1.051 165 K CA 2.044 58.486 56.287 0.260 0.000 0.942 165 K CB -0.230 32.410 32.500 0.234 0.000 0.722 165 K HN 0.556 nan 8.250 nan 0.000 0.444 166 E N 0.402 120.685 120.200 0.139 0.000 2.110 166 E HA -0.177 4.173 4.350 0.000 0.000 0.193 166 E C 1.939 178.584 176.600 0.074 0.000 0.988 166 E CA 0.819 57.271 56.400 0.087 0.000 0.804 166 E CB 0.134 29.870 29.700 0.061 0.000 0.745 166 E HN 0.243 nan 8.360 nan 0.000 0.458 167 E N 0.032 120.278 120.200 0.078 0.000 2.418 167 E HA -0.106 4.244 4.350 0.000 0.000 0.197 167 E C 1.704 178.348 176.600 0.074 0.000 1.026 167 E CA 0.336 56.776 56.400 0.065 0.000 0.862 167 E CB 0.238 29.972 29.700 0.057 0.000 0.799 167 E HN 0.273 nan 8.360 nan 0.000 0.518 168 L N -0.140 121.149 121.223 0.109 0.000 2.463 168 L HA 0.043 4.383 4.340 0.000 0.000 0.219 168 L C 2.240 179.153 176.870 0.072 0.000 1.088 168 L CA 0.149 55.062 54.840 0.122 0.000 0.849 168 L CB 0.114 42.303 42.059 0.217 0.000 1.012 168 L HN -0.095 nan 8.230 nan 0.000 0.468 169 K N 0.592 121.015 120.400 0.039 0.000 2.286 169 K HA -0.244 4.076 4.320 0.000 0.000 0.203 169 K C 1.712 178.287 176.600 -0.041 0.000 1.045 169 K CA 1.869 58.119 56.287 -0.062 0.000 0.935 169 K CB 0.109 32.577 32.500 -0.053 0.000 0.737 169 K HN 0.554 nan 8.250 nan 0.000 0.460 170 E N -0.074 120.127 120.200 0.002 0.000 2.230 170 E HA -0.094 4.256 4.350 0.000 0.000 0.192 170 E C 1.829 178.395 176.600 -0.056 0.000 0.987 170 E CA 0.337 56.745 56.400 0.014 0.000 0.841 170 E CB -0.022 29.718 29.700 0.066 0.000 0.783 170 E HN 0.094 nan 8.360 nan 0.000 0.481 171 I N 1.552 122.097 120.570 -0.041 0.000 2.439 171 I HA -0.152 4.019 4.170 0.000 0.000 0.251 171 I C 2.252 178.356 176.117 -0.023 0.000 1.139 171 I CA 0.672 61.940 61.300 -0.053 0.000 1.438 171 I CB -0.212 37.783 38.000 -0.009 0.000 1.085 171 I HN 0.096 nan 8.210 nan 0.000 0.427 172 V N 0.742 120.628 119.914 -0.046 0.000 2.307 172 V HA -0.253 3.867 4.120 0.000 0.000 0.245 172 V C 2.228 178.266 176.094 -0.093 0.000 1.045 172 V CA 1.635 63.886 62.300 -0.083 0.000 1.024 172 V CB -0.601 31.102 31.823 -0.201 0.000 0.651 172 V HN 0.387 nan 8.190 nan 0.000 0.449 173 E N -0.798 119.343 120.200 -0.099 0.000 2.338 173 E HA -0.193 4.157 4.350 0.000 0.000 0.197 173 E C 1.854 178.354 176.600 -0.166 0.000 1.007 173 E CA 0.963 57.310 56.400 -0.090 0.000 0.849 173 E CB -0.150 29.546 29.700 -0.007 0.000 0.774 173 E HN 0.686 nan 8.360 nan 0.000 0.506 174 F N 0.646 120.327 119.950 -0.449 0.000 2.206 174 F HA -0.139 4.388 4.527 0.000 0.000 0.298 174 F C 1.588 177.217 175.800 -0.285 0.000 1.090 174 F CA 0.765 58.413 58.000 -0.586 0.000 1.323 174 F CB 0.164 38.755 39.000 -0.680 0.000 1.028 174 F HN -0.033 nan 8.300 nan 0.000 0.492 175 L N 0.720 121.817 121.223 -0.209 0.000 2.072 175 L HA -0.122 4.218 4.340 0.000 0.000 0.205 175 L C 2.274 179.013 176.870 -0.218 0.000 1.079 175 L CA 1.475 56.183 54.840 -0.220 0.000 0.752 175 L CB -1.557 40.468 42.059 -0.058 0.000 0.906 175 L HN 0.140 nan 8.230 nan 0.000 0.436 176 K N 0.277 120.577 120.400 -0.168 0.000 1.977 176 K HA -0.164 4.156 4.320 0.000 0.000 0.218 176 K C 0.265 176.773 176.600 -0.153 0.000 1.051 176 K CA 1.628 57.837 56.287 -0.132 0.000 0.953 176 K CB -0.114 32.326 32.500 -0.099 0.000 0.727 176 K HN 0.234 nan 8.250 nan 0.000 0.445 177 N N 0.187 118.788 118.700 -0.165 0.000 2.804 177 N HA 0.124 4.864 4.740 0.000 0.000 0.251 177 N C -2.336 173.027 175.510 -0.245 0.000 1.250 177 N CA -1.083 51.878 53.050 -0.149 0.000 0.820 177 N CB 1.668 40.131 38.487 -0.041 0.000 1.156 177 N HN 0.011 nan 8.380 nan 0.000 0.512 178 P HA -0.079 nan 4.420 nan 0.000 0.229 178 P C 1.173 178.043 177.300 -0.716 0.000 1.160 178 P CA 0.770 63.365 63.100 -0.841 0.000 0.777 178 P CB 0.457 31.600 31.700 -0.929 0.000 0.814 179 S N -0.796 114.717 115.700 -0.312 0.000 2.555 179 S HA -0.029 4.441 4.470 0.000 0.000 0.230 179 S C 1.508 176.062 174.600 -0.076 0.000 0.978 179 S CA 0.362 58.478 58.200 -0.139 0.000 0.934 179 S CB -0.671 62.493 63.200 -0.060 0.000 0.766 179 S HN -0.053 nan 8.310 nan 0.000 0.533 180 R N -0.907 119.567 120.500 -0.044 0.000 2.700 180 R HA 0.444 4.784 4.340 0.000 0.000 0.377 180 R C -0.297 176.040 176.300 0.061 0.000 1.130 180 R CA 0.043 56.151 56.100 0.014 0.000 1.055 180 R CB 0.043 30.360 30.300 0.027 0.000 1.387 180 R HN 0.381 nan 8.270 nan 0.000 0.580 181 F N -2.895 116.980 119.950 -0.126 0.000 2.675 181 F HA 0.153 4.680 4.527 0.000 0.000 0.315 181 F C 1.645 177.499 175.800 0.091 0.000 0.888 181 F CA -0.055 57.947 58.000 0.002 0.000 1.100 181 F CB 0.367 39.453 39.000 0.144 0.000 0.908 181 F HN 0.107 nan 8.300 nan 0.000 0.657 182 H N 0.099 119.339 119.070 0.283 0.000 2.353 182 H HA -0.077 4.479 4.556 0.000 0.000 0.300 182 H C 1.842 177.230 175.328 0.099 0.000 1.090 182 H CA 1.641 57.799 56.048 0.183 0.000 1.327 182 H CB -0.286 29.559 29.762 0.138 0.000 1.383 182 H HN 0.282 nan 8.280 nan 0.000 0.508 183 E N -0.111 120.191 120.200 0.170 0.000 2.472 183 E HA -0.004 4.346 4.350 0.000 0.000 0.196 183 E C 1.657 178.276 176.600 0.031 0.000 1.033 183 E CA -0.125 56.328 56.400 0.089 0.000 0.886 183 E CB 0.390 30.131 29.700 0.070 0.000 0.944 183 E HN 0.195 nan 8.360 nan 0.000 0.492 184 M N -0.611 118.988 119.600 -0.002 0.000 2.095 184 M HA 0.070 4.550 4.480 0.000 0.000 0.257 184 M C 1.830 178.104 176.300 -0.043 0.000 1.089 184 M CA 2.105 57.369 55.300 -0.060 0.000 1.138 184 M CB -0.299 32.203 32.600 -0.163 0.000 1.303 184 M HN 0.316 nan 8.290 nan 0.000 0.422 185 G N -1.929 106.849 108.800 -0.037 0.000 3.827 185 G HA2 0.211 4.171 3.960 0.000 0.000 0.218 185 G HA3 0.211 4.171 3.960 0.000 0.000 0.218 185 G C 0.264 175.161 174.900 -0.005 0.000 0.892 185 G CA 0.169 45.260 45.100 -0.015 0.000 0.857 185 G HN 0.689 nan 8.290 nan 0.000 0.508 186 A N 0.194 122.994 122.820 -0.034 0.000 2.275 186 A HA 0.894 5.214 4.320 0.000 0.000 0.282 186 A C 0.476 178.126 177.584 0.110 0.000 1.275 186 A CA 0.150 52.192 52.037 0.009 0.000 0.842 186 A CB 0.655 19.619 19.000 -0.061 0.000 1.280 186 A HN 0.530 nan 8.150 nan 0.000 0.508 187 R N -1.010 119.574 120.500 0.139 0.000 2.774 187 R HA 0.581 4.921 4.340 0.000 0.000 0.272 187 R C -1.992 174.352 176.300 0.073 0.000 1.000 187 R CA -0.646 55.528 56.100 0.123 0.000 0.906 187 R CB 1.325 31.658 30.300 0.054 0.000 1.227 187 R HN 0.602 nan 8.270 nan 0.000 0.468 188 I N 3.757 124.258 120.570 -0.115 0.000 2.569 188 I HA 0.306 4.476 4.170 0.000 0.000 0.296 188 I C -1.470 174.455 176.117 -0.319 0.000 1.028 188 I CA -2.592 58.495 61.300 -0.356 0.000 1.082 188 I CB 2.068 39.447 38.000 -1.035 0.000 1.264 188 I HN 0.559 nan 8.210 nan 0.000 0.429 189 P HA -0.284 nan 4.420 nan 0.000 0.229 189 P C 0.664 177.838 177.300 -0.209 0.000 1.152 189 P CA 2.208 65.200 63.100 -0.179 0.000 0.915 189 P CB 0.185 31.795 31.700 -0.149 0.000 0.784 190 K N -4.096 116.132 120.400 -0.286 0.000 3.507 190 K HA -0.192 4.128 4.320 0.000 0.000 0.287 190 K C 0.891 177.313 176.600 -0.297 0.000 0.922 190 K CA 1.485 57.616 56.287 -0.260 0.000 1.216 190 K CB -2.033 30.408 32.500 -0.098 0.000 1.428 190 K HN 0.497 nan 8.250 nan 0.000 0.453 191 G N -0.281 108.310 108.800 -0.349 0.000 2.706 191 G HA2 0.593 4.553 3.960 0.000 0.000 0.297 191 G HA3 0.593 4.553 3.960 0.000 0.000 0.297 191 G C -1.574 173.176 174.900 -0.249 0.000 1.403 191 G CA -0.455 44.289 45.100 -0.593 0.000 0.954 191 G HN 0.039 nan 8.290 nan 0.000 0.500 192 V N 1.960 121.894 119.914 0.034 0.000 2.612 192 V HA 0.445 4.565 4.120 0.000 0.000 0.301 192 V C -0.869 175.499 176.094 0.457 0.000 1.059 192 V CA -0.724 61.723 62.300 0.245 0.000 0.886 192 V CB 1.658 33.565 31.823 0.139 0.000 1.007 192 V HN 0.850 nan 8.190 nan 0.000 0.426 193 L N 7.385 128.862 121.223 0.422 0.000 2.264 193 L HA 0.724 5.064 4.340 0.000 0.000 0.289 193 L C -0.468 176.485 176.870 0.138 0.000 1.044 193 L CA 0.095 55.060 54.840 0.209 0.000 0.807 193 L CB 1.061 43.127 42.059 0.011 0.000 1.192 193 L HN 0.660 nan 8.230 nan 0.000 0.425 194 L N 4.284 125.589 121.223 0.137 0.000 2.322 194 L HA 0.901 5.241 4.340 0.000 0.000 0.279 194 L C -0.853 176.059 176.870 0.071 0.000 1.036 194 L CA -0.757 54.146 54.840 0.104 0.000 0.807 194 L CB 1.730 43.864 42.059 0.124 0.000 1.226 194 L HN 0.368 nan 8.230 nan 0.000 0.433 195 V N 2.055 121.997 119.914 0.046 0.000 2.735 195 V HA 0.996 5.116 4.120 0.000 0.000 0.310 195 V C 0.385 176.492 176.094 0.020 0.000 1.061 195 V CA 0.308 62.622 62.300 0.023 0.000 0.913 195 V CB 1.601 33.427 31.823 0.005 0.000 1.005 195 V HN 1.201 nan 8.190 nan 0.000 0.428 196 G N 4.846 113.654 108.800 0.015 0.000 2.342 196 G HA2 0.530 4.490 3.960 0.000 0.000 0.297 196 G HA3 0.530 4.490 3.960 0.000 0.000 0.297 196 G C -3.458 171.444 174.900 0.003 0.000 1.313 196 G CA -0.672 44.434 45.100 0.009 0.000 0.830 196 G HN 0.509 nan 8.290 nan 0.000 0.506 197 P HA 0.289 nan 4.420 nan 0.000 0.296 197 P C -2.536 174.759 177.300 -0.008 0.000 1.295 197 P CA -0.762 62.331 63.100 -0.012 0.000 0.754 197 P CB -0.079 31.608 31.700 -0.021 0.000 1.311 198 P HA 0.209 nan 4.420 nan 0.000 0.291 198 P C -0.054 177.234 177.300 -0.020 0.000 1.340 198 P CA 0.044 63.135 63.100 -0.015 0.000 0.799 198 P CB -0.007 31.677 31.700 -0.027 0.000 0.917 199 G N 2.361 111.162 108.800 0.003 0.000 2.417 199 G HA2 -0.199 3.761 3.960 0.000 0.000 0.291 199 G HA3 -0.199 3.761 3.960 0.000 0.000 0.291 199 G C 0.313 175.209 174.900 -0.008 0.000 1.094 199 G CA -0.096 45.004 45.100 -0.000 0.000 1.146 199 G HN 0.463 nan 8.290 nan 0.000 0.519 200 V N -0.287 119.634 119.914 0.012 0.000 3.263 200 V HA 0.598 4.718 4.120 0.000 0.000 0.248 200 V C 1.931 178.036 176.094 0.019 0.000 1.145 200 V CA 2.447 64.752 62.300 0.008 0.000 1.107 200 V CB 0.444 32.274 31.823 0.012 0.000 0.797 200 V HN 2.077 nan 8.190 nan 0.000 0.467 201 G N -0.795 108.033 108.800 0.045 0.000 3.290 201 G HA2 -0.094 3.866 3.960 0.000 0.000 0.220 201 G HA3 -0.094 3.866 3.960 0.000 0.000 0.220 201 G C 0.774 175.736 174.900 0.104 0.000 0.940 201 G CA 0.238 45.392 45.100 0.089 0.000 0.884 201 G HN 0.272 nan 8.290 nan 0.000 0.649 202 K N 0.304 120.765 120.400 0.100 0.000 1.963 202 K HA -0.053 4.267 4.320 0.000 0.000 0.216 202 K C 2.497 179.164 176.600 0.112 0.000 1.045 202 K CA 1.951 58.315 56.287 0.129 0.000 0.954 202 K CB -0.535 32.072 32.500 0.178 0.000 0.732 202 K HN 0.188 nan 8.250 nan 0.000 0.442 203 T N 0.404 115.056 114.554 0.163 0.000 2.737 203 T HA -0.207 4.143 4.350 0.000 0.000 0.269 203 T C 1.740 176.364 174.700 -0.127 0.000 1.040 203 T CA 1.803 63.857 62.100 -0.077 0.000 1.142 203 T CB -0.488 68.474 68.868 0.157 0.000 0.861 203 T HN 0.329 nan 8.240 nan 0.000 0.456 204 H N 0.629 119.637 119.070 -0.103 0.000 2.319 204 H HA 0.008 4.564 4.556 0.000 0.000 0.297 204 H C 1.967 177.170 175.328 -0.208 0.000 1.097 204 H CA 1.359 57.332 56.048 -0.125 0.000 1.285 204 H CB -0.555 29.165 29.762 -0.071 0.000 1.368 204 H HN 0.227 nan 8.280 nan 0.000 0.495 205 L N -0.440 120.647 121.223 -0.227 0.000 2.217 205 L HA 0.023 4.363 4.340 0.000 0.000 0.211 205 L C 2.630 179.313 176.870 -0.311 0.000 1.107 205 L CA 1.040 55.672 54.840 -0.347 0.000 0.783 205 L CB -0.531 41.389 42.059 -0.232 0.000 0.919 205 L HN 0.412 nan 8.230 nan 0.000 0.442 206 A N -0.164 122.473 122.820 -0.305 0.000 1.858 206 A HA -0.236 4.084 4.320 0.000 0.000 0.216 206 A C 2.382 179.577 177.584 -0.648 0.000 1.190 206 A CA 1.722 53.540 52.037 -0.366 0.000 0.617 206 A CB -0.491 18.027 19.000 -0.804 0.000 0.827 206 A HN 0.323 nan 8.150 nan 0.000 0.443 207 R N -0.614 119.335 120.500 -0.918 0.000 2.094 207 R HA -0.164 4.176 4.340 0.000 0.000 0.239 207 R C 2.500 178.419 176.300 -0.637 0.000 1.137 207 R CA 1.429 56.827 56.100 -1.171 0.000 0.943 207 R CB -0.607 29.323 30.300 -0.616 0.000 0.850 207 R HN 0.524 nan 8.270 nan 0.000 0.433 208 A N 0.593 123.142 122.820 -0.451 0.000 1.948 208 A HA -0.160 4.160 4.320 0.000 0.000 0.220 208 A C 2.347 179.968 177.584 0.061 0.000 1.177 208 A CA 1.733 53.610 52.037 -0.266 0.000 0.636 208 A CB -0.563 18.131 19.000 -0.509 0.000 0.815 208 A HN 0.164 nan 8.150 nan 0.000 0.449 209 V N -0.530 119.413 119.914 0.047 0.000 2.427 209 V HA -0.184 3.936 4.120 0.000 0.000 0.248 209 V C 2.978 179.075 176.094 0.006 0.000 1.051 209 V CA 1.747 64.168 62.300 0.202 0.000 1.048 209 V CB -1.138 30.772 31.823 0.145 0.000 0.666 209 V HN 0.636 nan 8.190 nan 0.000 0.456 210 A N 0.715 123.446 122.820 -0.148 0.000 1.855 210 A HA -0.043 4.277 4.320 0.000 0.000 0.215 210 A C 2.426 179.960 177.584 -0.083 0.000 1.191 210 A CA 1.843 53.807 52.037 -0.121 0.000 0.613 210 A CB -1.272 17.576 19.000 -0.252 0.000 0.829 210 A HN 0.498 nan 8.150 nan 0.000 0.442 211 G N -0.586 108.143 108.800 -0.117 0.000 2.422 211 G HA2 -0.184 3.776 3.960 0.000 0.000 0.218 211 G HA3 -0.184 3.776 3.960 0.000 0.000 0.218 211 G C 1.427 176.302 174.900 -0.043 0.000 1.140 211 G CA 1.312 46.371 45.100 -0.067 0.000 0.775 211 G HN 0.621 nan 8.290 nan 0.000 0.545 212 E N 0.924 121.106 120.200 -0.031 0.000 2.047 212 E HA 0.059 4.409 4.350 0.000 0.000 0.191 212 E C 2.410 178.948 176.600 -0.104 0.000 0.987 212 E CA 1.364 57.719 56.400 -0.075 0.000 0.799 212 E CB -0.398 29.205 29.700 -0.161 0.000 0.752 212 E HN 0.264 nan 8.360 nan 0.000 0.449 213 A N 0.024 122.792 122.820 -0.087 0.000 2.238 213 A HA 0.200 4.520 4.320 0.000 0.000 0.208 213 A C 0.238 177.788 177.584 -0.057 0.000 1.177 213 A CA 0.350 52.338 52.037 -0.080 0.000 0.804 213 A CB -0.345 18.617 19.000 -0.064 0.000 0.823 213 A HN 0.252 nan 8.150 nan 0.000 0.482 214 R N -1.725 118.748 120.500 -0.045 0.000 3.059 214 R HA -0.126 4.214 4.340 0.000 0.000 0.251 214 R C -0.931 175.361 176.300 -0.013 0.000 0.886 214 R CA 0.849 56.932 56.100 -0.028 0.000 0.634 214 R CB -2.092 28.189 30.300 -0.033 0.000 1.282 214 R HN 0.265 nan 8.270 nan 0.000 0.487 215 V N 1.600 121.519 119.914 0.009 0.000 2.925 215 V HA 0.567 4.687 4.120 0.000 0.000 0.311 215 V C -2.103 174.052 176.094 0.103 0.000 1.104 215 V CA -2.431 59.896 62.300 0.045 0.000 0.954 215 V CB 2.686 34.536 31.823 0.045 0.000 1.022 215 V HN 0.131 nan 8.190 nan 0.000 0.427 216 P HA 0.132 nan 4.420 nan 0.000 0.268 216 P C -1.250 176.227 177.300 0.294 0.000 1.205 216 P CA 0.107 63.336 63.100 0.215 0.000 0.771 216 P CB 0.165 32.048 31.700 0.305 0.000 0.858 217 F N 4.429 124.429 119.950 0.083 0.000 2.361 217 F HA 0.406 4.933 4.527 0.000 0.000 0.364 217 F C -0.531 175.315 175.800 0.077 0.000 1.117 217 F CA -1.265 56.775 58.000 0.067 0.000 1.071 217 F CB 0.306 39.326 39.000 0.033 0.000 1.188 217 F HN 0.110 nan 8.300 nan 0.000 0.464 218 I N 5.446 125.872 120.570 -0.241 0.000 2.339 218 I HA 0.252 4.422 4.170 0.000 0.000 0.290 218 I C 0.117 175.971 176.117 -0.438 0.000 0.994 218 I CA -0.274 60.863 61.300 -0.272 0.000 1.191 218 I CB 1.466 39.393 38.000 -0.122 0.000 1.343 218 I HN 0.563 nan 8.210 nan 0.000 0.458 219 T N 3.460 117.803 114.554 -0.352 0.000 2.876 219 T HA 0.868 5.218 4.350 0.000 0.000 0.289 219 T C -0.850 173.809 174.700 -0.067 0.000 1.014 219 T CA -0.638 61.356 62.100 -0.176 0.000 0.986 219 T CB 2.243 71.028 68.868 -0.139 0.000 1.021 219 T HN 0.804 nan 8.240 nan 0.000 0.458 220 A N 2.417 125.224 122.820 -0.022 0.000 2.500 220 A HA 0.634 4.954 4.320 0.000 0.000 0.291 220 A C -0.224 177.376 177.584 0.028 0.000 1.048 220 A CA -0.739 51.304 52.037 0.011 0.000 0.791 220 A CB 1.466 20.521 19.000 0.091 0.000 1.309 220 A HN 0.809 nan 8.150 nan 0.000 0.397 221 S N 1.228 116.931 115.700 0.006 0.000 2.505 221 S HA 0.407 4.877 4.470 0.000 0.000 0.276 221 S C 1.749 176.402 174.600 0.087 0.000 1.274 221 S CA 0.482 58.683 58.200 0.002 0.000 1.053 221 S CB 1.113 64.308 63.200 -0.009 0.000 0.919 221 S HN 1.425 nan 8.310 nan 0.000 0.490 222 G N 3.249 112.108 108.800 0.099 0.000 2.606 222 G HA2 -0.268 3.692 3.960 0.000 0.000 0.221 222 G HA3 -0.268 3.692 3.960 0.000 0.000 0.221 222 G C 1.648 176.681 174.900 0.222 0.000 1.152 222 G CA 1.444 46.666 45.100 0.203 0.000 0.765 222 G HN 0.679 nan 8.290 nan 0.000 0.595 223 S N 0.608 116.352 115.700 0.073 0.000 2.409 223 S HA -0.193 4.277 4.470 0.000 0.000 0.237 223 S C 1.900 176.498 174.600 -0.002 0.000 1.060 223 S CA 1.639 59.855 58.200 0.026 0.000 1.052 223 S CB -0.378 62.818 63.200 -0.007 0.000 0.871 223 S HN 0.523 nan 8.310 nan 0.000 0.465 224 D N -0.345 120.005 120.400 -0.083 0.000 2.309 224 D HA -0.051 4.589 4.640 0.000 0.000 0.212 224 D C 1.095 177.197 176.300 -0.329 0.000 0.968 224 D CA 0.835 54.681 54.000 -0.255 0.000 0.882 224 D CB -0.140 40.406 40.800 -0.423 0.000 0.918 224 D HN 0.474 nan 8.370 nan 0.000 0.503 225 F N -0.106 119.824 119.950 -0.033 0.000 2.698 225 F HA 0.002 4.529 4.527 0.000 0.000 0.295 225 F C 2.172 177.960 175.800 -0.019 0.000 1.124 225 F CA 0.097 58.082 58.000 -0.025 0.000 1.426 225 F CB 0.391 39.374 39.000 -0.029 0.000 1.120 225 F HN -0.186 nan 8.300 nan 0.000 0.583 226 V N -1.515 118.473 119.914 0.122 0.000 3.379 226 V HA -0.011 4.109 4.120 0.000 0.000 0.249 226 V C 1.768 177.875 176.094 0.020 0.000 1.184 226 V CA 0.495 62.830 62.300 0.059 0.000 1.106 226 V CB -0.032 31.813 31.823 0.037 0.000 0.826 226 V HN 0.065 nan 8.190 nan 0.000 0.465 227 E N 0.432 120.637 120.200 0.008 0.000 2.233 227 E HA -0.175 4.175 4.350 0.000 0.000 0.199 227 E C 0.928 177.537 176.600 0.015 0.000 1.004 227 E CA 1.234 57.632 56.400 -0.003 0.000 0.819 227 E CB -0.143 29.544 29.700 -0.022 0.000 0.738 227 E HN 0.542 nan 8.360 nan 0.000 0.478 228 M N -0.822 118.794 119.600 0.027 0.000 2.245 228 M HA 0.199 4.679 4.480 0.000 0.000 0.292 228 M C 0.367 176.730 176.300 0.105 0.000 1.176 228 M CA -0.686 54.657 55.300 0.070 0.000 1.035 228 M CB 0.393 33.028 32.600 0.059 0.000 1.440 228 M HN -0.118 nan 8.290 nan 0.000 0.494 229 F N 0.139 120.089 119.950 -0.001 0.000 2.378 229 F HA 0.169 4.696 4.527 0.000 0.000 0.290 229 F C 0.077 175.883 175.800 0.010 0.000 1.282 229 F CA -0.261 57.740 58.000 0.003 0.000 1.278 229 F CB 0.554 39.554 39.000 0.000 0.000 1.364 229 F HN 0.125 nan 8.300 nan 0.000 0.514 230 V N 2.492 122.287 119.914 -0.199 0.000 2.370 230 V HA 0.458 4.578 4.120 0.000 0.000 0.257 230 V C 0.611 176.804 176.094 0.165 0.000 1.064 230 V CA 0.864 63.129 62.300 -0.059 0.000 0.975 230 V CB -0.454 31.252 31.823 -0.194 0.000 1.067 230 V HN 1.042 nan 8.190 nan 0.000 0.485 231 G N 3.529 112.398 108.800 0.115 0.000 3.532 231 G HA2 -0.200 3.760 3.960 0.000 0.000 0.196 231 G HA3 -0.200 3.760 3.960 0.000 0.000 0.196 231 G C 0.594 175.554 174.900 0.101 0.000 2.074 231 G CA 0.077 45.244 45.100 0.112 0.000 1.323 231 G HN 0.490 nan 8.290 nan 0.000 0.439 232 V N 3.027 123.010 119.914 0.116 0.000 2.982 232 V HA 0.099 4.219 4.120 0.000 0.000 0.265 232 V C 2.918 179.073 176.094 0.103 0.000 1.122 232 V CA 2.641 64.997 62.300 0.093 0.000 1.143 232 V CB -1.258 30.613 31.823 0.081 0.000 0.726 232 V HN 0.822 nan 8.190 nan 0.000 0.507 233 G N 0.364 109.230 108.800 0.110 0.000 2.433 233 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 233 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 233 G C 1.766 176.758 174.900 0.154 0.000 1.186 233 G CA 1.105 46.288 45.100 0.139 0.000 0.779 233 G HN 0.614 nan 8.290 nan 0.000 0.543 234 A N 1.233 124.115 122.820 0.102 0.000 1.877 234 A HA 0.228 4.548 4.320 0.000 0.000 0.216 234 A C 2.866 180.510 177.584 0.101 0.000 1.186 234 A CA 2.505 54.593 52.037 0.085 0.000 0.620 234 A CB -0.997 18.039 19.000 0.061 0.000 0.822 234 A HN 0.898 nan 8.150 nan 0.000 0.443 235 A N -0.505 122.372 122.820 0.095 0.000 1.892 235 A HA -0.221 4.099 4.320 0.000 0.000 0.218 235 A C 2.176 179.828 177.584 0.113 0.000 1.188 235 A CA 1.821 53.910 52.037 0.087 0.000 0.631 235 A CB -0.524 18.516 19.000 0.067 0.000 0.822 235 A HN 0.368 nan 8.150 nan 0.000 0.447 236 R N -0.416 120.175 120.500 0.151 0.000 2.159 236 R HA -0.081 4.259 4.340 0.000 0.000 0.237 236 R C 2.063 178.562 176.300 0.331 0.000 1.131 236 R CA 1.371 57.587 56.100 0.194 0.000 0.982 236 R CB -1.252 29.133 30.300 0.141 0.000 0.868 236 R HN 0.487 nan 8.270 nan 0.000 0.453 237 V N 0.531 120.614 119.914 0.281 0.000 2.283 237 V HA -0.142 3.978 4.120 0.000 0.000 0.243 237 V C 2.620 178.798 176.094 0.140 0.000 1.039 237 V CA 1.572 63.944 62.300 0.119 0.000 1.016 237 V CB -0.557 31.265 31.823 -0.002 0.000 0.650 237 V HN 0.258 nan 8.190 nan 0.000 0.449 238 R N 0.815 121.403 120.500 0.147 0.000 2.096 238 R HA -0.243 4.097 4.340 0.000 0.000 0.240 238 R C 2.140 178.529 176.300 0.148 0.000 1.139 238 R CA 2.275 58.467 56.100 0.152 0.000 0.952 238 R CB -0.570 29.788 30.300 0.097 0.000 0.854 238 R HN 0.738 nan 8.270 nan 0.000 0.436 239 D N 0.474 120.937 120.400 0.105 0.000 2.317 239 D HA -0.149 4.491 4.640 0.000 0.000 0.211 239 D C 1.955 178.286 176.300 0.051 0.000 0.966 239 D CA 0.568 54.615 54.000 0.077 0.000 0.876 239 D CB -0.142 40.692 40.800 0.055 0.000 0.927 239 D HN 0.410 nan 8.370 nan 0.000 0.519 240 L N -1.370 119.870 121.223 0.029 0.000 2.156 240 L HA 0.110 4.450 4.340 0.000 0.000 0.208 240 L C 1.741 178.530 176.870 -0.136 0.000 1.095 240 L CA 1.209 55.996 54.840 -0.088 0.000 0.770 240 L CB -0.466 41.509 42.059 -0.140 0.000 0.914 240 L HN -0.130 nan 8.230 nan 0.000 0.439 241 F N -0.770 119.237 119.950 0.094 0.000 2.727 241 F HA 0.158 4.685 4.527 0.000 0.000 0.302 241 F C 2.064 177.929 175.800 0.109 0.000 1.097 241 F CA -0.057 58.018 58.000 0.126 0.000 1.330 241 F CB 0.339 39.421 39.000 0.137 0.000 1.084 241 F HN 0.109 nan 8.300 nan 0.000 0.578 242 E N -0.694 119.639 120.200 0.222 0.000 2.474 242 E HA 0.005 4.355 4.350 0.000 0.000 0.195 242 E C 1.545 178.204 176.600 0.099 0.000 1.039 242 E CA 0.238 56.728 56.400 0.149 0.000 0.881 242 E CB 0.387 30.151 29.700 0.107 0.000 0.970 242 E HN 0.196 nan 8.360 nan 0.000 0.486 243 T N -0.144 114.448 114.554 0.064 0.000 2.983 243 T HA 0.082 4.432 4.350 0.000 0.000 0.250 243 T C 1.753 176.402 174.700 -0.085 0.000 1.037 243 T CA 0.849 62.936 62.100 -0.022 0.000 1.142 243 T CB 0.223 69.053 68.868 -0.063 0.000 0.876 243 T HN 0.164 nan 8.240 nan 0.000 0.455 244 A N 1.100 123.924 122.820 0.006 0.000 2.067 244 A HA 0.095 4.415 4.320 0.000 0.000 0.217 244 A C 2.155 179.819 177.584 0.133 0.000 1.156 244 A CA 1.056 53.114 52.037 0.035 0.000 0.683 244 A CB -0.273 18.826 19.000 0.166 0.000 0.808 244 A HN 0.334 nan 8.150 nan 0.000 0.455 245 K N -0.367 120.149 120.400 0.194 0.000 2.097 245 K HA -0.062 4.258 4.320 0.000 0.000 0.205 245 K C 2.152 178.848 176.600 0.160 0.000 1.050 245 K CA 0.957 57.358 56.287 0.190 0.000 0.938 245 K CB -0.128 32.491 32.500 0.199 0.000 0.718 245 K HN 0.363 nan 8.250 nan 0.000 0.442 246 R N -0.174 120.427 120.500 0.168 0.000 2.148 246 R HA -0.056 4.284 4.340 0.000 0.000 0.227 246 R C 0.238 176.738 176.300 0.332 0.000 1.103 246 R CA 0.805 57.038 56.100 0.222 0.000 0.983 246 R CB -0.058 30.384 30.300 0.236 0.000 0.874 246 R HN 0.388 nan 8.270 nan 0.000 0.451 247 H N -0.244 118.863 119.070 0.062 0.000 2.746 247 H HA 0.366 4.922 4.556 0.000 0.000 0.269 247 H C -0.719 174.635 175.328 0.043 0.000 1.248 247 H CA -0.758 55.320 56.048 0.049 0.000 1.258 247 H CB 0.964 30.759 29.762 0.054 0.000 1.441 247 H HN 0.091 nan 8.280 nan 0.000 0.508 248 A N 5.110 128.007 122.820 0.129 0.000 2.256 248 A HA 0.426 4.746 4.320 0.000 0.000 0.317 248 A C -2.068 175.532 177.584 0.026 0.000 1.318 248 A CA -1.229 50.850 52.037 0.070 0.000 0.894 248 A CB 0.397 19.433 19.000 0.059 0.000 1.165 248 A HN 0.449 nan 8.150 nan 0.000 0.525 249 P HA 0.822 nan 4.420 nan 0.000 0.287 249 P C -0.529 176.815 177.300 0.073 0.000 1.296 249 P CA -0.563 62.545 63.100 0.013 0.000 0.811 249 P CB 1.122 32.779 31.700 -0.072 0.000 1.211 250 C N -2.071 117.282 119.300 0.089 0.000 3.253 250 C HA 0.647 5.108 4.460 0.000 0.000 0.342 250 C C -1.634 173.441 174.990 0.142 0.000 1.306 250 C CA -0.866 58.234 59.018 0.137 0.000 1.207 250 C CB 0.001 27.849 27.740 0.179 0.000 1.479 250 C HN 0.502 nan 8.230 nan 0.000 0.469 251 I N 2.871 123.568 120.570 0.212 0.000 2.355 251 I HA 0.509 4.679 4.170 0.000 0.000 0.288 251 I C -0.001 176.264 176.117 0.247 0.000 0.999 251 I CA -0.515 60.942 61.300 0.262 0.000 1.163 251 I CB 1.761 39.977 38.000 0.360 0.000 1.316 251 I HN 0.649 nan 8.210 nan 0.000 0.454 252 V N 6.201 126.236 119.914 0.202 0.000 2.607 252 V HA 0.334 4.454 4.120 0.000 0.000 0.289 252 V C -0.535 175.720 176.094 0.268 0.000 1.053 252 V CA -0.583 61.809 62.300 0.153 0.000 0.996 252 V CB 1.353 33.281 31.823 0.175 0.000 0.995 252 V HN 0.556 nan 8.190 nan 0.000 0.476 253 F N 5.429 125.368 119.950 -0.018 0.000 3.034 253 F HA 0.653 5.180 4.527 0.000 0.000 0.371 253 F C -0.764 175.053 175.800 0.028 0.000 1.233 253 F CA -0.801 57.231 58.000 0.053 0.000 1.134 253 F CB 0.761 39.788 39.000 0.045 0.000 1.495 253 F HN 0.354 nan 8.300 nan 0.000 0.563 254 I N 4.507 124.873 120.570 -0.341 0.000 2.395 254 I HA 0.282 4.452 4.170 0.000 0.000 0.289 254 I C -0.196 175.529 176.117 -0.653 0.000 1.023 254 I CA -0.115 60.977 61.300 -0.347 0.000 1.350 254 I CB 0.798 38.712 38.000 -0.143 0.000 1.409 254 I HN 0.452 nan 8.210 nan 0.000 0.507 255 D N 4.885 124.984 120.400 -0.503 0.000 2.185 255 D HA 0.271 4.911 4.640 0.000 0.000 0.247 255 D C -0.293 175.904 176.300 -0.172 0.000 1.027 255 D CA -0.427 53.336 54.000 -0.395 0.000 0.861 255 D CB 0.915 41.592 40.800 -0.205 0.000 1.202 255 D HN 0.606 nan 8.370 nan 0.000 0.453 256 E N 1.561 121.684 120.200 -0.128 0.000 2.183 256 E HA -0.282 4.068 4.350 0.000 0.000 0.196 256 E C 0.825 177.368 176.600 -0.094 0.000 1.364 256 E CA 0.379 56.727 56.400 -0.086 0.000 0.700 256 E CB -2.028 27.644 29.700 -0.046 0.000 1.106 256 E HN 0.599 nan 8.360 nan 0.000 0.347 257 I N 0.269 120.752 120.570 -0.145 0.000 2.850 257 I HA -0.249 3.921 4.170 0.000 0.000 0.266 257 I C 1.463 177.503 176.117 -0.129 0.000 1.257 257 I CA 1.160 62.365 61.300 -0.158 0.000 1.465 257 I CB -0.055 37.792 38.000 -0.254 0.000 1.091 257 I HN 0.312 nan 8.210 nan 0.000 0.467 258 D N 1.535 121.869 120.400 -0.109 0.000 2.315 258 D HA -0.254 4.386 4.640 0.000 0.000 0.198 258 D C 1.728 177.989 176.300 -0.064 0.000 1.010 258 D CA 1.633 55.584 54.000 -0.081 0.000 0.911 258 D CB 0.090 40.852 40.800 -0.063 0.000 0.897 258 D HN 0.575 nan 8.370 nan 0.000 0.455 259 A N -0.460 122.329 122.820 -0.052 0.000 2.345 259 A HA 0.212 4.532 4.320 0.000 0.000 0.225 259 A C 1.670 179.239 177.584 -0.024 0.000 1.243 259 A CA 0.090 52.111 52.037 -0.028 0.000 0.875 259 A CB 0.427 19.426 19.000 -0.002 0.000 0.929 259 A HN 0.169 nan 8.150 nan 0.000 0.502 260 V N -4.241 115.642 119.914 -0.052 0.000 3.426 260 V HA 0.377 4.497 4.120 0.000 0.000 0.279 260 V C 0.989 177.048 176.094 -0.059 0.000 1.544 260 V CA 0.322 62.590 62.300 -0.054 0.000 1.017 260 V CB -0.098 31.675 31.823 -0.083 0.000 0.821 260 V HN 0.344 nan 8.190 nan 0.000 0.432 261 G N 1.286 110.043 108.800 -0.071 0.000 2.547 261 G HA2 0.693 4.654 3.960 0.000 0.000 0.327 261 G HA3 0.693 4.654 3.960 0.000 0.000 0.327 261 G C -0.482 174.378 174.900 -0.067 0.000 1.118 261 G CA -0.339 44.724 45.100 -0.062 0.000 1.022 261 G HN 0.218 nan 8.290 nan 0.000 0.464 262 R N 1.428 121.880 120.500 -0.080 0.000 4.106 262 R HA 0.226 4.566 4.340 0.000 0.000 0.252 262 R C -2.241 173.941 176.300 -0.197 0.000 0.977 262 R CA -0.625 55.391 56.100 -0.140 0.000 1.118 262 R CB 1.522 31.750 30.300 -0.119 0.000 1.237 262 R HN 0.580 nan 8.270 nan 0.000 0.587 263 K N 3.454 123.636 120.400 -0.364 0.000 2.570 263 K HA 0.386 4.706 4.320 0.000 0.000 0.256 263 K C -0.840 175.450 176.600 -0.516 0.000 0.939 263 K CA -0.406 55.660 56.287 -0.369 0.000 0.833 263 K CB 1.697 34.022 32.500 -0.290 0.000 1.318 263 K HN 0.773 nan 8.250 nan 0.000 0.433 264 R N 0.899 121.230 120.500 -0.283 0.000 3.969 264 R HA 0.198 4.538 4.340 0.000 0.000 0.120 264 R C 0.260 176.498 176.300 -0.103 0.000 0.681 264 R CA 0.937 56.913 56.100 -0.207 0.000 1.259 264 R CB 1.054 31.256 30.300 -0.163 0.000 1.619 264 R HN 0.815 nan 8.270 nan 0.000 0.452 265 G N 1.106 109.854 108.800 -0.087 0.000 3.136 265 G HA2 -0.158 3.802 3.960 0.000 0.000 0.221 265 G HA3 -0.158 3.802 3.960 0.000 0.000 0.221 265 G C 0.413 175.282 174.900 -0.051 0.000 0.961 265 G CA 0.466 45.532 45.100 -0.057 0.000 0.983 265 G HN 0.394 nan 8.290 nan 0.000 0.648 266 S N -0.283 115.382 115.700 -0.058 0.000 2.324 266 S HA 0.359 4.829 4.470 0.000 0.000 0.210 266 S C 1.732 176.305 174.600 -0.044 0.000 1.027 266 S CA 1.243 59.414 58.200 -0.049 0.000 0.945 266 S CB -0.250 62.919 63.200 -0.052 0.000 0.908 266 S HN 1.380 nan 8.310 nan 0.000 0.496 267 G N 2.483 111.255 108.800 -0.048 0.000 3.209 267 G HA2 0.507 4.467 3.960 0.000 0.000 0.274 267 G HA3 0.507 4.467 3.960 0.000 0.000 0.274 267 G C -0.440 174.435 174.900 -0.043 0.000 0.850 267 G CA -0.531 44.543 45.100 -0.043 0.000 1.907 267 G HN 0.387 nan 8.290 nan 0.000 0.591 268 V N 2.046 121.937 119.914 -0.038 0.000 2.403 268 V HA 0.516 4.636 4.120 0.000 0.000 0.265 268 V C 1.294 177.368 176.094 -0.033 0.000 1.034 268 V CA 1.423 63.702 62.300 -0.035 0.000 1.036 268 V CB 0.128 31.933 31.823 -0.030 0.000 1.032 268 V HN 0.860 nan 8.190 nan 0.000 0.478 269 G N 4.502 113.279 108.800 -0.038 0.000 4.142 269 G HA2 0.092 4.052 3.960 0.000 0.000 0.131 269 G HA3 0.092 4.052 3.960 0.000 0.000 0.131 269 G C 0.628 175.498 174.900 -0.051 0.000 2.153 269 G CA 0.136 45.213 45.100 -0.038 0.000 0.993 269 G HN 1.088 nan 8.290 nan 0.000 0.294 270 G N 0.367 109.134 108.800 -0.055 0.000 4.716 270 G HA2 0.566 4.526 3.960 0.000 0.000 0.282 270 G HA3 0.566 4.526 3.960 0.000 0.000 0.282 270 G C 0.569 175.426 174.900 -0.071 0.000 1.173 270 G CA 0.984 46.041 45.100 -0.072 0.000 0.913 270 G HN 1.514 nan 8.290 nan 0.000 0.566 271 G N -0.066 108.695 108.800 -0.065 0.000 3.738 271 G HA2 0.072 4.032 3.960 0.000 0.000 0.241 271 G HA3 0.072 4.032 3.960 0.000 0.000 0.241 271 G C 0.759 175.621 174.900 -0.063 0.000 1.068 271 G CA 0.303 45.365 45.100 -0.063 0.000 0.899 271 G HN 0.256 nan 8.290 nan 0.000 0.519 272 N N 1.211 119.874 118.700 -0.062 0.000 2.335 272 N HA -0.017 4.723 4.740 0.000 0.000 0.197 272 N C 1.352 176.832 175.510 -0.050 0.000 1.045 272 N CA 1.077 54.094 53.050 -0.055 0.000 0.928 272 N CB 0.141 38.600 38.487 -0.047 0.000 1.118 272 N HN -0.028 nan 8.380 nan 0.000 0.471 273 D N 0.315 120.683 120.400 -0.054 0.000 2.312 273 D HA -0.067 4.574 4.640 0.000 0.000 0.211 273 D C 1.029 177.299 176.300 -0.051 0.000 0.964 273 D CA 0.572 54.545 54.000 -0.046 0.000 0.877 273 D CB 0.089 40.860 40.800 -0.049 0.000 0.924 273 D HN 0.525 nan 8.370 nan 0.000 0.515 274 E N -0.042 120.117 120.200 -0.069 0.000 2.299 274 E HA 0.011 4.361 4.350 0.000 0.000 0.193 274 E C 1.919 178.499 176.600 -0.033 0.000 0.998 274 E CA 0.249 56.612 56.400 -0.061 0.000 0.851 274 E CB 0.433 30.079 29.700 -0.090 0.000 0.795 274 E HN -0.007 nan 8.360 nan 0.000 0.492 275 R N 0.065 120.543 120.500 -0.036 0.000 2.175 275 R HA 0.010 4.350 4.340 0.000 0.000 0.202 275 R C 1.967 178.256 176.300 -0.018 0.000 1.018 275 R CA 0.437 56.519 56.100 -0.030 0.000 1.029 275 R CB -0.013 30.260 30.300 -0.046 0.000 0.959 275 R HN 0.238 nan 8.270 nan 0.000 0.480 276 E N 1.065 121.255 120.200 -0.017 0.000 2.058 276 E HA -0.201 4.149 4.350 0.000 0.000 0.194 276 E C 1.634 178.239 176.600 0.008 0.000 0.997 276 E CA 1.240 57.640 56.400 -0.000 0.000 0.801 276 E CB 0.238 29.936 29.700 -0.003 0.000 0.746 276 E HN 0.250 nan 8.360 nan 0.000 0.450 277 Q N -0.105 119.698 119.800 0.004 0.000 1.864 277 Q HA -0.088 4.252 4.340 0.000 0.000 0.219 277 Q C 2.404 178.414 176.000 0.016 0.000 0.975 277 Q CA 1.833 57.643 55.803 0.013 0.000 0.862 277 Q CB -0.554 28.193 28.738 0.015 0.000 0.913 277 Q HN 0.320 nan 8.270 nan 0.000 0.431 278 T N 2.639 117.205 114.554 0.019 0.000 2.635 278 T HA -0.255 4.095 4.350 0.000 0.000 0.265 278 T C 1.877 176.575 174.700 -0.004 0.000 1.058 278 T CA 2.042 64.157 62.100 0.024 0.000 1.162 278 T CB -0.640 68.254 68.868 0.042 0.000 0.859 278 T HN 0.227 nan 8.240 nan 0.000 0.449 279 L N 1.771 122.989 121.223 -0.009 0.000 2.017 279 L HA 0.009 4.349 4.340 0.000 0.000 0.208 279 L C 1.144 178.019 176.870 0.007 0.000 1.073 279 L CA 1.742 56.574 54.840 -0.014 0.000 0.745 279 L CB -0.732 41.323 42.059 -0.007 0.000 0.894 279 L HN 0.083 nan 8.230 nan 0.000 0.432 280 N N 0.101 118.812 118.700 0.018 0.000 2.581 280 N HA -0.039 4.701 4.740 0.000 0.000 0.230 280 N C 0.943 176.463 175.510 0.017 0.000 1.310 280 N CA 0.277 53.342 53.050 0.026 0.000 0.886 280 N CB 0.200 38.707 38.487 0.032 0.000 1.205 280 N HN 0.553 nan 8.380 nan 0.000 0.488 281 Q N -0.133 119.676 119.800 0.015 0.000 2.619 281 Q HA 0.226 4.566 4.340 0.000 0.000 0.230 281 Q C 1.561 177.573 176.000 0.020 0.000 0.871 281 Q CA 0.085 55.898 55.803 0.018 0.000 0.934 281 Q CB -0.329 28.428 28.738 0.031 0.000 1.183 281 Q HN 0.255 nan 8.270 nan 0.000 0.631 282 L N 0.397 121.643 121.223 0.038 0.000 2.042 282 L HA -0.073 4.267 4.340 0.000 0.000 0.210 282 L C 1.731 178.618 176.870 0.029 0.000 1.076 282 L CA 1.604 56.501 54.840 0.095 0.000 0.749 282 L CB -0.613 41.514 42.059 0.114 0.000 0.893 282 L HN 0.359 nan 8.230 nan 0.000 0.432 283 L N -1.143 120.099 121.223 0.031 0.000 2.191 283 L HA -0.144 4.196 4.340 0.000 0.000 0.212 283 L C 2.136 178.994 176.870 -0.021 0.000 1.103 283 L CA 1.419 56.276 54.840 0.028 0.000 0.769 283 L CB -0.349 41.739 42.059 0.048 0.000 0.908 283 L HN 0.220 nan 8.230 nan 0.000 0.438 284 V N -2.162 117.721 119.914 -0.051 0.000 2.795 284 V HA -0.011 4.109 4.120 0.000 0.000 0.243 284 V C 2.251 178.221 176.094 -0.206 0.000 1.069 284 V CA 0.555 62.800 62.300 -0.091 0.000 1.089 284 V CB -0.310 31.480 31.823 -0.055 0.000 0.756 284 V HN 0.280 nan 8.190 nan 0.000 0.471 285 E N 0.099 120.149 120.200 -0.249 0.000 2.150 285 E HA -0.116 4.234 4.350 0.000 0.000 0.193 285 E C 2.154 178.136 176.600 -1.030 0.000 0.985 285 E CA 1.150 57.260 56.400 -0.483 0.000 0.814 285 E CB -0.166 29.354 29.700 -0.300 0.000 0.752 285 E HN 0.487 nan 8.360 nan 0.000 0.466 286 M N 0.527 119.657 119.600 -0.782 0.000 2.175 286 M HA -0.124 4.356 4.480 0.000 0.000 0.264 286 M C 1.125 177.090 176.300 -0.557 0.000 1.063 286 M CA 1.040 55.870 55.300 -0.783 0.000 1.119 286 M CB -0.082 32.369 32.600 -0.249 0.000 1.377 286 M HN -0.137 nan 8.290 nan 0.000 0.415 287 D N -0.168 120.029 120.400 -0.340 0.000 2.363 287 D HA 0.011 4.651 4.640 0.000 0.000 0.226 287 D C 1.667 177.819 176.300 -0.247 0.000 1.020 287 D CA 0.463 54.348 54.000 -0.192 0.000 0.892 287 D CB -0.093 40.662 40.800 -0.075 0.000 0.900 287 D HN 0.407 nan 8.370 nan 0.000 0.531 288 G N -0.470 108.054 108.800 -0.460 0.000 2.603 288 G HA2 -0.072 3.888 3.960 0.000 0.000 0.214 288 G HA3 -0.072 3.888 3.960 0.000 0.000 0.214 288 G C 0.523 175.253 174.900 -0.284 0.000 1.140 288 G CA -0.381 44.486 45.100 -0.388 0.000 0.800 288 G HN 0.194 nan 8.290 nan 0.000 0.533 289 F N 2.320 122.190 119.950 -0.133 0.000 2.556 289 F HA 0.220 4.747 4.527 0.000 0.000 0.344 289 F C 1.199 176.953 175.800 -0.077 0.000 1.255 289 F CA -0.786 57.148 58.000 -0.110 0.000 1.091 289 F CB 0.469 39.385 39.000 -0.140 0.000 1.325 289 F HN 0.072 nan 8.300 nan 0.000 0.627 290 E N 3.067 123.324 120.200 0.095 0.000 3.523 290 E HA 0.143 4.493 4.350 0.000 0.000 0.526 290 E C 1.257 177.869 176.600 0.020 0.000 0.298 290 E CA -0.325 56.097 56.400 0.036 0.000 3.069 290 E CB 0.263 29.967 29.700 0.006 0.000 2.322 290 E HN 0.449 nan 8.360 nan 0.000 0.415 291 K N 0.629 121.012 120.400 -0.029 0.000 2.017 291 K HA -0.007 4.313 4.320 0.000 0.000 0.207 291 K C 1.208 177.582 176.600 -0.376 0.000 1.035 291 K CA 0.527 56.749 56.287 -0.107 0.000 0.947 291 K CB -0.108 32.362 32.500 -0.049 0.000 0.749 291 K HN 0.225 nan 8.250 nan 0.000 0.443 292 D N 2.012 122.250 120.400 -0.270 0.000 2.856 292 D HA 0.026 4.666 4.640 0.000 0.000 0.242 292 D C -0.858 175.354 176.300 -0.147 0.000 1.226 292 D CA 0.501 54.323 54.000 -0.297 0.000 0.855 292 D CB 0.015 40.753 40.800 -0.103 0.000 1.065 292 D HN 0.103 nan 8.370 nan 0.000 0.462 293 T N 0.241 114.722 114.554 -0.120 0.000 3.038 293 T HA 0.420 4.770 4.350 0.000 0.000 0.344 293 T C -0.103 174.629 174.700 0.053 0.000 1.054 293 T CA -0.664 61.443 62.100 0.013 0.000 1.092 293 T CB 1.425 70.353 68.868 0.101 0.000 1.031 293 T HN 0.068 nan 8.240 nan 0.000 0.482 294 A N 3.827 126.705 122.820 0.098 0.000 2.354 294 A HA 0.805 5.125 4.320 0.000 0.000 0.281 294 A C -0.203 177.440 177.584 0.099 0.000 1.174 294 A CA -0.198 51.965 52.037 0.211 0.000 0.828 294 A CB -0.157 18.797 19.000 -0.077 0.000 1.099 294 A HN 0.854 nan 8.150 nan 0.000 0.516 295 I N 1.863 122.493 120.570 0.101 0.000 2.908 295 I HA 0.463 4.633 4.170 0.000 0.000 0.300 295 I C -1.413 174.627 176.117 -0.128 0.000 1.385 295 I CA -0.367 60.843 61.300 -0.149 0.000 1.004 295 I CB 2.586 40.191 38.000 -0.657 0.000 1.309 295 I HN 0.321 nan 8.210 nan 0.000 0.449 296 V N 6.336 126.210 119.914 -0.067 0.000 2.498 296 V HA 0.291 4.411 4.120 0.000 0.000 0.283 296 V C -0.782 175.327 176.094 0.026 0.000 1.015 296 V CA -0.689 61.583 62.300 -0.046 0.000 0.867 296 V CB 1.573 33.422 31.823 0.043 0.000 1.025 296 V HN 0.389 nan 8.190 nan 0.000 0.441 297 V N 5.404 125.288 119.914 -0.050 0.000 2.338 297 V HA 0.337 4.457 4.120 0.000 0.000 0.255 297 V C 0.410 176.623 176.094 0.198 0.000 1.082 297 V CA 0.013 62.370 62.300 0.094 0.000 0.951 297 V CB 0.370 32.254 31.823 0.102 0.000 1.102 297 V HN 0.807 nan 8.190 nan 0.000 0.489 298 M N 4.149 123.975 119.600 0.377 0.000 2.180 298 M HA 0.607 5.087 4.480 0.000 0.000 0.358 298 M C 0.239 176.818 176.300 0.466 0.000 1.233 298 M CA 0.154 55.754 55.300 0.500 0.000 1.114 298 M CB 1.354 34.300 32.600 0.577 0.000 1.594 298 M HN 0.705 nan 8.290 nan 0.000 0.467 299 A N 2.837 125.891 122.820 0.390 0.000 2.342 299 A HA 0.901 5.221 4.320 0.000 0.000 0.323 299 A C -0.890 176.695 177.584 0.002 0.000 1.125 299 A CA -0.674 51.376 52.037 0.022 0.000 0.785 299 A CB 1.151 19.978 19.000 -0.287 0.000 1.221 299 A HN 0.855 nan 8.150 nan 0.000 0.463 300 A N 1.319 124.054 122.820 -0.141 0.000 2.337 300 A HA 0.953 5.273 4.320 0.000 0.000 0.331 300 A C -0.129 177.407 177.584 -0.079 0.000 1.137 300 A CA -0.507 51.513 52.037 -0.028 0.000 0.807 300 A CB 1.306 20.336 19.000 0.049 0.000 1.250 300 A HN 1.147 nan 8.150 nan 0.000 0.468 301 T N 0.806 115.340 114.554 -0.033 0.000 3.343 301 T HA 0.197 4.547 4.350 0.000 0.000 0.383 301 T C 0.117 174.802 174.700 -0.026 0.000 1.615 301 T CA -0.258 61.812 62.100 -0.050 0.000 1.153 301 T CB 0.889 69.708 68.868 -0.082 0.000 1.434 301 T HN 0.864 nan 8.240 nan 0.000 0.476 302 N N 1.760 120.444 118.700 -0.027 0.000 2.356 302 N HA 0.066 4.806 4.740 0.000 0.000 0.178 302 N C 0.445 175.938 175.510 -0.027 0.000 1.075 302 N CA -0.027 53.011 53.050 -0.021 0.000 0.889 302 N CB 0.505 38.981 38.487 -0.018 0.000 0.999 302 N HN 0.441 nan 8.380 nan 0.000 0.464 303 R N 1.227 121.706 120.500 -0.035 0.000 2.407 303 R HA 0.325 4.665 4.340 0.000 0.000 0.298 303 R C -1.956 174.319 176.300 -0.043 0.000 1.166 303 R CA -1.585 54.493 56.100 -0.036 0.000 1.006 303 R CB 1.652 31.931 30.300 -0.035 0.000 1.145 303 R HN -0.037 nan 8.270 nan 0.000 0.538 304 P HA -0.087 nan 4.420 nan 0.000 0.219 304 P C 0.056 177.332 177.300 -0.040 0.000 1.150 304 P CA 1.052 64.126 63.100 -0.043 0.000 0.814 304 P CB 0.441 32.122 31.700 -0.032 0.000 0.787 305 D N 0.310 120.689 120.400 -0.035 0.000 2.310 305 D HA -0.071 4.569 4.640 0.000 0.000 0.212 305 D C 1.613 177.898 176.300 -0.026 0.000 0.965 305 D CA 0.600 54.584 54.000 -0.027 0.000 0.879 305 D CB -0.621 40.161 40.800 -0.030 0.000 0.921 305 D HN 0.347 nan 8.370 nan 0.000 0.510 306 I N -2.138 118.410 120.570 -0.036 0.000 3.749 306 I HA 0.115 4.285 4.170 0.000 0.000 0.314 306 I C -0.377 175.711 176.117 -0.048 0.000 1.278 306 I CA -0.112 61.163 61.300 -0.041 0.000 1.158 306 I CB 0.044 38.017 38.000 -0.045 0.000 1.018 306 I HN -0.197 nan 8.210 nan 0.000 0.435 307 L N 1.803 123.001 121.223 -0.042 0.000 2.325 307 L HA 0.396 4.736 4.340 0.000 0.000 0.278 307 L C 0.071 176.939 176.870 -0.003 0.000 1.023 307 L CA 0.034 54.847 54.840 -0.045 0.000 0.811 307 L CB 1.342 43.357 42.059 -0.072 0.000 1.249 307 L HN 0.190 nan 8.230 nan 0.000 0.431 308 D N 5.257 125.666 120.400 0.015 0.000 2.520 308 D HA -0.035 4.605 4.640 0.000 0.000 0.243 308 D C -1.598 174.774 176.300 0.120 0.000 1.160 308 D CA -0.746 53.329 54.000 0.125 0.000 0.877 308 D CB 1.403 42.285 40.800 0.136 0.000 1.150 308 D HN 0.263 nan 8.370 nan 0.000 0.494 309 P HA -0.092 nan 4.420 nan 0.000 0.231 309 P C 0.463 177.753 177.300 -0.016 0.000 1.154 309 P CA 0.654 63.783 63.100 0.048 0.000 0.762 309 P CB 0.221 31.939 31.700 0.029 0.000 0.790 310 A N -1.454 121.365 122.820 -0.002 0.000 2.081 310 A HA 0.047 4.367 4.320 0.000 0.000 0.214 310 A C 1.950 179.529 177.584 -0.008 0.000 1.158 310 A CA 0.529 52.536 52.037 -0.050 0.000 0.724 310 A CB -1.054 17.924 19.000 -0.038 0.000 0.826 310 A HN 0.138 nan 8.150 nan 0.000 0.463 311 L N -0.624 120.617 121.223 0.029 0.000 2.109 311 L HA -0.046 4.294 4.340 0.000 0.000 0.207 311 L C 1.870 178.814 176.870 0.123 0.000 1.086 311 L CA 0.898 55.787 54.840 0.082 0.000 0.760 311 L CB -0.236 41.809 42.059 -0.023 0.000 0.910 311 L HN 0.358 nan 8.230 nan 0.000 0.437 312 L N -1.418 119.837 121.223 0.054 0.000 2.599 312 L HA 0.042 4.382 4.340 0.000 0.000 0.230 312 L C 1.306 178.190 176.870 0.023 0.000 1.141 312 L CA 0.206 55.081 54.840 0.058 0.000 0.877 312 L CB -0.555 41.521 42.059 0.028 0.000 1.009 312 L HN 0.055 nan 8.230 nan 0.000 0.447 313 R N 1.050 121.541 120.500 -0.015 0.000 2.649 313 R HA 0.237 4.577 4.340 0.000 0.000 0.270 313 R C -2.035 174.223 176.300 -0.070 0.000 1.105 313 R CA -1.748 54.305 56.100 -0.077 0.000 1.193 313 R CB 0.126 30.327 30.300 -0.165 0.000 1.120 313 R HN -0.148 nan 8.270 nan 0.000 0.561 314 P HA -0.145 nan 4.420 nan 0.000 0.264 314 P C 0.458 177.740 177.300 -0.030 0.000 1.179 314 P CA 1.066 64.133 63.100 -0.055 0.000 0.763 314 P CB 0.475 32.142 31.700 -0.055 0.000 0.806 315 G N 2.873 111.668 108.800 -0.007 0.000 2.550 315 G HA2 -0.310 3.650 3.960 0.000 0.000 0.233 315 G HA3 -0.310 3.650 3.960 0.000 0.000 0.233 315 G C 0.758 175.647 174.900 -0.018 0.000 1.170 315 G CA 0.494 45.595 45.100 0.002 0.000 0.693 315 G HN 0.596 nan 8.290 nan 0.000 0.512 316 R N -0.579 119.917 120.500 -0.006 0.000 2.615 316 R HA 0.570 4.910 4.340 0.000 0.000 0.178 316 R C 0.235 176.529 176.300 -0.010 0.000 0.958 316 R CA -0.428 55.674 56.100 0.003 0.000 1.275 316 R CB -0.352 30.006 30.300 0.097 0.000 1.207 316 R HN 0.090 nan 8.270 nan 0.000 0.535 317 F N 2.472 122.428 119.950 0.011 0.000 2.616 317 F HA -0.001 4.526 4.527 0.000 0.000 0.331 317 F C 0.130 175.931 175.800 0.002 0.000 1.309 317 F CA 0.210 58.219 58.000 0.016 0.000 1.068 317 F CB -0.608 38.404 39.000 0.020 0.000 1.464 317 F HN 0.367 nan 8.300 nan 0.000 0.667 318 D N 0.895 121.352 120.400 0.094 0.000 3.179 318 D HA 0.292 4.932 4.640 0.000 0.000 0.267 318 D C 0.106 176.438 176.300 0.053 0.000 1.348 318 D CA -0.518 53.518 54.000 0.059 0.000 0.897 318 D CB 0.279 41.087 40.800 0.015 0.000 1.062 318 D HN 0.272 nan 8.370 nan 0.000 0.494 319 R N 0.687 121.241 120.500 0.091 0.000 2.604 319 R HA 0.310 4.650 4.340 0.000 0.000 0.281 319 R C -1.290 175.061 176.300 0.084 0.000 1.020 319 R CA -0.618 55.527 56.100 0.075 0.000 0.899 319 R CB 1.456 31.797 30.300 0.068 0.000 1.205 319 R HN 0.064 nan 8.270 nan 0.000 0.450 320 Q N 5.256 125.092 119.800 0.060 0.000 2.523 320 Q HA 0.378 4.719 4.340 0.000 0.000 0.251 320 Q C -0.810 175.218 176.000 0.047 0.000 1.033 320 Q CA -0.313 55.520 55.803 0.051 0.000 0.746 320 Q CB 1.456 30.217 28.738 0.037 0.000 1.189 320 Q HN 0.488 nan 8.270 nan 0.000 0.508 321 I N 1.355 121.957 120.570 0.054 0.000 2.468 321 I HA 0.614 4.784 4.170 0.000 0.000 0.285 321 I C -0.394 175.748 176.117 0.042 0.000 1.039 321 I CA -0.783 60.545 61.300 0.046 0.000 1.074 321 I CB 1.971 40.003 38.000 0.053 0.000 1.228 321 I HN 0.558 nan 8.210 nan 0.000 0.436 322 A N 6.723 129.560 122.820 0.029 0.000 2.269 322 A HA 0.963 5.283 4.320 0.000 0.000 0.327 322 A C -0.620 176.975 177.584 0.019 0.000 1.112 322 A CA -0.472 51.579 52.037 0.022 0.000 0.865 322 A CB 0.823 19.830 19.000 0.011 0.000 1.227 322 A HN 0.616 nan 8.150 nan 0.000 0.498 323 I N 0.155 120.735 120.570 0.016 0.000 2.476 323 I HA 0.278 4.448 4.170 0.000 0.000 0.281 323 I C -1.368 174.754 176.117 0.007 0.000 1.040 323 I CA -0.151 61.156 61.300 0.012 0.000 1.094 323 I CB 1.793 39.801 38.000 0.013 0.000 1.219 323 I HN 0.342 nan 8.210 nan 0.000 0.450 324 D N 4.936 125.339 120.400 0.005 0.000 2.845 324 D HA 0.328 4.968 4.640 0.000 0.000 0.235 324 D C 1.432 177.736 176.300 0.006 0.000 1.158 324 D CA 0.164 54.167 54.000 0.004 0.000 0.990 324 D CB 0.918 41.720 40.800 0.003 0.000 1.094 324 D HN 0.674 nan 8.370 nan 0.000 0.486 325 A N 1.389 124.213 122.820 0.006 0.000 2.014 325 A HA -0.006 4.314 4.320 0.000 0.000 0.218 325 A C -0.519 177.072 177.584 0.013 0.000 1.163 325 A CA 0.378 52.419 52.037 0.007 0.000 0.652 325 A CB -0.744 18.259 19.000 0.005 0.000 0.808 325 A HN 0.237 nan 8.150 nan 0.000 0.449 326 P HA -0.013 nan 4.420 nan 0.000 0.274 326 P C -0.086 177.236 177.300 0.037 0.000 1.370 326 P CA 0.274 63.397 63.100 0.037 0.000 0.760 326 P CB -0.629 31.098 31.700 0.045 0.000 1.308 327 D N -0.945 119.469 120.400 0.023 0.000 2.383 327 D HA -0.106 4.534 4.640 0.000 0.000 0.233 327 D C 1.453 177.764 176.300 0.018 0.000 1.233 327 D CA 0.108 54.119 54.000 0.018 0.000 0.881 327 D CB 0.869 41.676 40.800 0.011 0.000 1.212 327 D HN -0.223 nan 8.370 nan 0.000 0.467 328 V N 2.338 122.260 119.914 0.014 0.000 2.223 328 V HA -0.214 3.906 4.120 0.000 0.000 0.244 328 V C 2.399 178.496 176.094 0.006 0.000 1.045 328 V CA 1.822 64.128 62.300 0.010 0.000 1.000 328 V CB -0.645 31.183 31.823 0.008 0.000 0.635 328 V HN 0.601 nan 8.190 nan 0.000 0.445 329 K N 0.196 120.598 120.400 0.004 0.000 2.097 329 K HA -0.112 4.208 4.320 0.000 0.000 0.206 329 K C 2.256 178.855 176.600 -0.002 0.000 1.049 329 K CA 1.394 57.681 56.287 0.001 0.000 0.933 329 K CB -0.730 31.771 32.500 0.002 0.000 0.717 329 K HN 0.570 nan 8.250 nan 0.000 0.442 330 G N 1.416 110.216 108.800 -0.000 0.000 2.459 330 G HA2 -0.303 3.657 3.960 0.000 0.000 0.217 330 G HA3 -0.303 3.657 3.960 0.000 0.000 0.217 330 G C 1.508 176.404 174.900 -0.006 0.000 1.183 330 G CA 0.793 45.891 45.100 -0.005 0.000 0.776 330 G HN 0.244 nan 8.290 nan 0.000 0.552 331 R N 0.222 120.726 120.500 0.007 0.000 2.113 331 R HA -0.159 4.181 4.340 0.000 0.000 0.244 331 R C 2.485 178.784 176.300 -0.001 0.000 1.142 331 R CA 1.990 58.099 56.100 0.015 0.000 0.953 331 R CB -0.305 30.008 30.300 0.022 0.000 0.860 331 R HN 0.594 nan 8.270 nan 0.000 0.438 332 E N 0.243 120.439 120.200 -0.007 0.000 2.005 332 E HA -0.289 4.061 4.350 0.000 0.000 0.198 332 E C 2.031 178.618 176.600 -0.021 0.000 1.010 332 E CA 1.857 58.250 56.400 -0.012 0.000 0.825 332 E CB -0.091 29.604 29.700 -0.009 0.000 0.769 332 E HN 0.283 nan 8.360 nan 0.000 0.456 333 Q N -0.305 119.481 119.800 -0.025 0.000 2.096 333 Q HA -0.227 4.113 4.340 0.000 0.000 0.208 333 Q C 2.225 178.179 176.000 -0.076 0.000 0.993 333 Q CA 2.207 57.986 55.803 -0.038 0.000 0.862 333 Q CB -0.188 28.531 28.738 -0.032 0.000 0.915 333 Q HN 0.462 nan 8.270 nan 0.000 0.416 334 I N 0.228 120.744 120.570 -0.091 0.000 2.179 334 I HA -0.279 3.891 4.170 0.000 0.000 0.242 334 I C 2.331 178.367 176.117 -0.135 0.000 1.088 334 I CA 1.249 62.444 61.300 -0.175 0.000 1.357 334 I CB -1.133 36.796 38.000 -0.119 0.000 1.051 334 I HN 0.315 nan 8.210 nan 0.000 0.409 335 L N 0.167 121.366 121.223 -0.041 0.000 2.131 335 L HA -0.194 4.146 4.340 0.000 0.000 0.210 335 L C 2.881 179.754 176.870 0.004 0.000 1.092 335 L CA 1.209 56.050 54.840 0.003 0.000 0.759 335 L CB -0.338 41.721 42.059 0.001 0.000 0.903 335 L HN 0.195 nan 8.230 nan 0.000 0.435 336 R N -0.156 120.333 120.500 -0.018 0.000 2.055 336 R HA -0.086 4.254 4.340 0.000 0.000 0.228 336 R C 2.208 178.506 176.300 -0.003 0.000 1.143 336 R CA 1.291 57.386 56.100 -0.008 0.000 0.945 336 R CB -0.277 30.015 30.300 -0.014 0.000 0.841 336 R HN 0.119 nan 8.270 nan 0.000 0.429 337 I N -0.089 120.452 120.570 -0.048 0.000 2.315 337 I HA -0.299 3.871 4.170 0.000 0.000 0.251 337 I C 1.065 177.219 176.117 0.062 0.000 1.125 337 I CA 1.552 62.824 61.300 -0.046 0.000 1.392 337 I CB -0.103 37.812 38.000 -0.141 0.000 1.065 337 I HN 0.305 nan 8.210 nan 0.000 0.424 338 H N -1.091 117.979 119.070 0.001 0.000 2.507 338 H HA 0.421 4.977 4.556 0.000 0.000 0.294 338 H C 0.966 176.295 175.328 0.002 0.000 1.064 338 H CA 0.098 56.145 56.048 -0.002 0.000 1.138 338 H CB 0.393 30.150 29.762 -0.007 0.000 1.515 338 H HN 0.265 nan 8.280 nan 0.000 0.547 339 A N 0.391 123.278 122.820 0.111 0.000 2.606 339 A HA 0.172 4.492 4.320 0.000 0.000 0.290 339 A C 1.691 179.303 177.584 0.046 0.000 1.174 339 A CA -0.419 51.655 52.037 0.062 0.000 0.958 339 A CB 0.105 19.130 19.000 0.042 0.000 1.194 339 A HN 0.245 nan 8.150 nan 0.000 0.526 340 R N 0.464 120.998 120.500 0.056 0.000 2.062 340 R HA -0.029 4.311 4.340 0.000 0.000 0.231 340 R C 1.416 177.734 176.300 0.030 0.000 1.136 340 R CA 1.034 57.159 56.100 0.041 0.000 0.948 340 R CB -0.264 30.066 30.300 0.050 0.000 0.845 340 R HN 0.478 nan 8.270 nan 0.000 0.430 341 G N 1.540 110.357 108.800 0.029 0.000 2.527 341 G HA2 0.120 4.080 3.960 0.000 0.000 0.248 341 G HA3 0.120 4.080 3.960 0.000 0.000 0.248 341 G C -0.552 174.357 174.900 0.016 0.000 1.231 341 G CA -0.369 44.742 45.100 0.017 0.000 0.838 341 G HN 0.067 nan 8.290 nan 0.000 0.570 342 K N -0.140 120.266 120.400 0.011 0.000 7.415 342 K HA -0.127 4.193 4.320 0.000 0.000 0.652 342 K C -2.598 174.008 176.600 0.011 0.000 2.588 342 K CA 0.291 56.583 56.287 0.009 0.000 1.948 342 K CB -0.424 32.081 32.500 0.008 0.000 2.086 342 K HN 0.494 nan 8.250 nan 0.000 0.274 343 P HA 0.622 nan 4.420 nan 0.000 0.285 343 P C -1.034 176.269 177.300 0.006 0.000 1.285 343 P CA -0.825 62.280 63.100 0.008 0.000 0.854 343 P CB 0.657 32.361 31.700 0.006 0.000 1.180 344 L N -1.374 119.852 121.223 0.005 0.000 2.505 344 L HA 0.694 5.034 4.340 0.000 0.000 0.266 344 L C 0.065 176.936 176.870 0.002 0.000 0.954 344 L CA -0.941 53.901 54.840 0.003 0.000 0.852 344 L CB 1.214 43.275 42.059 0.003 0.000 1.282 344 L HN 0.334 nan 8.230 nan 0.000 0.403 345 A N 1.593 124.413 122.820 0.001 0.000 3.197 345 A HA 0.390 4.710 4.320 0.000 0.000 0.263 345 A C 0.696 178.279 177.584 -0.001 0.000 1.524 345 A CA -0.400 51.638 52.037 0.000 0.000 1.176 345 A CB -0.810 18.190 19.000 0.000 0.000 1.096 345 A HN 0.816 nan 8.150 nan 0.000 0.655 346 E N -0.669 119.530 120.200 -0.002 0.000 2.605 346 E HA 0.304 4.654 4.350 0.000 0.000 0.255 346 E C -0.317 176.281 176.600 -0.004 0.000 1.369 346 E CA 0.002 56.400 56.400 -0.003 0.000 1.017 346 E CB 0.478 30.176 29.700 -0.004 0.000 1.086 346 E HN 0.154 nan 8.360 nan 0.000 0.605 347 D N -1.463 118.934 120.400 -0.005 0.000 2.337 347 D HA 0.080 4.721 4.640 0.000 0.000 0.349 347 D C 0.716 177.012 176.300 -0.007 0.000 1.123 347 D CA -0.076 53.920 54.000 -0.005 0.000 0.887 347 D CB 0.773 41.570 40.800 -0.005 0.000 1.396 347 D HN 0.224 nan 8.370 nan 0.000 0.510 348 V N 0.149 120.057 119.914 -0.009 0.000 3.125 348 V HA 0.067 4.187 4.120 0.000 0.000 0.249 348 V C 0.315 176.403 176.094 -0.011 0.000 1.113 348 V CA 1.096 63.389 62.300 -0.012 0.000 1.106 348 V CB 0.066 31.879 31.823 -0.016 0.000 0.768 348 V HN 0.268 nan 8.190 nan 0.000 0.468 349 D N -1.173 119.221 120.400 -0.009 0.000 3.017 349 D HA -0.222 4.418 4.640 0.000 0.000 0.220 349 D C 1.092 177.386 176.300 -0.009 0.000 1.141 349 D CA 0.980 54.976 54.000 -0.007 0.000 0.848 349 D CB -1.086 39.711 40.800 -0.006 0.000 1.102 349 D HN 0.434 nan 8.370 nan 0.000 0.427 350 L N -3.319 117.896 121.223 -0.013 0.000 5.394 350 L HA -0.411 3.929 4.340 0.000 0.000 0.428 350 L C 2.233 179.091 176.870 -0.020 0.000 0.929 350 L CA 2.028 56.858 54.840 -0.017 0.000 1.462 350 L CB -1.713 40.340 42.059 -0.011 0.000 1.520 350 L HN 0.346 nan 8.230 nan 0.000 0.636 351 A N -0.122 122.688 122.820 -0.016 0.000 1.851 351 A HA -0.137 4.183 4.320 0.000 0.000 0.216 351 A C 1.859 179.431 177.584 -0.020 0.000 1.195 351 A CA 2.153 54.181 52.037 -0.015 0.000 0.622 351 A CB -0.459 18.535 19.000 -0.011 0.000 0.831 351 A HN 0.361 nan 8.150 nan 0.000 0.444 352 L N -0.935 120.276 121.223 -0.020 0.000 2.633 352 L HA -0.021 4.319 4.340 0.000 0.000 0.235 352 L C 2.003 178.852 176.870 -0.035 0.000 1.163 352 L CA 0.363 55.189 54.840 -0.023 0.000 0.859 352 L CB -0.035 42.013 42.059 -0.019 0.000 0.973 352 L HN 0.472 nan 8.230 nan 0.000 0.451 353 L N -1.814 119.384 121.223 -0.041 0.000 2.316 353 L HA 0.162 4.502 4.340 0.000 0.000 0.207 353 L C 2.475 179.298 176.870 -0.077 0.000 1.070 353 L CA 1.372 56.173 54.840 -0.065 0.000 0.820 353 L CB -0.329 41.692 42.059 -0.064 0.000 0.992 353 L HN 0.131 nan 8.230 nan 0.000 0.466 354 A N -0.409 122.380 122.820 -0.052 0.000 1.873 354 A HA -0.254 4.066 4.320 0.000 0.000 0.218 354 A C 2.345 179.906 177.584 -0.039 0.000 1.193 354 A CA 1.943 53.955 52.037 -0.041 0.000 0.629 354 A CB -0.571 18.418 19.000 -0.020 0.000 0.826 354 A HN 0.326 nan 8.150 nan 0.000 0.447 355 K N -0.987 119.394 120.400 -0.031 0.000 2.283 355 K HA -0.023 4.297 4.320 0.000 0.000 0.202 355 K C 1.935 178.515 176.600 -0.034 0.000 1.048 355 K CA 0.972 57.245 56.287 -0.023 0.000 0.948 355 K CB -0.084 32.406 32.500 -0.016 0.000 0.742 355 K HN 0.372 nan 8.250 nan 0.000 0.458 356 R N -0.728 119.739 120.500 -0.055 0.000 2.317 356 R HA 0.012 4.352 4.340 0.000 0.000 0.208 356 R C 0.512 176.741 176.300 -0.117 0.000 0.914 356 R CA 0.490 56.549 56.100 -0.069 0.000 1.060 356 R CB 0.522 30.781 30.300 -0.070 0.000 1.015 356 R HN -0.149 nan 8.270 nan 0.000 0.498 357 T N 0.930 115.401 114.554 -0.139 0.000 3.630 357 T HA 0.219 4.569 4.350 0.000 0.000 0.238 357 T C -2.215 172.454 174.700 -0.053 0.000 1.195 357 T CA -1.824 60.144 62.100 -0.221 0.000 1.433 357 T CB 0.594 69.137 68.868 -0.541 0.000 0.940 357 T HN -0.013 nan 8.240 nan 0.000 0.641 358 P HA 0.059 nan 4.420 nan 0.000 0.210 358 P C 1.032 178.388 177.300 0.093 0.000 1.191 358 P CA 0.686 63.809 63.100 0.039 0.000 0.917 358 P CB -0.388 31.331 31.700 0.031 0.000 0.778 359 G N -0.121 108.748 108.800 0.115 0.000 2.334 359 G HA2 0.358 4.318 3.960 0.000 0.000 0.261 359 G HA3 0.358 4.318 3.960 0.000 0.000 0.261 359 G C -1.062 174.033 174.900 0.326 0.000 1.257 359 G CA 0.252 45.444 45.100 0.152 0.000 0.935 359 G HN 0.133 nan 8.290 nan 0.000 0.480 360 F N 1.309 121.260 119.950 0.002 0.000 2.612 360 F HA 0.138 4.665 4.527 0.000 0.000 0.306 360 F C -0.098 175.702 175.800 0.001 0.000 0.981 360 F CA -0.880 57.121 58.000 0.003 0.000 1.037 360 F CB 0.592 39.595 39.000 0.004 0.000 1.301 360 F HN 0.549 nan 8.300 nan 0.000 0.554 361 V N 2.977 122.819 119.914 -0.121 0.000 3.295 361 V HA 0.565 4.685 4.120 0.000 0.000 0.308 361 V C 1.177 177.265 176.094 -0.010 0.000 1.068 361 V CA 0.250 62.515 62.300 -0.058 0.000 1.062 361 V CB 1.076 32.838 31.823 -0.102 0.000 1.162 361 V HN 0.932 nan 8.190 nan 0.000 0.456 362 G N 0.100 108.902 108.800 0.004 0.000 2.404 362 G HA2 -0.118 3.842 3.960 0.000 0.000 0.215 362 G HA3 -0.118 3.842 3.960 0.000 0.000 0.215 362 G C 1.519 176.449 174.900 0.049 0.000 1.174 362 G CA 1.035 46.153 45.100 0.029 0.000 0.780 362 G HN 1.008 nan 8.290 nan 0.000 0.537 363 A N 0.689 123.507 122.820 -0.004 0.000 1.972 363 A HA -0.028 4.292 4.320 0.000 0.000 0.219 363 A C 2.081 179.642 177.584 -0.039 0.000 1.169 363 A CA 2.079 54.107 52.037 -0.016 0.000 0.635 363 A CB -0.388 18.592 19.000 -0.033 0.000 0.810 363 A HN 0.279 nan 8.150 nan 0.000 0.446 364 D N 0.048 120.377 120.400 -0.118 0.000 2.084 364 D HA -0.124 4.516 4.640 0.000 0.000 0.194 364 D C 1.978 178.305 176.300 0.046 0.000 0.990 364 D CA 1.018 54.854 54.000 -0.274 0.000 0.826 364 D CB -0.321 39.993 40.800 -0.810 0.000 0.971 364 D HN 0.407 nan 8.370 nan 0.000 0.453 365 L N 0.776 122.131 121.223 0.221 0.000 1.990 365 L HA -0.206 4.135 4.340 0.000 0.000 0.213 365 L C 2.518 179.529 176.870 0.236 0.000 1.072 365 L CA 1.430 56.491 54.840 0.367 0.000 0.755 365 L CB -0.425 41.792 42.059 0.263 0.000 0.889 365 L HN 0.150 nan 8.230 nan 0.000 0.432 366 E N 0.279 120.591 120.200 0.187 0.000 2.033 366 E HA -0.264 4.086 4.350 0.000 0.000 0.199 366 E C 1.665 178.283 176.600 0.031 0.000 1.011 366 E CA 1.466 57.917 56.400 0.085 0.000 0.815 366 E CB -0.037 29.605 29.700 -0.096 0.000 0.755 366 E HN 0.431 nan 8.360 nan 0.000 0.451 367 N N 0.844 119.563 118.700 0.032 0.000 2.609 367 N HA -0.125 4.615 4.740 0.000 0.000 0.190 367 N C 1.632 177.189 175.510 0.079 0.000 1.157 367 N CA 0.331 53.400 53.050 0.030 0.000 0.918 367 N CB -0.057 38.437 38.487 0.011 0.000 0.978 367 N HN 0.274 nan 8.380 nan 0.000 0.448 368 L N -0.909 120.397 121.223 0.138 0.000 2.145 368 L HA 0.139 4.479 4.340 0.000 0.000 0.201 368 L C 1.830 178.743 176.870 0.072 0.000 1.075 368 L CA 1.065 55.994 54.840 0.148 0.000 0.773 368 L CB -0.360 41.833 42.059 0.224 0.000 0.936 368 L HN -0.026 nan 8.230 nan 0.000 0.451 369 L N 0.084 121.346 121.223 0.065 0.000 2.007 369 L HA -0.148 4.192 4.340 0.000 0.000 0.205 369 L C 2.391 179.273 176.870 0.019 0.000 1.073 369 L CA 1.731 56.593 54.840 0.038 0.000 0.744 369 L CB -0.627 41.462 42.059 0.051 0.000 0.898 369 L HN 0.417 nan 8.230 nan 0.000 0.435 370 N N -0.173 118.530 118.700 0.006 0.000 2.132 370 N HA -0.292 4.448 4.740 0.000 0.000 0.191 370 N C 1.698 177.209 175.510 0.002 0.000 1.015 370 N CA 1.537 54.581 53.050 -0.009 0.000 0.864 370 N CB 0.103 38.573 38.487 -0.029 0.000 1.006 370 N HN 0.192 nan 8.380 nan 0.000 0.430 371 E N -0.395 119.814 120.200 0.014 0.000 2.076 371 E HA 0.093 4.444 4.350 0.000 0.000 0.190 371 E C 1.828 178.436 176.600 0.013 0.000 0.979 371 E CA 0.980 57.390 56.400 0.016 0.000 0.807 371 E CB -0.340 29.377 29.700 0.028 0.000 0.761 371 E HN 0.419 nan 8.360 nan 0.000 0.454 372 A N 0.985 123.814 122.820 0.015 0.000 1.892 372 A HA -0.212 4.108 4.320 0.000 0.000 0.218 372 A C 2.427 180.015 177.584 0.006 0.000 1.188 372 A CA 2.323 54.365 52.037 0.009 0.000 0.631 372 A CB -1.147 17.857 19.000 0.007 0.000 0.822 372 A HN 0.376 nan 8.150 nan 0.000 0.447 373 A N -0.291 122.532 122.820 0.005 0.000 1.877 373 A HA -0.050 4.270 4.320 0.000 0.000 0.216 373 A C 2.041 179.626 177.584 0.002 0.000 1.186 373 A CA 1.534 53.573 52.037 0.003 0.000 0.620 373 A CB -0.706 18.295 19.000 0.002 0.000 0.822 373 A HN 0.504 nan 8.150 nan 0.000 0.443 374 L N -0.327 120.898 121.223 0.002 0.000 2.549 374 L HA -0.089 4.251 4.340 0.000 0.000 0.230 374 L C 2.289 179.161 176.870 0.003 0.000 1.162 374 L CA 0.167 55.008 54.840 0.002 0.000 0.834 374 L CB -0.462 41.598 42.059 0.002 0.000 0.947 374 L HN 0.397 nan 8.230 nan 0.000 0.452 375 L N -0.402 120.823 121.223 0.004 0.000 2.027 375 L HA -0.202 4.138 4.340 0.000 0.000 0.206 375 L C 2.812 179.683 176.870 0.002 0.000 1.074 375 L CA 1.334 56.176 54.840 0.003 0.000 0.745 375 L CB -0.330 41.731 42.059 0.003 0.000 0.898 375 L HN 0.330 nan 8.230 nan 0.000 0.433 376 A N -0.261 122.560 122.820 0.002 0.000 1.841 376 A HA -0.168 4.152 4.320 0.000 0.000 0.214 376 A C 2.356 179.941 177.584 0.002 0.000 1.195 376 A CA 1.583 53.621 52.037 0.002 0.000 0.611 376 A CB -0.922 18.079 19.000 0.002 0.000 0.835 376 A HN 0.441 nan 8.150 nan 0.000 0.443 377 A N -0.963 121.858 122.820 0.001 0.000 2.186 377 A HA -0.120 4.200 4.320 0.000 0.000 0.219 377 A C 2.142 179.726 177.584 0.001 0.000 1.159 377 A CA 1.334 53.372 52.037 0.001 0.000 0.680 377 A CB -0.491 18.509 19.000 0.001 0.000 0.787 377 A HN 0.521 nan 8.150 nan 0.000 0.467 378 R N -1.014 119.487 120.500 0.002 0.000 2.153 378 R HA -0.010 4.330 4.340 0.000 0.000 0.218 378 R C 1.321 177.622 176.300 0.002 0.000 1.072 378 R CA 1.391 57.492 56.100 0.002 0.000 0.990 378 R CB 0.020 30.322 30.300 0.002 0.000 0.889 378 R HN 0.657 nan 8.270 nan 0.000 0.452 379 E N -1.605 118.596 120.200 0.001 0.000 2.485 379 E HA 0.126 4.476 4.350 0.000 0.000 0.213 379 E C -0.100 176.501 176.600 0.001 0.000 0.923 379 E CA 0.277 56.678 56.400 0.001 0.000 1.054 379 E CB 1.376 31.077 29.700 0.001 0.000 1.077 379 E HN 0.356 nan 8.360 nan 0.000 0.509 380 G N 2.556 111.357 108.800 0.001 0.000 2.643 380 G HA2 -0.241 3.719 3.960 0.000 0.000 0.280 380 G HA3 -0.241 3.719 3.960 0.000 0.000 0.280 380 G C -0.616 174.285 174.900 0.001 0.000 1.120 380 G CA -0.194 44.907 45.100 0.001 0.000 1.165 380 G HN -0.010 nan 8.290 nan 0.000 0.540 381 R N 0.394 120.895 120.500 0.001 0.000 2.514 381 R HA 0.589 4.929 4.340 0.000 0.000 0.301 381 R C 0.574 176.875 176.300 0.001 0.000 0.962 381 R CA -0.874 55.227 56.100 0.001 0.000 0.882 381 R CB 1.269 31.570 30.300 0.001 0.000 1.143 381 R HN 0.330 nan 8.270 nan 0.000 0.452 382 R N 3.739 124.240 120.500 0.001 0.000 2.248 382 R HA 0.189 4.529 4.340 0.000 0.000 0.328 382 R C -0.410 175.891 176.300 0.002 0.000 1.067 382 R CA -0.240 55.861 56.100 0.002 0.000 0.924 382 R CB 0.412 30.713 30.300 0.002 0.000 1.013 382 R HN 0.658 nan 8.270 nan 0.000 0.454 383 K N 1.022 121.423 120.400 0.002 0.000 5.248 383 K HA -0.205 4.115 4.320 0.000 0.000 0.573 383 K C -0.679 175.922 176.600 0.001 0.000 2.577 383 K CA 0.581 56.869 56.287 0.002 0.000 2.028 383 K CB -0.546 31.955 32.500 0.002 0.000 2.551 383 K HN 0.577 nan 8.250 nan 0.000 0.155 384 I N -0.533 120.038 120.570 0.001 0.000 2.436 384 I HA 0.296 4.466 4.170 0.000 0.000 0.289 384 I C 0.617 176.733 176.117 -0.001 0.000 1.010 384 I CA -0.711 60.590 61.300 0.000 0.000 1.098 384 I CB 1.866 39.866 38.000 0.001 0.000 1.266 384 I HN 0.557 nan 8.210 nan 0.000 0.434 385 T N 2.614 117.166 114.554 -0.003 0.000 2.652 385 T HA 0.146 4.496 4.350 0.000 0.000 0.319 385 T C 0.859 175.554 174.700 -0.008 0.000 1.029 385 T CA -0.278 61.819 62.100 -0.005 0.000 0.990 385 T CB 0.443 69.308 68.868 -0.005 0.000 1.098 385 T HN 0.639 nan 8.240 nan 0.000 0.520 386 M N -0.160 119.434 119.600 -0.010 0.000 2.556 386 M HA 0.168 4.648 4.480 0.000 0.000 0.245 386 M C 1.947 178.237 176.300 -0.017 0.000 1.128 386 M CA 0.812 56.103 55.300 -0.015 0.000 1.069 386 M CB 0.000 32.590 32.600 -0.016 0.000 1.469 386 M HN 0.350 nan 8.290 nan 0.000 0.494 387 K N -0.151 120.241 120.400 -0.012 0.000 2.418 387 K HA -0.023 4.297 4.320 0.000 0.000 0.195 387 K C 0.247 176.840 176.600 -0.011 0.000 1.035 387 K CA 0.832 57.112 56.287 -0.012 0.000 1.003 387 K CB 0.173 32.667 32.500 -0.008 0.000 0.793 387 K HN 0.300 nan 8.250 nan 0.000 0.494 388 D N 0.278 120.672 120.400 -0.010 0.000 2.354 388 D HA 0.037 4.677 4.640 0.000 0.000 0.209 388 D C 1.536 177.830 176.300 -0.011 0.000 1.015 388 D CA 0.332 54.327 54.000 -0.007 0.000 0.867 388 D CB 0.376 41.173 40.800 -0.004 0.000 0.933 388 D HN 0.046 nan 8.370 nan 0.000 0.520 389 L N -0.022 121.190 121.223 -0.018 0.000 2.316 389 L HA 0.106 4.446 4.340 0.000 0.000 0.207 389 L C 2.042 178.886 176.870 -0.043 0.000 1.070 389 L CA 0.550 55.374 54.840 -0.027 0.000 0.820 389 L CB 0.007 42.048 42.059 -0.030 0.000 0.992 389 L HN -0.033 nan 8.230 nan 0.000 0.466 390 E N 0.641 120.817 120.200 -0.040 0.000 2.058 390 E HA -0.261 4.089 4.350 0.000 0.000 0.194 390 E C 1.897 178.476 176.600 -0.035 0.000 0.997 390 E CA 1.455 57.828 56.400 -0.046 0.000 0.801 390 E CB 0.092 29.772 29.700 -0.033 0.000 0.746 390 E HN 0.425 nan 8.360 nan 0.000 0.450 391 E N -0.071 120.117 120.200 -0.020 0.000 2.204 391 E HA -0.155 4.195 4.350 0.000 0.000 0.195 391 E C 1.829 178.427 176.600 -0.004 0.000 0.990 391 E CA 0.734 57.129 56.400 -0.009 0.000 0.821 391 E CB -0.015 29.683 29.700 -0.004 0.000 0.750 391 E HN 0.228 nan 8.360 nan 0.000 0.477 392 A N 0.740 123.554 122.820 -0.010 0.000 2.066 392 A HA 0.050 4.370 4.320 0.000 0.000 0.218 392 A C 2.162 179.749 177.584 0.005 0.000 1.157 392 A CA 1.314 53.352 52.037 0.002 0.000 0.670 392 A CB -0.125 18.874 19.000 -0.001 0.000 0.804 392 A HN 0.268 nan 8.150 nan 0.000 0.453 393 A N -1.052 121.746 122.820 -0.037 0.000 2.169 393 A HA 0.159 4.479 4.320 0.000 0.000 0.210 393 A C 1.350 178.933 177.584 -0.001 0.000 1.168 393 A CA 1.024 53.020 52.037 -0.069 0.000 0.813 393 A CB -0.121 18.748 19.000 -0.219 0.000 0.861 393 A HN 0.377 nan 8.150 nan 0.000 0.481 394 D N -1.257 119.144 120.400 0.002 0.000 2.340 394 D HA 0.118 4.758 4.640 0.000 0.000 0.220 394 D C 1.920 178.239 176.300 0.031 0.000 1.039 394 D CA 0.337 54.347 54.000 0.017 0.000 0.866 394 D CB 0.150 40.953 40.800 0.005 0.000 0.913 394 D HN 0.319 nan 8.370 nan 0.000 0.523 395 R N -0.696 119.829 120.500 0.041 0.000 2.167 395 R HA 0.101 4.441 4.340 0.000 0.000 0.201 395 R C 1.314 177.652 176.300 0.063 0.000 1.024 395 R CA 0.383 56.508 56.100 0.043 0.000 1.053 395 R CB 0.529 30.850 30.300 0.035 0.000 0.987 395 R HN 0.059 nan 8.270 nan 0.000 0.493 396 V N 0.838 120.814 119.914 0.104 0.000 3.406 396 V HA -0.030 4.090 4.120 0.000 0.000 0.263 396 V C 2.084 178.269 176.094 0.152 0.000 1.172 396 V CA 0.791 63.174 62.300 0.139 0.000 1.140 396 V CB -0.111 31.855 31.823 0.238 0.000 0.784 396 V HN 0.317 nan 8.190 nan 0.000 0.467 397 M N -0.527 119.163 119.600 0.150 0.000 2.374 397 M HA 0.038 4.518 4.480 0.000 0.000 0.264 397 M C 1.141 177.486 176.300 0.075 0.000 1.067 397 M CA 1.533 56.912 55.300 0.132 0.000 1.103 397 M CB 0.069 32.730 32.600 0.102 0.000 1.402 397 M HN 0.284 nan 8.290 nan 0.000 0.444 398 M N -0.581 119.053 119.600 0.056 0.000 3.004 398 M HA 0.201 4.681 4.480 0.000 0.000 0.365 398 M C 0.309 176.624 176.300 0.025 0.000 1.317 398 M CA 0.077 55.398 55.300 0.035 0.000 0.821 398 M CB 0.906 33.524 32.600 0.030 0.000 1.387 398 M HN 0.230 nan 8.290 nan 0.000 0.501 399 L N 0.421 121.657 121.223 0.022 0.000 2.854 399 L HA 0.223 4.563 4.340 0.000 0.000 0.249 399 L C -1.152 175.717 176.870 -0.002 0.000 1.091 399 L CA 0.051 54.897 54.840 0.011 0.000 0.935 399 L CB 0.331 42.398 42.059 0.014 0.000 1.367 399 L HN 0.141 nan 8.230 nan 0.000 0.524 400 P HA 0.167 nan 4.420 nan 0.000 0.252 400 P C -0.178 177.112 177.300 -0.017 0.000 1.635 400 P CA 0.868 63.953 63.100 -0.024 0.000 1.206 400 P CB 0.294 31.969 31.700 -0.042 0.000 1.911 401 A N 2.485 125.297 122.820 -0.013 0.000 3.880 401 A HA 0.139 4.459 4.320 0.000 0.000 0.109 401 A C 0.089 177.669 177.584 -0.007 0.000 1.279 401 A CA -0.118 51.913 52.037 -0.011 0.000 1.275 401 A CB -0.572 18.422 19.000 -0.010 0.000 1.210 401 A HN 0.194 nan 8.150 nan 0.000 0.569 402 K N -0.729 119.668 120.400 -0.005 0.000 2.556 402 K HA 0.276 4.596 4.320 0.000 0.000 0.201 402 K C -0.250 176.349 176.600 -0.001 0.000 1.423 402 K CA 0.317 56.602 56.287 -0.003 0.000 1.010 402 K CB 0.677 33.175 32.500 -0.004 0.000 1.409 402 K HN 0.349 nan 8.250 nan 0.000 0.538 403 K N 2.464 122.863 120.400 -0.001 0.000 2.281 403 K HA 0.191 4.511 4.320 0.000 0.000 0.272 403 K C -0.595 176.007 176.600 0.003 0.000 1.048 403 K CA -0.265 56.022 56.287 0.001 0.000 0.898 403 K CB 1.721 34.221 32.500 0.000 0.000 1.128 403 K HN 0.062 nan 8.250 nan 0.000 0.460 404 S N 4.527 120.231 115.700 0.006 0.000 2.516 404 S HA 0.244 4.714 4.470 0.000 0.000 0.282 404 S C 0.022 174.628 174.600 0.011 0.000 1.286 404 S CA -0.382 57.824 58.200 0.009 0.000 1.066 404 S CB 0.144 63.352 63.200 0.012 0.000 0.884 404 S HN 0.451 nan 8.310 nan 0.000 0.491 405 L N 3.003 124.233 121.223 0.011 0.000 2.303 405 L HA 0.821 5.161 4.340 0.000 0.000 0.256 405 L C -0.729 176.154 176.870 0.021 0.000 1.034 405 L CA -1.092 53.756 54.840 0.014 0.000 0.832 405 L CB 2.284 44.347 42.059 0.007 0.000 1.403 405 L HN 0.629 nan 8.230 nan 0.000 0.419 406 V N -0.396 119.533 119.914 0.025 0.000 3.165 406 V HA 0.418 4.538 4.120 0.000 0.000 0.309 406 V C -0.812 175.303 176.094 0.036 0.000 1.267 406 V CA -0.995 61.327 62.300 0.037 0.000 1.067 406 V CB 2.000 33.851 31.823 0.047 0.000 1.082 406 V HN 0.604 nan 8.190 nan 0.000 0.451 407 L N 0.246 121.499 121.223 0.051 0.000 2.494 407 L HA 0.753 5.093 4.340 0.000 0.000 0.251 407 L C 0.371 177.275 176.870 0.056 0.000 1.119 407 L CA -0.021 54.849 54.840 0.050 0.000 1.026 407 L CB 0.684 42.781 42.059 0.063 0.000 1.370 407 L HN 0.612 nan 8.230 nan 0.000 0.426 408 S N 2.074 117.805 115.700 0.051 0.000 2.603 408 S HA 0.445 4.915 4.470 0.000 0.000 0.268 408 S C -1.044 173.596 174.600 0.067 0.000 1.317 408 S CA -0.964 57.269 58.200 0.056 0.000 1.012 408 S CB 0.696 63.928 63.200 0.053 0.000 0.926 408 S HN 0.519 nan 8.310 nan 0.000 0.539 409 P HA -0.135 nan 4.420 nan 0.000 0.223 409 P C 0.827 178.192 177.300 0.110 0.000 1.140 409 P CA 1.132 64.277 63.100 0.075 0.000 0.783 409 P CB 0.034 31.771 31.700 0.061 0.000 0.759 410 R N -0.907 119.665 120.500 0.121 0.000 2.373 410 R HA 0.043 4.383 4.340 0.000 0.000 0.221 410 R C 1.163 177.562 176.300 0.165 0.000 0.893 410 R CA 0.079 56.292 56.100 0.188 0.000 1.049 410 R CB 0.342 30.757 30.300 0.191 0.000 1.119 410 R HN -0.018 nan 8.270 nan 0.000 0.535 411 D N 0.253 120.710 120.400 0.095 0.000 2.183 411 D HA -0.040 4.600 4.640 0.000 0.000 0.205 411 D C 1.718 178.050 176.300 0.054 0.000 0.962 411 D CA 0.694 54.723 54.000 0.047 0.000 0.849 411 D CB 0.149 40.968 40.800 0.031 0.000 0.978 411 D HN 0.091 nan 8.370 nan 0.000 0.488 412 R N 0.619 121.165 120.500 0.077 0.000 2.061 412 R HA -0.069 4.271 4.340 0.000 0.000 0.230 412 R C 2.316 178.689 176.300 0.123 0.000 1.140 412 R CA 1.130 57.276 56.100 0.077 0.000 0.940 412 R CB -0.154 30.188 30.300 0.069 0.000 0.839 412 R HN 0.014 nan 8.270 nan 0.000 0.429 413 R N 0.983 121.593 120.500 0.182 0.000 2.154 413 R HA -0.185 4.155 4.340 0.000 0.000 0.248 413 R C 2.006 178.627 176.300 0.534 0.000 1.155 413 R CA 1.648 57.941 56.100 0.322 0.000 0.979 413 R CB -0.592 29.910 30.300 0.337 0.000 0.869 413 R HN 0.301 nan 8.270 nan 0.000 0.452 414 I N 0.337 121.089 120.570 0.302 0.000 2.094 414 I HA -0.253 3.917 4.170 0.000 0.000 0.234 414 I C 1.915 178.094 176.117 0.103 0.000 1.063 414 I CA 2.227 63.488 61.300 -0.064 0.000 1.328 414 I CB -0.468 37.230 38.000 -0.503 0.000 1.058 414 I HN 0.490 nan 8.210 nan 0.000 0.400 415 T N -0.124 114.454 114.554 0.040 0.000 2.848 415 T HA -0.204 4.146 4.350 0.000 0.000 0.269 415 T C 1.797 176.569 174.700 0.120 0.000 1.081 415 T CA 1.158 63.278 62.100 0.034 0.000 1.125 415 T CB -1.031 67.831 68.868 -0.010 0.000 0.848 415 T HN 0.464 nan 8.240 nan 0.000 0.503 416 A N 0.811 123.706 122.820 0.126 0.000 1.840 416 A HA 0.091 4.411 4.320 0.000 0.000 0.214 416 A C 2.111 179.737 177.584 0.070 0.000 1.198 416 A CA 1.072 53.147 52.037 0.063 0.000 0.608 416 A CB -1.241 17.750 19.000 -0.014 0.000 0.839 416 A HN 0.522 nan 8.150 nan 0.000 0.443 417 Y N -0.755 119.661 120.300 0.192 0.000 2.241 417 Y HA -0.296 4.254 4.550 0.000 0.000 0.286 417 Y C 2.476 178.435 175.900 0.099 0.000 1.166 417 Y CA 2.090 60.294 58.100 0.175 0.000 1.203 417 Y CB -0.461 38.175 38.460 0.293 0.000 0.977 417 Y HN 0.604 nan 8.280 nan 0.000 0.529 418 H N -0.523 118.634 119.070 0.145 0.000 2.357 418 H HA -0.127 4.429 4.556 0.000 0.000 0.301 418 H C 2.102 177.384 175.328 -0.077 0.000 1.082 418 H CA 1.657 57.701 56.048 -0.007 0.000 1.342 418 H CB 0.236 29.991 29.762 -0.011 0.000 1.389 418 H HN 0.101 nan 8.280 nan 0.000 0.511 419 E N -0.318 119.999 120.200 0.194 0.000 2.299 419 E HA 0.016 4.366 4.350 0.000 0.000 0.193 419 E C 2.070 178.749 176.600 0.132 0.000 0.998 419 E CA 0.655 57.164 56.400 0.183 0.000 0.851 419 E CB 0.106 29.899 29.700 0.154 0.000 0.795 419 E HN 0.550 nan 8.360 nan 0.000 0.492 420 A N 0.499 123.379 122.820 0.100 0.000 2.016 420 A HA 0.041 4.361 4.320 0.000 0.000 0.217 420 A C 2.293 179.945 177.584 0.113 0.000 1.162 420 A CA 1.363 53.475 52.037 0.125 0.000 0.662 420 A CB -0.630 18.410 19.000 0.068 0.000 0.812 420 A HN 0.294 nan 8.150 nan 0.000 0.450 421 G N -0.482 108.327 108.800 0.016 0.000 2.511 421 G HA2 -0.285 3.675 3.960 0.000 0.000 0.216 421 G HA3 -0.285 3.675 3.960 0.000 0.000 0.216 421 G C 1.459 176.331 174.900 -0.046 0.000 1.218 421 G CA 1.172 46.231 45.100 -0.069 0.000 0.788 421 G HN 0.587 nan 8.290 nan 0.000 0.560 422 H N 1.166 120.249 119.070 0.023 0.000 2.321 422 H HA -0.143 4.413 4.556 0.000 0.000 0.295 422 H C 2.959 178.299 175.328 0.019 0.000 1.102 422 H CA 1.559 57.612 56.048 0.009 0.000 1.266 422 H CB -0.970 28.826 29.762 0.057 0.000 1.363 422 H HN 0.375 nan 8.280 nan 0.000 0.492 423 A N 0.963 123.904 122.820 0.201 0.000 1.849 423 A HA -0.168 4.152 4.320 0.000 0.000 0.217 423 A C 2.687 180.352 177.584 0.135 0.000 1.202 423 A CA 1.736 53.894 52.037 0.201 0.000 0.629 423 A CB -1.151 17.964 19.000 0.192 0.000 0.834 423 A HN 0.321 nan 8.150 nan 0.000 0.447 424 L N -0.974 120.373 121.223 0.208 0.000 2.353 424 L HA -0.101 4.239 4.340 0.000 0.000 0.220 424 L C 2.601 179.428 176.870 -0.072 0.000 1.133 424 L CA 0.902 55.844 54.840 0.172 0.000 0.798 424 L CB -0.302 41.849 42.059 0.153 0.000 0.922 424 L HN 0.488 nan 8.230 nan 0.000 0.445 425 A N -0.679 122.061 122.820 -0.132 0.000 1.858 425 A HA 0.040 4.360 4.320 0.000 0.000 0.215 425 A C 2.354 179.548 177.584 -0.649 0.000 1.320 425 A CA 0.901 52.738 52.037 -0.335 0.000 0.601 425 A CB -1.278 17.639 19.000 -0.138 0.000 0.976 425 A HN 0.309 nan 8.150 nan 0.000 0.470 426 A N -0.753 121.878 122.820 -0.316 0.000 2.159 426 A HA -0.194 4.126 4.320 0.000 0.000 0.222 426 A C 1.195 178.589 177.584 -0.317 0.000 1.163 426 A CA 2.023 53.929 52.037 -0.217 0.000 0.664 426 A CB -1.039 17.947 19.000 -0.024 0.000 0.803 426 A HN 0.754 nan 8.150 nan 0.000 0.470 427 H N -0.478 118.241 119.070 -0.585 0.000 2.705 427 H HA 0.497 5.053 4.556 0.000 0.000 0.291 427 H C -0.223 174.849 175.328 -0.426 0.000 1.085 427 H CA -0.936 54.863 56.048 -0.414 0.000 1.357 427 H CB -0.110 29.405 29.762 -0.411 0.000 1.419 427 H HN 0.191 nan 8.280 nan 0.000 0.462 428 F N 3.130 122.825 119.950 -0.424 0.000 3.342 428 F HA 0.673 5.200 4.527 0.000 0.000 0.323 428 F C -1.539 174.039 175.800 -0.370 0.000 1.398 428 F CA -1.603 56.156 58.000 -0.402 0.000 1.025 428 F CB 0.068 38.964 39.000 -0.173 0.000 1.638 428 F HN 0.296 nan 8.300 nan 0.000 0.473 429 L N -0.279 120.958 121.223 0.022 0.000 2.612 429 L HA 0.477 4.817 4.340 0.000 0.000 0.256 429 L C -1.226 175.590 176.870 -0.089 0.000 0.949 429 L CA -0.696 54.118 54.840 -0.043 0.000 0.867 429 L CB 1.748 43.782 42.059 -0.042 0.000 1.417 429 L HN 0.688 nan 8.230 nan 0.000 0.414 430 E N 2.999 123.140 120.200 -0.099 0.000 3.179 430 E HA -0.241 4.109 4.350 0.000 0.000 0.148 430 E C 0.078 176.558 176.600 -0.200 0.000 1.916 430 E CA 1.724 58.002 56.400 -0.204 0.000 0.709 430 E CB -1.186 28.292 29.700 -0.369 0.000 1.081 430 E HN 0.824 nan 8.360 nan 0.000 0.351 431 H N -1.853 117.125 119.070 -0.153 0.000 3.829 431 H HA -0.200 4.356 4.556 0.000 0.000 0.153 431 H C 0.393 175.539 175.328 -0.303 0.000 0.816 431 H CA 0.139 56.075 56.048 -0.187 0.000 1.249 431 H CB -1.505 28.159 29.762 -0.163 0.000 0.854 431 H HN 0.647 nan 8.280 nan 0.000 0.467 432 A N 1.560 124.168 122.820 -0.353 0.000 2.304 432 A HA 0.491 4.811 4.320 0.000 0.000 0.271 432 A C -0.304 177.101 177.584 -0.298 0.000 1.091 432 A CA 0.206 51.759 52.037 -0.806 0.000 0.812 432 A CB 0.520 18.370 19.000 -1.918 0.000 1.056 432 A HN 0.332 nan 8.150 nan 0.000 0.489 433 D N -0.787 119.533 120.400 -0.133 0.000 2.970 433 D HA 0.629 5.269 4.640 0.000 0.000 0.230 433 D C -0.059 176.336 176.300 0.158 0.000 1.276 433 D CA 0.428 54.453 54.000 0.042 0.000 0.910 433 D CB 1.482 42.269 40.800 -0.023 0.000 1.590 433 D HN 0.994 nan 8.370 nan 0.000 0.551 434 G N -0.520 108.368 108.800 0.147 0.000 2.344 434 G HA2 0.515 4.475 3.960 0.000 0.000 0.282 434 G HA3 0.515 4.475 3.960 0.000 0.000 0.282 434 G C -1.237 173.739 174.900 0.126 0.000 1.281 434 G CA -0.054 45.126 45.100 0.133 0.000 0.877 434 G HN 1.071 nan 8.290 nan 0.000 0.494 435 V N -3.676 116.312 119.914 0.124 0.000 3.703 435 V HA 1.027 5.147 4.120 0.000 0.000 0.306 435 V C -0.962 175.247 176.094 0.191 0.000 1.407 435 V CA -0.470 61.910 62.300 0.133 0.000 0.974 435 V CB 1.556 33.453 31.823 0.123 0.000 1.188 435 V HN 1.605 nan 8.190 nan 0.000 0.477 436 H N 0.403 119.460 119.070 -0.022 0.000 3.151 436 H HA 0.711 5.267 4.556 0.000 0.000 0.333 436 H C -1.495 173.786 175.328 -0.078 0.000 1.093 436 H CA -0.339 55.649 56.048 -0.100 0.000 1.342 436 H CB 1.316 30.968 29.762 -0.184 0.000 1.983 436 H HN 0.968 nan 8.280 nan 0.000 0.503 437 K N 2.575 122.748 120.400 -0.379 0.000 2.535 437 K HA 0.413 4.733 4.320 0.000 0.000 0.310 437 K C -1.874 174.538 176.600 -0.314 0.000 1.178 437 K CA -0.712 55.390 56.287 -0.308 0.000 1.052 437 K CB 0.368 32.800 32.500 -0.113 0.000 1.364 437 K HN 0.177 nan 8.250 nan 0.000 0.475 438 V N 1.584 121.297 119.914 -0.334 0.000 2.481 438 V HA 0.670 4.790 4.120 0.000 0.000 0.286 438 V C -0.104 175.947 176.094 -0.073 0.000 1.042 438 V CA -0.202 61.973 62.300 -0.210 0.000 0.928 438 V CB 1.371 33.095 31.823 -0.164 0.000 0.986 438 V HN 0.929 nan 8.190 nan 0.000 0.462 439 T N 4.178 118.712 114.554 -0.034 0.000 2.769 439 T HA 0.638 4.988 4.350 0.000 0.000 0.306 439 T C -0.801 173.908 174.700 0.015 0.000 1.400 439 T CA -0.540 61.557 62.100 -0.004 0.000 1.007 439 T CB 1.772 70.635 68.868 -0.008 0.000 1.392 439 T HN 0.444 nan 8.240 nan 0.000 0.500 440 I N 1.155 121.737 120.570 0.019 0.000 2.493 440 I HA 0.596 4.766 4.170 0.000 0.000 0.298 440 I C -0.473 175.656 176.117 0.019 0.000 0.998 440 I CA -1.205 60.110 61.300 0.025 0.000 1.137 440 I CB 1.861 39.878 38.000 0.029 0.000 1.310 440 I HN 0.519 nan 8.210 nan 0.000 0.445 441 V N 4.808 124.732 119.914 0.016 0.000 4.959 441 V HA -0.136 3.984 4.120 0.000 0.000 0.370 441 V C -2.112 173.985 176.094 0.004 0.000 0.656 441 V CA -0.030 62.276 62.300 0.009 0.000 1.480 441 V CB -1.308 30.524 31.823 0.015 0.000 1.789 441 V HN 0.844 nan 8.190 nan 0.000 0.474 442 P HA 0.215 nan 4.420 nan 0.000 0.223 442 P C 1.225 178.518 177.300 -0.011 0.000 1.097 442 P CA 0.877 63.974 63.100 -0.006 0.000 0.977 442 P CB 0.579 32.274 31.700 -0.008 0.000 0.935 443 R N -1.321 119.170 120.500 -0.016 0.000 1.193 443 R HA -0.159 4.181 4.340 0.000 0.000 0.018 443 R C 1.732 178.015 176.300 -0.028 0.000 0.960 443 R CA 2.393 58.480 56.100 -0.022 0.000 1.987 443 R CB -2.397 27.891 30.300 -0.021 0.000 0.132 443 R HN 0.355 nan 8.270 nan 0.000 0.732 444 G N -0.043 108.740 108.800 -0.027 0.000 2.508 444 G HA2 -0.099 3.861 3.960 0.000 0.000 0.212 444 G HA3 -0.099 3.861 3.960 0.000 0.000 0.212 444 G C 1.310 176.181 174.900 -0.049 0.000 1.206 444 G CA 0.690 45.768 45.100 -0.036 0.000 0.822 444 G HN 0.346 nan 8.290 nan 0.000 0.550 445 R N 0.658 121.135 120.500 -0.039 0.000 2.265 445 R HA -0.227 4.113 4.340 0.000 0.000 0.268 445 R C 2.325 178.578 176.300 -0.079 0.000 1.178 445 R CA 1.313 57.386 56.100 -0.044 0.000 1.005 445 R CB -0.525 29.760 30.300 -0.025 0.000 0.891 445 R HN 0.325 nan 8.270 nan 0.000 0.472 446 A N 0.277 123.041 122.820 -0.094 0.000 2.176 446 A HA 0.005 4.325 4.320 0.000 0.000 0.214 446 A C 1.532 178.924 177.584 -0.319 0.000 1.327 446 A CA 0.509 52.457 52.037 -0.148 0.000 1.015 446 A CB -0.278 18.665 19.000 -0.095 0.000 0.818 446 A HN 0.204 nan 8.150 nan 0.000 0.500 447 L N -2.081 118.964 121.223 -0.297 0.000 2.470 447 L HA 0.193 4.533 4.340 0.000 0.000 0.219 447 L C 2.590 179.211 176.870 -0.415 0.000 1.071 447 L CA 0.805 55.399 54.840 -0.410 0.000 0.850 447 L CB -0.542 41.388 42.059 -0.215 0.000 1.040 447 L HN 0.384 nan 8.230 nan 0.000 0.475 448 G N 1.917 110.594 108.800 -0.205 0.000 2.785 448 G HA2 -0.387 3.573 3.960 0.000 0.000 0.225 448 G HA3 -0.387 3.573 3.960 0.000 0.000 0.225 448 G C 1.142 176.075 174.900 0.056 0.000 1.093 448 G CA 1.495 46.565 45.100 -0.049 0.000 0.740 448 G HN 0.552 nan 8.290 nan 0.000 0.629 449 F N 0.362 120.340 119.950 0.046 0.000 2.726 449 F HA 0.524 5.051 4.527 0.000 0.000 0.296 449 F C 1.131 176.962 175.800 0.052 0.000 1.250 449 F CA -0.079 57.952 58.000 0.051 0.000 1.434 449 F CB -0.495 38.499 39.000 -0.011 0.000 1.043 449 F HN 0.358 nan 8.300 nan 0.000 0.508 450 M N -2.987 116.743 119.600 0.217 0.000 1.392 450 M HA 0.169 4.649 4.480 0.000 0.000 0.170 450 M C 0.947 177.459 176.300 0.352 0.000 1.329 450 M CA -0.011 55.483 55.300 0.323 0.000 0.615 450 M CB -0.165 32.526 32.600 0.151 0.000 1.677 450 M HN -0.044 nan 8.290 nan 0.000 0.642 451 M N 2.247 121.941 119.600 0.157 0.000 2.352 451 M HA -0.018 4.462 4.480 0.000 0.000 0.260 451 M C -1.229 175.141 176.300 0.117 0.000 1.068 451 M CA 2.880 58.255 55.300 0.126 0.000 1.082 451 M CB -1.253 31.371 32.600 0.040 0.000 1.262 451 M HN 0.344 nan 8.290 nan 0.000 0.444 452 P HA -0.052 nan 4.420 nan 0.000 0.274 452 P C 0.280 177.619 177.300 0.064 0.000 1.370 452 P CA 1.114 64.248 63.100 0.057 0.000 0.760 452 P CB -0.161 31.561 31.700 0.038 0.000 1.308 453 R N -1.144 119.418 120.500 0.104 0.000 2.635 453 R HA 0.127 4.467 4.340 0.000 0.000 0.241 453 R C 2.004 178.225 176.300 -0.132 0.000 0.941 453 R CA 0.050 56.157 56.100 0.012 0.000 1.014 453 R CB 0.384 30.777 30.300 0.156 0.000 1.517 453 R HN 0.038 nan 8.270 nan 0.000 0.594 454 R N 1.222 121.773 120.500 0.086 0.000 2.161 454 R HA 0.038 4.378 4.340 0.000 0.000 0.213 454 R C 0.627 176.941 176.300 0.023 0.000 1.055 454 R CA 1.371 57.525 56.100 0.091 0.000 0.996 454 R CB 0.020 30.514 30.300 0.323 0.000 0.901 454 R HN 0.002 nan 8.270 nan 0.000 0.456 455 E N 0.577 120.789 120.200 0.020 0.000 2.403 455 E HA 0.024 4.374 4.350 0.000 0.000 0.187 455 E C -0.401 176.174 176.600 -0.041 0.000 1.073 455 E CA 0.185 56.579 56.400 -0.011 0.000 0.888 455 E CB 0.320 30.021 29.700 0.001 0.000 1.035 455 E HN 0.306 nan 8.360 nan 0.000 0.471 456 D N 1.194 121.547 120.400 -0.079 0.000 2.997 456 D HA 0.098 4.738 4.640 0.000 0.000 0.362 456 D C -0.373 175.812 176.300 -0.191 0.000 1.298 456 D CA -0.560 53.374 54.000 -0.111 0.000 0.756 456 D CB 0.092 40.840 40.800 -0.087 0.000 1.216 456 D HN -0.019 nan 8.370 nan 0.000 0.496 457 M N 0.489 119.979 119.600 -0.183 0.000 2.129 457 M HA -0.106 4.374 4.480 0.000 0.000 0.548 457 M C -0.925 175.199 176.300 -0.294 0.000 1.200 457 M CA 0.629 55.803 55.300 -0.211 0.000 0.569 457 M CB -0.512 32.009 32.600 -0.132 0.000 1.920 457 M HN 0.216 nan 8.290 nan 0.000 0.586 458 L N 3.229 124.222 121.223 -0.383 0.000 2.983 458 L HA 0.356 4.696 4.340 0.000 0.000 0.249 458 L C -0.835 175.803 176.870 -0.386 0.000 0.963 458 L CA -0.381 54.192 54.840 -0.445 0.000 1.011 458 L CB 1.174 42.999 42.059 -0.391 0.000 1.607 458 L HN 0.838 nan 8.230 nan 0.000 0.447 459 H N 2.245 121.240 119.070 -0.125 0.000 3.342 459 H HA 0.017 4.573 4.556 0.000 0.000 0.237 459 H C -0.448 174.867 175.328 -0.022 0.000 1.044 459 H CA -0.328 55.681 56.048 -0.065 0.000 1.436 459 H CB -0.199 29.543 29.762 -0.033 0.000 1.569 459 H HN 0.471 nan 8.280 nan 0.000 0.507 460 W N 2.483 123.768 121.300 -0.027 0.000 1.644 460 W HA 0.166 4.826 4.660 0.000 0.000 0.429 460 W C 0.735 177.175 176.519 -0.131 0.000 1.980 460 W CA -0.255 57.035 57.345 -0.093 0.000 2.191 460 W CB 0.606 29.952 29.460 -0.190 0.000 1.542 460 W HN 0.563 nan 8.180 nan 0.000 0.799 461 S N -0.904 114.834 115.700 0.063 0.000 2.543 461 S HA 0.283 4.753 4.470 0.000 0.000 0.273 461 S C 0.562 175.094 174.600 -0.114 0.000 1.152 461 S CA -0.548 57.624 58.200 -0.046 0.000 0.910 461 S CB 1.459 64.646 63.200 -0.021 0.000 1.105 461 S HN 0.489 nan 8.310 nan 0.000 0.465 462 R N 3.530 123.965 120.500 -0.108 0.000 2.159 462 R HA -0.201 4.139 4.340 0.000 0.000 0.252 462 R C 1.593 177.842 176.300 -0.084 0.000 1.144 462 R CA 2.592 58.639 56.100 -0.089 0.000 0.961 462 R CB -0.576 29.699 30.300 -0.041 0.000 0.877 462 R HN 0.722 nan 8.270 nan 0.000 0.444 463 K N -0.517 119.836 120.400 -0.077 0.000 2.002 463 K HA -0.048 4.272 4.320 0.000 0.000 0.209 463 K C 2.396 178.942 176.600 -0.088 0.000 1.048 463 K CA 1.640 57.879 56.287 -0.080 0.000 0.930 463 K CB -0.073 32.376 32.500 -0.085 0.000 0.714 463 K HN 0.136 nan 8.250 nan 0.000 0.438 464 R N 0.923 121.372 120.500 -0.085 0.000 2.083 464 R HA -0.116 4.224 4.340 0.000 0.000 0.237 464 R C 2.365 178.582 176.300 -0.139 0.000 1.137 464 R CA 1.359 57.410 56.100 -0.082 0.000 0.951 464 R CB -0.977 29.305 30.300 -0.029 0.000 0.851 464 R HN 0.244 nan 8.270 nan 0.000 0.434 465 L N 0.672 121.774 121.223 -0.202 0.000 2.079 465 L HA -0.169 4.171 4.340 0.000 0.000 0.210 465 L C 2.575 179.361 176.870 -0.140 0.000 1.081 465 L CA 1.089 55.782 54.840 -0.245 0.000 0.752 465 L CB -0.667 41.222 42.059 -0.283 0.000 0.896 465 L HN 0.081 nan 8.230 nan 0.000 0.433 466 L N -0.241 120.925 121.223 -0.094 0.000 2.012 466 L HA -0.246 4.094 4.340 0.000 0.000 0.210 466 L C 2.226 179.065 176.870 -0.051 0.000 1.073 466 L CA 1.413 56.219 54.840 -0.056 0.000 0.748 466 L CB -0.642 41.391 42.059 -0.043 0.000 0.891 466 L HN 0.245 nan 8.230 nan 0.000 0.431 467 D N -0.976 119.392 120.400 -0.053 0.000 2.144 467 D HA -0.189 4.451 4.640 0.000 0.000 0.199 467 D C 2.317 178.580 176.300 -0.061 0.000 0.984 467 D CA 0.669 54.666 54.000 -0.006 0.000 0.834 467 D CB -0.119 40.681 40.800 0.001 0.000 0.955 467 D HN 0.150 nan 8.370 nan 0.000 0.465 468 Q N 0.287 120.007 119.800 -0.134 0.000 2.045 468 Q HA -0.133 4.207 4.340 0.000 0.000 0.206 468 Q C 2.379 178.185 176.000 -0.323 0.000 0.991 468 Q CA 0.999 56.645 55.803 -0.262 0.000 0.851 468 Q CB -0.519 28.069 28.738 -0.250 0.000 0.911 468 Q HN 0.433 nan 8.270 nan 0.000 0.418 469 I N 0.009 120.479 120.570 -0.167 0.000 2.454 469 I HA -0.259 3.911 4.170 0.000 0.000 0.254 469 I C 2.162 178.229 176.117 -0.083 0.000 1.156 469 I CA 0.864 62.106 61.300 -0.097 0.000 1.433 469 I CB -0.540 37.446 38.000 -0.025 0.000 1.082 469 I HN 0.063 nan 8.210 nan 0.000 0.432 470 A N 1.162 123.944 122.820 -0.062 0.000 1.832 470 A HA -0.115 4.205 4.320 0.000 0.000 0.214 470 A C 2.345 179.902 177.584 -0.045 0.000 1.204 470 A CA 1.529 53.565 52.037 -0.002 0.000 0.606 470 A CB -1.028 18.008 19.000 0.061 0.000 0.849 470 A HN 0.197 nan 8.150 nan 0.000 0.445 471 V N 0.501 120.352 119.914 -0.105 0.000 2.660 471 V HA -0.295 3.825 4.120 0.000 0.000 0.257 471 V C 2.866 178.845 176.094 -0.192 0.000 1.088 471 V CA 1.814 64.026 62.300 -0.145 0.000 1.106 471 V CB -1.791 29.874 31.823 -0.263 0.000 0.686 471 V HN 0.620 nan 8.190 nan 0.000 0.481 472 A N 0.694 123.306 122.820 -0.347 0.000 1.851 472 A HA -0.163 4.158 4.320 0.000 0.000 0.216 472 A C 2.105 179.678 177.584 -0.019 0.000 1.195 472 A CA 2.103 54.022 52.037 -0.196 0.000 0.622 472 A CB -0.583 18.349 19.000 -0.114 0.000 0.831 472 A HN 0.536 nan 8.150 nan 0.000 0.444 473 L N -0.498 120.669 121.223 -0.093 0.000 2.552 473 L HA 0.030 4.370 4.340 0.000 0.000 0.227 473 L C 2.788 179.581 176.870 -0.128 0.000 1.146 473 L CA 0.409 55.129 54.840 -0.201 0.000 0.858 473 L CB -0.561 41.409 42.059 -0.147 0.000 0.969 473 L HN 0.423 nan 8.230 nan 0.000 0.451 474 A N 1.201 123.995 122.820 -0.043 0.000 1.954 474 A HA -0.284 4.036 4.320 0.000 0.000 0.222 474 A C 2.440 179.821 177.584 -0.338 0.000 1.199 474 A CA 2.278 54.251 52.037 -0.106 0.000 0.657 474 A CB -1.366 17.602 19.000 -0.053 0.000 0.823 474 A HN 0.459 nan 8.150 nan 0.000 0.463 475 G N -0.683 107.776 108.800 -0.568 0.000 2.459 475 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 475 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 475 G C 1.626 175.941 174.900 -0.976 0.000 1.183 475 G CA 1.491 46.003 45.100 -0.981 0.000 0.776 475 G HN 0.597 nan 8.290 nan 0.000 0.552 476 R N 1.257 121.452 120.500 -0.508 0.000 2.187 476 R HA 0.059 4.399 4.340 0.000 0.000 0.215 476 R C 2.776 178.998 176.300 -0.130 0.000 1.106 476 R CA 2.176 58.114 56.100 -0.269 0.000 0.869 476 R CB -1.458 28.659 30.300 -0.305 0.000 0.789 476 R HN 0.415 nan 8.270 nan 0.000 0.447 477 A N 0.365 123.241 122.820 0.094 0.000 1.818 477 A HA -0.392 3.928 4.320 0.000 0.000 0.310 477 A C 2.355 179.982 177.584 0.071 0.000 3.572 477 A CA 4.197 56.393 52.037 0.265 0.000 0.984 477 A CB -1.966 17.167 19.000 0.221 0.000 0.719 477 A HN 0.932 nan 8.150 nan 0.000 0.500 478 A N -0.184 122.618 122.820 -0.031 0.000 1.883 478 A HA -0.401 3.919 4.320 0.000 0.000 0.226 478 A C 2.027 179.640 177.584 0.048 0.000 1.512 478 A CA 3.680 55.716 52.037 -0.003 0.000 0.738 478 A CB -1.365 17.602 19.000 -0.056 0.000 0.848 478 A HN 1.109 nan 8.150 nan 0.000 0.477 479 E N -0.552 119.664 120.200 0.028 0.000 2.051 479 E HA -0.271 4.079 4.350 0.000 0.000 0.192 479 E C 1.899 178.584 176.600 0.142 0.000 0.991 479 E CA 1.536 58.016 56.400 0.133 0.000 0.799 479 E CB -0.515 29.202 29.700 0.029 0.000 0.748 479 E HN 0.707 nan 8.360 nan 0.000 0.449 480 E N 1.264 121.535 120.200 0.117 0.000 2.136 480 E HA -0.259 4.091 4.350 0.000 0.000 0.208 480 E C 1.788 178.444 176.600 0.093 0.000 1.035 480 E CA 2.423 58.904 56.400 0.136 0.000 0.838 480 E CB -0.286 29.541 29.700 0.212 0.000 0.748 480 E HN 0.497 nan 8.360 nan 0.000 0.459 481 I N -0.837 119.772 120.570 0.065 0.000 2.265 481 I HA -0.226 3.944 4.170 0.000 0.000 0.225 481 I C 2.315 178.419 176.117 -0.022 0.000 1.061 481 I CA 0.893 62.202 61.300 0.015 0.000 1.357 481 I CB -0.730 37.272 38.000 0.002 0.000 1.150 481 I HN 0.026 nan 8.210 nan 0.000 0.402 482 V N 0.443 120.306 119.914 -0.085 0.000 2.231 482 V HA -0.291 3.829 4.120 0.000 0.000 0.250 482 V C 1.115 177.054 176.094 -0.260 0.000 1.058 482 V CA 1.559 63.696 62.300 -0.272 0.000 1.022 482 V CB -0.517 30.911 31.823 -0.659 0.000 0.640 482 V HN 0.125 nan 8.190 nan 0.000 0.445 483 F N 0.246 120.081 119.950 -0.191 0.000 2.440 483 F HA 0.099 4.626 4.527 0.000 0.000 0.323 483 F C 1.205 176.973 175.800 -0.054 0.000 1.192 483 F CA 0.192 58.123 58.000 -0.115 0.000 1.252 483 F CB 0.093 39.058 39.000 -0.059 0.000 1.214 483 F HN 0.034 nan 8.300 nan 0.000 0.578 484 D N 1.392 121.925 120.400 0.223 0.000 2.431 484 D HA -0.178 4.462 4.640 0.000 0.000 0.255 484 D C 0.681 177.052 176.300 0.118 0.000 1.221 484 D CA 1.204 55.281 54.000 0.128 0.000 1.004 484 D CB -0.570 40.324 40.800 0.158 0.000 0.914 484 D HN 0.450 nan 8.370 nan 0.000 0.504 485 D N -1.252 119.221 120.400 0.122 0.000 3.067 485 D HA -0.205 4.435 4.640 0.000 0.000 0.216 485 D C -0.408 175.944 176.300 0.088 0.000 1.162 485 D CA 0.832 54.884 54.000 0.087 0.000 0.960 485 D CB -0.626 40.204 40.800 0.049 0.000 1.129 485 D HN 0.223 nan 8.370 nan 0.000 0.408 486 V N -1.052 118.927 119.914 0.107 0.000 2.713 486 V HA 0.615 4.735 4.120 0.000 0.000 0.307 486 V C 0.698 176.837 176.094 0.074 0.000 1.052 486 V CA -0.565 61.784 62.300 0.082 0.000 0.967 486 V CB 1.944 33.806 31.823 0.065 0.000 1.019 486 V HN -0.041 nan 8.190 nan 0.000 0.459 487 T N 1.899 116.485 114.554 0.053 0.000 2.749 487 T HA 0.330 4.680 4.350 0.000 0.000 0.287 487 T C 0.142 174.856 174.700 0.023 0.000 0.970 487 T CA -0.039 62.090 62.100 0.047 0.000 0.980 487 T CB 1.121 70.028 68.868 0.065 0.000 0.924 487 T HN 0.911 nan 8.240 nan 0.000 0.456 488 T N 2.548 117.104 114.554 0.004 0.000 2.884 488 T HA 0.376 4.726 4.350 0.000 0.000 0.298 488 T C 1.158 175.875 174.700 0.027 0.000 0.998 488 T CA -0.452 61.639 62.100 -0.014 0.000 1.124 488 T CB 0.195 69.019 68.868 -0.074 0.000 0.931 488 T HN 0.716 nan 8.240 nan 0.000 0.531 489 G N 3.495 112.301 108.800 0.010 0.000 2.789 489 G HA2 0.455 4.415 3.960 0.000 0.000 0.281 489 G HA3 0.455 4.415 3.960 0.000 0.000 0.281 489 G C 0.119 175.037 174.900 0.029 0.000 0.708 489 G CA -0.182 44.930 45.100 0.020 0.000 2.067 489 G HN 0.923 nan 8.290 nan 0.000 0.554 490 A N 2.468 125.339 122.820 0.084 0.000 2.586 490 A HA 0.564 4.884 4.320 0.000 0.000 0.320 490 A C 0.825 178.526 177.584 0.196 0.000 1.281 490 A CA -0.614 51.457 52.037 0.056 0.000 0.775 490 A CB 0.639 19.565 19.000 -0.123 0.000 1.122 490 A HN 0.634 nan 8.150 nan 0.000 0.470 491 E N 1.689 121.997 120.200 0.181 0.000 2.094 491 E HA -0.091 4.259 4.350 0.000 0.000 0.193 491 E C 1.269 178.035 176.600 0.276 0.000 0.950 491 E CA 0.519 57.105 56.400 0.310 0.000 0.842 491 E CB -0.321 29.475 29.700 0.161 0.000 0.816 491 E HN 0.562 nan 8.360 nan 0.000 0.465 492 N N 1.825 120.605 118.700 0.132 0.000 2.217 492 N HA -0.301 4.439 4.740 0.000 0.000 0.195 492 N C 1.153 176.713 175.510 0.084 0.000 0.950 492 N CA 2.531 55.627 53.050 0.077 0.000 0.910 492 N CB -0.386 38.110 38.487 0.014 0.000 1.073 492 N HN 0.180 nan 8.380 nan 0.000 0.663 493 D N -0.476 119.968 120.400 0.073 0.000 2.653 493 D HA -0.254 4.386 4.640 0.000 0.000 0.199 493 D C 1.830 178.139 176.300 0.014 0.000 1.042 493 D CA 1.718 55.749 54.000 0.051 0.000 0.876 493 D CB -0.987 39.796 40.800 -0.028 0.000 1.010 493 D HN 0.350 nan 8.370 nan 0.000 0.473 494 F N 0.537 120.535 119.950 0.081 0.000 2.087 494 F HA -0.207 4.320 4.527 0.000 0.000 0.299 494 F C 2.695 178.523 175.800 0.047 0.000 1.100 494 F CA 1.400 59.424 58.000 0.040 0.000 1.226 494 F CB -0.380 38.623 39.000 0.004 0.000 0.983 494 F HN -0.086 nan 8.300 nan 0.000 0.479 495 R N 0.728 121.366 120.500 0.229 0.000 2.082 495 R HA -0.227 4.113 4.340 0.000 0.000 0.234 495 R C 2.207 178.570 176.300 0.104 0.000 1.136 495 R CA 2.173 58.351 56.100 0.130 0.000 0.935 495 R CB -0.851 29.500 30.300 0.084 0.000 0.842 495 R HN 0.353 nan 8.270 nan 0.000 0.430 496 Q N -0.457 119.396 119.800 0.088 0.000 2.047 496 Q HA -0.242 4.098 4.340 0.000 0.000 0.211 496 Q C 2.099 178.198 176.000 0.164 0.000 1.005 496 Q CA 2.832 58.693 55.803 0.096 0.000 0.866 496 Q CB -0.345 28.418 28.738 0.041 0.000 0.938 496 Q HN 0.514 nan 8.270 nan 0.000 0.414 497 A N -0.328 122.600 122.820 0.179 0.000 1.892 497 A HA -0.254 4.066 4.320 0.000 0.000 0.218 497 A C 2.229 179.879 177.584 0.109 0.000 1.188 497 A CA 2.242 54.359 52.037 0.132 0.000 0.631 497 A CB -1.050 18.001 19.000 0.085 0.000 0.822 497 A HN 0.468 nan 8.150 nan 0.000 0.447 498 T N -0.848 113.773 114.554 0.112 0.000 2.857 498 T HA -0.082 4.268 4.350 0.000 0.000 0.266 498 T C 1.891 176.628 174.700 0.062 0.000 1.048 498 T CA 1.121 63.274 62.100 0.088 0.000 1.139 498 T CB -0.175 68.746 68.868 0.089 0.000 0.874 498 T HN 0.543 nan 8.240 nan 0.000 0.455 499 E N 1.147 121.384 120.200 0.061 0.000 2.031 499 E HA -0.092 4.258 4.350 0.000 0.000 0.193 499 E C 2.151 178.765 176.600 0.023 0.000 0.994 499 E CA 0.792 57.212 56.400 0.032 0.000 0.800 499 E CB -0.289 29.433 29.700 0.036 0.000 0.752 499 E HN 0.308 nan 8.360 nan 0.000 0.447 500 L N 0.117 121.386 121.223 0.076 0.000 2.349 500 L HA -0.153 4.187 4.340 0.000 0.000 0.220 500 L C 1.929 178.898 176.870 0.165 0.000 1.130 500 L CA 1.479 56.400 54.840 0.135 0.000 0.791 500 L CB -0.443 41.692 42.059 0.125 0.000 0.918 500 L HN 0.102 nan 8.230 nan 0.000 0.444 501 A N -0.747 122.131 122.820 0.097 0.000 2.324 501 A HA 0.043 4.363 4.320 0.000 0.000 0.220 501 A C 1.985 179.600 177.584 0.052 0.000 1.209 501 A CA -0.243 51.851 52.037 0.096 0.000 0.918 501 A CB -0.002 19.043 19.000 0.075 0.000 0.959 501 A HN 0.404 nan 8.150 nan 0.000 0.507 502 R N -0.107 120.398 120.500 0.008 0.000 2.119 502 R HA 0.135 4.475 4.340 0.000 0.000 0.222 502 R C 2.000 178.250 176.300 -0.083 0.000 1.088 502 R CA 0.605 56.687 56.100 -0.029 0.000 0.984 502 R CB -0.293 29.983 30.300 -0.039 0.000 0.884 502 R HN 0.217 nan 8.270 nan 0.000 0.447 503 R N 0.799 121.190 120.500 -0.181 0.000 2.103 503 R HA -0.102 4.238 4.340 0.000 0.000 0.234 503 R C 2.208 178.424 176.300 -0.140 0.000 1.132 503 R CA 1.670 57.454 56.100 -0.527 0.000 0.925 503 R CB -0.479 29.088 30.300 -1.222 0.000 0.842 503 R HN 0.211 nan 8.270 nan 0.000 0.430 504 M N 0.101 119.858 119.600 0.261 0.000 2.186 504 M HA -0.275 4.205 4.480 0.000 0.000 0.249 504 M C 2.304 178.771 176.300 0.278 0.000 1.081 504 M CA 1.831 57.386 55.300 0.426 0.000 1.072 504 M CB -0.852 31.884 32.600 0.226 0.000 1.318 504 M HN 0.142 nan 8.290 nan 0.000 0.405 505 I N -1.511 119.151 120.570 0.152 0.000 2.385 505 I HA -0.173 3.997 4.170 0.000 0.000 0.244 505 I C 2.329 178.548 176.117 0.171 0.000 1.089 505 I CA 1.499 62.898 61.300 0.167 0.000 1.410 505 I CB -0.216 37.881 38.000 0.162 0.000 1.117 505 I HN 0.394 nan 8.210 nan 0.000 0.429 506 T N -2.538 112.048 114.554 0.054 0.000 2.898 506 T HA 0.006 4.356 4.350 0.000 0.000 0.241 506 T C 1.790 176.577 174.700 0.146 0.000 1.024 506 T CA 0.396 62.533 62.100 0.063 0.000 1.174 506 T CB -0.379 68.450 68.868 -0.065 0.000 0.873 506 T HN 0.099 nan 8.240 nan 0.000 0.422 507 E N -0.398 119.791 120.200 -0.019 0.000 2.051 507 E HA -0.001 4.349 4.350 0.000 0.000 0.189 507 E C 0.278 176.887 176.600 0.015 0.000 0.979 507 E CA 0.573 56.919 56.400 -0.091 0.000 0.803 507 E CB 0.164 29.661 29.700 -0.337 0.000 0.761 507 E HN 0.463 nan 8.360 nan 0.000 0.451 508 W N 0.327 121.708 121.300 0.135 0.000 2.116 508 W HA 0.476 5.136 4.660 0.000 0.000 0.374 508 W C 0.650 177.253 176.519 0.140 0.000 1.445 508 W CA -0.602 56.824 57.345 0.134 0.000 1.582 508 W CB -0.216 29.323 29.460 0.132 0.000 1.263 508 W HN -0.072 nan 8.180 nan 0.000 0.683 509 G N 1.974 111.012 108.800 0.397 0.000 2.588 509 G HA2 0.595 4.555 3.960 0.000 0.000 0.312 509 G HA3 0.595 4.555 3.960 0.000 0.000 0.312 509 G C -0.877 174.184 174.900 0.267 0.000 1.257 509 G CA -0.661 44.611 45.100 0.287 0.000 0.994 509 G HN 0.125 nan 8.290 nan 0.000 0.498 510 M N 1.999 121.746 119.600 0.246 0.000 2.204 510 M HA 0.226 4.706 4.480 0.000 0.000 0.293 510 M C -0.811 175.590 176.300 0.167 0.000 0.994 510 M CA -0.776 54.638 55.300 0.190 0.000 0.925 510 M CB 2.452 35.150 32.600 0.162 0.000 1.577 510 M HN 0.631 nan 8.290 nan 0.000 0.439 511 H N 2.422 121.534 119.070 0.069 0.000 2.989 511 H HA 0.222 4.778 4.556 0.000 0.000 0.284 511 H C -1.842 173.487 175.328 0.001 0.000 1.440 511 H CA -0.687 55.395 56.048 0.057 0.000 1.209 511 H CB -0.434 29.358 29.762 0.050 0.000 1.453 511 H HN 0.384 nan 8.280 nan 0.000 0.550 512 P HA -0.224 nan 4.420 nan 0.000 0.287 512 P C 1.087 178.324 177.300 -0.105 0.000 1.639 512 P CA 0.602 63.608 63.100 -0.158 0.000 1.314 512 P CB 0.714 32.155 31.700 -0.432 0.000 0.776 513 E N -1.170 118.922 120.200 -0.180 0.000 2.187 513 E HA -0.161 4.190 4.350 0.000 0.000 0.199 513 E C 0.272 176.922 176.600 0.084 0.000 1.004 513 E CA 0.984 57.336 56.400 -0.081 0.000 0.813 513 E CB -0.425 29.202 29.700 -0.122 0.000 0.736 513 E HN 0.389 nan 8.360 nan 0.000 0.468 514 F N 0.361 120.277 119.950 -0.057 0.000 2.443 514 F HA 0.259 4.786 4.527 0.000 0.000 0.353 514 F C 1.547 177.278 175.800 -0.115 0.000 1.101 514 F CA -1.010 56.976 58.000 -0.024 0.000 1.226 514 F CB 0.634 39.552 39.000 -0.136 0.000 1.140 514 F HN -0.057 nan 8.300 nan 0.000 0.557 515 G N 2.229 111.075 108.800 0.077 0.000 2.803 515 G HA2 0.209 4.169 3.960 0.000 0.000 0.177 515 G HA3 0.209 4.169 3.960 0.000 0.000 0.177 515 G C -2.249 172.438 174.900 -0.355 0.000 1.629 515 G CA -0.602 44.245 45.100 -0.421 0.000 1.077 515 G HN 0.476 nan 8.290 nan 0.000 0.556 516 P HA 0.291 nan 4.420 nan 0.000 0.228 516 P C -0.394 176.942 177.300 0.060 0.000 1.873 516 P CA -0.294 62.871 63.100 0.108 0.000 1.033 516 P CB 0.306 32.139 31.700 0.222 0.000 1.707 517 V N -1.316 118.604 119.914 0.010 0.000 2.966 517 V HA 0.818 4.938 4.120 0.000 0.000 0.317 517 V C 0.540 176.553 176.094 -0.135 0.000 1.070 517 V CA -1.363 60.836 62.300 -0.168 0.000 1.008 517 V CB 1.427 32.949 31.823 -0.502 0.000 1.070 517 V HN 0.170 nan 8.190 nan 0.000 0.457 518 A N 1.225 123.930 122.820 -0.192 0.000 2.654 518 A HA 0.624 4.944 4.320 0.000 0.000 0.345 518 A C -0.451 177.129 177.584 -0.007 0.000 1.368 518 A CA -0.422 51.601 52.037 -0.024 0.000 0.895 518 A CB -0.436 18.567 19.000 0.006 0.000 1.143 518 A HN 0.784 nan 8.150 nan 0.000 0.490 519 Y N 0.649 120.966 120.300 0.029 0.000 2.496 519 Y HA 0.503 5.053 4.550 0.000 0.000 0.313 519 Y C 0.996 176.997 175.900 0.169 0.000 1.184 519 Y CA 0.034 58.188 58.100 0.089 0.000 1.275 519 Y CB -0.503 37.955 38.460 -0.004 0.000 1.103 519 Y HN 0.722 nan 8.280 nan 0.000 0.513 520 A N -0.693 122.249 122.820 0.204 0.000 2.566 520 A HA 0.760 5.080 4.320 0.000 0.000 0.290 520 A C -1.148 176.474 177.584 0.063 0.000 1.071 520 A CA -0.527 51.591 52.037 0.135 0.000 0.658 520 A CB 0.783 19.850 19.000 0.111 0.000 1.285 520 A HN 0.181 nan 8.150 nan 0.000 0.427 521 V N -0.329 119.608 119.914 0.037 0.000 3.214 521 V HA 0.302 4.422 4.120 0.000 0.000 0.433 521 V C 0.281 176.381 176.094 0.010 0.000 1.469 521 V CA 0.002 62.315 62.300 0.022 0.000 1.825 521 V CB -0.010 31.825 31.823 0.020 0.000 1.245 521 V HN 1.167 nan 8.190 nan 0.000 0.637 522 R N 1.411 121.911 120.500 -0.000 0.000 2.730 522 R HA -0.005 4.335 4.340 0.000 0.000 0.327 522 R C -0.302 175.994 176.300 -0.008 0.000 0.825 522 R CA 0.684 56.784 56.100 -0.001 0.000 1.130 522 R CB 0.395 30.688 30.300 -0.012 0.000 0.883 522 R HN 0.676 nan 8.270 nan 0.000 0.407 523 E N 3.648 123.836 120.200 -0.020 0.000 2.345 523 E HA 0.099 4.449 4.350 0.000 0.000 0.259 523 E C -0.647 175.893 176.600 -0.101 0.000 1.117 523 E CA -0.482 55.886 56.400 -0.052 0.000 0.913 523 E CB 0.887 30.551 29.700 -0.060 0.000 1.057 523 E HN 0.689 nan 8.360 nan 0.000 0.432 524 D N 0.113 120.444 120.400 -0.115 0.000 3.100 524 D HA 0.139 4.779 4.640 0.000 0.000 0.350 524 D C -0.840 175.368 176.300 -0.153 0.000 1.310 524 D CA -0.262 53.652 54.000 -0.142 0.000 0.741 524 D CB 0.491 41.239 40.800 -0.087 0.000 1.248 524 D HN 0.087 nan 8.370 nan 0.000 0.527 525 T N -0.957 113.487 114.554 -0.183 0.000 2.810 525 T HA 0.106 4.456 4.350 0.000 0.000 0.277 525 T C 0.629 175.265 174.700 -0.106 0.000 0.973 525 T CA -0.331 61.705 62.100 -0.106 0.000 0.949 525 T CB 1.067 69.886 68.868 -0.081 0.000 1.075 525 T HN 0.161 nan 8.240 nan 0.000 0.537 526 Y N -0.642 119.609 120.300 -0.081 0.000 2.475 526 Y HA 0.233 4.784 4.550 0.000 0.000 0.289 526 Y C 1.782 177.651 175.900 -0.051 0.000 1.121 526 Y CA 0.930 58.994 58.100 -0.060 0.000 1.257 526 Y CB 0.143 38.577 38.460 -0.043 0.000 1.026 526 Y HN 0.356 nan 8.280 nan 0.000 0.555 527 L N -2.664 118.618 121.223 0.099 0.000 2.694 527 L HA 0.325 4.665 4.340 0.000 0.000 0.228 527 L C 1.490 178.380 176.870 0.034 0.000 1.048 527 L CA 0.252 55.135 54.840 0.072 0.000 0.887 527 L CB -0.091 42.015 42.059 0.077 0.000 1.265 527 L HN 0.028 nan 8.230 nan 0.000 0.492 528 G N -0.796 107.985 108.800 -0.031 0.000 2.543 528 G HA2 0.490 4.450 3.960 0.000 0.000 0.267 528 G HA3 0.490 4.450 3.960 0.000 0.000 0.267 528 G C -0.167 174.353 174.900 -0.633 0.000 1.406 528 G CA 0.096 45.102 45.100 -0.157 0.000 1.048 528 G HN 0.259 nan 8.290 nan 0.000 0.548 529 G N -1.622 106.551 108.800 -1.046 0.000 2.403 529 G HA2 0.432 4.392 3.960 0.000 0.000 0.393 529 G HA3 0.432 4.392 3.960 0.000 0.000 0.393 529 G C -0.909 173.347 174.900 -1.074 0.000 1.106 529 G CA -0.280 44.306 45.100 -0.856 0.000 1.305 529 G HN 1.260 nan 8.290 nan 0.000 0.628 530 Y N -0.917 119.377 120.300 -0.011 0.000 2.662 530 Y HA 0.566 5.116 4.550 0.000 0.000 0.334 530 Y C -0.440 175.453 175.900 -0.011 0.000 1.185 530 Y CA -1.641 56.452 58.100 -0.012 0.000 1.074 530 Y CB 0.782 39.233 38.460 -0.015 0.000 1.330 530 Y HN 0.231 nan 8.280 nan 0.000 0.458 531 D N 1.724 122.213 120.400 0.148 0.000 2.351 531 D HA 0.523 5.163 4.640 0.000 0.000 0.251 531 D C -0.775 175.563 176.300 0.063 0.000 1.137 531 D CA 0.449 54.493 54.000 0.074 0.000 0.879 531 D CB 1.330 42.154 40.800 0.041 0.000 1.181 531 D HN 0.480 nan 8.370 nan 0.000 0.448 532 V N 2.943 122.882 119.914 0.041 0.000 3.226 532 V HA 0.708 4.828 4.120 0.000 0.000 0.304 532 V C -0.512 175.584 176.094 0.004 0.000 1.336 532 V CA -1.162 61.147 62.300 0.016 0.000 1.066 532 V CB 2.378 34.203 31.823 0.003 0.000 1.087 532 V HN 0.815 nan 8.190 nan 0.000 0.451 533 R N 0.460 120.939 120.500 -0.034 0.000 3.112 533 R HA 0.491 4.831 4.340 0.000 0.000 0.271 533 R C -2.453 173.732 176.300 -0.191 0.000 1.008 533 R CA -0.917 55.160 56.100 -0.038 0.000 0.903 533 R CB 1.488 31.829 30.300 0.068 0.000 1.267 533 R HN 0.597 nan 8.270 nan 0.000 0.514 534 Q N 2.429 122.138 119.800 -0.151 0.000 2.290 534 Q HA 0.365 4.705 4.340 0.000 0.000 0.269 534 Q C -1.031 174.905 176.000 -0.107 0.000 1.016 534 Q CA -0.568 55.077 55.803 -0.264 0.000 0.754 534 Q CB 1.443 30.097 28.738 -0.139 0.000 1.247 534 Q HN 0.790 nan 8.270 nan 0.000 0.451 535 Y N -0.160 120.161 120.300 0.035 0.000 3.214 535 Y HA 0.785 5.335 4.550 0.000 0.000 0.291 535 Y C 0.391 176.300 175.900 0.015 0.000 1.653 535 Y CA -0.778 57.356 58.100 0.056 0.000 0.828 535 Y CB 0.246 38.753 38.460 0.078 0.000 1.209 535 Y HN 0.531 nan 8.280 nan 0.000 0.715 536 S N -1.098 114.714 115.700 0.187 0.000 2.580 536 S HA 0.205 4.675 4.470 0.000 0.000 0.281 536 S C -0.066 174.595 174.600 0.102 0.000 1.129 536 S CA -0.716 57.527 58.200 0.071 0.000 0.862 536 S CB 1.690 64.926 63.200 0.059 0.000 1.090 536 S HN 0.490 nan 8.310 nan 0.000 0.451 537 E N 1.583 121.813 120.200 0.051 0.000 2.113 537 E HA -0.241 4.109 4.350 0.000 0.000 0.210 537 E C 1.589 178.228 176.600 0.065 0.000 1.040 537 E CA 2.465 58.898 56.400 0.055 0.000 0.847 537 E CB -0.393 29.324 29.700 0.028 0.000 0.755 537 E HN 0.834 nan 8.360 nan 0.000 0.459 538 E N -0.456 119.774 120.200 0.050 0.000 2.033 538 E HA -0.145 4.205 4.350 0.000 0.000 0.199 538 E C 1.919 178.535 176.600 0.028 0.000 1.011 538 E CA 2.593 59.016 56.400 0.038 0.000 0.815 538 E CB -0.625 29.095 29.700 0.034 0.000 0.755 538 E HN 0.368 nan 8.360 nan 0.000 0.451 539 T N -0.551 114.023 114.554 0.033 0.000 2.969 539 T HA -0.153 4.198 4.350 0.000 0.000 0.271 539 T C 1.749 176.373 174.700 -0.128 0.000 1.127 539 T CA 1.097 63.163 62.100 -0.057 0.000 1.102 539 T CB -0.431 68.449 68.868 0.020 0.000 0.855 539 T HN 0.298 nan 8.240 nan 0.000 0.536 540 A N 1.848 124.699 122.820 0.052 0.000 1.855 540 A HA 0.067 4.387 4.320 0.000 0.000 0.213 540 A C 2.327 179.909 177.584 -0.004 0.000 1.195 540 A CA 1.318 53.395 52.037 0.067 0.000 0.610 540 A CB -0.517 18.597 19.000 0.191 0.000 0.837 540 A HN 0.424 nan 8.150 nan 0.000 0.444 541 K N -0.687 119.723 120.400 0.018 0.000 2.032 541 K HA -0.243 4.077 4.320 0.000 0.000 0.209 541 K C 2.303 178.917 176.600 0.023 0.000 1.048 541 K CA 1.652 57.951 56.287 0.020 0.000 0.927 541 K CB -0.177 32.339 32.500 0.025 0.000 0.712 541 K HN 0.201 nan 8.250 nan 0.000 0.441 542 R N 1.440 121.950 120.500 0.016 0.000 2.115 542 R HA -0.107 4.233 4.340 0.000 0.000 0.239 542 R C 2.151 178.541 176.300 0.151 0.000 1.133 542 R CA 1.894 58.036 56.100 0.070 0.000 0.935 542 R CB -0.852 29.444 30.300 -0.007 0.000 0.853 542 R HN 0.342 nan 8.270 nan 0.000 0.433 543 I N 0.394 120.911 120.570 -0.087 0.000 2.264 543 I HA -0.286 3.884 4.170 0.000 0.000 0.248 543 I C 1.693 177.828 176.117 0.029 0.000 1.111 543 I CA 1.454 62.723 61.300 -0.052 0.000 1.382 543 I CB -0.568 37.234 38.000 -0.329 0.000 1.060 543 I HN 0.243 nan 8.210 nan 0.000 0.418 544 D N 0.999 121.404 120.400 0.008 0.000 2.077 544 D HA -0.172 4.468 4.640 0.000 0.000 0.197 544 D C 2.027 178.343 176.300 0.027 0.000 0.983 544 D CA 1.310 55.320 54.000 0.017 0.000 0.841 544 D CB -0.250 40.561 40.800 0.017 0.000 0.992 544 D HN 0.274 nan 8.370 nan 0.000 0.450 545 E N 0.585 120.804 120.200 0.031 0.000 2.068 545 E HA -0.280 4.070 4.350 0.000 0.000 0.207 545 E C 2.032 178.638 176.600 0.011 0.000 1.032 545 E CA 1.692 58.106 56.400 0.023 0.000 0.839 545 E CB -0.197 29.519 29.700 0.026 0.000 0.758 545 E HN 0.245 nan 8.360 nan 0.000 0.457 546 A N 0.362 123.189 122.820 0.012 0.000 1.915 546 A HA -0.254 4.066 4.320 0.000 0.000 0.220 546 A C 2.466 180.032 177.584 -0.031 0.000 1.198 546 A CA 2.049 54.053 52.037 -0.055 0.000 0.647 546 A CB -0.853 18.078 19.000 -0.115 0.000 0.825 546 A HN 0.197 nan 8.150 nan 0.000 0.456 547 V N -0.466 119.451 119.914 0.005 0.000 2.871 547 V HA -0.123 3.997 4.120 0.000 0.000 0.256 547 V C 2.626 178.737 176.094 0.028 0.000 1.082 547 V CA 1.563 63.873 62.300 0.017 0.000 1.105 547 V CB -0.782 31.057 31.823 0.026 0.000 0.713 547 V HN 0.470 nan 8.190 nan 0.000 0.473 548 R N 1.073 121.587 120.500 0.025 0.000 2.070 548 R HA -0.138 4.202 4.340 0.000 0.000 0.232 548 R C 2.545 178.865 176.300 0.033 0.000 1.138 548 R CA 1.899 58.019 56.100 0.033 0.000 0.936 548 R CB -0.429 29.887 30.300 0.026 0.000 0.839 548 R HN 0.534 nan 8.270 nan 0.000 0.429 549 R N 0.584 121.092 120.500 0.013 0.000 2.136 549 R HA -0.195 4.145 4.340 0.000 0.000 0.242 549 R C 2.547 178.856 176.300 0.015 0.000 1.131 549 R CA 2.025 58.129 56.100 0.006 0.000 0.937 549 R CB -1.106 29.183 30.300 -0.020 0.000 0.863 549 R HN 0.221 nan 8.270 nan 0.000 0.435 550 L N 0.550 121.775 121.223 0.004 0.000 1.970 550 L HA -0.223 4.117 4.340 0.000 0.000 0.212 550 L C 2.522 179.420 176.870 0.047 0.000 1.071 550 L CA 1.743 56.591 54.840 0.013 0.000 0.751 550 L CB -0.235 41.827 42.059 0.004 0.000 0.889 550 L HN 0.240 nan 8.230 nan 0.000 0.432 551 I N -0.412 120.198 120.570 0.067 0.000 2.252 551 I HA -0.293 3.877 4.170 0.000 0.000 0.245 551 I C 2.435 178.641 176.117 0.149 0.000 1.102 551 I CA 1.042 62.405 61.300 0.105 0.000 1.385 551 I CB -0.077 37.993 38.000 0.118 0.000 1.064 551 I HN 0.320 nan 8.210 nan 0.000 0.414 552 E N 1.298 121.578 120.200 0.133 0.000 2.021 552 E HA -0.326 4.024 4.350 0.000 0.000 0.200 552 E C 1.999 178.684 176.600 0.142 0.000 1.015 552 E CA 2.287 58.788 56.400 0.168 0.000 0.824 552 E CB -0.278 29.486 29.700 0.108 0.000 0.762 552 E HN 0.594 nan 8.360 nan 0.000 0.454 553 E N -0.325 119.920 120.200 0.076 0.000 2.118 553 E HA -0.320 4.030 4.350 0.000 0.000 0.195 553 E C 2.158 178.784 176.600 0.043 0.000 0.992 553 E CA 1.472 57.895 56.400 0.039 0.000 0.804 553 E CB -0.281 29.429 29.700 0.017 0.000 0.741 553 E HN 0.197 nan 8.360 nan 0.000 0.458 554 Q N -0.244 119.598 119.800 0.069 0.000 2.167 554 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 554 Q C 1.775 177.853 176.000 0.129 0.000 0.970 554 Q CA 1.491 57.339 55.803 0.075 0.000 0.855 554 Q CB -0.473 28.304 28.738 0.065 0.000 0.911 554 Q HN 0.583 nan 8.270 nan 0.000 0.438 555 Y N 0.251 120.566 120.300 0.024 0.000 2.200 555 Y HA -0.157 4.393 4.550 0.000 0.000 0.290 555 Y C 1.872 177.785 175.900 0.021 0.000 1.137 555 Y CA 1.654 59.769 58.100 0.026 0.000 1.163 555 Y CB -0.358 38.136 38.460 0.057 0.000 0.988 555 Y HN 0.107 nan 8.280 nan 0.000 0.518 556 Q N 0.841 120.533 119.800 -0.179 0.000 2.112 556 Q HA -0.260 4.081 4.340 0.000 0.000 0.206 556 Q C 2.461 178.379 176.000 -0.136 0.000 0.987 556 Q CA 1.938 57.587 55.803 -0.257 0.000 0.858 556 Q CB -0.526 28.126 28.738 -0.144 0.000 0.905 556 Q HN 0.536 nan 8.270 nan 0.000 0.420 557 R N -0.284 120.191 120.500 -0.043 0.000 2.115 557 R HA -0.166 4.174 4.340 0.000 0.000 0.239 557 R C 2.174 178.482 176.300 0.013 0.000 1.133 557 R CA 2.048 58.147 56.100 -0.001 0.000 0.935 557 R CB -0.137 30.182 30.300 0.032 0.000 0.853 557 R HN 0.177 nan 8.270 nan 0.000 0.433 558 V N 0.328 120.265 119.914 0.039 0.000 3.041 558 V HA -0.102 4.018 4.120 0.000 0.000 0.260 558 V C 2.131 178.240 176.094 0.024 0.000 1.105 558 V CA 1.446 63.783 62.300 0.062 0.000 1.125 558 V CB -0.497 31.386 31.823 0.100 0.000 0.730 558 V HN 0.301 nan 8.190 nan 0.000 0.479 559 K N 1.215 121.580 120.400 -0.058 0.000 1.984 559 K HA -0.105 4.215 4.320 0.000 0.000 0.209 559 K C 2.333 178.903 176.600 -0.051 0.000 1.046 559 K CA 1.569 57.798 56.287 -0.096 0.000 0.934 559 K CB -0.535 31.808 32.500 -0.261 0.000 0.717 559 K HN 0.385 nan 8.250 nan 0.000 0.438 560 A N 1.285 124.073 122.820 -0.054 0.000 1.869 560 A HA -0.235 4.085 4.320 0.000 0.000 0.218 560 A C 2.177 179.761 177.584 0.001 0.000 1.203 560 A CA 1.985 54.007 52.037 -0.026 0.000 0.638 560 A CB -1.021 17.966 19.000 -0.023 0.000 0.831 560 A HN 0.429 nan 8.150 nan 0.000 0.450 561 L N -0.656 120.580 121.223 0.022 0.000 2.127 561 L HA -0.160 4.180 4.340 0.000 0.000 0.211 561 L C 2.398 179.284 176.870 0.026 0.000 1.089 561 L CA 1.407 56.273 54.840 0.043 0.000 0.757 561 L CB -0.168 41.945 42.059 0.090 0.000 0.899 561 L HN 0.466 nan 8.230 nan 0.000 0.434 562 L N -1.972 119.262 121.223 0.017 0.000 2.007 562 L HA -0.205 4.135 4.340 0.000 0.000 0.205 562 L C 2.409 179.289 176.870 0.018 0.000 1.073 562 L CA 0.641 55.492 54.840 0.019 0.000 0.744 562 L CB -0.646 41.424 42.059 0.019 0.000 0.898 562 L HN 0.240 nan 8.230 nan 0.000 0.435 563 L N 0.448 121.674 121.223 0.005 0.000 1.997 563 L HA -0.348 3.992 4.340 0.000 0.000 0.227 563 L C 2.591 179.463 176.870 0.004 0.000 1.087 563 L CA 2.005 56.845 54.840 -0.001 0.000 0.797 563 L CB -1.209 40.841 42.059 -0.014 0.000 0.902 563 L HN 0.410 nan 8.230 nan 0.000 0.441 564 E N -0.456 119.747 120.200 0.006 0.000 2.209 564 E HA -0.235 4.115 4.350 0.000 0.000 0.196 564 E C 1.407 178.016 176.600 0.015 0.000 0.993 564 E CA 1.153 57.559 56.400 0.009 0.000 0.819 564 E CB 0.107 29.814 29.700 0.013 0.000 0.745 564 E HN 0.448 nan 8.360 nan 0.000 0.477 565 K N -0.054 120.358 120.400 0.021 0.000 2.437 565 K HA 0.090 4.410 4.320 0.000 0.000 0.205 565 K C 1.531 178.147 176.600 0.027 0.000 1.026 565 K CA -0.256 56.046 56.287 0.025 0.000 1.153 565 K CB 0.337 32.857 32.500 0.032 0.000 0.863 565 K HN -0.037 nan 8.250 nan 0.000 0.502 566 R N 1.775 122.288 120.500 0.023 0.000 2.153 566 R HA -0.242 4.098 4.340 0.000 0.000 0.252 566 R C 1.649 177.972 176.300 0.037 0.000 1.158 566 R CA 1.858 57.976 56.100 0.029 0.000 0.975 566 R CB 0.026 30.334 30.300 0.012 0.000 0.871 566 R HN 0.250 nan 8.270 nan 0.000 0.450 567 E N -0.445 119.768 120.200 0.022 0.000 2.118 567 E HA -0.168 4.182 4.350 0.000 0.000 0.195 567 E C 1.754 178.365 176.600 0.019 0.000 0.992 567 E CA 1.803 58.214 56.400 0.018 0.000 0.804 567 E CB 0.150 29.854 29.700 0.006 0.000 0.741 567 E HN 0.377 nan 8.360 nan 0.000 0.458 568 V N 0.877 120.799 119.914 0.014 0.000 2.667 568 V HA -0.192 3.928 4.120 0.000 0.000 0.252 568 V C 2.407 178.510 176.094 0.015 0.000 1.065 568 V CA 0.794 63.090 62.300 -0.007 0.000 1.083 568 V CB -0.527 31.286 31.823 -0.017 0.000 0.692 568 V HN 0.280 nan 8.190 nan 0.000 0.468 569 L N 0.116 121.381 121.223 0.070 0.000 1.955 569 L HA -0.201 4.139 4.340 0.000 0.000 0.213 569 L C 2.780 179.736 176.870 0.144 0.000 1.072 569 L CA 2.383 57.305 54.840 0.137 0.000 0.755 569 L CB -0.620 41.566 42.059 0.211 0.000 0.888 569 L HN 0.434 nan 8.230 nan 0.000 0.432 570 E N -0.270 120.067 120.200 0.229 0.000 2.068 570 E HA -0.358 3.992 4.350 0.000 0.000 0.207 570 E C 2.181 178.791 176.600 0.016 0.000 1.032 570 E CA 2.152 58.669 56.400 0.195 0.000 0.839 570 E CB -0.098 29.692 29.700 0.150 0.000 0.758 570 E HN 0.254 nan 8.360 nan 0.000 0.457 571 R N -0.093 120.407 120.500 0.000 0.000 2.136 571 R HA -0.232 4.108 4.340 0.000 0.000 0.242 571 R C 2.335 178.582 176.300 -0.089 0.000 1.131 571 R CA 2.326 58.397 56.100 -0.050 0.000 0.937 571 R CB -0.451 29.811 30.300 -0.063 0.000 0.863 571 R HN 0.088 nan 8.270 nan 0.000 0.435 572 V N 0.072 119.925 119.914 -0.100 0.000 2.231 572 V HA -0.179 3.941 4.120 0.000 0.000 0.240 572 V C 2.355 178.383 176.094 -0.110 0.000 1.039 572 V CA 1.889 64.127 62.300 -0.104 0.000 0.998 572 V CB -0.972 30.826 31.823 -0.041 0.000 0.639 572 V HN 0.608 nan 8.190 nan 0.000 0.451 573 A N -0.238 122.468 122.820 -0.189 0.000 1.903 573 A HA -0.294 4.026 4.320 0.000 0.000 0.219 573 A C 2.146 179.537 177.584 -0.321 0.000 1.191 573 A CA 2.182 53.989 52.037 -0.383 0.000 0.638 573 A CB -0.586 17.790 19.000 -1.040 0.000 0.823 573 A HN 0.574 nan 8.150 nan 0.000 0.451 574 E N -0.531 119.514 120.200 -0.259 0.000 2.031 574 E HA -0.136 4.214 4.350 0.000 0.000 0.193 574 E C 2.233 178.783 176.600 -0.083 0.000 0.994 574 E CA 1.791 58.112 56.400 -0.133 0.000 0.800 574 E CB -1.121 28.541 29.700 -0.063 0.000 0.752 574 E HN 0.640 nan 8.360 nan 0.000 0.447 575 T N 2.613 117.122 114.554 -0.075 0.000 2.684 575 T HA -0.146 4.204 4.350 0.000 0.000 0.267 575 T C 2.076 176.754 174.700 -0.037 0.000 1.036 575 T CA 0.878 62.948 62.100 -0.050 0.000 1.148 575 T CB -0.414 68.421 68.868 -0.054 0.000 0.863 575 T HN 0.068 nan 8.240 nan 0.000 0.436 576 L N 0.334 121.531 121.223 -0.043 0.000 1.941 576 L HA -0.195 4.145 4.340 0.000 0.000 0.224 576 L C 2.556 179.413 176.870 -0.021 0.000 1.081 576 L CA 1.671 56.498 54.840 -0.022 0.000 0.784 576 L CB -0.705 41.339 42.059 -0.024 0.000 0.894 576 L HN 0.274 nan 8.230 nan 0.000 0.436 577 L N -0.346 120.853 121.223 -0.040 0.000 2.077 577 L HA -0.411 3.929 4.340 0.000 0.000 0.231 577 L C 2.602 179.469 176.870 -0.004 0.000 1.100 577 L CA 2.291 57.122 54.840 -0.015 0.000 0.819 577 L CB -0.456 41.591 42.059 -0.020 0.000 0.913 577 L HN 0.402 nan 8.230 nan 0.000 0.446 578 E N -0.657 119.536 120.200 -0.012 0.000 2.150 578 E HA -0.213 4.137 4.350 0.000 0.000 0.193 578 E C 1.872 178.471 176.600 -0.002 0.000 0.985 578 E CA 1.149 57.545 56.400 -0.006 0.000 0.814 578 E CB 0.203 29.897 29.700 -0.010 0.000 0.752 578 E HN 0.466 nan 8.360 nan 0.000 0.466 579 R N -0.879 119.620 120.500 -0.001 0.000 2.549 579 R HA 0.098 4.438 4.340 0.000 0.000 0.361 579 R C 0.154 176.459 176.300 0.008 0.000 0.969 579 R CA 0.599 56.701 56.100 0.003 0.000 1.158 579 R CB 0.339 30.640 30.300 0.002 0.000 1.456 579 R HN -0.027 nan 8.270 nan 0.000 0.540 580 E N -0.179 120.027 120.200 0.010 0.000 4.724 580 E HA -0.197 4.153 4.350 0.000 0.000 0.169 580 E C -0.598 176.011 176.600 0.016 0.000 1.223 580 E CA 2.167 58.576 56.400 0.015 0.000 2.386 580 E CB -1.514 28.196 29.700 0.017 0.000 1.790 580 E HN 0.422 nan 8.360 nan 0.000 0.449 581 T N 1.512 116.075 114.554 0.015 0.000 2.928 581 T HA 0.666 5.016 4.350 0.000 0.000 0.296 581 T C -0.523 174.190 174.700 0.022 0.000 1.000 581 T CA -0.593 61.515 62.100 0.014 0.000 0.989 581 T CB 1.477 70.351 68.868 0.009 0.000 1.005 581 T HN 0.087 nan 8.240 nan 0.000 0.442 582 L N 2.639 123.881 121.223 0.032 0.000 2.325 582 L HA 0.508 4.848 4.340 0.000 0.000 0.281 582 L C 0.598 177.492 176.870 0.040 0.000 1.004 582 L CA -0.708 54.166 54.840 0.056 0.000 0.823 582 L CB 1.723 43.854 42.059 0.120 0.000 1.236 582 L HN 0.554 nan 8.230 nan 0.000 0.415 583 T N 1.273 115.851 114.554 0.040 0.000 2.913 583 T HA 0.190 4.540 4.350 0.000 0.000 0.297 583 T C 1.367 176.110 174.700 0.070 0.000 1.029 583 T CA 0.191 62.309 62.100 0.030 0.000 1.104 583 T CB 1.665 70.550 68.868 0.029 0.000 0.964 583 T HN 0.750 nan 8.240 nan 0.000 0.532 584 A N 1.793 124.645 122.820 0.053 0.000 1.978 584 A HA -0.116 4.204 4.320 0.000 0.000 0.220 584 A C 2.217 179.917 177.584 0.194 0.000 1.170 584 A CA 1.330 53.447 52.037 0.133 0.000 0.636 584 A CB -0.458 18.608 19.000 0.110 0.000 0.810 584 A HN 0.892 nan 8.150 nan 0.000 0.448 585 E N -0.044 120.229 120.200 0.122 0.000 2.106 585 E HA -0.185 4.165 4.350 0.000 0.000 0.192 585 E C 1.862 178.524 176.600 0.104 0.000 0.984 585 E CA 1.043 57.507 56.400 0.106 0.000 0.806 585 E CB -0.181 29.562 29.700 0.071 0.000 0.750 585 E HN 0.706 nan 8.360 nan 0.000 0.458 586 E N -0.225 120.034 120.200 0.099 0.000 2.058 586 E HA -0.200 4.150 4.350 0.000 0.000 0.194 586 E C 1.967 178.620 176.600 0.088 0.000 0.997 586 E CA 1.016 57.461 56.400 0.075 0.000 0.801 586 E CB -0.321 29.419 29.700 0.066 0.000 0.746 586 E HN 0.240 nan 8.360 nan 0.000 0.450 587 F N 1.994 121.945 119.950 0.002 0.000 2.043 587 F HA -0.320 4.207 4.527 0.000 0.000 0.297 587 F C 2.719 178.493 175.800 -0.043 0.000 1.121 587 F CA 2.173 60.173 58.000 -0.000 0.000 1.199 587 F CB -0.344 38.699 39.000 0.072 0.000 0.968 587 F HN -0.028 nan 8.300 nan 0.000 0.478 588 Q N 0.568 120.492 119.800 0.207 0.000 2.197 588 Q HA -0.277 4.064 4.340 0.000 0.000 0.211 588 Q C 2.277 178.258 176.000 -0.031 0.000 0.993 588 Q CA 2.207 58.051 55.803 0.069 0.000 0.883 588 Q CB -0.336 28.459 28.738 0.094 0.000 0.916 588 Q HN 0.436 nan 8.270 nan 0.000 0.418 589 R N -1.294 119.187 120.500 -0.031 0.000 2.060 589 R HA -0.051 4.289 4.340 0.000 0.000 0.225 589 R C 2.223 178.455 176.300 -0.113 0.000 1.155 589 R CA 1.239 57.309 56.100 -0.050 0.000 0.930 589 R CB -0.811 29.476 30.300 -0.022 0.000 0.829 589 R HN 0.300 nan 8.270 nan 0.000 0.433 590 V N 0.901 120.720 119.914 -0.159 0.000 2.527 590 V HA -0.230 3.890 4.120 0.000 0.000 0.255 590 V C 1.921 177.866 176.094 -0.249 0.000 1.081 590 V CA 1.842 64.025 62.300 -0.194 0.000 1.092 590 V CB -0.135 31.561 31.823 -0.211 0.000 0.673 590 V HN 0.209 nan 8.190 nan 0.000 0.470 591 V N 0.461 120.167 119.914 -0.347 0.000 2.270 591 V HA -0.141 3.979 4.120 0.000 0.000 0.245 591 V C 1.508 177.527 176.094 -0.125 0.000 1.043 591 V CA 2.000 64.123 62.300 -0.295 0.000 1.014 591 V CB -0.684 30.935 31.823 -0.339 0.000 0.645 591 V HN 0.739 nan 8.190 nan 0.000 0.447 592 E N 1.260 121.412 120.200 -0.081 0.000 2.346 592 E HA 0.338 4.688 4.350 0.000 0.000 0.317 592 E C 1.032 177.608 176.600 -0.041 0.000 1.404 592 E CA 0.381 56.760 56.400 -0.035 0.000 1.534 592 E CB -0.567 29.128 29.700 -0.007 0.000 1.309 592 E HN 0.459 nan 8.360 nan 0.000 0.499 593 G N 2.314 111.084 108.800 -0.051 0.000 2.263 593 G HA2 -0.260 3.700 3.960 0.000 0.000 0.266 593 G HA3 -0.260 3.700 3.960 0.000 0.000 0.266 593 G C -0.275 174.603 174.900 -0.036 0.000 0.817 593 G CA 0.610 45.684 45.100 -0.043 0.000 1.111 593 G HN 0.361 nan 8.290 nan 0.000 0.445 594 L N 0.386 121.582 121.223 -0.044 0.000 2.422 594 L HA 0.539 4.879 4.340 0.000 0.000 0.264 594 L C -2.157 174.692 176.870 -0.036 0.000 0.984 594 L CA -2.248 52.573 54.840 -0.032 0.000 0.819 594 L CB 2.794 44.839 42.059 -0.024 0.000 1.330 594 L HN -0.030 nan 8.230 nan 0.000 0.410 595 P HA 0.354 nan 4.420 nan 0.000 0.276 595 P C -1.514 175.775 177.300 -0.018 0.000 1.252 595 P CA -0.492 62.594 63.100 -0.024 0.000 0.802 595 P CB 0.883 32.572 31.700 -0.017 0.000 1.035 596 L N 1.291 122.505 121.223 -0.015 0.000 2.680 596 L HA 0.248 4.588 4.340 0.000 0.000 0.260 596 L C -0.683 176.184 176.870 -0.004 0.000 0.975 596 L CA -0.509 54.328 54.840 -0.007 0.000 0.920 596 L CB 1.252 43.310 42.059 -0.002 0.000 1.234 596 L HN 0.551 nan 8.230 nan 0.000 0.429 597 E N 3.072 123.270 120.200 -0.003 0.000 2.283 597 E HA 0.736 5.086 4.350 0.000 0.000 0.267 597 E C -0.168 176.433 176.600 0.001 0.000 1.045 597 E CA -0.768 55.631 56.400 -0.002 0.000 0.884 597 E CB 1.512 31.210 29.700 -0.003 0.000 1.106 597 E HN 0.589 nan 8.360 nan 0.000 0.408 598 A N 2.295 125.116 122.820 0.002 0.000 2.309 598 A HA 0.394 4.714 4.320 0.000 0.000 0.298 598 A C -1.525 176.061 177.584 0.003 0.000 1.165 598 A CA -1.165 50.874 52.037 0.004 0.000 0.821 598 A CB -0.032 18.970 19.000 0.004 0.000 1.102 598 A HN 0.736 nan 8.150 nan 0.000 0.500 599 P HA 0.330 nan 4.420 nan 0.000 0.217 599 P C 0.726 178.028 177.300 0.003 0.000 1.154 599 P CA 1.321 64.423 63.100 0.004 0.000 0.841 599 P CB -0.222 31.481 31.700 0.005 0.000 0.790 600 E N 0.000 120.202 120.200 0.004 0.000 2.725 600 E HA 0.000 4.350 4.350 0.000 0.000 0.291 600 E CA 0.000 56.402 56.400 0.003 0.000 0.976 600 E CB 0.000 29.701 29.700 0.002 0.000 0.812 600 E HN 0.000 nan 8.360 nan 0.000 0.440