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 2ihm_1_B DATA FIRST_RESID 137 DATA SEQUENCE SMPAYACQRP SPLTHHNTLL SEALETLAEA AGFEANEGRL LSFSRAASVL DATA SEQUENCE KSLPCPVASL SQLHGLPYFG EHSTRVIQEL LEHGTCEEVK QVRCSERYQT DATA SEQUENCE MKLFTQVFGV GVKTANRWYQ EGLRTLDELR EQPQRLTQQQ KAGLQYYQDL DATA SEQUENCE STPVRRADAE ALQQLIEAAV RQTLPGATVT LTGGFRRGKL QGHDVDFLIT DATA SEQUENCE HPEEGQEVGL LPKVMSCLQS QGLVLYHQYX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE FERSFCILGL PQPQQAXXXG ALPPCPTWKA VRVDLVVTPS SQFPFALLGW DATA SEQUENCE TGSQFFEREL RRFSRQEKGL WLNSHGLFDP EQKRVFHATS EEDVFRLLGL DATA SEQUENCE KYLPPEQRNA 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 137 S HA 0.000 nan 4.470 nan 0.000 0.327 137 S C 0.000 174.620 174.600 0.033 0.000 1.055 137 S CA 0.000 58.215 58.200 0.025 0.000 1.107 137 S CB 0.000 63.215 63.200 0.025 0.000 0.593 138 M N 3.907 123.528 119.600 0.035 0.000 2.103 138 M HA 0.518 4.998 4.480 0.001 0.000 0.350 138 M C -2.567 173.769 176.300 0.060 0.000 1.100 138 M CA -1.792 53.539 55.300 0.052 0.000 1.042 138 M CB 0.639 33.277 32.600 0.064 0.000 1.368 138 M HN 0.239 nan 8.290 nan 0.000 0.404 139 P HA 0.013 nan 4.420 nan 0.000 0.264 139 P C 0.011 177.381 177.300 0.117 0.000 1.179 139 P CA 0.250 63.402 63.100 0.087 0.000 0.763 139 P CB 0.484 32.227 31.700 0.072 0.000 0.806 140 A N 2.662 125.569 122.820 0.146 0.000 1.968 140 A HA -0.078 4.243 4.320 0.001 0.000 0.217 140 A C 0.591 178.222 177.584 0.079 0.000 1.169 140 A CA 1.058 53.171 52.037 0.126 0.000 0.638 140 A CB -0.838 18.173 19.000 0.019 0.000 0.812 140 A HN 0.584 nan 8.150 nan 0.000 0.446 141 Y N -1.698 118.633 120.300 0.053 0.000 2.323 141 Y HA 0.512 5.063 4.550 0.001 0.000 0.331 141 Y C 1.364 177.208 175.900 -0.094 0.000 1.092 141 Y CA -0.559 57.507 58.100 -0.058 0.000 1.150 141 Y CB 1.262 39.617 38.460 -0.174 0.000 1.200 141 Y HN 0.101 nan 8.280 nan 0.000 0.472 142 A N 0.949 123.782 122.820 0.022 0.000 2.125 142 A HA -0.165 4.156 4.320 0.001 0.000 0.219 142 A C 1.791 179.406 177.584 0.052 0.000 1.156 142 A CA 1.497 53.580 52.037 0.077 0.000 0.671 142 A CB -1.224 17.861 19.000 0.140 0.000 0.794 142 A HN 1.001 nan 8.150 nan 0.000 0.459 143 C N -2.245 116.950 119.300 -0.174 0.000 2.576 143 C HA 0.223 4.684 4.460 0.001 0.000 0.267 143 C C 1.732 176.630 174.990 -0.153 0.000 1.364 143 C CA 0.248 59.102 59.018 -0.274 0.000 1.723 143 C CB -1.483 25.868 27.740 -0.649 0.000 1.778 143 C HN 0.614 nan 8.230 nan 0.000 0.572 144 Q N 1.037 120.759 119.800 -0.131 0.000 2.282 144 Q HA 0.211 4.551 4.340 0.001 0.000 0.206 144 Q C 0.567 176.571 176.000 0.005 0.000 0.878 144 Q CA 0.103 55.839 55.803 -0.112 0.000 0.944 144 Q CB 0.407 29.058 28.738 -0.144 0.000 1.100 144 Q HN 0.815 nan 8.270 nan 0.000 0.509 145 R N -0.614 119.920 120.500 0.057 0.000 2.710 145 R HA 0.498 4.838 4.340 0.001 0.000 0.270 145 R C -3.454 172.896 176.300 0.083 0.000 1.021 145 R CA -2.073 54.066 56.100 0.065 0.000 0.889 145 R CB 0.675 31.015 30.300 0.067 0.000 1.243 145 R HN -0.275 nan 8.270 nan 0.000 0.464 146 P HA 0.193 nan 4.420 nan 0.000 0.271 146 P C -0.860 176.462 177.300 0.037 0.000 1.218 146 P CA -0.297 62.819 63.100 0.027 0.000 0.780 146 P CB 0.784 32.490 31.700 0.010 0.000 0.901 147 S N 2.734 118.441 115.700 0.011 0.000 2.216 147 S HA 0.282 4.753 4.470 0.001 0.000 0.156 147 S C -2.548 172.045 174.600 -0.011 0.000 1.665 147 S CA -1.018 57.190 58.200 0.013 0.000 1.262 147 S CB 0.551 63.774 63.200 0.039 0.000 1.207 147 S HN 0.399 nan 8.310 nan 0.000 0.427 148 P HA 0.080 nan 4.420 nan 0.000 0.269 148 P C 1.078 178.386 177.300 0.012 0.000 1.215 148 P CA -0.541 62.556 63.100 -0.004 0.000 0.780 148 P CB 0.762 32.464 31.700 0.004 0.000 0.898 149 L N 2.263 123.476 121.223 -0.016 0.000 2.129 149 L HA -0.080 4.261 4.340 0.001 0.000 0.212 149 L C 0.599 177.453 176.870 -0.028 0.000 1.087 149 L CA 2.229 57.057 54.840 -0.020 0.000 0.757 149 L CB -0.919 41.121 42.059 -0.032 0.000 0.896 149 L HN 0.360 nan 8.230 nan 0.000 0.434 150 T N -0.351 114.170 114.554 -0.054 0.000 2.848 150 T HA 0.566 4.916 4.350 0.001 0.000 0.285 150 T C -0.874 173.727 174.700 -0.164 0.000 0.995 150 T CA -0.243 61.768 62.100 -0.148 0.000 0.970 150 T CB 1.227 70.007 68.868 -0.148 0.000 0.976 150 T HN 0.568 nan 8.240 nan 0.000 0.441 151 H N -0.372 118.568 119.070 -0.216 0.000 3.218 151 H HA 0.570 5.126 4.556 0.001 0.000 0.303 151 H C 0.060 175.104 175.328 -0.474 0.000 1.605 151 H CA -0.904 54.948 56.048 -0.327 0.000 1.298 151 H CB 0.726 30.416 29.762 -0.120 0.000 1.856 151 H HN 0.489 nan 8.280 nan 0.000 0.656 152 H N -0.538 118.659 119.070 0.212 0.000 2.594 152 H HA 0.308 4.864 4.556 0.001 0.000 0.279 152 H C -0.291 175.126 175.328 0.149 0.000 1.042 152 H CA -0.092 56.022 56.048 0.110 0.000 1.177 152 H CB 0.268 30.076 29.762 0.078 0.000 1.524 152 H HN 0.505 nan 8.280 nan 0.000 0.537 153 N N 0.895 119.841 118.700 0.410 0.000 2.646 153 N HA 0.043 4.783 4.740 0.001 0.000 0.303 153 N C 0.582 176.267 175.510 0.292 0.000 1.921 153 N CA 0.079 53.296 53.050 0.278 0.000 0.872 153 N CB 1.098 39.712 38.487 0.212 0.000 1.327 153 N HN 0.056 nan 8.380 nan 0.000 0.492 154 T N 0.609 115.214 114.554 0.085 0.000 2.635 154 T HA -0.095 4.256 4.350 0.001 0.000 0.267 154 T C 2.140 176.871 174.700 0.051 0.000 1.040 154 T CA 1.026 63.134 62.100 0.013 0.000 1.156 154 T CB 0.081 68.870 68.868 -0.131 0.000 0.863 154 T HN 0.258 nan 8.240 nan 0.000 0.430 155 L N 0.279 121.520 121.223 0.030 0.000 2.017 155 L HA -0.070 4.271 4.340 0.001 0.000 0.208 155 L C 2.616 179.503 176.870 0.029 0.000 1.073 155 L CA 1.209 56.061 54.840 0.020 0.000 0.745 155 L CB -0.659 41.408 42.059 0.013 0.000 0.894 155 L HN 0.254 nan 8.230 nan 0.000 0.432 156 L N -1.240 120.014 121.223 0.050 0.000 1.994 156 L HA -0.235 4.105 4.340 0.001 0.000 0.208 156 L C 2.841 179.742 176.870 0.052 0.000 1.071 156 L CA 1.413 56.285 54.840 0.053 0.000 0.745 156 L CB -0.722 41.378 42.059 0.068 0.000 0.892 156 L HN 0.227 nan 8.230 nan 0.000 0.431 157 S N -0.296 115.452 115.700 0.079 0.000 2.374 157 S HA -0.232 4.239 4.470 0.001 0.000 0.227 157 S C 1.835 176.435 174.600 -0.000 0.000 1.037 157 S CA 1.711 59.940 58.200 0.048 0.000 1.024 157 S CB -0.169 63.096 63.200 0.108 0.000 0.861 157 S HN 0.438 nan 8.310 nan 0.000 0.456 158 E N 0.725 120.929 120.200 0.007 0.000 2.110 158 E HA -0.097 4.254 4.350 0.001 0.000 0.193 158 E C 2.402 178.957 176.600 -0.074 0.000 0.988 158 E CA 0.910 57.291 56.400 -0.032 0.000 0.804 158 E CB -0.318 29.370 29.700 -0.021 0.000 0.745 158 E HN 0.607 nan 8.360 nan 0.000 0.458 159 A N 1.680 124.461 122.820 -0.065 0.000 1.865 159 A HA -0.204 4.117 4.320 0.001 0.000 0.217 159 A C 2.247 179.718 177.584 -0.187 0.000 1.191 159 A CA 1.310 53.284 52.037 -0.106 0.000 0.623 159 A CB -0.798 18.165 19.000 -0.061 0.000 0.826 159 A HN 0.141 nan 8.150 nan 0.000 0.444 160 L N -0.772 120.358 121.223 -0.154 0.000 2.083 160 L HA -0.200 4.141 4.340 0.001 0.000 0.209 160 L C 2.594 179.294 176.870 -0.283 0.000 1.083 160 L CA 1.590 56.291 54.840 -0.231 0.000 0.752 160 L CB -0.716 41.296 42.059 -0.078 0.000 0.899 160 L HN 0.493 nan 8.230 nan 0.000 0.433 161 E N -0.505 119.579 120.200 -0.193 0.000 2.153 161 E HA -0.169 4.181 4.350 0.001 0.000 0.194 161 E C 2.103 178.575 176.600 -0.214 0.000 0.988 161 E CA 1.566 57.854 56.400 -0.185 0.000 0.811 161 E CB -0.114 29.506 29.700 -0.133 0.000 0.746 161 E HN 0.448 nan 8.360 nan 0.000 0.466 162 T N 1.600 116.018 114.554 -0.226 0.000 2.737 162 T HA -0.083 4.267 4.350 0.001 0.000 0.265 162 T C 1.963 176.450 174.700 -0.354 0.000 1.038 162 T CA 0.711 62.666 62.100 -0.241 0.000 1.144 162 T CB -0.142 68.577 68.868 -0.248 0.000 0.866 162 T HN 0.090 nan 8.240 nan 0.000 0.434 163 L N 0.725 121.646 121.223 -0.503 0.000 2.131 163 L HA -0.107 4.233 4.340 0.001 0.000 0.210 163 L C 2.994 179.518 176.870 -0.577 0.000 1.092 163 L CA 1.086 55.494 54.840 -0.719 0.000 0.759 163 L CB -0.685 40.560 42.059 -1.357 0.000 0.903 163 L HN 0.250 nan 8.230 nan 0.000 0.435 164 A N 0.164 122.729 122.820 -0.425 0.000 1.858 164 A HA -0.281 4.039 4.320 0.001 0.000 0.216 164 A C 2.276 179.756 177.584 -0.173 0.000 1.190 164 A CA 1.986 53.951 52.037 -0.120 0.000 0.617 164 A CB -0.581 18.352 19.000 -0.112 0.000 0.827 164 A HN 0.483 nan 8.150 nan 0.000 0.443 165 E N -0.185 119.860 120.200 -0.258 0.000 2.110 165 E HA -0.098 4.252 4.350 0.001 0.000 0.193 165 E C 2.053 178.332 176.600 -0.535 0.000 0.988 165 E CA 1.020 57.169 56.400 -0.418 0.000 0.804 165 E CB -0.264 29.220 29.700 -0.361 0.000 0.745 165 E HN 0.526 nan 8.360 nan 0.000 0.458 166 A N 1.271 123.948 122.820 -0.239 0.000 1.902 166 A HA -0.087 4.234 4.320 0.001 0.000 0.217 166 A C 2.428 180.009 177.584 -0.005 0.000 1.181 166 A CA 1.771 53.788 52.037 -0.034 0.000 0.623 166 A CB -0.835 18.095 19.000 -0.116 0.000 0.818 166 A HN 0.426 nan 8.150 nan 0.000 0.443 167 A N -0.421 122.378 122.820 -0.035 0.000 1.877 167 A HA 0.107 4.428 4.320 0.001 0.000 0.216 167 A C 2.451 180.045 177.584 0.016 0.000 1.186 167 A CA 1.994 54.054 52.037 0.039 0.000 0.620 167 A CB -1.491 17.578 19.000 0.115 0.000 0.822 167 A HN 0.770 nan 8.150 nan 0.000 0.443 168 G N -1.030 107.729 108.800 -0.067 0.000 2.440 168 G HA2 -0.212 3.749 3.960 0.001 0.000 0.218 168 G HA3 -0.212 3.749 3.960 0.001 0.000 0.218 168 G C 1.251 176.199 174.900 0.080 0.000 1.154 168 G CA 1.150 46.217 45.100 -0.055 0.000 0.767 168 G HN 0.383 nan 8.290 nan 0.000 0.552 169 F N 1.255 121.207 119.950 0.002 0.000 2.333 169 F HA 0.066 4.593 4.527 0.001 0.000 0.300 169 F C 2.069 177.854 175.800 -0.026 0.000 1.083 169 F CA 0.489 58.475 58.000 -0.022 0.000 1.395 169 F CB -0.030 38.956 39.000 -0.024 0.000 1.056 169 F HN 0.167 nan 8.300 nan 0.000 0.529 170 E N -0.376 119.930 120.200 0.177 0.000 2.451 170 E HA 0.369 4.719 4.350 0.001 0.000 0.194 170 E C 1.306 177.948 176.600 0.070 0.000 1.027 170 E CA 0.413 56.873 56.400 0.100 0.000 0.914 170 E CB -0.326 29.426 29.700 0.086 0.000 1.054 170 E HN 0.143 nan 8.360 nan 0.000 0.461 171 A N 1.648 124.510 122.820 0.071 0.000 2.872 171 A HA -0.222 4.098 4.320 0.001 0.000 0.273 171 A C 0.274 177.875 177.584 0.028 0.000 1.442 171 A CA 0.841 52.904 52.037 0.043 0.000 0.801 171 A CB -2.203 16.817 19.000 0.033 0.000 1.031 171 A HN 0.235 nan 8.150 nan 0.000 0.582 172 N N 0.222 118.939 118.700 0.028 0.000 2.816 172 N HA 0.245 4.985 4.740 0.001 0.000 0.236 172 N C 0.772 176.280 175.510 -0.003 0.000 1.076 172 N CA -0.353 52.704 53.050 0.012 0.000 0.902 172 N CB 0.577 39.075 38.487 0.019 0.000 1.149 172 N HN 0.380 nan 8.380 nan 0.000 0.506 173 E N 1.113 121.305 120.200 -0.013 0.000 2.268 173 E HA -0.063 4.287 4.350 0.001 0.000 0.195 173 E C 1.534 178.107 176.600 -0.046 0.000 0.995 173 E CA 0.468 56.852 56.400 -0.027 0.000 0.836 173 E CB 0.124 29.809 29.700 -0.025 0.000 0.763 173 E HN 0.672 nan 8.360 nan 0.000 0.491 174 G N 1.136 109.905 108.800 -0.051 0.000 2.403 174 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 174 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 174 G C 1.723 176.551 174.900 -0.121 0.000 1.154 174 G CA 0.104 45.158 45.100 -0.076 0.000 0.784 174 G HN 0.161 nan 8.290 nan 0.000 0.538 175 R N -0.354 120.080 120.500 -0.109 0.000 2.073 175 R HA 0.149 4.490 4.340 0.001 0.000 0.229 175 R C 2.532 178.756 176.300 -0.127 0.000 1.120 175 R CA 0.828 56.817 56.100 -0.185 0.000 0.967 175 R CB -0.506 29.755 30.300 -0.066 0.000 0.862 175 R HN 0.382 nan 8.270 nan 0.000 0.436 176 L N 1.101 122.310 121.223 -0.022 0.000 2.083 176 L HA -0.171 4.170 4.340 0.001 0.000 0.209 176 L C 2.168 179.000 176.870 -0.063 0.000 1.083 176 L CA 1.094 55.937 54.840 0.004 0.000 0.752 176 L CB -0.159 41.878 42.059 -0.036 0.000 0.899 176 L HN 0.162 nan 8.230 nan 0.000 0.433 177 L N -0.786 120.377 121.223 -0.099 0.000 2.056 177 L HA -0.145 4.196 4.340 0.001 0.000 0.207 177 L C 2.476 179.223 176.870 -0.205 0.000 1.078 177 L CA 1.997 56.769 54.840 -0.114 0.000 0.749 177 L CB -0.587 41.421 42.059 -0.084 0.000 0.901 177 L HN 0.201 nan 8.230 nan 0.000 0.433 178 S N -0.764 114.775 115.700 -0.268 0.000 2.355 178 S HA -0.105 4.366 4.470 0.001 0.000 0.222 178 S C 1.764 176.139 174.600 -0.375 0.000 1.031 178 S CA 1.301 59.287 58.200 -0.356 0.000 0.993 178 S CB -0.478 62.476 63.200 -0.410 0.000 0.859 178 S HN 0.408 nan 8.310 nan 0.000 0.453 179 F N 2.221 122.007 119.950 -0.273 0.000 2.126 179 F HA -0.094 4.433 4.527 0.001 0.000 0.299 179 F C 2.768 178.351 175.800 -0.361 0.000 1.096 179 F CA 0.754 58.575 58.000 -0.299 0.000 1.255 179 F CB -1.085 37.757 39.000 -0.264 0.000 0.997 179 F HN 0.104 nan 8.300 nan 0.000 0.479 180 S N -0.381 115.188 115.700 -0.218 0.000 2.356 180 S HA -0.177 4.293 4.470 0.001 0.000 0.223 180 S C 2.130 176.265 174.600 -0.775 0.000 1.032 180 S CA 1.113 59.017 58.200 -0.493 0.000 1.005 180 S CB -0.240 62.638 63.200 -0.536 0.000 0.867 180 S HN 0.307 nan 8.310 nan 0.000 0.449 181 R N 0.925 121.030 120.500 -0.658 0.000 2.081 181 R HA -0.031 4.310 4.340 0.001 0.000 0.235 181 R C 2.591 178.623 176.300 -0.448 0.000 1.131 181 R CA 1.289 57.032 56.100 -0.595 0.000 0.960 181 R CB -0.503 29.360 30.300 -0.729 0.000 0.856 181 R HN 0.405 nan 8.270 nan 0.000 0.436 182 A N 1.143 123.693 122.820 -0.450 0.000 1.902 182 A HA -0.113 4.208 4.320 0.001 0.000 0.217 182 A C 2.348 179.735 177.584 -0.327 0.000 1.181 182 A CA 1.677 53.358 52.037 -0.593 0.000 0.623 182 A CB -0.612 17.946 19.000 -0.736 0.000 0.818 182 A HN 0.408 nan 8.150 nan 0.000 0.443 183 A N -0.989 121.675 122.820 -0.260 0.000 1.972 183 A HA -0.083 4.237 4.320 0.001 0.000 0.219 183 A C 2.434 179.902 177.584 -0.193 0.000 1.169 183 A CA 2.087 54.018 52.037 -0.176 0.000 0.635 183 A CB -0.742 18.134 19.000 -0.206 0.000 0.810 183 A HN 0.535 nan 8.150 nan 0.000 0.446 184 S N -0.942 114.596 115.700 -0.269 0.000 2.414 184 S HA -0.065 4.406 4.470 0.001 0.000 0.227 184 S C 1.875 176.443 174.600 -0.052 0.000 1.022 184 S CA 1.187 59.284 58.200 -0.171 0.000 0.958 184 S CB -0.399 62.708 63.200 -0.154 0.000 0.797 184 S HN 0.277 nan 8.310 nan 0.000 0.493 185 V N 2.513 122.422 119.914 -0.009 0.000 2.255 185 V HA -0.187 3.933 4.120 0.001 0.000 0.247 185 V C 2.379 178.526 176.094 0.088 0.000 1.051 185 V CA 2.019 64.382 62.300 0.105 0.000 1.018 185 V CB -0.711 31.253 31.823 0.235 0.000 0.641 185 V HN 0.495 nan 8.190 nan 0.000 0.445 186 L N -0.491 120.790 121.223 0.096 0.000 2.013 186 L HA -0.266 4.074 4.340 0.001 0.000 0.212 186 L C 2.548 179.317 176.870 -0.167 0.000 1.073 186 L CA 1.918 56.776 54.840 0.030 0.000 0.753 186 L CB -0.807 41.286 42.059 0.058 0.000 0.890 186 L HN 0.300 nan 8.230 nan 0.000 0.432 187 K N -0.017 120.167 120.400 -0.359 0.000 2.211 187 K HA -0.138 4.183 4.320 0.001 0.000 0.204 187 K C 1.970 178.411 176.600 -0.265 0.000 1.047 187 K CA 1.652 57.514 56.287 -0.707 0.000 0.935 187 K CB -0.153 32.067 32.500 -0.468 0.000 0.728 187 K HN 0.420 nan 8.250 nan 0.000 0.452 188 S N -0.018 115.631 115.700 -0.084 0.000 2.540 188 S HA 0.169 4.639 4.470 0.001 0.000 0.218 188 S C 0.532 175.166 174.600 0.057 0.000 0.977 188 S CA -0.527 57.680 58.200 0.013 0.000 0.918 188 S CB -0.081 63.144 63.200 0.042 0.000 0.806 188 S HN 0.043 nan 8.310 nan 0.000 0.496 189 L N 2.839 124.101 121.223 0.064 0.000 2.426 189 L HA 0.283 4.623 4.340 0.001 0.000 0.271 189 L C -0.993 175.972 176.870 0.158 0.000 1.169 189 L CA -1.646 53.248 54.840 0.091 0.000 0.836 189 L CB 0.638 42.745 42.059 0.079 0.000 1.112 189 L HN 0.080 nan 8.230 nan 0.000 0.465 190 P HA -0.013 nan 4.420 nan 0.000 0.237 190 P C -0.132 177.091 177.300 -0.127 0.000 1.178 190 P CA 0.310 63.458 63.100 0.080 0.000 0.766 190 P CB 0.075 31.788 31.700 0.021 0.000 0.876 191 C N -4.387 114.850 119.300 -0.106 0.000 3.332 191 C HA 0.713 5.174 4.460 0.001 0.000 0.329 191 C C -3.154 171.823 174.990 -0.021 0.000 1.434 191 C CA -2.791 56.054 59.018 -0.289 0.000 1.314 191 C CB 1.017 28.635 27.740 -0.203 0.000 1.664 191 C HN -0.145 nan 8.230 nan 0.000 0.457 192 P HA 0.291 nan 4.420 nan 0.000 0.271 192 P C -0.625 176.687 177.300 0.021 0.000 1.218 192 P CA -0.025 63.113 63.100 0.064 0.000 0.780 192 P CB 0.477 32.206 31.700 0.048 0.000 0.901 193 V N 2.809 122.737 119.914 0.025 0.000 2.432 193 V HA 0.325 4.445 4.120 0.001 0.000 0.271 193 V C 1.076 177.161 176.094 -0.016 0.000 1.046 193 V CA 0.637 62.930 62.300 -0.012 0.000 0.945 193 V CB 0.383 32.187 31.823 -0.031 0.000 0.992 193 V HN 0.739 nan 8.190 nan 0.000 0.471 194 A N 3.745 126.550 122.820 -0.026 0.000 2.138 194 A HA 0.726 5.047 4.320 0.001 0.000 0.203 194 A C 1.157 178.719 177.584 -0.037 0.000 1.286 194 A CA 0.813 52.834 52.037 -0.027 0.000 0.929 194 A CB 0.135 19.120 19.000 -0.024 0.000 0.975 194 A HN 0.925 nan 8.150 nan 0.000 0.480 195 S N -0.855 114.820 115.700 -0.043 0.000 2.548 195 S HA 0.612 5.083 4.470 0.001 0.000 0.286 195 S C 0.340 174.905 174.600 -0.059 0.000 1.098 195 S CA -0.539 57.632 58.200 -0.048 0.000 0.930 195 S CB 0.829 64.004 63.200 -0.042 0.000 1.070 195 S HN 0.335 nan 8.310 nan 0.000 0.480 196 L N 2.380 123.568 121.223 -0.058 0.000 2.349 196 L HA -0.071 4.270 4.340 0.001 0.000 0.220 196 L C 2.521 179.354 176.870 -0.061 0.000 1.130 196 L CA 2.540 57.340 54.840 -0.067 0.000 0.791 196 L CB -0.550 41.481 42.059 -0.047 0.000 0.918 196 L HN 0.868 nan 8.230 nan 0.000 0.444 197 S N -2.105 113.567 115.700 -0.048 0.000 2.481 197 S HA -0.186 4.285 4.470 0.001 0.000 0.231 197 S C 1.708 176.296 174.600 -0.020 0.000 0.996 197 S CA 0.695 58.874 58.200 -0.035 0.000 0.942 197 S CB -0.439 62.733 63.200 -0.048 0.000 0.768 197 S HN 0.650 nan 8.310 nan 0.000 0.520 198 Q N 0.214 119.985 119.800 -0.047 0.000 2.472 198 Q HA 0.278 4.619 4.340 0.001 0.000 0.208 198 Q C 1.619 177.571 176.000 -0.081 0.000 0.958 198 Q CA 0.452 56.226 55.803 -0.048 0.000 0.932 198 Q CB -0.210 28.494 28.738 -0.057 0.000 1.007 198 Q HN 0.593 nan 8.270 nan 0.000 0.508 199 L N -0.562 120.586 121.223 -0.124 0.000 2.375 199 L HA 0.025 4.365 4.340 0.001 0.000 0.215 199 L C 1.230 178.061 176.870 -0.066 0.000 1.108 199 L CA -0.035 54.669 54.840 -0.226 0.000 0.830 199 L CB -0.143 41.675 42.059 -0.403 0.000 0.959 199 L HN 0.329 nan 8.230 nan 0.000 0.457 200 H N 0.993 120.017 119.070 -0.078 0.000 3.091 200 H HA 0.124 4.681 4.556 0.001 0.000 0.289 200 H C 0.864 176.179 175.328 -0.021 0.000 0.995 200 H CA 1.328 57.354 56.048 -0.036 0.000 1.461 200 H CB 0.758 30.501 29.762 -0.032 0.000 1.510 200 H HN 0.337 nan 8.280 nan 0.000 0.546 201 G N 4.647 113.213 108.800 -0.388 0.000 2.307 201 G HA2 -0.206 3.755 3.960 0.001 0.000 0.210 201 G HA3 -0.206 3.755 3.960 0.001 0.000 0.210 201 G C 0.195 175.035 174.900 -0.100 0.000 1.005 201 G CA 0.025 44.981 45.100 -0.239 0.000 0.634 201 G HN 0.575 nan 8.290 nan 0.000 0.496 202 L N 3.005 124.208 121.223 -0.034 0.000 2.395 202 L HA 0.500 4.840 4.340 0.001 0.000 0.269 202 L C -1.438 175.477 176.870 0.074 0.000 1.133 202 L CA -1.740 53.140 54.840 0.068 0.000 0.812 202 L CB 0.662 42.819 42.059 0.162 0.000 1.125 202 L HN 0.109 nan 8.230 nan 0.000 0.452 203 P HA 0.239 nan 4.420 nan 0.000 0.285 203 P C -0.985 176.259 177.300 -0.094 0.000 1.269 203 P CA -0.372 62.618 63.100 -0.183 0.000 0.844 203 P CB 1.032 32.501 31.700 -0.385 0.000 1.094 204 Y N -2.770 117.479 120.300 -0.086 0.000 4.729 204 Y HA -0.194 4.356 4.550 0.001 0.000 0.239 204 Y C -0.029 175.648 175.900 -0.373 0.000 1.043 204 Y CA 0.376 58.344 58.100 -0.220 0.000 2.045 204 Y CB -3.231 35.066 38.460 -0.272 0.000 1.599 204 Y HN 0.193 nan 8.280 nan 0.000 0.655 205 F N 1.036 121.008 119.950 0.037 0.000 2.359 205 F HA 0.596 5.123 4.527 0.001 0.000 0.355 205 F C 1.331 177.139 175.800 0.013 0.000 1.132 205 F CA -0.510 57.508 58.000 0.030 0.000 1.246 205 F CB 0.174 39.187 39.000 0.021 0.000 1.569 205 F HN 0.109 nan 8.300 nan 0.000 0.561 206 G N 1.679 110.526 108.800 0.077 0.000 2.479 206 G HA2 0.057 4.018 3.960 0.001 0.000 0.275 206 G HA3 0.057 4.018 3.960 0.001 0.000 0.275 206 G C 0.918 175.894 174.900 0.126 0.000 1.421 206 G CA 0.005 45.145 45.100 0.067 0.000 1.059 206 G HN 0.602 nan 8.290 nan 0.000 0.535 207 E N -2.171 118.091 120.200 0.103 0.000 2.299 207 E HA -0.049 4.301 4.350 0.001 0.000 0.193 207 E C 1.763 178.464 176.600 0.170 0.000 0.998 207 E CA 1.501 57.969 56.400 0.113 0.000 0.851 207 E CB -0.376 29.363 29.700 0.065 0.000 0.795 207 E HN 0.774 nan 8.360 nan 0.000 0.492 208 H N -0.177 118.936 119.070 0.070 0.000 2.372 208 H HA 0.097 4.654 4.556 0.001 0.000 0.301 208 H C 1.407 176.845 175.328 0.184 0.000 1.065 208 H CA 1.220 57.336 56.048 0.112 0.000 1.364 208 H CB 0.331 30.155 29.762 0.103 0.000 1.406 208 H HN 0.185 nan 8.280 nan 0.000 0.521 209 S N -0.440 115.453 115.700 0.321 0.000 2.383 209 S HA -0.131 4.340 4.470 0.001 0.000 0.227 209 S C 2.048 176.871 174.600 0.371 0.000 1.026 209 S CA 1.486 59.880 58.200 0.324 0.000 0.981 209 S CB -0.189 63.128 63.200 0.194 0.000 0.818 209 S HN 0.487 nan 8.310 nan 0.000 0.472 210 T N 1.880 116.638 114.554 0.341 0.000 2.746 210 T HA -0.100 4.250 4.350 0.001 0.000 0.267 210 T C 1.859 176.649 174.700 0.150 0.000 1.039 210 T CA 1.245 63.476 62.100 0.219 0.000 1.142 210 T CB -0.185 68.778 68.868 0.158 0.000 0.866 210 T HN 0.366 nan 8.240 nan 0.000 0.444 211 R N 0.718 121.318 120.500 0.167 0.000 2.083 211 R HA -0.096 4.244 4.340 0.001 0.000 0.237 211 R C 2.304 178.681 176.300 0.130 0.000 1.137 211 R CA 1.424 57.598 56.100 0.125 0.000 0.951 211 R CB -0.596 29.769 30.300 0.107 0.000 0.851 211 R HN 0.230 nan 8.270 nan 0.000 0.434 212 V N 1.419 121.444 119.914 0.185 0.000 2.343 212 V HA -0.260 3.861 4.120 0.001 0.000 0.247 212 V C 2.431 178.585 176.094 0.100 0.000 1.051 212 V CA 1.402 63.786 62.300 0.141 0.000 1.036 212 V CB -0.449 31.461 31.823 0.145 0.000 0.654 212 V HN 0.340 nan 8.190 nan 0.000 0.451 213 I N 0.018 120.656 120.570 0.113 0.000 2.179 213 I HA -0.259 3.911 4.170 0.001 0.000 0.242 213 I C 2.581 178.716 176.117 0.030 0.000 1.088 213 I CA 1.727 63.066 61.300 0.065 0.000 1.357 213 I CB -1.266 36.755 38.000 0.035 0.000 1.051 213 I HN 0.459 nan 8.210 nan 0.000 0.409 214 Q N 0.794 120.613 119.800 0.031 0.000 2.124 214 Q HA -0.261 4.079 4.340 0.001 0.000 0.202 214 Q C 2.145 178.154 176.000 0.015 0.000 0.977 214 Q CA 1.877 57.685 55.803 0.009 0.000 0.850 214 Q CB 0.006 28.752 28.738 0.014 0.000 0.901 214 Q HN 0.556 nan 8.270 nan 0.000 0.429 215 E N 0.008 120.242 120.200 0.057 0.000 2.077 215 E HA -0.186 4.165 4.350 0.001 0.000 0.193 215 E C 2.209 178.859 176.600 0.083 0.000 0.989 215 E CA 0.972 57.435 56.400 0.105 0.000 0.800 215 E CB -0.079 29.691 29.700 0.117 0.000 0.746 215 E HN 0.388 nan 8.360 nan 0.000 0.452 216 L N 0.570 121.824 121.223 0.051 0.000 2.046 216 L HA -0.209 4.131 4.340 0.001 0.000 0.208 216 L C 2.560 179.432 176.870 0.002 0.000 1.077 216 L CA 0.921 55.782 54.840 0.035 0.000 0.747 216 L CB -0.348 41.728 42.059 0.027 0.000 0.896 216 L HN 0.258 nan 8.230 nan 0.000 0.432 217 L N -0.550 120.662 121.223 -0.018 0.000 2.131 217 L HA -0.207 4.134 4.340 0.001 0.000 0.210 217 L C 2.552 179.366 176.870 -0.093 0.000 1.092 217 L CA 1.002 55.815 54.840 -0.044 0.000 0.759 217 L CB -0.361 41.671 42.059 -0.046 0.000 0.903 217 L HN 0.309 nan 8.230 nan 0.000 0.435 218 E N -0.415 119.692 120.200 -0.156 0.000 2.042 218 E HA -0.136 4.215 4.350 0.001 0.000 0.189 218 E C 1.816 178.124 176.600 -0.486 0.000 0.974 218 E CA 1.253 57.434 56.400 -0.365 0.000 0.806 218 E CB 0.161 29.547 29.700 -0.525 0.000 0.769 218 E HN 0.450 nan 8.360 nan 0.000 0.451 219 H N -1.816 117.253 119.070 -0.002 0.000 2.893 219 H HA 0.331 4.887 4.556 0.001 0.000 0.270 219 H C 0.922 176.248 175.328 -0.004 0.000 1.095 219 H CA 0.464 56.510 56.048 -0.003 0.000 1.186 219 H CB 1.198 30.958 29.762 -0.004 0.000 1.562 219 H HN 0.349 nan 8.280 nan 0.000 0.536 220 G N 2.290 111.130 108.800 0.067 0.000 2.166 220 G HA2 -0.308 3.653 3.960 0.001 0.000 0.260 220 G HA3 -0.308 3.653 3.960 0.001 0.000 0.260 220 G C 0.464 175.393 174.900 0.048 0.000 0.986 220 G CA 1.008 46.135 45.100 0.043 0.000 0.683 220 G HN 0.668 nan 8.290 nan 0.000 0.527 221 T N -4.063 110.533 114.554 0.070 0.000 2.821 221 T HA 0.535 4.885 4.350 0.001 0.000 0.306 221 T C -0.721 174.004 174.700 0.043 0.000 1.313 221 T CA -0.146 61.978 62.100 0.040 0.000 1.012 221 T CB 2.191 71.076 68.868 0.027 0.000 1.298 221 T HN 1.286 nan 8.240 nan 0.000 0.502 222 C N 2.131 121.438 119.300 0.011 0.000 2.455 222 C HA 0.602 5.063 4.460 0.001 0.000 0.321 222 C C 1.624 176.604 174.990 -0.017 0.000 1.102 222 C CA -0.284 58.738 59.018 0.007 0.000 1.413 222 C CB -0.204 27.535 27.740 -0.002 0.000 1.952 222 C HN 1.149 nan 8.230 nan 0.000 0.428 223 E N 2.132 122.322 120.200 -0.017 0.000 2.086 223 E HA -0.290 4.061 4.350 0.001 0.000 0.205 223 E C 1.886 178.466 176.600 -0.034 0.000 1.027 223 E CA 2.524 58.906 56.400 -0.031 0.000 0.830 223 E CB -0.093 29.587 29.700 -0.035 0.000 0.751 223 E HN 0.911 nan 8.360 nan 0.000 0.456 224 E N -0.679 119.507 120.200 -0.024 0.000 2.085 224 E HA -0.176 4.175 4.350 0.001 0.000 0.194 224 E C 2.035 178.590 176.600 -0.075 0.000 0.994 224 E CA 1.594 57.977 56.400 -0.029 0.000 0.801 224 E CB -0.056 29.652 29.700 0.013 0.000 0.743 224 E HN 0.213 nan 8.360 nan 0.000 0.453 225 V N 0.981 120.841 119.914 -0.091 0.000 2.407 225 V HA -0.244 3.877 4.120 0.001 0.000 0.248 225 V C 2.780 178.789 176.094 -0.141 0.000 1.055 225 V CA 2.401 64.612 62.300 -0.148 0.000 1.049 225 V CB -0.864 30.880 31.823 -0.132 0.000 0.662 225 V HN 0.474 nan 8.190 nan 0.000 0.455 226 K N -0.726 119.621 120.400 -0.088 0.000 2.057 226 K HA -0.210 4.110 4.320 0.001 0.000 0.206 226 K C 1.977 178.536 176.600 -0.068 0.000 1.050 226 K CA 1.423 57.669 56.287 -0.068 0.000 0.935 226 K CB -0.647 31.827 32.500 -0.043 0.000 0.715 226 K HN 0.520 nan 8.250 nan 0.000 0.439 227 Q N 0.338 120.099 119.800 -0.064 0.000 2.084 227 Q HA -0.080 4.260 4.340 0.001 0.000 0.202 227 Q C 2.306 178.263 176.000 -0.071 0.000 0.978 227 Q CA 1.556 57.330 55.803 -0.049 0.000 0.844 227 Q CB -0.868 27.848 28.738 -0.037 0.000 0.898 227 Q HN 0.391 nan 8.270 nan 0.000 0.426 228 V N 1.235 121.063 119.914 -0.144 0.000 2.287 228 V HA -0.261 3.860 4.120 0.001 0.000 0.248 228 V C 2.250 178.151 176.094 -0.322 0.000 1.053 228 V CA 1.952 64.093 62.300 -0.265 0.000 1.027 228 V CB -0.449 31.113 31.823 -0.435 0.000 0.646 228 V HN 0.322 nan 8.190 nan 0.000 0.447 229 R N -1.422 118.918 120.500 -0.267 0.000 2.316 229 R HA -0.045 4.295 4.340 0.001 0.000 0.202 229 R C 1.842 178.189 176.300 0.079 0.000 1.029 229 R CA 1.127 57.183 56.100 -0.074 0.000 1.018 229 R CB -0.332 29.937 30.300 -0.052 0.000 0.888 229 R HN 0.499 nan 8.270 nan 0.000 0.471 230 C N -0.415 118.905 119.300 0.034 0.000 2.935 230 C HA 0.136 4.597 4.460 0.001 0.000 0.308 230 C C 1.051 176.080 174.990 0.064 0.000 1.263 230 C CA -0.503 58.544 59.018 0.049 0.000 1.738 230 C CB -0.060 27.691 27.740 0.018 0.000 2.237 230 C HN 0.397 nan 8.230 nan 0.000 0.600 231 S N 1.303 117.045 115.700 0.070 0.000 2.562 231 S HA 0.069 4.540 4.470 0.001 0.000 0.281 231 S C 0.746 175.402 174.600 0.094 0.000 1.333 231 S CA 0.031 58.277 58.200 0.077 0.000 1.052 231 S CB 0.782 64.023 63.200 0.068 0.000 0.884 231 S HN 0.595 nan 8.310 nan 0.000 0.506 232 E N 1.738 121.989 120.200 0.085 0.000 2.085 232 E HA -0.266 4.085 4.350 0.001 0.000 0.194 232 E C 2.111 178.739 176.600 0.046 0.000 0.994 232 E CA 1.247 57.704 56.400 0.094 0.000 0.801 232 E CB -0.123 29.664 29.700 0.144 0.000 0.743 232 E HN 0.742 nan 8.360 nan 0.000 0.453 233 R N -0.062 120.446 120.500 0.013 0.000 2.094 233 R HA -0.245 4.095 4.340 0.001 0.000 0.239 233 R C 2.214 178.349 176.300 -0.276 0.000 1.137 233 R CA 2.231 58.142 56.100 -0.316 0.000 0.943 233 R CB -1.246 28.962 30.300 -0.153 0.000 0.850 233 R HN 0.405 nan 8.270 nan 0.000 0.433 234 Y N 1.003 121.217 120.300 -0.143 0.000 2.133 234 Y HA -0.179 4.372 4.550 0.001 0.000 0.287 234 Y C 2.149 177.996 175.900 -0.089 0.000 1.134 234 Y CA 2.205 60.280 58.100 -0.041 0.000 1.133 234 Y CB -0.355 38.130 38.460 0.042 0.000 0.987 234 Y HN 0.253 nan 8.280 nan 0.000 0.502 235 Q N -0.830 118.922 119.800 -0.080 0.000 2.112 235 Q HA -0.196 4.144 4.340 0.001 0.000 0.206 235 Q C 2.079 177.900 176.000 -0.298 0.000 0.987 235 Q CA 2.302 58.004 55.803 -0.167 0.000 0.858 235 Q CB -0.348 28.376 28.738 -0.024 0.000 0.905 235 Q HN 0.468 nan 8.270 nan 0.000 0.420 236 T N 0.691 115.041 114.554 -0.341 0.000 2.770 236 T HA -0.079 4.272 4.350 0.001 0.000 0.263 236 T C 1.838 176.103 174.700 -0.727 0.000 1.039 236 T CA 0.893 62.675 62.100 -0.529 0.000 1.142 236 T CB -0.044 68.595 68.868 -0.382 0.000 0.868 236 T HN 0.142 nan 8.240 nan 0.000 0.435 237 M N 1.276 120.421 119.600 -0.759 0.000 2.080 237 M HA -0.067 4.413 4.480 0.001 0.000 0.260 237 M C 2.275 177.936 176.300 -1.064 0.000 1.068 237 M CA 1.592 56.321 55.300 -0.950 0.000 1.109 237 M CB -1.028 30.828 32.600 -1.239 0.000 1.342 237 M HN 0.160 nan 8.290 nan 0.000 0.405 238 K N 0.389 120.200 120.400 -0.981 0.000 2.103 238 K HA -0.185 4.136 4.320 0.001 0.000 0.207 238 K C 1.934 178.430 176.600 -0.174 0.000 1.048 238 K CA 1.147 57.172 56.287 -0.436 0.000 0.930 238 K CB -0.312 31.978 32.500 -0.349 0.000 0.716 238 K HN 0.155 nan 8.250 nan 0.000 0.444 239 L N 0.172 121.278 121.223 -0.194 0.000 2.027 239 L HA -0.042 4.299 4.340 0.001 0.000 0.206 239 L C 1.903 178.923 176.870 0.251 0.000 1.074 239 L CA 1.666 56.519 54.840 0.022 0.000 0.745 239 L CB -0.402 41.600 42.059 -0.095 0.000 0.898 239 L HN 0.276 nan 8.230 nan 0.000 0.433 240 F N -0.607 119.329 119.950 -0.025 0.000 2.113 240 F HA -0.216 4.312 4.527 0.001 0.000 0.297 240 F C 2.482 178.301 175.800 0.032 0.000 1.103 240 F CA 1.074 59.109 58.000 0.057 0.000 1.248 240 F CB -0.731 38.309 39.000 0.066 0.000 0.999 240 F HN 0.268 nan 8.300 nan 0.000 0.475 241 T N -2.113 112.512 114.554 0.118 0.000 3.007 241 T HA -0.222 4.129 4.350 0.001 0.000 0.270 241 T C 1.525 176.312 174.700 0.145 0.000 1.107 241 T CA 1.084 63.232 62.100 0.080 0.000 1.118 241 T CB -0.370 68.530 68.868 0.055 0.000 0.889 241 T HN 0.139 nan 8.240 nan 0.000 0.506 242 Q N 1.627 121.543 119.800 0.192 0.000 2.224 242 Q HA 0.065 4.405 4.340 0.001 0.000 0.203 242 Q C 0.556 176.713 176.000 0.262 0.000 0.970 242 Q CA 0.489 56.412 55.803 0.199 0.000 0.865 242 Q CB -0.792 28.076 28.738 0.217 0.000 0.922 242 Q HN 0.498 nan 8.270 nan 0.000 0.445 243 V N 2.493 122.634 119.914 0.379 0.000 2.655 243 V HA -0.009 4.112 4.120 0.001 0.000 0.300 243 V C 0.342 176.605 176.094 0.282 0.000 1.044 243 V CA -0.332 62.212 62.300 0.406 0.000 1.095 243 V CB -0.205 31.839 31.823 0.368 0.000 0.952 243 V HN 0.316 nan 8.190 nan 0.000 0.485 244 F N 4.610 124.639 119.950 0.132 0.000 2.533 244 F HA 0.538 5.065 4.527 0.001 0.000 0.378 244 F C 1.125 176.957 175.800 0.054 0.000 1.070 244 F CA 0.541 58.586 58.000 0.074 0.000 1.172 244 F CB 0.184 39.210 39.000 0.043 0.000 1.085 244 F HN 0.770 nan 8.300 nan 0.000 0.552 245 G N 3.644 112.142 108.800 -0.504 0.000 2.201 245 G HA2 -0.148 3.812 3.960 0.001 0.000 0.212 245 G HA3 -0.148 3.812 3.960 0.001 0.000 0.212 245 G C -0.737 174.035 174.900 -0.214 0.000 0.994 245 G CA -0.119 44.699 45.100 -0.470 0.000 0.644 245 G HN 0.811 nan 8.290 nan 0.000 0.508 246 V N 1.150 120.988 119.914 -0.126 0.000 2.384 246 V HA 0.809 4.930 4.120 0.001 0.000 0.287 246 V C 0.888 176.913 176.094 -0.115 0.000 1.020 246 V CA 0.083 62.286 62.300 -0.162 0.000 0.850 246 V CB 1.274 33.033 31.823 -0.105 0.000 0.987 246 V HN 0.736 nan 8.190 nan 0.000 0.436 247 G N 2.492 111.199 108.800 -0.155 0.000 2.820 247 G HA2 0.495 4.455 3.960 0.001 0.000 0.291 247 G HA3 0.495 4.455 3.960 0.001 0.000 0.291 247 G C 0.827 175.671 174.900 -0.093 0.000 1.323 247 G CA -0.375 44.675 45.100 -0.084 0.000 1.055 247 G HN 0.386 nan 8.290 nan 0.000 0.520 248 V N 0.029 119.927 119.914 -0.026 0.000 2.287 248 V HA -0.192 3.929 4.120 0.001 0.000 0.248 248 V C 2.936 178.989 176.094 -0.068 0.000 1.053 248 V CA 2.558 64.852 62.300 -0.011 0.000 1.027 248 V CB -0.498 31.368 31.823 0.071 0.000 0.646 248 V HN 0.708 nan 8.190 nan 0.000 0.447 249 K N 0.268 120.623 120.400 -0.075 0.000 2.044 249 K HA -0.200 4.120 4.320 0.001 0.000 0.210 249 K C 2.110 178.606 176.600 -0.173 0.000 1.049 249 K CA 2.496 58.728 56.287 -0.092 0.000 0.927 249 K CB -0.879 31.573 32.500 -0.080 0.000 0.713 249 K HN 0.556 nan 8.250 nan 0.000 0.443 250 T N 0.194 114.576 114.554 -0.287 0.000 2.737 250 T HA -0.085 4.266 4.350 0.001 0.000 0.265 250 T C 1.860 176.159 174.700 -0.669 0.000 1.038 250 T CA 1.353 63.111 62.100 -0.571 0.000 1.144 250 T CB -0.570 67.855 68.868 -0.739 0.000 0.866 250 T HN 0.373 nan 8.240 nan 0.000 0.434 251 A N 2.089 124.677 122.820 -0.386 0.000 1.940 251 A HA -0.204 4.117 4.320 0.001 0.000 0.219 251 A C 2.169 179.821 177.584 0.115 0.000 1.176 251 A CA 2.164 54.173 52.037 -0.047 0.000 0.631 251 A CB -0.900 18.101 19.000 0.002 0.000 0.814 251 A HN 0.528 nan 8.150 nan 0.000 0.446 252 N N -0.536 118.164 118.700 -0.000 0.000 2.270 252 N HA -0.146 4.595 4.740 0.001 0.000 0.181 252 N C 1.828 177.421 175.510 0.138 0.000 1.016 252 N CA 1.515 54.613 53.050 0.080 0.000 0.870 252 N CB -0.321 38.182 38.487 0.026 0.000 0.979 252 N HN 0.523 nan 8.380 nan 0.000 0.431 253 R N -0.889 119.626 120.500 0.024 0.000 2.073 253 R HA -0.116 4.225 4.340 0.001 0.000 0.234 253 R C 1.457 177.905 176.300 0.245 0.000 1.134 253 R CA 1.672 57.806 56.100 0.057 0.000 0.952 253 R CB -0.316 29.934 30.300 -0.082 0.000 0.850 253 R HN 0.322 nan 8.270 nan 0.000 0.433 254 W N -0.292 121.077 121.300 0.114 0.000 2.388 254 W HA -0.148 4.513 4.660 0.001 0.000 0.294 254 W C 2.029 178.699 176.519 0.250 0.000 1.212 254 W CA 0.241 57.662 57.345 0.127 0.000 1.271 254 W CB -1.291 28.170 29.460 0.001 0.000 1.126 254 W HN 0.187 nan 8.180 nan 0.000 0.535 255 Y N 1.814 122.364 120.300 0.416 0.000 2.128 255 Y HA -0.302 4.249 4.550 0.001 0.000 0.284 255 Y C 2.546 178.534 175.900 0.147 0.000 1.154 255 Y CA 2.268 60.511 58.100 0.239 0.000 1.149 255 Y CB -0.613 37.914 38.460 0.112 0.000 0.976 255 Y HN -0.141 nan 8.280 nan 0.000 0.505 256 Q N 0.447 120.361 119.800 0.190 0.000 2.096 256 Q HA -0.227 4.114 4.340 0.001 0.000 0.204 256 Q C 2.038 178.048 176.000 0.016 0.000 0.982 256 Q CA 2.058 57.907 55.803 0.077 0.000 0.850 256 Q CB -0.494 28.313 28.738 0.115 0.000 0.901 256 Q HN 0.672 nan 8.270 nan 0.000 0.422 257 E N -0.907 119.333 120.200 0.065 0.000 2.268 257 E HA -0.058 4.292 4.350 0.001 0.000 0.195 257 E C 1.005 177.594 176.600 -0.017 0.000 0.995 257 E CA 0.674 57.096 56.400 0.036 0.000 0.836 257 E CB 0.065 29.808 29.700 0.072 0.000 0.763 257 E HN 0.566 nan 8.360 nan 0.000 0.491 258 G N 0.260 109.026 108.800 -0.057 0.000 2.205 258 G HA2 -0.208 3.752 3.960 0.001 0.000 0.180 258 G HA3 -0.208 3.752 3.960 0.001 0.000 0.180 258 G C 0.185 175.047 174.900 -0.063 0.000 1.004 258 G CA -0.355 44.675 45.100 -0.117 0.000 0.670 258 G HN 0.073 nan 8.290 nan 0.000 0.496 259 L N 0.174 121.422 121.223 0.041 0.000 2.499 259 L HA 0.432 4.772 4.340 0.001 0.000 0.281 259 L C 1.751 178.755 176.870 0.224 0.000 1.234 259 L CA 0.120 55.036 54.840 0.127 0.000 0.839 259 L CB 0.418 42.558 42.059 0.136 0.000 1.104 259 L HN 0.140 nan 8.230 nan 0.000 0.500 260 R N -0.618 120.015 120.500 0.222 0.000 2.688 260 R HA 0.126 4.466 4.340 0.001 0.000 0.236 260 R C 0.072 176.435 176.300 0.104 0.000 0.981 260 R CA 0.371 56.528 56.100 0.095 0.000 1.139 260 R CB 0.576 30.877 30.300 0.002 0.000 1.677 260 R HN 0.787 nan 8.270 nan 0.000 0.554 261 T N -2.377 112.283 114.554 0.177 0.000 2.942 261 T HA 0.521 4.872 4.350 0.001 0.000 0.289 261 T C 1.427 176.215 174.700 0.147 0.000 1.044 261 T CA -0.802 61.371 62.100 0.121 0.000 1.023 261 T CB 1.805 70.688 68.868 0.025 0.000 1.123 261 T HN -0.136 nan 8.240 nan 0.000 0.512 262 L N 0.120 121.364 121.223 0.036 0.000 2.023 262 L HA 0.007 4.348 4.340 0.001 0.000 0.205 262 L C 2.371 179.167 176.870 -0.123 0.000 1.073 262 L CA 1.393 56.183 54.840 -0.084 0.000 0.745 262 L CB -0.661 41.262 42.059 -0.228 0.000 0.900 262 L HN 0.690 nan 8.230 nan 0.000 0.435 263 D N 0.167 120.512 120.400 -0.092 0.000 2.158 263 D HA -0.249 4.391 4.640 0.001 0.000 0.197 263 D C 2.040 178.277 176.300 -0.106 0.000 0.995 263 D CA 1.187 55.134 54.000 -0.088 0.000 0.846 263 D CB -0.035 40.730 40.800 -0.059 0.000 0.941 263 D HN 0.280 nan 8.370 nan 0.000 0.456 264 E N -0.547 119.594 120.200 -0.097 0.000 2.209 264 E HA -0.128 4.223 4.350 0.001 0.000 0.196 264 E C 1.797 178.268 176.600 -0.215 0.000 0.993 264 E CA 0.529 56.858 56.400 -0.119 0.000 0.819 264 E CB 0.041 29.699 29.700 -0.071 0.000 0.745 264 E HN 0.309 nan 8.360 nan 0.000 0.477 265 L N -0.609 120.442 121.223 -0.288 0.000 2.375 265 L HA 0.074 4.414 4.340 0.001 0.000 0.215 265 L C 1.984 178.669 176.870 -0.308 0.000 1.108 265 L CA 0.290 54.856 54.840 -0.456 0.000 0.830 265 L CB 0.049 41.711 42.059 -0.662 0.000 0.959 265 L HN -0.087 nan 8.230 nan 0.000 0.457 266 R N 0.174 120.552 120.500 -0.204 0.000 2.313 266 R HA -0.017 4.323 4.340 0.001 0.000 0.199 266 R C 1.120 177.352 176.300 -0.113 0.000 0.958 266 R CA 0.344 56.361 56.100 -0.138 0.000 1.047 266 R CB 0.073 30.311 30.300 -0.103 0.000 0.955 266 R HN 0.416 nan 8.270 nan 0.000 0.481 267 E N -0.086 120.036 120.200 -0.129 0.000 2.460 267 E HA 0.021 4.372 4.350 0.001 0.000 0.200 267 E C 0.264 176.802 176.600 -0.102 0.000 1.011 267 E CA 0.185 56.525 56.400 -0.100 0.000 0.912 267 E CB 0.656 30.300 29.700 -0.093 0.000 0.953 267 E HN 0.221 nan 8.360 nan 0.000 0.494 268 Q N 0.586 120.304 119.800 -0.137 0.000 2.462 268 Q HA 0.148 4.489 4.340 0.001 0.000 0.395 268 Q C -2.119 173.815 176.000 -0.110 0.000 0.911 268 Q CA -1.370 54.358 55.803 -0.125 0.000 1.112 268 Q CB 0.961 29.601 28.738 -0.165 0.000 1.350 268 Q HN 0.078 nan 8.270 nan 0.000 0.407 269 P HA -0.216 nan 4.420 nan 0.000 0.227 269 P C 1.371 178.654 177.300 -0.028 0.000 1.145 269 P CA 1.355 64.425 63.100 -0.051 0.000 0.769 269 P CB 0.179 31.859 31.700 -0.033 0.000 0.769 270 Q N 0.664 120.444 119.800 -0.033 0.000 2.291 270 Q HA -0.135 4.206 4.340 0.001 0.000 0.205 270 Q C 1.585 177.583 176.000 -0.003 0.000 0.970 270 Q CA 1.282 57.076 55.803 -0.015 0.000 0.876 270 Q CB -0.968 27.759 28.738 -0.019 0.000 0.935 270 Q HN 0.485 nan 8.270 nan 0.000 0.455 271 R N -0.624 119.869 120.500 -0.012 0.000 2.834 271 R HA 0.525 4.865 4.340 0.001 0.000 0.362 271 R C -0.869 175.473 176.300 0.069 0.000 1.147 271 R CA -0.443 55.673 56.100 0.025 0.000 1.125 271 R CB -0.498 29.818 30.300 0.027 0.000 1.361 271 R HN 0.338 nan 8.270 nan 0.000 0.598 272 L N -3.010 118.249 121.223 0.060 0.000 2.513 272 L HA 0.535 4.876 4.340 0.001 0.000 0.261 272 L C -0.385 176.531 176.870 0.077 0.000 0.945 272 L CA -0.877 54.026 54.840 0.105 0.000 0.848 272 L CB 1.491 43.602 42.059 0.087 0.000 1.334 272 L HN -0.060 nan 8.230 nan 0.000 0.407 273 T N 0.525 115.126 114.554 0.078 0.000 2.855 273 T HA 0.310 4.660 4.350 0.001 0.000 0.322 273 T C 1.499 176.241 174.700 0.070 0.000 1.088 273 T CA 0.712 62.849 62.100 0.060 0.000 1.104 273 T CB 0.703 69.589 68.868 0.030 0.000 0.996 273 T HN 0.945 nan 8.240 nan 0.000 0.549 274 Q N 0.640 120.506 119.800 0.109 0.000 2.291 274 Q HA -0.119 4.221 4.340 0.001 0.000 0.205 274 Q C 2.183 178.249 176.000 0.109 0.000 0.970 274 Q CA 1.959 57.859 55.803 0.161 0.000 0.876 274 Q CB -0.793 28.103 28.738 0.263 0.000 0.935 274 Q HN 0.843 nan 8.270 nan 0.000 0.455 275 Q N -0.505 119.321 119.800 0.042 0.000 2.049 275 Q HA -0.176 4.164 4.340 0.001 0.000 0.198 275 Q C 2.293 178.193 176.000 -0.168 0.000 0.971 275 Q CA 1.602 57.296 55.803 -0.182 0.000 0.833 275 Q CB 0.085 28.718 28.738 -0.176 0.000 0.896 275 Q HN 0.847 nan 8.270 nan 0.000 0.434 276 Q N 0.138 119.900 119.800 -0.063 0.000 2.123 276 Q HA -0.146 4.194 4.340 0.001 0.000 0.199 276 Q C 1.956 177.995 176.000 0.065 0.000 0.966 276 Q CA 1.098 56.913 55.803 0.021 0.000 0.845 276 Q CB -0.119 28.673 28.738 0.089 0.000 0.907 276 Q HN 0.219 nan 8.270 nan 0.000 0.439 277 K N 1.175 121.605 120.400 0.051 0.000 2.032 277 K HA -0.174 4.146 4.320 0.001 0.000 0.209 277 K C 2.093 178.737 176.600 0.073 0.000 1.048 277 K CA 1.332 57.651 56.287 0.054 0.000 0.927 277 K CB -0.189 32.349 32.500 0.063 0.000 0.712 277 K HN 0.169 nan 8.250 nan 0.000 0.441 278 A N 0.656 123.521 122.820 0.076 0.000 1.972 278 A HA -0.065 4.255 4.320 0.001 0.000 0.219 278 A C 2.329 180.068 177.584 0.259 0.000 1.169 278 A CA 1.815 53.944 52.037 0.152 0.000 0.635 278 A CB -1.067 17.894 19.000 -0.065 0.000 0.810 278 A HN 0.588 nan 8.150 nan 0.000 0.446 279 G N -0.372 108.574 108.800 0.244 0.000 2.422 279 G HA2 -0.092 3.869 3.960 0.001 0.000 0.218 279 G HA3 -0.092 3.869 3.960 0.001 0.000 0.218 279 G C 1.492 176.580 174.900 0.315 0.000 1.140 279 G CA 1.018 46.318 45.100 0.333 0.000 0.775 279 G HN 0.452 nan 8.290 nan 0.000 0.545 280 L N -0.600 120.745 121.223 0.203 0.000 2.209 280 L HA 0.085 4.425 4.340 0.001 0.000 0.207 280 L C 2.829 179.755 176.870 0.094 0.000 1.094 280 L CA 0.647 55.577 54.840 0.151 0.000 0.790 280 L CB -0.321 41.761 42.059 0.037 0.000 0.932 280 L HN 0.226 nan 8.230 nan 0.000 0.447 281 Q N 0.001 119.797 119.800 -0.005 0.000 2.226 281 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 281 Q C 0.750 176.549 176.000 -0.335 0.000 0.975 281 Q CA 1.569 57.234 55.803 -0.230 0.000 0.866 281 Q CB 0.223 28.701 28.738 -0.434 0.000 0.915 281 Q HN 0.564 nan 8.270 nan 0.000 0.440 282 Y N -2.169 118.220 120.300 0.149 0.000 2.706 282 Y HA 0.075 4.626 4.550 0.001 0.000 0.255 282 Y C 0.785 176.772 175.900 0.146 0.000 1.163 282 Y CA -0.663 57.521 58.100 0.140 0.000 1.174 282 Y CB 0.004 38.502 38.460 0.062 0.000 1.200 282 Y HN 0.131 nan 8.280 nan 0.000 0.544 283 Y N 1.613 122.017 120.300 0.172 0.000 2.062 283 Y HA -0.420 4.131 4.550 0.001 0.000 0.276 283 Y C 2.536 178.517 175.900 0.135 0.000 1.189 283 Y CA 2.422 60.610 58.100 0.145 0.000 1.130 283 Y CB -0.086 38.440 38.460 0.110 0.000 0.959 283 Y HN 0.206 nan 8.280 nan 0.000 0.499 284 Q N 0.461 120.411 119.800 0.251 0.000 2.045 284 Q HA -0.213 4.127 4.340 0.001 0.000 0.206 284 Q C 1.799 177.844 176.000 0.074 0.000 0.991 284 Q CA 2.428 58.326 55.803 0.159 0.000 0.851 284 Q CB -0.436 28.411 28.738 0.181 0.000 0.911 284 Q HN 0.561 nan 8.270 nan 0.000 0.418 285 D N -0.741 119.737 120.400 0.131 0.000 2.224 285 D HA -0.072 4.568 4.640 0.001 0.000 0.205 285 D C 1.460 177.778 176.300 0.030 0.000 0.965 285 D CA 0.621 54.687 54.000 0.109 0.000 0.852 285 D CB 0.083 41.001 40.800 0.197 0.000 0.947 285 D HN 0.318 nan 8.370 nan 0.000 0.494 286 L N 0.958 122.177 121.223 -0.006 0.000 2.610 286 L HA -0.004 4.337 4.340 0.001 0.000 0.232 286 L C 1.749 178.548 176.870 -0.119 0.000 1.149 286 L CA 0.502 55.300 54.840 -0.070 0.000 0.872 286 L CB -0.148 41.874 42.059 -0.062 0.000 0.992 286 L HN 0.013 nan 8.230 nan 0.000 0.447 287 S N -2.986 112.618 115.700 -0.160 0.000 2.554 287 S HA 0.096 4.567 4.470 0.001 0.000 0.226 287 S C 0.641 175.208 174.600 -0.056 0.000 0.980 287 S CA -0.491 57.608 58.200 -0.169 0.000 0.939 287 S CB 0.109 63.124 63.200 -0.309 0.000 0.832 287 S HN 0.100 nan 8.310 nan 0.000 0.486 288 T N 4.950 119.490 114.554 -0.022 0.000 2.743 288 T HA 0.477 4.827 4.350 0.001 0.000 0.292 288 T C -2.795 171.916 174.700 0.018 0.000 0.972 288 T CA -1.241 60.866 62.100 0.012 0.000 0.967 288 T CB 1.189 70.076 68.868 0.033 0.000 0.926 288 T HN 0.121 nan 8.240 nan 0.000 0.459 289 P HA 0.052 nan 4.420 nan 0.000 0.263 289 P C -0.580 176.758 177.300 0.064 0.000 1.175 289 P CA -0.233 62.888 63.100 0.035 0.000 0.761 289 P CB 0.359 32.078 31.700 0.031 0.000 0.794 290 V N 5.359 125.328 119.914 0.092 0.000 2.455 290 V HA 0.159 4.279 4.120 0.001 0.000 0.273 290 V C 1.015 177.288 176.094 0.299 0.000 1.045 290 V CA -0.068 62.331 62.300 0.165 0.000 0.976 290 V CB 0.201 32.145 31.823 0.201 0.000 0.993 290 V HN 0.475 nan 8.190 nan 0.000 0.475 291 R N 2.958 123.569 120.500 0.186 0.000 2.500 291 R HA 0.350 4.691 4.340 0.001 0.000 0.275 291 R C 1.254 177.582 176.300 0.048 0.000 1.051 291 R CA -0.836 55.363 56.100 0.166 0.000 1.088 291 R CB 0.651 30.997 30.300 0.076 0.000 1.063 291 R HN 0.483 nan 8.270 nan 0.000 0.511 292 R N 2.246 122.752 120.500 0.011 0.000 2.117 292 R HA -0.178 4.163 4.340 0.001 0.000 0.243 292 R C 1.743 177.896 176.300 -0.245 0.000 1.143 292 R CA 2.221 58.135 56.100 -0.309 0.000 0.968 292 R CB -0.868 29.375 30.300 -0.097 0.000 0.863 292 R HN 0.813 nan 8.270 nan 0.000 0.444 293 A N 0.376 123.137 122.820 -0.098 0.000 1.948 293 A HA -0.186 4.134 4.320 0.001 0.000 0.220 293 A C 1.647 179.189 177.584 -0.069 0.000 1.177 293 A CA 2.035 54.033 52.037 -0.064 0.000 0.636 293 A CB -0.514 18.474 19.000 -0.021 0.000 0.815 293 A HN 0.409 nan 8.150 nan 0.000 0.449 294 D N -0.430 119.927 120.400 -0.071 0.000 2.234 294 D HA 0.102 4.742 4.640 0.001 0.000 0.205 294 D C 2.165 178.416 176.300 -0.081 0.000 0.962 294 D CA 1.130 55.103 54.000 -0.044 0.000 0.855 294 D CB -0.232 40.566 40.800 -0.002 0.000 0.951 294 D HN 0.442 nan 8.370 nan 0.000 0.500 295 A N 1.233 123.914 122.820 -0.232 0.000 1.930 295 A HA -0.160 4.160 4.320 0.001 0.000 0.217 295 A C 1.998 179.530 177.584 -0.087 0.000 1.175 295 A CA 1.093 52.958 52.037 -0.286 0.000 0.627 295 A CB -0.316 18.144 19.000 -0.899 0.000 0.815 295 A HN 0.168 nan 8.150 nan 0.000 0.443 296 E N -0.155 119.980 120.200 -0.109 0.000 2.152 296 E HA 0.003 4.353 4.350 0.001 0.000 0.192 296 E C 2.217 178.815 176.600 -0.003 0.000 0.983 296 E CA 0.709 57.089 56.400 -0.033 0.000 0.818 296 E CB -0.223 29.446 29.700 -0.053 0.000 0.758 296 E HN 0.606 nan 8.360 nan 0.000 0.467 297 A N 1.333 124.147 122.820 -0.009 0.000 1.897 297 A HA -0.086 4.234 4.320 0.001 0.000 0.215 297 A C 2.156 179.746 177.584 0.010 0.000 1.181 297 A CA 0.835 52.871 52.037 -0.001 0.000 0.620 297 A CB -0.446 18.555 19.000 0.001 0.000 0.821 297 A HN 0.116 nan 8.150 nan 0.000 0.443 298 L N -0.852 120.398 121.223 0.046 0.000 2.313 298 L HA -0.147 4.193 4.340 0.001 0.000 0.214 298 L C 2.712 179.605 176.870 0.039 0.000 1.119 298 L CA 1.289 56.175 54.840 0.077 0.000 0.809 298 L CB -0.377 41.781 42.059 0.165 0.000 0.933 298 L HN 0.568 nan 8.230 nan 0.000 0.449 299 Q N 0.523 120.383 119.800 0.100 0.000 2.061 299 Q HA -0.254 4.087 4.340 0.001 0.000 0.204 299 Q C 2.145 178.023 176.000 -0.202 0.000 0.984 299 Q CA 1.849 57.614 55.803 -0.064 0.000 0.846 299 Q CB 0.007 28.813 28.738 0.114 0.000 0.902 299 Q HN 0.486 nan 8.270 nan 0.000 0.421 300 Q N -0.138 119.606 119.800 -0.094 0.000 1.990 300 Q HA -0.075 4.265 4.340 0.001 0.000 0.200 300 Q C 2.263 178.201 176.000 -0.103 0.000 0.980 300 Q CA 1.557 57.306 55.803 -0.088 0.000 0.832 300 Q CB -0.218 28.491 28.738 -0.047 0.000 0.897 300 Q HN 0.401 nan 8.270 nan 0.000 0.427 301 L N 0.652 121.825 121.223 -0.083 0.000 2.137 301 L HA -0.237 4.104 4.340 0.001 0.000 0.213 301 L C 2.253 179.057 176.870 -0.110 0.000 1.085 301 L CA 0.708 55.504 54.840 -0.074 0.000 0.760 301 L CB -0.667 41.362 42.059 -0.050 0.000 0.893 301 L HN 0.326 nan 8.230 nan 0.000 0.434 302 I N -0.062 120.394 120.570 -0.190 0.000 2.286 302 I HA -0.182 3.988 4.170 0.001 0.000 0.245 302 I C 2.393 178.387 176.117 -0.205 0.000 1.104 302 I CA 1.360 62.509 61.300 -0.252 0.000 1.397 302 I CB -0.881 36.792 38.000 -0.545 0.000 1.072 302 I HN 0.336 nan 8.210 nan 0.000 0.417 303 E N 1.055 121.136 120.200 -0.200 0.000 2.268 303 E HA -0.129 4.222 4.350 0.001 0.000 0.195 303 E C 2.290 178.839 176.600 -0.085 0.000 0.995 303 E CA 1.055 57.375 56.400 -0.133 0.000 0.836 303 E CB -0.024 29.607 29.700 -0.114 0.000 0.763 303 E HN 0.462 nan 8.360 nan 0.000 0.491 304 A N 1.672 124.444 122.820 -0.080 0.000 1.845 304 A HA -0.059 4.262 4.320 0.001 0.000 0.215 304 A C 2.334 179.891 177.584 -0.045 0.000 1.195 304 A CA 1.554 53.559 52.037 -0.053 0.000 0.616 304 A CB -0.579 18.392 19.000 -0.047 0.000 0.832 304 A HN 0.275 nan 8.150 nan 0.000 0.443 305 A N -1.036 121.754 122.820 -0.052 0.000 2.235 305 A HA 0.344 4.664 4.320 0.001 0.000 0.208 305 A C 1.703 179.267 177.584 -0.035 0.000 1.172 305 A CA 1.144 53.158 52.037 -0.038 0.000 0.786 305 A CB -0.325 18.651 19.000 -0.039 0.000 0.804 305 A HN 0.323 nan 8.150 nan 0.000 0.479 306 V N -1.024 118.864 119.914 -0.043 0.000 2.788 306 V HA -0.034 4.087 4.120 0.001 0.000 0.241 306 V C 2.395 178.481 176.094 -0.013 0.000 1.083 306 V CA 1.211 63.492 62.300 -0.030 0.000 1.103 306 V CB -0.387 31.405 31.823 -0.052 0.000 0.800 306 V HN 0.524 nan 8.190 nan 0.000 0.476 307 R N -0.011 120.477 120.500 -0.021 0.000 2.075 307 R HA -0.079 4.261 4.340 0.001 0.000 0.226 307 R C 2.274 178.571 176.300 -0.005 0.000 1.114 307 R CA 1.161 57.254 56.100 -0.011 0.000 0.972 307 R CB -0.252 30.036 30.300 -0.021 0.000 0.869 307 R HN 0.480 nan 8.270 nan 0.000 0.437 308 Q N 0.348 120.141 119.800 -0.012 0.000 2.224 308 Q HA -0.108 4.233 4.340 0.001 0.000 0.203 308 Q C 0.958 176.955 176.000 -0.004 0.000 0.970 308 Q CA 1.523 57.321 55.803 -0.009 0.000 0.865 308 Q CB 0.257 28.988 28.738 -0.013 0.000 0.922 308 Q HN 0.239 nan 8.270 nan 0.000 0.445 309 T N 0.191 114.743 114.554 -0.003 0.000 3.010 309 T HA 0.105 4.456 4.350 0.001 0.000 0.252 309 T C -0.113 174.591 174.700 0.007 0.000 1.047 309 T CA 0.390 62.490 62.100 0.000 0.000 1.140 309 T CB 0.303 69.171 68.868 -0.000 0.000 0.885 309 T HN 0.194 nan 8.240 nan 0.000 0.464 310 L N 2.943 124.178 121.223 0.020 0.000 2.666 310 L HA 0.426 4.767 4.340 0.001 0.000 0.258 310 L C -2.867 174.050 176.870 0.079 0.000 0.991 310 L CA -2.031 52.834 54.840 0.041 0.000 0.916 310 L CB 1.428 43.511 42.059 0.041 0.000 1.199 310 L HN -0.207 nan 8.230 nan 0.000 0.439 311 P HA 0.230 nan 4.420 nan 0.000 0.268 311 P C 0.764 178.133 177.300 0.115 0.000 1.208 311 P CA 1.319 64.456 63.100 0.062 0.000 0.777 311 P CB 0.809 32.534 31.700 0.042 0.000 0.875 312 G N 0.107 108.908 108.800 0.002 0.000 2.148 312 G HA2 -0.116 3.845 3.960 0.001 0.000 0.254 312 G HA3 -0.116 3.845 3.960 0.001 0.000 0.254 312 G C 0.311 175.021 174.900 -0.317 0.000 0.981 312 G CA 0.127 45.120 45.100 -0.178 0.000 0.670 312 G HN 0.897 nan 8.290 nan 0.000 0.528 313 A N -0.151 122.641 122.820 -0.046 0.000 2.310 313 A HA 0.807 5.127 4.320 0.001 0.000 0.299 313 A C 0.480 178.028 177.584 -0.059 0.000 1.147 313 A CA 0.620 52.655 52.037 -0.003 0.000 0.818 313 A CB 0.867 19.914 19.000 0.079 0.000 1.096 313 A HN 0.663 nan 8.150 nan 0.000 0.495 314 T N 1.412 115.932 114.554 -0.056 0.000 2.829 314 T HA 0.495 4.845 4.350 0.001 0.000 0.282 314 T C -0.486 174.222 174.700 0.013 0.000 0.990 314 T CA -0.252 61.815 62.100 -0.055 0.000 1.028 314 T CB 1.199 69.988 68.868 -0.131 0.000 0.951 314 T HN 0.396 nan 8.240 nan 0.000 0.460 315 V N 3.987 123.908 119.914 0.012 0.000 2.304 315 V HA 0.344 4.464 4.120 0.001 0.000 0.278 315 V C 0.204 176.374 176.094 0.126 0.000 1.018 315 V CA -0.652 61.662 62.300 0.023 0.000 0.814 315 V CB 1.175 32.932 31.823 -0.109 0.000 1.021 315 V HN 0.966 nan 8.190 nan 0.000 0.440 316 T N 5.887 120.591 114.554 0.250 0.000 2.795 316 T HA 0.499 4.849 4.350 0.001 0.000 0.282 316 T C -0.371 174.557 174.700 0.379 0.000 0.980 316 T CA -0.293 61.993 62.100 0.310 0.000 1.012 316 T CB 1.441 70.561 68.868 0.420 0.000 0.936 316 T HN 0.387 nan 8.240 nan 0.000 0.457 317 L N 5.374 126.796 121.223 0.331 0.000 2.315 317 L HA 0.464 4.804 4.340 0.001 0.000 0.283 317 L C 0.740 177.695 176.870 0.141 0.000 1.089 317 L CA 0.372 55.359 54.840 0.244 0.000 0.833 317 L CB -0.067 42.110 42.059 0.196 0.000 1.170 317 L HN 0.875 nan 8.230 nan 0.000 0.442 318 T N 1.753 116.359 114.554 0.085 0.000 2.769 318 T HA 0.927 5.278 4.350 0.001 0.000 0.258 318 T C 0.636 175.397 174.700 0.103 0.000 1.008 318 T CA -0.313 61.858 62.100 0.118 0.000 1.021 318 T CB 0.342 69.317 68.868 0.179 0.000 1.788 318 T HN 1.300 nan 8.240 nan 0.000 0.577 319 G N -0.293 108.580 108.800 0.123 0.000 2.598 319 G HA2 0.017 3.978 3.960 0.001 0.000 0.244 319 G HA3 0.017 3.978 3.960 0.001 0.000 0.244 319 G C 0.974 175.870 174.900 -0.007 0.000 1.302 319 G CA 0.263 45.401 45.100 0.063 0.000 0.903 319 G HN 1.543 nan 8.290 nan 0.000 0.575 320 G N -0.996 107.741 108.800 -0.105 0.000 2.422 320 G HA2 0.043 4.004 3.960 0.001 0.000 0.218 320 G HA3 0.043 4.004 3.960 0.001 0.000 0.218 320 G C 1.718 176.531 174.900 -0.145 0.000 1.146 320 G CA 1.640 46.634 45.100 -0.177 0.000 0.769 320 G HN 0.565 nan 8.290 nan 0.000 0.547 321 F N 0.431 120.363 119.950 -0.030 0.000 2.161 321 F HA -0.063 4.464 4.527 0.001 0.000 0.300 321 F C 2.845 178.634 175.800 -0.018 0.000 1.089 321 F CA 1.374 59.356 58.000 -0.031 0.000 1.282 321 F CB -0.015 38.954 39.000 -0.052 0.000 1.010 321 F HN 0.052 nan 8.300 nan 0.000 0.485 322 R N 0.864 121.463 120.500 0.165 0.000 2.092 322 R HA -0.076 4.264 4.340 0.001 0.000 0.231 322 R C 1.953 178.283 176.300 0.051 0.000 1.119 322 R CA 1.052 57.214 56.100 0.104 0.000 0.970 322 R CB -0.134 30.220 30.300 0.090 0.000 0.864 322 R HN 0.145 nan 8.270 nan 0.000 0.440 323 R N -0.683 119.823 120.500 0.010 0.000 2.357 323 R HA 0.025 4.365 4.340 0.001 0.000 0.202 323 R C 0.829 177.117 176.300 -0.020 0.000 1.047 323 R CA 0.719 56.797 56.100 -0.038 0.000 1.034 323 R CB 0.244 30.494 30.300 -0.082 0.000 0.875 323 R HN 0.592 nan 8.270 nan 0.000 0.473 324 G N 1.074 109.890 108.800 0.027 0.000 2.179 324 G HA2 -0.274 3.686 3.960 0.001 0.000 0.220 324 G HA3 -0.274 3.686 3.960 0.001 0.000 0.220 324 G C -0.036 174.894 174.900 0.049 0.000 0.990 324 G CA -0.392 44.731 45.100 0.038 0.000 0.646 324 G HN 0.252 nan 8.290 nan 0.000 0.517 325 K N 0.065 120.477 120.400 0.020 0.000 2.414 325 K HA 0.403 4.724 4.320 0.001 0.000 0.272 325 K C 1.422 178.087 176.600 0.108 0.000 0.993 325 K CA -0.085 56.192 56.287 -0.016 0.000 0.964 325 K CB 0.655 33.053 32.500 -0.171 0.000 0.925 325 K HN 0.182 nan 8.250 nan 0.000 0.487 326 L N 1.255 122.527 121.223 0.081 0.000 2.509 326 L HA -0.065 4.275 4.340 0.001 0.000 0.222 326 L C 0.914 177.933 176.870 0.249 0.000 1.123 326 L CA 0.504 55.441 54.840 0.162 0.000 0.856 326 L CB -0.263 41.844 42.059 0.079 0.000 0.985 326 L HN 0.686 nan 8.230 nan 0.000 0.456 327 Q N -1.185 118.658 119.800 0.071 0.000 2.685 327 Q HA 0.704 5.045 4.340 0.001 0.000 0.301 327 Q C -0.968 174.775 176.000 -0.429 0.000 0.924 327 Q CA -0.863 54.941 55.803 0.000 0.000 0.755 327 Q CB 2.292 31.049 28.738 0.030 0.000 1.470 327 Q HN -0.093 nan 8.270 nan 0.000 0.434 328 G N -0.501 108.115 108.800 -0.306 0.000 2.608 328 G HA2 0.336 4.297 3.960 0.001 0.000 0.291 328 G HA3 0.336 4.297 3.960 0.001 0.000 0.291 328 G C -0.536 174.320 174.900 -0.072 0.000 1.425 328 G CA -0.141 44.763 45.100 -0.326 0.000 0.787 328 G HN 0.838 nan 8.290 nan 0.000 0.484 329 H N -0.762 118.227 119.070 -0.135 0.000 2.553 329 H HA 0.201 4.757 4.556 0.001 0.000 0.265 329 H C -0.273 175.015 175.328 -0.066 0.000 0.964 329 H CA 1.228 57.227 56.048 -0.081 0.000 1.156 329 H CB 0.551 30.268 29.762 -0.076 0.000 1.411 329 H HN 0.597 nan 8.280 nan 0.000 0.558 330 D N -0.218 119.832 120.400 -0.584 0.000 2.779 330 D HA 0.278 4.918 4.640 0.001 0.000 0.331 330 D C -1.371 174.835 176.300 -0.156 0.000 1.331 330 D CA -0.765 52.938 54.000 -0.496 0.000 0.866 330 D CB 1.775 42.093 40.800 -0.803 0.000 1.409 330 D HN -0.042 nan 8.370 nan 0.000 0.486 331 V N 0.740 120.590 119.914 -0.107 0.000 2.482 331 V HA 0.388 4.508 4.120 0.001 0.000 0.295 331 V C -0.982 174.972 176.094 -0.233 0.000 1.026 331 V CA -0.805 61.440 62.300 -0.091 0.000 0.856 331 V CB 1.505 33.260 31.823 -0.114 0.000 1.001 331 V HN 0.467 nan 8.190 nan 0.000 0.424 332 D N 4.298 124.553 120.400 -0.241 0.000 2.168 332 D HA 0.613 5.254 4.640 0.001 0.000 0.246 332 D C -0.931 175.131 176.300 -0.397 0.000 1.050 332 D CA 0.048 53.964 54.000 -0.140 0.000 0.857 332 D CB 2.397 43.283 40.800 0.144 0.000 1.169 332 D HN 0.310 nan 8.370 nan 0.000 0.453 333 F N 0.861 120.846 119.950 0.058 0.000 2.565 333 F HA 0.359 4.886 4.527 0.001 0.000 0.313 333 F C -0.438 175.327 175.800 -0.057 0.000 1.091 333 F CA -1.195 56.820 58.000 0.025 0.000 0.915 333 F CB 2.050 41.063 39.000 0.021 0.000 1.208 333 F HN 0.064 nan 8.300 nan 0.000 0.453 334 L N 4.516 125.864 121.223 0.208 0.000 2.333 334 L HA 0.692 5.033 4.340 0.001 0.000 0.280 334 L C -1.139 175.850 176.870 0.198 0.000 1.004 334 L CA -0.504 54.383 54.840 0.077 0.000 0.820 334 L CB 1.238 43.300 42.059 0.005 0.000 1.247 334 L HN 0.460 nan 8.230 nan 0.000 0.416 335 I N 3.751 124.410 120.570 0.149 0.000 2.569 335 I HA 0.654 4.825 4.170 0.001 0.000 0.296 335 I C -0.109 176.120 176.117 0.186 0.000 1.028 335 I CA -0.377 61.015 61.300 0.154 0.000 1.082 335 I CB 2.320 40.365 38.000 0.074 0.000 1.264 335 I HN 0.627 nan 8.210 nan 0.000 0.429 336 T N 2.541 117.188 114.554 0.156 0.000 2.665 336 T HA 0.396 4.746 4.350 0.001 0.000 0.303 336 T C -1.995 172.767 174.700 0.103 0.000 1.334 336 T CA -0.438 61.749 62.100 0.146 0.000 1.011 336 T CB 1.579 70.558 68.868 0.183 0.000 1.573 336 T HN 0.664 nan 8.240 nan 0.000 0.492 337 H N 0.459 119.529 119.070 -0.001 0.000 2.954 337 H HA 0.372 4.928 4.556 -0.000 0.000 0.361 337 H C -2.463 172.850 175.328 -0.025 0.000 1.122 337 H CA -1.553 54.483 56.048 -0.021 0.000 1.217 337 H CB 2.470 32.231 29.762 -0.003 0.000 1.776 337 H HN 0.291 nan 8.280 nan 0.000 0.533 338 P HA -0.140 nan 4.420 nan 0.000 0.216 338 P C -0.050 177.355 177.300 0.175 0.000 1.157 338 P CA 2.151 65.245 63.100 -0.010 0.000 0.880 338 P CB -0.028 31.593 31.700 -0.131 0.000 0.791 339 E N 0.292 120.746 120.200 0.423 0.000 2.463 339 E HA 0.226 4.576 4.350 0.001 0.000 0.248 339 E C 1.176 177.857 176.600 0.134 0.000 1.106 339 E CA 0.657 57.189 56.400 0.220 0.000 0.946 339 E CB -1.550 28.218 29.700 0.114 0.000 0.971 339 E HN 0.449 nan 8.360 nan 0.000 0.478 340 E N 1.567 121.825 120.200 0.096 0.000 2.492 340 E HA 0.046 4.397 4.350 0.001 0.000 0.207 340 E C 1.511 178.146 176.600 0.058 0.000 1.112 340 E CA 1.526 57.976 56.400 0.084 0.000 0.910 340 E CB -0.525 29.221 29.700 0.077 0.000 0.852 340 E HN 1.162 nan 8.360 nan 0.000 0.593 341 G N -1.868 106.949 108.800 0.028 0.000 3.584 341 G HA2 0.085 4.046 3.960 0.001 0.000 0.201 341 G HA3 0.085 4.046 3.960 0.001 0.000 0.201 341 G C 1.037 175.906 174.900 -0.051 0.000 1.176 341 G CA 0.454 45.553 45.100 -0.001 0.000 0.902 341 G HN 0.317 nan 8.290 nan 0.000 0.678 342 Q N 0.643 120.368 119.800 -0.124 0.000 2.515 342 Q HA 0.010 4.351 4.340 0.001 0.000 0.214 342 Q C 1.858 177.728 176.000 -0.215 0.000 0.971 342 Q CA 0.985 56.619 55.803 -0.283 0.000 0.952 342 Q CB 0.280 28.584 28.738 -0.722 0.000 0.999 342 Q HN 0.605 nan 8.270 nan 0.000 0.524 343 E N -1.238 118.923 120.200 -0.065 0.000 2.539 343 E HA 0.013 4.363 4.350 0.001 0.000 0.215 343 E C -0.093 176.514 176.600 0.012 0.000 0.965 343 E CA 0.049 56.453 56.400 0.006 0.000 1.019 343 E CB 0.083 29.832 29.700 0.081 0.000 1.059 343 E HN -0.006 nan 8.360 nan 0.000 0.496 344 V N 2.152 122.064 119.914 -0.002 0.000 2.415 344 V HA 0.357 4.478 4.120 0.001 0.000 0.252 344 V C 1.288 177.374 176.094 -0.014 0.000 1.043 344 V CA 0.946 63.245 62.300 -0.001 0.000 1.149 344 V CB -0.464 31.353 31.823 -0.010 0.000 1.143 344 V HN 0.576 nan 8.190 nan 0.000 0.478 345 G N 3.690 112.488 108.800 -0.002 0.000 2.205 345 G HA2 -0.198 3.763 3.960 0.001 0.000 0.180 345 G HA3 -0.198 3.763 3.960 0.001 0.000 0.180 345 G C 0.350 175.257 174.900 0.013 0.000 1.004 345 G CA 0.111 45.207 45.100 -0.007 0.000 0.670 345 G HN 0.626 nan 8.290 nan 0.000 0.496 346 L N 0.676 121.911 121.223 0.020 0.000 2.017 346 L HA 0.236 4.576 4.340 0.001 0.000 0.208 346 L C 2.572 179.464 176.870 0.037 0.000 1.073 346 L CA 2.787 57.642 54.840 0.025 0.000 0.745 346 L CB -0.655 41.423 42.059 0.031 0.000 0.894 346 L HN 0.381 nan 8.230 nan 0.000 0.432 347 L N 0.336 121.592 121.223 0.055 0.000 1.997 347 L HA -0.229 4.111 4.340 0.001 0.000 0.227 347 L C -0.420 176.488 176.870 0.062 0.000 1.087 347 L CA 2.713 57.591 54.840 0.062 0.000 0.797 347 L CB -2.054 40.063 42.059 0.097 0.000 0.902 347 L HN 0.215 nan 8.230 nan 0.000 0.441 348 P HA -0.131 nan 4.420 nan 0.000 0.218 348 P C 1.546 178.872 177.300 0.043 0.000 1.149 348 P CA 2.560 65.717 63.100 0.095 0.000 0.817 348 P CB -0.203 31.602 31.700 0.175 0.000 0.785 349 K N -0.215 120.206 120.400 0.035 0.000 2.147 349 K HA -0.089 4.231 4.320 0.001 0.000 0.205 349 K C 1.998 178.603 176.600 0.009 0.000 1.049 349 K CA 1.873 58.170 56.287 0.017 0.000 0.936 349 K CB -1.801 30.705 32.500 0.011 0.000 0.722 349 K HN 0.027 nan 8.250 nan 0.000 0.446 350 V N 0.554 120.474 119.914 0.010 0.000 2.346 350 V HA -0.178 3.942 4.120 0.001 0.000 0.244 350 V C 2.618 178.710 176.094 -0.003 0.000 1.037 350 V CA 1.403 63.702 62.300 -0.002 0.000 1.029 350 V CB -0.410 31.410 31.823 -0.005 0.000 0.663 350 V HN 0.443 nan 8.190 nan 0.000 0.454 351 M N 1.430 121.031 119.600 0.002 0.000 2.149 351 M HA -0.147 4.334 4.480 0.001 0.000 0.261 351 M C 2.555 178.865 176.300 0.016 0.000 1.064 351 M CA 2.365 57.668 55.300 0.006 0.000 1.102 351 M CB -1.453 31.140 32.600 -0.012 0.000 1.369 351 M HN 0.672 nan 8.290 nan 0.000 0.408 352 S N -0.746 114.961 115.700 0.012 0.000 2.368 352 S HA -0.162 4.308 4.470 0.001 0.000 0.224 352 S C 2.351 176.952 174.600 0.002 0.000 1.029 352 S CA 1.308 59.514 58.200 0.011 0.000 0.988 352 S CB -1.442 61.763 63.200 0.008 0.000 0.838 352 S HN 0.611 nan 8.310 nan 0.000 0.462 353 C N 1.845 121.143 119.300 -0.003 0.000 2.413 353 C HA 0.062 4.522 4.460 0.001 0.000 0.276 353 C C 2.626 177.608 174.990 -0.013 0.000 1.236 353 C CA 0.917 59.930 59.018 -0.009 0.000 1.735 353 C CB -1.777 25.956 27.740 -0.012 0.000 2.031 353 C HN 0.685 nan 8.230 nan 0.000 0.474 354 L N 0.481 121.695 121.223 -0.016 0.000 2.275 354 L HA -0.116 4.224 4.340 0.001 0.000 0.215 354 L C 2.667 179.522 176.870 -0.026 0.000 1.119 354 L CA 1.493 56.319 54.840 -0.024 0.000 0.790 354 L CB -0.679 41.365 42.059 -0.026 0.000 0.919 354 L HN 0.439 nan 8.230 nan 0.000 0.443 355 Q N -0.134 119.656 119.800 -0.016 0.000 2.123 355 Q HA -0.082 4.259 4.340 0.001 0.000 0.199 355 Q C 1.980 177.967 176.000 -0.021 0.000 0.966 355 Q CA 1.247 57.037 55.803 -0.022 0.000 0.845 355 Q CB 0.130 28.868 28.738 -0.000 0.000 0.907 355 Q HN 0.284 nan 8.270 nan 0.000 0.439 356 S N 0.243 115.936 115.700 -0.013 0.000 2.720 356 S HA 0.019 4.490 4.470 0.001 0.000 0.222 356 S C 0.550 175.144 174.600 -0.010 0.000 0.958 356 S CA 0.335 58.529 58.200 -0.010 0.000 0.943 356 S CB -0.017 63.179 63.200 -0.007 0.000 0.779 356 S HN 0.418 nan 8.310 nan 0.000 0.526 357 Q N -0.457 119.334 119.800 -0.014 0.000 2.140 357 Q HA 0.290 4.631 4.340 0.001 0.000 0.227 357 Q C 0.994 176.987 176.000 -0.013 0.000 0.798 357 Q CA 0.100 55.896 55.803 -0.011 0.000 0.987 357 Q CB 1.061 29.790 28.738 -0.015 0.000 1.161 357 Q HN 0.461 nan 8.270 nan 0.000 0.480 358 G N 1.451 110.238 108.800 -0.022 0.000 2.198 358 G HA2 -0.276 3.684 3.960 0.001 0.000 0.260 358 G HA3 -0.276 3.684 3.960 0.001 0.000 0.260 358 G C 0.482 175.350 174.900 -0.054 0.000 1.025 358 G CA 0.377 45.460 45.100 -0.028 0.000 0.769 358 G HN 0.375 nan 8.290 nan 0.000 0.507 359 L N -0.696 120.487 121.223 -0.067 0.000 2.567 359 L HA 0.199 4.539 4.340 0.001 0.000 0.225 359 L C 1.007 177.792 176.870 -0.142 0.000 1.119 359 L CA 0.090 54.871 54.840 -0.098 0.000 0.871 359 L CB 0.394 42.412 42.059 -0.068 0.000 1.036 359 L HN 0.162 nan 8.230 nan 0.000 0.459 360 V N 1.192 121.029 119.914 -0.129 0.000 2.406 360 V HA 0.107 4.228 4.120 0.001 0.000 0.272 360 V C 1.024 177.006 176.094 -0.187 0.000 1.043 360 V CA -0.050 62.159 62.300 -0.152 0.000 0.915 360 V CB 1.847 33.586 31.823 -0.140 0.000 0.988 360 V HN 0.211 nan 8.190 nan 0.000 0.466 361 L N 4.543 125.640 121.223 -0.210 0.000 2.590 361 L HA 0.370 4.710 4.340 0.001 0.000 0.227 361 L C 0.003 176.875 176.870 0.004 0.000 1.099 361 L CA 0.421 55.151 54.840 -0.184 0.000 0.872 361 L CB 0.240 42.018 42.059 -0.469 0.000 1.088 361 L HN 0.699 nan 8.230 nan 0.000 0.479 362 Y N 0.355 120.557 120.300 -0.163 0.000 2.687 362 Y HA 0.388 4.938 4.550 0.001 0.000 0.338 362 Y C -1.127 174.787 175.900 0.023 0.000 1.189 362 Y CA -1.520 56.544 58.100 -0.059 0.000 1.097 362 Y CB 0.931 39.428 38.460 0.061 0.000 1.342 362 Y HN 0.159 nan 8.280 nan 0.000 0.461 363 H N 0.762 119.185 119.070 -1.078 0.000 2.950 363 H HA 0.678 5.235 4.556 0.001 0.000 0.307 363 H C -1.907 173.001 175.328 -0.700 0.000 1.403 363 H CA -0.739 54.898 56.048 -0.686 0.000 1.145 363 H CB 1.343 30.917 29.762 -0.314 0.000 1.844 363 H HN 0.886 nan 8.280 nan 0.000 0.515 364 Q N 1.985 121.640 119.800 -0.242 0.000 2.626 364 Q HA 0.312 4.652 4.340 0.001 0.000 0.239 364 Q C -0.690 175.168 176.000 -0.237 0.000 1.101 364 Q CA -0.796 54.922 55.803 -0.141 0.000 0.918 364 Q CB -0.556 28.140 28.738 -0.072 0.000 1.151 364 Q HN 0.473 nan 8.270 nan 0.000 0.531 388 E N 0.749 121.069 120.200 0.200 0.000 2.290 388 E HA 0.245 4.596 4.350 0.001 0.000 0.199 388 E C -0.092 176.527 176.600 0.031 0.000 0.912 388 E CA 0.124 56.596 56.400 0.120 0.000 0.924 388 E CB 0.841 30.639 29.700 0.164 0.000 0.901 388 E HN 0.401 nan 8.360 nan 0.000 0.487 389 R N 0.358 120.844 120.500 -0.023 0.000 2.740 389 R HA 0.529 4.870 4.340 0.001 0.000 0.282 389 R C -0.782 175.317 176.300 -0.336 0.000 0.969 389 R CA -0.493 55.491 56.100 -0.195 0.000 0.918 389 R CB 2.157 32.305 30.300 -0.254 0.000 1.175 389 R HN -0.152 nan 8.270 nan 0.000 0.464 390 S N 2.662 118.167 115.700 -0.325 0.000 2.381 390 S HA 0.351 4.821 4.470 0.001 0.000 0.193 390 S C -1.307 173.273 174.600 -0.033 0.000 1.287 390 S CA -0.745 57.296 58.200 -0.265 0.000 1.199 390 S CB 0.093 63.198 63.200 -0.158 0.000 1.214 390 S HN 0.383 nan 8.310 nan 0.000 0.444 391 F N 3.712 123.725 119.950 0.105 0.000 2.467 391 F HA 0.552 5.080 4.527 0.001 0.000 0.362 391 F C 1.113 177.013 175.800 0.166 0.000 1.090 391 F CA -1.397 56.700 58.000 0.161 0.000 1.202 391 F CB -0.071 39.094 39.000 0.275 0.000 1.113 391 F HN 0.623 nan 8.300 nan 0.000 0.541 392 C N 3.146 122.606 119.300 0.267 0.000 3.236 392 C HA 0.850 5.311 4.460 0.001 0.000 0.312 392 C C -0.677 174.335 174.990 0.036 0.000 1.374 392 C CA -1.314 57.817 59.018 0.188 0.000 1.455 392 C CB 1.299 29.102 27.740 0.105 0.000 1.834 392 C HN 0.700 nan 8.230 nan 0.000 0.460 393 I N 2.162 122.740 120.570 0.013 0.000 2.389 393 I HA 0.507 4.678 4.170 0.001 0.000 0.288 393 I C -0.500 175.490 176.117 -0.211 0.000 0.999 393 I CA -0.306 60.886 61.300 -0.180 0.000 1.129 393 I CB 1.301 39.130 38.000 -0.285 0.000 1.288 393 I HN 0.541 nan 8.210 nan 0.000 0.444 394 L N 4.791 125.881 121.223 -0.222 0.000 2.319 394 L HA 0.681 5.022 4.340 0.001 0.000 0.267 394 L C 0.508 177.194 176.870 -0.305 0.000 1.011 394 L CA -0.881 53.827 54.840 -0.220 0.000 0.818 394 L CB 1.920 43.911 42.059 -0.114 0.000 1.316 394 L HN 0.607 nan 8.230 nan 0.000 0.432 395 G N 1.671 110.270 108.800 -0.335 0.000 2.356 395 G HA2 0.448 4.409 3.960 0.001 0.000 0.312 395 G HA3 0.448 4.409 3.960 0.001 0.000 0.312 395 G C -0.911 173.911 174.900 -0.131 0.000 1.096 395 G CA -0.356 44.507 45.100 -0.396 0.000 0.950 395 G HN 0.354 nan 8.290 nan 0.000 0.428 396 L N 5.711 126.919 121.223 -0.025 0.000 2.363 396 L HA 0.390 4.730 4.340 0.001 0.000 0.286 396 L C -2.066 174.882 176.870 0.131 0.000 1.106 396 L CA -2.269 52.599 54.840 0.046 0.000 0.859 396 L CB 0.619 42.707 42.059 0.047 0.000 1.223 396 L HN 0.190 nan 8.230 nan 0.000 0.446 397 P HA 0.075 nan 4.420 nan 0.000 0.262 397 P C -1.229 176.137 177.300 0.111 0.000 1.182 397 P CA 0.324 63.510 63.100 0.143 0.000 0.761 397 P CB 0.419 32.173 31.700 0.091 0.000 0.795 398 Q N 3.517 123.385 119.800 0.113 0.000 2.416 398 Q HA 0.452 4.793 4.340 0.001 0.000 0.281 398 Q C -2.589 173.436 176.000 0.043 0.000 1.067 398 Q CA -2.181 53.664 55.803 0.071 0.000 0.809 398 Q CB 1.677 30.461 28.738 0.077 0.000 1.418 398 Q HN 0.259 nan 8.270 nan 0.000 0.411 399 P HA 0.070 nan 4.420 nan 0.000 0.272 399 P C -0.665 176.635 177.300 -0.000 0.000 1.230 399 P CA 0.192 63.299 63.100 0.012 0.000 0.788 399 P CB 0.434 32.140 31.700 0.011 0.000 0.949 400 Q N -0.085 119.709 119.800 -0.010 0.000 2.173 400 Q HA 0.652 4.992 4.340 0.001 0.000 0.186 400 Q C 0.164 176.154 176.000 -0.017 0.000 1.018 400 Q CA -0.200 55.589 55.803 -0.023 0.000 1.064 400 Q CB -0.713 28.006 28.738 -0.032 0.000 1.130 400 Q HN 0.633 nan 8.270 nan 0.000 0.553 401 Q N -0.929 118.858 119.800 -0.022 0.000 2.274 401 Q HA 0.773 5.113 4.340 0.001 0.000 0.260 401 Q C 0.209 176.201 176.000 -0.015 0.000 0.974 401 Q CA -0.389 55.404 55.803 -0.015 0.000 0.876 401 Q CB 1.269 29.997 28.738 -0.017 0.000 1.297 401 Q HN 1.848 nan 8.270 nan 0.000 0.446 407 A N -0.896 121.918 122.820 -0.009 0.000 3.969 407 A HA 1.022 5.342 4.320 0.001 0.000 0.168 407 A C -0.624 176.953 177.584 -0.011 0.000 0.806 407 A CA 0.476 52.507 52.037 -0.010 0.000 0.871 407 A CB -0.191 18.802 19.000 -0.011 0.000 1.498 407 A HN 1.849 nan 8.150 nan 0.000 0.779 408 L N 0.162 121.377 121.223 -0.013 0.000 2.362 408 L HA 0.785 5.125 4.340 0.001 0.000 0.275 408 L C -2.454 174.403 176.870 -0.022 0.000 0.998 408 L CA -1.947 52.884 54.840 -0.015 0.000 0.820 408 L CB -0.024 42.028 42.059 -0.012 0.000 1.270 408 L HN 0.599 nan 8.230 nan 0.000 0.415 409 P HA 0.158 nan 4.420 nan 0.000 0.264 409 P C -1.609 175.665 177.300 -0.043 0.000 1.173 409 P CA -0.364 62.712 63.100 -0.039 0.000 0.761 409 P CB 0.363 32.037 31.700 -0.043 0.000 0.794 410 P HA 0.029 nan 4.420 nan 0.000 0.236 410 P C -0.152 177.108 177.300 -0.068 0.000 1.177 410 P CA 0.441 63.508 63.100 -0.054 0.000 0.773 410 P CB 0.035 31.701 31.700 -0.058 0.000 0.878 411 C N -4.254 114.991 119.300 -0.093 0.000 3.037 411 C HA 0.493 4.954 4.460 0.001 0.000 0.335 411 C C -3.184 171.714 174.990 -0.153 0.000 1.333 411 C CA -1.886 57.064 59.018 -0.113 0.000 1.211 411 C CB -0.046 27.604 27.740 -0.151 0.000 1.377 411 C HN -0.102 nan 8.230 nan 0.000 0.451 412 P HA 0.357 nan 4.420 nan 0.000 0.271 412 P C -0.097 176.985 177.300 -0.365 0.000 1.216 412 P CA 0.506 63.521 63.100 -0.141 0.000 0.771 412 P CB 0.644 32.341 31.700 -0.005 0.000 0.864 413 T N 1.760 116.173 114.554 -0.236 0.000 2.743 413 T HA 0.586 4.936 4.350 0.001 0.000 0.293 413 T C -0.471 174.176 174.700 -0.088 0.000 0.945 413 T CA -0.740 61.199 62.100 -0.269 0.000 1.030 413 T CB 0.230 69.025 68.868 -0.122 0.000 0.912 413 T HN 0.564 nan 8.240 nan 0.000 0.483 414 W N 0.885 122.206 121.300 0.034 0.000 3.025 414 W HA 0.656 5.317 4.660 0.001 0.000 0.343 414 W C -1.667 174.873 176.519 0.035 0.000 1.246 414 W CA -1.332 56.030 57.345 0.028 0.000 1.178 414 W CB 1.701 31.176 29.460 0.025 0.000 1.463 414 W HN 0.621 nan 8.180 nan 0.000 0.578 415 K N 1.500 122.210 120.400 0.516 0.000 2.463 415 K HA 0.553 4.874 4.320 0.001 0.000 0.255 415 K C -0.450 176.245 176.600 0.158 0.000 0.942 415 K CA -0.503 56.002 56.287 0.363 0.000 0.814 415 K CB 1.893 34.504 32.500 0.184 0.000 1.122 415 K HN 0.594 nan 8.250 nan 0.000 0.425 416 A N 3.518 126.395 122.820 0.095 0.000 2.491 416 A HA 0.316 4.636 4.320 0.001 0.000 0.261 416 A C -0.471 177.023 177.584 -0.151 0.000 1.101 416 A CA -0.172 51.721 52.037 -0.241 0.000 0.772 416 A CB 0.151 18.913 19.000 -0.397 0.000 1.043 416 A HN 0.422 nan 8.150 nan 0.000 0.501 417 V N 3.719 123.521 119.914 -0.187 0.000 2.604 417 V HA 0.444 4.564 4.120 0.001 0.000 0.305 417 V C 0.370 176.356 176.094 -0.180 0.000 1.043 417 V CA -0.807 61.413 62.300 -0.133 0.000 0.888 417 V CB 1.684 33.468 31.823 -0.065 0.000 0.995 417 V HN 1.025 nan 8.190 nan 0.000 0.429 418 R N 3.092 123.469 120.500 -0.204 0.000 2.340 418 R HA 0.637 4.977 4.340 0.001 0.000 0.300 418 R C -1.316 174.892 176.300 -0.154 0.000 1.069 418 R CA -0.009 55.940 56.100 -0.252 0.000 0.984 418 R CB 1.065 31.146 30.300 -0.364 0.000 1.003 418 R HN 0.543 nan 8.270 nan 0.000 0.459 419 V N 4.036 123.907 119.914 -0.071 0.000 2.709 419 V HA 0.306 4.427 4.120 0.001 0.000 0.308 419 V C -1.248 174.922 176.094 0.126 0.000 1.062 419 V CA -0.885 61.436 62.300 0.036 0.000 0.901 419 V CB 2.247 34.130 31.823 0.101 0.000 1.003 419 V HN 0.809 nan 8.190 nan 0.000 0.425 420 D N 4.283 124.780 120.400 0.161 0.000 2.425 420 D HA 0.575 5.216 4.640 0.001 0.000 0.240 420 D C -0.653 175.771 176.300 0.207 0.000 1.080 420 D CA -0.075 54.100 54.000 0.291 0.000 0.836 420 D CB 1.767 42.772 40.800 0.342 0.000 1.125 420 D HN 0.313 nan 8.370 nan 0.000 0.525 421 L N 1.950 123.271 121.223 0.164 0.000 2.296 421 L HA 0.617 4.958 4.340 0.001 0.000 0.286 421 L C -0.514 176.318 176.870 -0.064 0.000 1.023 421 L CA -1.008 53.880 54.840 0.080 0.000 0.812 421 L CB 1.546 43.650 42.059 0.074 0.000 1.223 421 L HN -0.011 nan 8.230 nan 0.000 0.421 422 V N 4.087 123.902 119.914 -0.165 0.000 2.588 422 V HA 0.428 4.548 4.120 0.001 0.000 0.304 422 V C -0.167 175.849 176.094 -0.131 0.000 1.042 422 V CA -0.653 61.476 62.300 -0.285 0.000 0.877 422 V CB 2.557 33.909 31.823 -0.785 0.000 0.996 422 V HN 0.428 nan 8.190 nan 0.000 0.425 423 V N 3.412 123.298 119.914 -0.047 0.000 2.384 423 V HA 0.600 4.721 4.120 0.001 0.000 0.287 423 V C 0.147 176.284 176.094 0.072 0.000 1.020 423 V CA -0.234 62.086 62.300 0.034 0.000 0.850 423 V CB 1.603 33.460 31.823 0.056 0.000 0.987 423 V HN 0.920 nan 8.190 nan 0.000 0.436 424 T N 6.370 120.997 114.554 0.121 0.000 2.887 424 T HA 0.584 4.935 4.350 0.001 0.000 0.288 424 T C -2.913 171.913 174.700 0.210 0.000 1.021 424 T CA -2.107 60.096 62.100 0.171 0.000 1.000 424 T CB 2.241 71.216 68.868 0.177 0.000 1.034 424 T HN 0.520 nan 8.240 nan 0.000 0.467 425 P HA 0.160 nan 4.420 nan 0.000 0.276 425 P C 0.971 178.407 177.300 0.227 0.000 1.235 425 P CA -0.241 62.969 63.100 0.183 0.000 0.772 425 P CB 1.007 32.800 31.700 0.155 0.000 0.871 426 S N 2.245 118.062 115.700 0.196 0.000 2.434 426 S HA -0.241 4.230 4.470 0.001 0.000 0.243 426 S C 1.762 176.490 174.600 0.215 0.000 1.045 426 S CA 1.896 60.203 58.200 0.178 0.000 1.019 426 S CB -1.585 61.668 63.200 0.089 0.000 0.811 426 S HN 0.495 nan 8.310 nan 0.000 0.485 427 S N 2.117 117.936 115.700 0.199 0.000 2.383 427 S HA -0.138 4.332 4.470 0.001 0.000 0.229 427 S C 1.816 176.583 174.600 0.277 0.000 1.030 427 S CA 1.495 59.821 58.200 0.209 0.000 1.002 427 S CB -0.343 62.962 63.200 0.175 0.000 0.829 427 S HN 0.784 nan 8.310 nan 0.000 0.467 428 Q N -0.836 119.152 119.800 0.313 0.000 2.247 428 Q HA 0.289 4.630 4.340 0.001 0.000 0.211 428 Q C 1.027 177.258 176.000 0.385 0.000 0.861 428 Q CA -0.350 55.692 55.803 0.399 0.000 0.949 428 Q CB -0.097 28.860 28.738 0.365 0.000 1.115 428 Q HN 0.411 nan 8.270 nan 0.000 0.507 429 F N 3.050 123.113 119.950 0.188 0.000 2.082 429 F HA -0.245 4.283 4.527 0.002 0.000 0.298 429 F C -0.964 174.918 175.800 0.137 0.000 1.091 429 F CA 1.883 59.971 58.000 0.145 0.000 1.230 429 F CB -0.961 38.101 39.000 0.104 0.000 0.983 429 F HN 0.089 nan 8.300 nan 0.000 0.485 430 P HA -0.228 nan 4.420 nan 0.000 0.213 430 P C 1.729 178.971 177.300 -0.096 0.000 1.170 430 P CA 2.136 65.220 63.100 -0.026 0.000 0.902 430 P CB -0.321 31.289 31.700 -0.151 0.000 0.789 431 F N -0.690 119.302 119.950 0.071 0.000 2.216 431 F HA -0.122 4.405 4.527 -0.000 0.000 0.300 431 F C 2.399 178.221 175.800 0.038 0.000 1.085 431 F CA 1.129 59.157 58.000 0.045 0.000 1.326 431 F CB -1.136 37.887 39.000 0.039 0.000 1.027 431 F HN -0.099 nan 8.300 nan 0.000 0.497 432 A N -0.132 122.802 122.820 0.189 0.000 1.897 432 A HA -0.092 4.229 4.320 0.001 0.000 0.215 432 A C 2.037 179.673 177.584 0.087 0.000 1.181 432 A CA 1.097 53.217 52.037 0.139 0.000 0.620 432 A CB -0.933 18.085 19.000 0.030 0.000 0.821 432 A HN 0.309 nan 8.150 nan 0.000 0.443 433 L N -0.654 120.477 121.223 -0.153 0.000 2.083 433 L HA -0.097 4.244 4.340 0.001 0.000 0.209 433 L C 2.217 179.121 176.870 0.058 0.000 1.083 433 L CA 1.841 56.593 54.840 -0.147 0.000 0.752 433 L CB -0.609 41.264 42.059 -0.308 0.000 0.899 433 L HN 0.369 nan 8.230 nan 0.000 0.433 434 L N -0.441 120.837 121.223 0.092 0.000 2.027 434 L HA 0.018 4.359 4.340 0.001 0.000 0.206 434 L C 2.333 179.292 176.870 0.149 0.000 1.074 434 L CA 2.105 57.041 54.840 0.160 0.000 0.745 434 L CB -1.383 40.772 42.059 0.159 0.000 0.898 434 L HN 0.276 nan 8.230 nan 0.000 0.433 435 G N -1.540 107.339 108.800 0.131 0.000 2.422 435 G HA2 -0.297 3.663 3.960 0.001 0.000 0.218 435 G HA3 -0.297 3.663 3.960 0.001 0.000 0.218 435 G C 1.001 175.852 174.900 -0.082 0.000 1.146 435 G CA 0.712 45.834 45.100 0.038 0.000 0.769 435 G HN 0.550 nan 8.290 nan 0.000 0.547 436 W N 0.711 122.023 121.300 0.019 0.000 3.256 436 W HA 0.307 4.967 4.660 0.001 0.000 0.269 436 W C 2.281 178.808 176.519 0.013 0.000 1.310 436 W CA 0.588 57.945 57.345 0.020 0.000 1.673 436 W CB 0.204 29.674 29.460 0.017 0.000 1.115 436 W HN 0.018 nan 8.180 nan 0.000 0.686 437 T N -0.982 113.655 114.554 0.138 0.000 3.035 437 T HA 0.312 4.662 4.350 0.001 0.000 0.259 437 T C 1.241 175.948 174.700 0.011 0.000 1.078 437 T CA 1.223 63.370 62.100 0.078 0.000 1.132 437 T CB -0.310 68.594 68.868 0.060 0.000 0.900 437 T HN 0.227 nan 8.240 nan 0.000 0.480 438 G N 1.631 110.438 108.800 0.013 0.000 2.681 438 G HA2 -0.181 3.780 3.960 0.001 0.000 0.220 438 G HA3 -0.181 3.780 3.960 0.001 0.000 0.220 438 G C 0.107 174.986 174.900 -0.036 0.000 1.353 438 G CA -0.389 44.713 45.100 0.003 0.000 0.872 438 G HN 0.909 nan 8.290 nan 0.000 0.557 439 S N -0.866 114.830 115.700 -0.007 0.000 2.624 439 S HA 0.414 4.884 4.470 0.001 0.000 0.263 439 S C 1.523 176.178 174.600 0.091 0.000 1.287 439 S CA 0.896 59.122 58.200 0.043 0.000 0.990 439 S CB 1.500 64.736 63.200 0.060 0.000 0.950 439 S HN 1.336 nan 8.310 nan 0.000 0.561 440 Q N 0.054 119.872 119.800 0.030 0.000 2.029 440 Q HA -0.241 4.100 4.340 0.001 0.000 0.209 440 Q C 1.771 177.803 176.000 0.054 0.000 0.999 440 Q CA 2.102 57.906 55.803 0.002 0.000 0.857 440 Q CB -0.420 28.304 28.738 -0.023 0.000 0.926 440 Q HN 0.845 nan 8.270 nan 0.000 0.415 441 F N 0.275 120.207 119.950 -0.030 0.000 2.269 441 F HA -0.146 4.382 4.527 0.001 0.000 0.301 441 F C 1.711 177.516 175.800 0.008 0.000 1.082 441 F CA 1.045 59.022 58.000 -0.038 0.000 1.360 441 F CB -0.343 38.626 39.000 -0.053 0.000 1.041 441 F HN 0.232 nan 8.300 nan 0.000 0.512 442 F N 1.335 121.205 119.950 -0.134 0.000 2.113 442 F HA -0.154 4.373 4.527 0.000 0.000 0.297 442 F C 2.328 177.989 175.800 -0.232 0.000 1.103 442 F CA 1.818 59.706 58.000 -0.188 0.000 1.248 442 F CB -0.479 38.480 39.000 -0.068 0.000 0.999 442 F HN -0.095 nan 8.300 nan 0.000 0.475 443 E N 0.546 120.693 120.200 -0.089 0.000 2.058 443 E HA -0.225 4.126 4.350 0.001 0.000 0.194 443 E C 2.319 178.757 176.600 -0.271 0.000 0.997 443 E CA 1.435 57.729 56.400 -0.177 0.000 0.801 443 E CB -0.578 29.060 29.700 -0.104 0.000 0.746 443 E HN 0.496 nan 8.360 nan 0.000 0.450 444 R N 0.663 120.993 120.500 -0.285 0.000 2.091 444 R HA -0.107 4.234 4.340 0.001 0.000 0.238 444 R C 2.272 178.362 176.300 -0.350 0.000 1.136 444 R CA 1.075 57.000 56.100 -0.292 0.000 0.959 444 R CB -0.079 30.058 30.300 -0.271 0.000 0.856 444 R HN 0.147 nan 8.270 nan 0.000 0.437 445 E N 0.662 120.539 120.200 -0.538 0.000 2.107 445 E HA -0.141 4.209 4.350 0.001 0.000 0.191 445 E C 2.008 178.461 176.600 -0.245 0.000 0.982 445 E CA 0.658 56.809 56.400 -0.415 0.000 0.809 445 E CB -0.164 29.159 29.700 -0.628 0.000 0.756 445 E HN 0.143 nan 8.360 nan 0.000 0.459 446 L N 1.428 122.375 121.223 -0.460 0.000 2.046 446 L HA -0.152 4.189 4.340 0.001 0.000 0.208 446 L C 2.236 178.974 176.870 -0.221 0.000 1.077 446 L CA 1.741 56.312 54.840 -0.448 0.000 0.747 446 L CB -0.165 41.510 42.059 -0.640 0.000 0.896 446 L HN -0.068 nan 8.230 nan 0.000 0.432 447 R N -1.136 119.241 120.500 -0.205 0.000 2.090 447 R HA -0.077 4.263 4.340 0.001 0.000 0.228 447 R C 2.398 178.626 176.300 -0.121 0.000 1.110 447 R CA 1.145 57.154 56.100 -0.152 0.000 0.973 447 R CB -0.369 29.837 30.300 -0.157 0.000 0.869 447 R HN 0.340 nan 8.270 nan 0.000 0.440 448 R N 0.295 120.748 120.500 -0.078 0.000 2.092 448 R HA -0.129 4.211 4.340 0.001 0.000 0.231 448 R C 1.904 178.252 176.300 0.080 0.000 1.119 448 R CA 1.224 57.326 56.100 0.004 0.000 0.970 448 R CB -0.204 30.125 30.300 0.047 0.000 0.864 448 R HN 0.162 nan 8.270 nan 0.000 0.440 449 F N 0.680 120.547 119.950 -0.139 0.000 2.098 449 F HA -0.098 4.429 4.527 0.000 0.000 0.294 449 F C 2.470 178.067 175.800 -0.337 0.000 1.107 449 F CA 1.768 59.445 58.000 -0.538 0.000 1.234 449 F CB -0.757 37.764 39.000 -0.798 0.000 1.002 449 F HN -0.014 nan 8.300 nan 0.000 0.472 450 S N 0.133 115.727 115.700 -0.175 0.000 2.392 450 S HA -0.291 4.179 4.470 0.001 0.000 0.232 450 S C 2.265 176.732 174.600 -0.222 0.000 1.041 450 S CA 1.859 59.937 58.200 -0.203 0.000 1.026 450 S CB -0.449 62.687 63.200 -0.106 0.000 0.845 450 S HN 0.598 nan 8.310 nan 0.000 0.465 451 R N 0.007 120.391 120.500 -0.193 0.000 2.039 451 R HA 0.129 4.470 4.340 0.001 0.000 0.218 451 R C 2.429 178.636 176.300 -0.155 0.000 1.220 451 R CA 0.930 56.941 56.100 -0.148 0.000 0.993 451 R CB -0.638 29.552 30.300 -0.184 0.000 0.881 451 R HN 0.385 nan 8.270 nan 0.000 0.450 452 Q N -0.133 119.585 119.800 -0.137 0.000 2.297 452 Q HA -0.146 4.194 4.340 0.001 0.000 0.208 452 Q C 1.262 177.156 176.000 -0.175 0.000 0.981 452 Q CA 1.186 56.932 55.803 -0.095 0.000 0.876 452 Q CB 0.198 28.944 28.738 0.014 0.000 0.921 452 Q HN 0.433 nan 8.270 nan 0.000 0.446 453 E N -0.046 119.916 120.200 -0.397 0.000 2.372 453 E HA 0.083 4.433 4.350 0.001 0.000 0.201 453 E C 0.489 176.817 176.600 -0.454 0.000 0.938 453 E CA 0.537 56.615 56.400 -0.538 0.000 0.944 453 E CB 0.628 29.626 29.700 -1.171 0.000 0.937 453 E HN 0.183 nan 8.360 nan 0.000 0.495 454 K N 0.268 120.416 120.400 -0.420 0.000 3.012 454 K HA 0.234 4.555 4.320 0.001 0.000 0.207 454 K C 0.264 176.792 176.600 -0.121 0.000 1.130 454 K CA 0.114 56.246 56.287 -0.258 0.000 1.021 454 K CB 1.418 33.739 32.500 -0.299 0.000 0.736 454 K HN 0.083 nan 8.250 nan 0.000 0.448 455 G N 2.031 110.783 108.800 -0.081 0.000 2.447 455 G HA2 -0.273 3.688 3.960 0.001 0.000 0.293 455 G HA3 -0.273 3.688 3.960 0.001 0.000 0.293 455 G C -0.055 174.918 174.900 0.121 0.000 0.894 455 G CA 0.848 45.963 45.100 0.026 0.000 1.066 455 G HN 0.273 nan 8.290 nan 0.000 0.503 456 L N -2.124 119.165 121.223 0.110 0.000 2.354 456 L HA 0.668 5.009 4.340 0.001 0.000 0.264 456 L C -0.523 176.532 176.870 0.308 0.000 1.008 456 L CA -1.358 53.620 54.840 0.230 0.000 0.819 456 L CB 1.650 43.776 42.059 0.111 0.000 1.339 456 L HN 0.104 nan 8.230 nan 0.000 0.420 457 W N 3.394 124.717 121.300 0.039 0.000 2.283 457 W HA 0.518 5.178 4.660 0.001 0.000 0.317 457 W C -0.534 175.946 176.519 -0.064 0.000 1.042 457 W CA -0.477 56.892 57.345 0.041 0.000 1.348 457 W CB 1.058 30.615 29.460 0.162 0.000 1.216 457 W HN 0.064 nan 8.180 nan 0.000 0.404 458 L N 5.863 127.114 121.223 0.046 0.000 2.317 458 L HA 0.630 4.970 4.340 0.001 0.000 0.281 458 L C -0.382 176.466 176.870 -0.036 0.000 1.024 458 L CA -0.213 54.587 54.840 -0.066 0.000 0.810 458 L CB 0.765 42.789 42.059 -0.059 0.000 1.240 458 L HN 0.535 nan 8.230 nan 0.000 0.427 459 N N 0.316 118.980 118.700 -0.060 0.000 3.316 459 N HA 0.336 5.077 4.740 0.001 0.000 0.300 459 N C 0.160 175.684 175.510 0.022 0.000 1.567 459 N CA -0.226 52.840 53.050 0.027 0.000 0.821 459 N CB 0.472 39.061 38.487 0.170 0.000 1.748 459 N HN 0.368 nan 8.380 nan 0.000 0.603 460 S N -1.756 113.951 115.700 0.012 0.000 2.469 460 S HA -0.141 4.330 4.470 0.001 0.000 0.238 460 S C 0.813 175.393 174.600 -0.032 0.000 0.998 460 S CA 1.102 59.306 58.200 0.008 0.000 0.957 460 S CB -0.866 62.343 63.200 0.016 0.000 0.764 460 S HN 0.643 nan 8.310 nan 0.000 0.514 461 H N 1.304 120.459 119.070 0.142 0.000 2.361 461 H HA 0.538 5.094 4.556 0.000 0.000 0.308 461 H C 1.326 176.524 175.328 -0.216 0.000 1.053 461 H CA 0.693 56.811 56.048 0.117 0.000 1.377 461 H CB 0.020 29.912 29.762 0.216 0.000 1.434 461 H HN 0.573 nan 8.280 nan 0.000 0.548 462 G N -0.595 107.839 108.800 -0.610 0.000 2.441 462 G HA2 0.363 4.323 3.960 0.001 0.000 0.294 462 G HA3 0.363 4.323 3.960 0.001 0.000 0.294 462 G C -2.115 171.626 174.900 -1.932 0.000 1.393 462 G CA -0.941 42.932 45.100 -2.045 0.000 0.796 462 G HN 0.128 nan 8.290 nan 0.000 0.494 463 L N 0.108 120.412 121.223 -1.532 0.000 2.307 463 L HA 0.886 5.226 4.340 0.001 0.000 0.282 463 L C -1.321 175.203 176.870 -0.577 0.000 1.051 463 L CA -0.952 53.485 54.840 -0.672 0.000 0.804 463 L CB 0.546 42.617 42.059 0.020 0.000 1.197 463 L HN 0.347 nan 8.230 nan 0.000 0.431 464 F N 1.093 121.150 119.950 0.178 0.000 2.576 464 F HA 0.560 5.087 4.527 0.000 0.000 0.313 464 F C 0.361 176.242 175.800 0.136 0.000 1.078 464 F CA -0.927 57.131 58.000 0.097 0.000 0.921 464 F CB 1.042 40.023 39.000 -0.032 0.000 1.232 464 F HN 0.488 nan 8.300 nan 0.000 0.459 465 D N 2.717 123.251 120.400 0.224 0.000 2.274 465 D HA 0.421 5.061 4.640 0.001 0.000 0.239 465 D C -1.743 174.535 176.300 -0.037 0.000 1.104 465 D CA -1.768 52.316 54.000 0.139 0.000 0.840 465 D CB 1.215 42.075 40.800 0.100 0.000 1.100 465 D HN 0.340 nan 8.370 nan 0.000 0.477 466 P HA -0.181 nan 4.420 nan 0.000 0.214 466 P C 1.568 178.792 177.300 -0.127 0.000 1.163 466 P CA 2.195 65.167 63.100 -0.212 0.000 0.883 466 P CB 0.063 31.717 31.700 -0.076 0.000 0.788 467 E N 0.085 120.257 120.200 -0.048 0.000 2.333 467 E HA -0.201 4.149 4.350 0.001 0.000 0.198 467 E C 1.297 177.860 176.600 -0.062 0.000 1.007 467 E CA 1.467 57.844 56.400 -0.040 0.000 0.845 467 E CB -1.280 28.417 29.700 -0.006 0.000 0.766 467 E HN 0.493 nan 8.360 nan 0.000 0.507 468 Q N -3.806 115.947 119.800 -0.077 0.000 2.489 468 Q HA -0.243 4.098 4.340 0.001 0.000 0.259 468 Q C 1.441 177.388 176.000 -0.088 0.000 0.934 468 Q CA 0.963 56.705 55.803 -0.101 0.000 1.131 468 Q CB -2.596 26.073 28.738 -0.116 0.000 1.472 468 Q HN 0.717 nan 8.270 nan 0.000 0.560 469 K N -0.112 120.253 120.400 -0.059 0.000 2.487 469 K HA 0.390 4.710 4.320 0.001 0.000 0.192 469 K C 0.684 177.239 176.600 -0.075 0.000 1.027 469 K CA 1.580 57.840 56.287 -0.045 0.000 1.054 469 K CB -0.019 32.478 32.500 -0.005 0.000 0.824 469 K HN 0.594 nan 8.250 nan 0.000 0.510 470 R N -1.677 118.718 120.500 -0.174 0.000 2.629 470 R HA 0.777 5.117 4.340 0.001 0.000 0.266 470 R C -1.093 174.791 176.300 -0.693 0.000 1.051 470 R CA -0.043 55.835 56.100 -0.371 0.000 0.895 470 R CB 0.135 30.241 30.300 -0.322 0.000 1.246 470 R HN 0.964 nan 8.270 nan 0.000 0.459 471 V N 1.801 121.338 119.914 -0.627 0.000 2.444 471 V HA 0.900 5.020 4.120 0.001 0.000 0.294 471 V C -0.923 174.921 176.094 -0.416 0.000 1.022 471 V CA -1.163 60.844 62.300 -0.488 0.000 0.850 471 V CB 1.323 33.045 31.823 -0.168 0.000 0.992 471 V HN 0.719 nan 8.190 nan 0.000 0.426 472 F N 3.059 123.072 119.950 0.105 0.000 2.450 472 F HA 0.836 5.364 4.527 0.001 0.000 0.332 472 F C 0.303 176.183 175.800 0.133 0.000 1.093 472 F CA -0.948 57.164 58.000 0.187 0.000 1.003 472 F CB 1.577 40.684 39.000 0.179 0.000 1.151 472 F HN 0.648 nan 8.300 nan 0.000 0.474 473 H N 0.250 119.554 119.070 0.390 0.000 2.710 473 H HA 0.865 5.422 4.556 0.000 0.000 0.361 473 H C -0.950 174.528 175.328 0.250 0.000 1.175 473 H CA -1.277 54.959 56.048 0.313 0.000 1.206 473 H CB 1.824 31.707 29.762 0.202 0.000 1.750 473 H HN 0.756 nan 8.280 nan 0.000 0.553 474 A N 0.640 123.634 122.820 0.290 0.000 2.437 474 A HA 0.438 4.759 4.320 0.001 0.000 0.293 474 A C 0.355 177.977 177.584 0.063 0.000 1.038 474 A CA -0.559 51.508 52.037 0.050 0.000 0.708 474 A CB 1.035 19.816 19.000 -0.365 0.000 1.251 474 A HN 0.745 nan 8.150 nan 0.000 0.409 475 T N 1.026 115.609 114.554 0.048 0.000 2.781 475 T HA 0.165 4.516 4.350 0.001 0.000 0.252 475 T C 1.124 175.854 174.700 0.050 0.000 1.039 475 T CA 1.702 63.836 62.100 0.056 0.000 1.147 475 T CB -0.182 68.707 68.868 0.036 0.000 0.865 475 T HN 1.285 nan 8.240 nan 0.000 0.423 476 S N -0.315 115.394 115.700 0.014 0.000 2.720 476 S HA 0.452 4.922 4.470 0.001 0.000 0.287 476 S C 0.511 175.111 174.600 0.000 0.000 1.168 476 S CA -0.925 57.292 58.200 0.029 0.000 0.832 476 S CB 1.773 64.982 63.200 0.014 0.000 1.166 476 S HN 0.227 nan 8.310 nan 0.000 0.493 477 E N 0.929 121.162 120.200 0.055 0.000 2.049 477 E HA -0.242 4.108 4.350 0.001 0.000 0.198 477 E C 1.570 178.298 176.600 0.212 0.000 1.007 477 E CA 2.028 58.530 56.400 0.171 0.000 0.809 477 E CB -0.396 29.491 29.700 0.312 0.000 0.749 477 E HN 0.734 nan 8.360 nan 0.000 0.450 478 E N 1.027 121.189 120.200 -0.063 0.000 2.169 478 E HA -0.234 4.116 4.350 0.001 0.000 0.202 478 E C 1.607 178.234 176.600 0.045 0.000 1.016 478 E CA 1.827 58.117 56.400 -0.183 0.000 0.817 478 E CB -0.221 29.186 29.700 -0.489 0.000 0.736 478 E HN 0.326 nan 8.360 nan 0.000 0.462 479 D N -0.505 119.903 120.400 0.013 0.000 2.117 479 D HA -0.126 4.514 4.640 0.001 0.000 0.197 479 D C 1.843 178.166 176.300 0.037 0.000 0.987 479 D CA 1.086 55.097 54.000 0.018 0.000 0.829 479 D CB -0.159 40.635 40.800 -0.009 0.000 0.961 479 D HN 0.042 nan 8.370 nan 0.000 0.460 480 V N 0.231 120.160 119.914 0.025 0.000 2.358 480 V HA -0.219 3.901 4.120 0.001 0.000 0.246 480 V C 1.930 178.058 176.094 0.056 0.000 1.047 480 V CA 1.308 63.594 62.300 -0.023 0.000 1.035 480 V CB -0.591 31.159 31.823 -0.120 0.000 0.658 480 V HN 0.109 nan 8.190 nan 0.000 0.452 481 F N 1.135 121.111 119.950 0.044 0.000 2.102 481 F HA -0.152 4.375 4.527 0.000 0.000 0.298 481 F C 2.817 178.644 175.800 0.044 0.000 1.105 481 F CA 2.142 60.188 58.000 0.076 0.000 1.239 481 F CB -0.955 38.154 39.000 0.182 0.000 0.991 481 F HN 0.095 nan 8.300 nan 0.000 0.474 482 R N 0.251 120.887 120.500 0.227 0.000 2.081 482 R HA -0.114 4.227 4.340 0.001 0.000 0.235 482 R C 1.963 178.297 176.300 0.057 0.000 1.131 482 R CA 1.640 57.811 56.100 0.119 0.000 0.960 482 R CB -1.672 28.675 30.300 0.077 0.000 0.856 482 R HN 0.341 nan 8.270 nan 0.000 0.436 483 L N 0.571 121.810 121.223 0.027 0.000 1.989 483 L HA -0.014 4.327 4.340 0.001 0.000 0.211 483 L C 2.906 179.724 176.870 -0.088 0.000 1.071 483 L CA 2.522 57.331 54.840 -0.051 0.000 0.749 483 L CB -0.580 41.435 42.059 -0.072 0.000 0.890 483 L HN 0.387 nan 8.230 nan 0.000 0.431 484 L N -1.335 119.853 121.223 -0.059 0.000 2.465 484 L HA 0.384 4.725 4.340 0.001 0.000 0.224 484 L C 1.631 178.533 176.870 0.053 0.000 1.145 484 L CA 0.899 55.714 54.840 -0.043 0.000 0.834 484 L CB -2.168 39.856 42.059 -0.057 0.000 0.944 484 L HN 0.757 nan 8.230 nan 0.000 0.451 485 G N -0.482 108.353 108.800 0.058 0.000 2.255 485 G HA2 -0.074 3.886 3.960 0.001 0.000 0.239 485 G HA3 -0.074 3.886 3.960 0.001 0.000 0.239 485 G C -0.323 174.640 174.900 0.105 0.000 1.083 485 G CA 0.227 45.381 45.100 0.090 0.000 0.826 485 G HN 0.837 nan 8.290 nan 0.000 0.493 486 L N -0.763 120.526 121.223 0.110 0.000 2.408 486 L HA 0.600 4.941 4.340 0.001 0.000 0.268 486 L C 0.301 177.316 176.870 0.241 0.000 0.986 486 L CA -1.510 53.397 54.840 0.112 0.000 0.820 486 L CB 1.984 44.065 42.059 0.037 0.000 1.303 486 L HN 0.083 nan 8.230 nan 0.000 0.411 487 K N 2.001 122.500 120.400 0.166 0.000 2.451 487 K HA 0.019 4.339 4.320 0.001 0.000 0.280 487 K C -0.679 176.027 176.600 0.176 0.000 1.020 487 K CA 0.132 56.508 56.287 0.148 0.000 1.008 487 K CB 0.187 32.734 32.500 0.079 0.000 0.917 487 K HN 0.358 nan 8.250 nan 0.000 0.478 488 Y N 4.612 124.867 120.300 -0.074 0.000 2.712 488 Y HA 0.184 4.734 4.550 0.001 0.000 0.333 488 Y C -0.799 174.823 175.900 -0.464 0.000 1.225 488 Y CA 0.357 58.162 58.100 -0.492 0.000 1.499 488 Y CB 0.291 38.520 38.460 -0.384 0.000 1.288 488 Y HN 0.514 nan 8.280 nan 0.000 0.575 489 L N 9.540 129.852 121.223 -1.519 0.000 2.349 489 L HA 0.456 4.796 4.340 0.001 0.000 0.278 489 L C -2.153 173.884 176.870 -1.389 0.000 0.996 489 L CA -2.152 52.108 54.840 -0.967 0.000 0.825 489 L CB 2.022 43.892 42.059 -0.316 0.000 1.243 489 L HN 0.578 nan 8.230 nan 0.000 0.412 490 P HA 0.219 nan 4.420 nan 0.000 0.275 490 P C -2.440 174.634 177.300 -0.377 0.000 1.266 490 P CA -1.436 61.304 63.100 -0.600 0.000 0.793 490 P CB 0.572 32.139 31.700 -0.222 0.000 1.074 491 P HA -0.208 nan 4.420 nan 0.000 0.215 491 P C 1.150 178.337 177.300 -0.188 0.000 1.163 491 P CA 1.864 64.857 63.100 -0.179 0.000 0.894 491 P CB -0.360 31.298 31.700 -0.071 0.000 0.791 492 E N -0.663 119.461 120.200 -0.127 0.000 2.393 492 E HA -0.183 4.167 4.350 0.001 0.000 0.201 492 E C 1.278 177.806 176.600 -0.120 0.000 1.025 492 E CA 0.916 57.256 56.400 -0.100 0.000 0.856 492 E CB -0.818 28.845 29.700 -0.061 0.000 0.771 492 E HN 0.377 nan 8.360 nan 0.000 0.526 493 Q N -0.365 119.328 119.800 -0.177 0.000 2.172 493 Q HA 0.226 4.566 4.340 0.001 0.000 0.217 493 Q C 0.467 176.327 176.000 -0.233 0.000 0.832 493 Q CA 0.081 55.787 55.803 -0.161 0.000 1.010 493 Q CB 0.744 29.388 28.738 -0.156 0.000 1.133 493 Q HN 0.247 nan 8.270 nan 0.000 0.489 494 R N 0.387 120.671 120.500 -0.361 0.000 2.546 494 R HA 0.224 4.564 4.340 0.001 0.000 0.320 494 R C 0.018 176.104 176.300 -0.357 0.000 1.021 494 R CA -0.169 55.526 56.100 -0.675 0.000 1.088 494 R CB 0.520 30.147 30.300 -1.123 0.000 1.278 494 R HN 0.051 nan 8.270 nan 0.000 0.557 495 N N 1.781 120.385 118.700 -0.159 0.000 3.303 495 N HA 0.106 4.846 4.740 0.001 0.000 0.304 495 N C -0.293 175.228 175.510 0.017 0.000 1.302 495 N CA 0.085 53.098 53.050 -0.062 0.000 1.213 495 N CB 0.927 39.389 38.487 -0.042 0.000 1.481 495 N HN 0.223 nan 8.380 nan 0.000 0.546 496 A N 0.000 122.880 122.820 0.100 0.000 2.254 496 A HA 0.000 4.320 4.320 0.001 0.000 0.244 496 A CA 0.000 52.168 52.037 0.219 0.000 0.836 496 A CB 0.000 19.260 19.000 0.434 0.000 0.831 496 A HN 0.000 nan 8.150 nan 0.000 0.486