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 2z6h_1_A DATA FIRST_RESID 149 DATA SEQUENCE ATRAIPELTK LLNDEDQVVV NKAAVMVHQL SKKEASRHAI MRSPQMVSAI DATA SEQUENCE VRTMQNTNDV ETARCTAGTL HNLSHHREGL LAIFKSGGIP ALVKMLGSPV DATA SEQUENCE DSVLFYAITT LHNLLLHQEG AKMAVRLAGG LQKMVALLNK TNVKFLAITT DATA SEQUENCE DCLQILAYGN QESKLIILAS GGPQALVNIM RTYTYEKLLW TTSRVLKVLS DATA SEQUENCE VCSSNKPAIV EAGGMQALGL HLTDPSQRLV QNCLWTLRNL SDAATKQEGM DATA SEQUENCE EGLLGTLVQL LGSDDINVVT CAAGILSNLT CNNYKNKMMV CQVGGIEALV DATA SEQUENCE RTVLRAGDRE DITEPAICAL RHLTSRHQEA EMAQNAVRLH YGLPVVVKLL DATA SEQUENCE HPPSHWPLIK ATVGLIRNLA LCPANHAPLR EQGAIPRLVQ LLVRAHQDTQ DATA SEQUENCE RRXXXXXXXX XXVEGVRMEE IVEGCTGALH ILARDVHNRI VIRGLNTIPL DATA SEQUENCE FVQLLYSPIE NIQRVAAGVL CELAQDKEAA EAIEAEGATA PLTELLHSRN DATA SEQUENCE EGVATYAAAV LFRMSEDKPQ DYKKRLSVEL TSSLFRTEPM AWN 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 149 A HA 0.000 nan 4.320 nan 0.000 0.244 149 A C 0.000 177.588 177.584 0.006 0.000 1.274 149 A CA 0.000 52.041 52.037 0.006 0.000 0.836 149 A CB 0.000 19.006 19.000 0.011 0.000 0.831 150 T N -0.034 114.522 114.554 0.003 0.000 2.653 150 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 150 T C 1.636 176.339 174.700 0.005 0.000 1.037 150 T CA 2.170 64.272 62.100 0.003 0.000 1.159 150 T CB -0.239 68.628 68.868 -0.002 0.000 0.859 150 T HN 0.373 nan 8.240 nan 0.000 0.449 151 R N -0.084 120.419 120.500 0.004 0.000 2.616 151 R HA 0.592 4.932 4.340 -0.000 0.000 0.427 151 R C 1.322 177.625 176.300 0.004 0.000 1.030 151 R CA 0.677 56.779 56.100 0.004 0.000 1.133 151 R CB 0.081 30.383 30.300 0.002 0.000 1.444 151 R HN 0.405 nan 8.270 nan 0.000 0.578 152 A N 0.465 123.288 122.820 0.005 0.000 2.252 152 A HA 0.169 4.489 4.320 -0.000 0.000 0.213 152 A C 1.639 179.228 177.584 0.007 0.000 1.188 152 A CA -0.102 51.938 52.037 0.006 0.000 0.863 152 A CB 0.093 19.097 19.000 0.006 0.000 0.893 152 A HN 0.150 nan 8.150 nan 0.000 0.495 153 I N 1.401 121.976 120.570 0.008 0.000 2.113 153 I HA -0.130 4.040 4.170 -0.000 0.000 0.238 153 I C -0.338 175.783 176.117 0.007 0.000 1.070 153 I CA 1.443 62.748 61.300 0.009 0.000 1.332 153 I CB -2.177 35.829 38.000 0.010 0.000 1.044 153 I HN 0.200 nan 8.210 nan 0.000 0.402 154 P HA -0.226 nan 4.420 nan 0.000 0.217 154 P C 1.452 178.755 177.300 0.004 0.000 1.148 154 P CA 1.744 64.846 63.100 0.005 0.000 0.834 154 P CB 0.084 31.786 31.700 0.004 0.000 0.783 155 E N 0.415 120.618 120.200 0.005 0.000 2.028 155 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 155 E C 2.238 178.842 176.600 0.006 0.000 0.988 155 E CA 1.044 57.447 56.400 0.005 0.000 0.799 155 E CB -1.243 28.460 29.700 0.005 0.000 0.755 155 E HN 0.158 nan 8.360 nan 0.000 0.447 156 L N 0.126 121.354 121.223 0.007 0.000 2.042 156 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 156 L C 2.486 179.360 176.870 0.007 0.000 1.076 156 L CA 1.700 56.546 54.840 0.009 0.000 0.749 156 L CB -0.837 41.230 42.059 0.012 0.000 0.893 156 L HN 0.198 nan 8.230 nan 0.000 0.432 157 T N -0.180 114.378 114.554 0.006 0.000 2.665 157 T HA -0.278 4.072 4.350 -0.000 0.000 0.268 157 T C 2.327 177.028 174.700 0.003 0.000 1.035 157 T CA 2.271 64.373 62.100 0.004 0.000 1.151 157 T CB -0.331 68.539 68.868 0.003 0.000 0.862 157 T HN 0.513 nan 8.240 nan 0.000 0.438 158 K N 1.053 121.454 120.400 0.003 0.000 2.103 158 K HA 0.173 4.493 4.320 -0.000 0.000 0.204 158 K C 2.264 178.866 176.600 0.003 0.000 1.052 158 K CA 1.055 57.343 56.287 0.002 0.000 0.945 158 K CB -1.212 31.289 32.500 0.002 0.000 0.722 158 K HN 0.453 nan 8.250 nan 0.000 0.443 159 L N 0.137 121.363 121.223 0.004 0.000 2.083 159 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 159 L C 2.728 179.601 176.870 0.005 0.000 1.083 159 L CA 0.972 55.815 54.840 0.005 0.000 0.752 159 L CB -0.437 41.626 42.059 0.007 0.000 0.899 159 L HN 0.264 nan 8.230 nan 0.000 0.433 160 L N -0.304 120.922 121.223 0.005 0.000 2.093 160 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 160 L C 1.863 178.734 176.870 0.001 0.000 1.085 160 L CA 1.235 56.077 54.840 0.003 0.000 0.755 160 L CB -0.457 41.603 42.059 0.003 0.000 0.904 160 L HN 0.325 nan 8.230 nan 0.000 0.435 161 N N -0.434 118.267 118.700 0.001 0.000 2.550 161 N HA -0.078 4.662 4.740 -0.000 0.000 0.186 161 N C 0.298 175.808 175.510 0.000 0.000 1.110 161 N CA 0.182 53.231 53.050 -0.000 0.000 0.912 161 N CB -0.267 38.220 38.487 -0.001 0.000 0.968 161 N HN 0.290 nan 8.380 nan 0.000 0.448 162 D N -0.339 120.061 120.400 0.001 0.000 2.341 162 D HA 0.054 4.694 4.640 -0.000 0.000 0.235 162 D C 1.216 177.517 176.300 0.001 0.000 1.265 162 D CA 0.949 54.949 54.000 0.001 0.000 0.888 162 D CB 0.525 41.326 40.800 0.002 0.000 1.192 162 D HN 0.356 nan 8.370 nan 0.000 0.462 163 E N 0.635 120.836 120.200 0.001 0.000 2.498 163 E HA 0.094 4.444 4.350 -0.000 0.000 0.203 163 E C -0.174 176.426 176.600 0.001 0.000 1.013 163 E CA -0.085 56.315 56.400 0.000 0.000 0.927 163 E CB 0.235 29.935 29.700 -0.000 0.000 1.012 163 E HN 0.455 nan 8.360 nan 0.000 0.482 164 D N -0.187 120.214 120.400 0.001 0.000 2.329 164 D HA 0.149 4.789 4.640 -0.000 0.000 0.232 164 D C 0.987 177.288 176.300 0.002 0.000 1.088 164 D CA -0.417 53.584 54.000 0.002 0.000 0.835 164 D CB 1.517 42.318 40.800 0.002 0.000 1.078 164 D HN 0.185 nan 8.370 nan 0.000 0.495 165 Q N 2.558 122.359 119.800 0.002 0.000 2.152 165 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 165 Q C 1.373 177.375 176.000 0.004 0.000 0.985 165 Q CA 1.473 57.277 55.803 0.002 0.000 0.863 165 Q CB 0.304 29.042 28.738 0.001 0.000 0.904 165 Q HN 0.469 nan 8.270 nan 0.000 0.422 166 V N -0.541 119.375 119.914 0.004 0.000 2.548 166 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 166 V C 2.127 178.225 176.094 0.007 0.000 1.055 166 V CA 1.144 63.447 62.300 0.005 0.000 1.065 166 V CB -0.060 31.766 31.823 0.005 0.000 0.681 166 V HN 0.243 nan 8.190 nan 0.000 0.462 167 V N -0.484 119.433 119.914 0.006 0.000 2.307 167 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 167 V C 2.461 178.559 176.094 0.008 0.000 1.045 167 V CA 1.998 64.302 62.300 0.006 0.000 1.024 167 V CB -0.219 31.607 31.823 0.005 0.000 0.651 167 V HN 0.436 nan 8.190 nan 0.000 0.449 168 V N 0.854 120.772 119.914 0.006 0.000 2.343 168 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 168 V C 2.260 178.360 176.094 0.010 0.000 1.051 168 V CA 2.892 65.196 62.300 0.007 0.000 1.036 168 V CB -0.738 31.087 31.823 0.004 0.000 0.654 168 V HN 0.766 nan 8.190 nan 0.000 0.451 169 N N -0.003 118.703 118.700 0.010 0.000 2.094 169 N HA -0.220 4.520 4.740 -0.000 0.000 0.191 169 N C 1.839 177.361 175.510 0.021 0.000 1.023 169 N CA 1.893 54.952 53.050 0.015 0.000 0.857 169 N CB -0.198 38.297 38.487 0.013 0.000 1.013 169 N HN 0.388 nan 8.380 nan 0.000 0.426 170 K N 0.321 120.732 120.400 0.018 0.000 2.057 170 K HA 0.007 4.327 4.320 -0.000 0.000 0.206 170 K C 2.062 178.676 176.600 0.023 0.000 1.050 170 K CA 1.186 57.485 56.287 0.020 0.000 0.935 170 K CB -0.855 31.654 32.500 0.015 0.000 0.715 170 K HN 0.335 nan 8.250 nan 0.000 0.439 171 A N 1.689 124.521 122.820 0.019 0.000 1.877 171 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 171 A C 2.471 180.071 177.584 0.028 0.000 1.186 171 A CA 2.170 54.219 52.037 0.020 0.000 0.620 171 A CB -0.716 18.292 19.000 0.014 0.000 0.822 171 A HN 0.299 nan 8.150 nan 0.000 0.443 172 A N -0.473 122.363 122.820 0.026 0.000 1.883 172 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 172 A C 2.238 179.859 177.584 0.062 0.000 1.186 172 A CA 2.020 54.075 52.037 0.030 0.000 0.624 172 A CB -1.092 17.918 19.000 0.016 0.000 0.822 172 A HN 0.457 nan 8.150 nan 0.000 0.444 173 V N -0.027 119.927 119.914 0.067 0.000 2.343 173 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 173 V C 2.650 178.798 176.094 0.089 0.000 1.051 173 V CA 2.262 64.621 62.300 0.097 0.000 1.036 173 V CB -0.757 31.106 31.823 0.068 0.000 0.654 173 V HN 0.569 nan 8.190 nan 0.000 0.451 174 M N -0.654 118.981 119.600 0.058 0.000 2.077 174 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 174 M C 2.290 178.623 176.300 0.054 0.000 1.070 174 M CA 1.645 56.970 55.300 0.043 0.000 1.125 174 M CB -0.615 32.002 32.600 0.029 0.000 1.339 174 M HN 0.237 nan 8.290 nan 0.000 0.409 175 V N -0.193 119.757 119.914 0.060 0.000 2.324 175 V HA -0.354 3.766 4.120 -0.000 0.000 0.250 175 V C 2.306 178.466 176.094 0.110 0.000 1.060 175 V CA 2.305 64.643 62.300 0.063 0.000 1.042 175 V CB -1.245 30.605 31.823 0.046 0.000 0.650 175 V HN 0.562 nan 8.190 nan 0.000 0.450 176 H N -0.659 118.412 119.070 0.002 0.000 2.321 176 H HA -0.183 4.373 4.556 0.000 0.000 0.300 176 H C 2.567 177.904 175.328 0.015 0.000 1.087 176 H CA 1.472 57.520 56.048 0.001 0.000 1.319 176 H CB 0.260 30.023 29.762 0.003 0.000 1.379 176 H HN 0.346 nan 8.280 nan 0.000 0.501 177 Q N 0.728 120.527 119.800 -0.002 0.000 2.077 177 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 177 Q C 2.720 178.702 176.000 -0.029 0.000 0.989 177 Q CA 1.235 56.994 55.803 -0.073 0.000 0.853 177 Q CB -0.417 28.304 28.738 -0.029 0.000 0.907 177 Q HN 0.565 nan 8.270 nan 0.000 0.418 178 L N 0.896 122.127 121.223 0.012 0.000 2.191 178 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 178 L C 2.504 179.393 176.870 0.032 0.000 1.103 178 L CA 1.279 56.131 54.840 0.020 0.000 0.769 178 L CB -0.650 41.424 42.059 0.026 0.000 0.908 178 L HN 0.237 nan 8.230 nan 0.000 0.438 179 S N -0.245 115.487 115.700 0.054 0.000 2.447 179 S HA -0.166 4.304 4.470 -0.000 0.000 0.233 179 S C 1.800 176.442 174.600 0.070 0.000 1.006 179 S CA 0.749 58.994 58.200 0.076 0.000 0.957 179 S CB -0.235 63.042 63.200 0.128 0.000 0.773 179 S HN 0.436 nan 8.310 nan 0.000 0.507 180 K N 0.744 121.163 120.400 0.030 0.000 2.366 180 K HA 0.142 4.462 4.320 -0.000 0.000 0.198 180 K C 0.318 176.935 176.600 0.028 0.000 1.044 180 K CA 0.508 56.808 56.287 0.022 0.000 0.973 180 K CB 0.065 32.546 32.500 -0.032 0.000 0.767 180 K HN 0.184 nan 8.250 nan 0.000 0.475 181 K N 1.800 122.215 120.400 0.025 0.000 2.263 181 K HA 0.051 4.371 4.320 -0.000 0.000 0.282 181 K C -0.010 176.610 176.600 0.035 0.000 1.089 181 K CA 0.097 56.396 56.287 0.021 0.000 0.907 181 K CB 1.394 33.900 32.500 0.010 0.000 1.148 181 K HN 0.040 nan 8.250 nan 0.000 0.470 182 E N 1.339 121.560 120.200 0.036 0.000 2.455 182 E HA -0.203 4.147 4.350 -0.000 0.000 0.202 182 E C 1.390 177.993 176.600 0.005 0.000 1.045 182 E CA 1.093 57.519 56.400 0.044 0.000 0.872 182 E CB 0.015 29.738 29.700 0.037 0.000 0.792 182 E HN 0.618 nan 8.360 nan 0.000 0.542 183 A N 0.634 123.445 122.820 -0.015 0.000 1.859 183 A HA -0.055 4.265 4.320 -0.000 0.000 0.212 183 A C 2.190 179.769 177.584 -0.008 0.000 1.238 183 A CA 1.033 53.038 52.037 -0.053 0.000 0.613 183 A CB -0.578 18.398 19.000 -0.041 0.000 0.904 183 A HN 0.305 nan 8.150 nan 0.000 0.457 184 S N -0.209 115.499 115.700 0.014 0.000 2.515 184 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 184 S C 1.822 176.453 174.600 0.051 0.000 0.987 184 S CA 0.897 59.113 58.200 0.027 0.000 0.936 184 S CB -0.351 62.860 63.200 0.018 0.000 0.766 184 S HN 0.566 nan 8.310 nan 0.000 0.528 185 R N 1.056 121.601 120.500 0.074 0.000 2.080 185 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 185 R C 2.019 178.348 176.300 0.048 0.000 1.137 185 R CA 1.992 58.130 56.100 0.063 0.000 0.943 185 R CB -0.533 29.804 30.300 0.062 0.000 0.846 185 R HN 0.474 nan 8.270 nan 0.000 0.431 186 H N -0.065 118.954 119.070 -0.085 0.000 2.387 186 H HA -0.036 4.520 4.556 -0.000 0.000 0.299 186 H C 1.875 177.179 175.328 -0.040 0.000 1.099 186 H CA 1.582 57.584 56.048 -0.076 0.000 1.315 186 H CB -0.356 29.357 29.762 -0.082 0.000 1.380 186 H HN 0.458 nan 8.280 nan 0.000 0.513 187 A N 0.378 123.256 122.820 0.097 0.000 1.978 187 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 187 A C 2.333 179.933 177.584 0.027 0.000 1.170 187 A CA 1.568 53.634 52.037 0.048 0.000 0.636 187 A CB -0.582 18.438 19.000 0.033 0.000 0.810 187 A HN 0.380 nan 8.150 nan 0.000 0.448 188 I N -0.381 120.202 120.570 0.021 0.000 2.270 188 I HA -0.144 4.026 4.170 -0.000 0.000 0.239 188 I C 2.184 178.299 176.117 -0.004 0.000 1.080 188 I CA 1.211 62.517 61.300 0.009 0.000 1.383 188 I CB -0.375 37.633 38.000 0.012 0.000 1.097 188 I HN 0.441 nan 8.210 nan 0.000 0.420 189 M N 0.643 120.228 119.600 -0.025 0.000 2.814 189 M HA 0.099 4.579 4.480 -0.000 0.000 0.203 189 M C 1.270 177.548 176.300 -0.036 0.000 1.193 189 M CA 1.120 56.395 55.300 -0.042 0.000 1.040 189 M CB -0.469 32.079 32.600 -0.087 0.000 1.796 189 M HN 0.173 nan 8.290 nan 0.000 0.454 190 R N -0.528 119.965 120.500 -0.012 0.000 2.551 190 R HA 0.194 4.534 4.340 -0.000 0.000 0.316 190 R C -0.284 176.019 176.300 0.005 0.000 0.934 190 R CA 0.060 56.160 56.100 0.000 0.000 1.117 190 R CB 0.906 31.215 30.300 0.016 0.000 1.626 190 R HN 0.329 nan 8.270 nan 0.000 0.513 191 S N 1.953 117.655 115.700 0.004 0.000 2.516 191 S HA 0.317 4.787 4.470 -0.000 0.000 0.268 191 S C -1.786 172.815 174.600 0.001 0.000 1.251 191 S CA -1.896 56.307 58.200 0.004 0.000 1.153 191 S CB 1.364 64.567 63.200 0.006 0.000 1.009 191 S HN 0.093 nan 8.310 nan 0.000 0.479 192 P HA -0.192 nan 4.420 nan 0.000 0.218 192 P C 0.875 178.172 177.300 -0.005 0.000 1.146 192 P CA 1.232 64.330 63.100 -0.003 0.000 0.820 192 P CB 0.258 31.956 31.700 -0.004 0.000 0.778 193 Q N -1.147 118.651 119.800 -0.003 0.000 2.119 193 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 193 Q C 2.298 178.297 176.000 -0.002 0.000 0.972 193 Q CA 1.438 57.240 55.803 -0.003 0.000 0.847 193 Q CB -0.923 27.814 28.738 -0.001 0.000 0.903 193 Q HN 0.201 nan 8.270 nan 0.000 0.433 194 M N -0.365 119.234 119.600 -0.000 0.000 2.098 194 M HA -0.074 4.406 4.480 -0.000 0.000 0.262 194 M C 1.765 178.064 176.300 -0.001 0.000 1.072 194 M CA 1.385 56.685 55.300 0.001 0.000 1.133 194 M CB -0.473 32.129 32.600 0.004 0.000 1.344 194 M HN 0.032 nan 8.290 nan 0.000 0.414 195 V N -0.061 119.851 119.914 -0.002 0.000 2.282 195 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 195 V C 2.384 178.474 176.094 -0.006 0.000 1.057 195 V CA 2.208 64.506 62.300 -0.004 0.000 1.032 195 V CB -1.390 30.432 31.823 -0.002 0.000 0.645 195 V HN 0.572 nan 8.190 nan 0.000 0.447 196 S N -0.152 115.543 115.700 -0.008 0.000 2.382 196 S HA -0.143 4.327 4.470 -0.000 0.000 0.228 196 S C 2.200 176.794 174.600 -0.009 0.000 1.027 196 S CA 1.314 59.507 58.200 -0.011 0.000 0.991 196 S CB -0.450 62.742 63.200 -0.013 0.000 0.823 196 S HN 0.671 nan 8.310 nan 0.000 0.469 197 A N 1.675 124.491 122.820 -0.007 0.000 1.877 197 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 197 A C 2.042 179.622 177.584 -0.007 0.000 1.186 197 A CA 1.235 53.269 52.037 -0.005 0.000 0.620 197 A CB -0.728 18.270 19.000 -0.003 0.000 0.822 197 A HN 0.485 nan 8.150 nan 0.000 0.443 198 I N -0.404 120.161 120.570 -0.008 0.000 2.127 198 I HA -0.244 3.926 4.170 -0.000 0.000 0.241 198 I C 2.387 178.496 176.117 -0.013 0.000 1.075 198 I CA 1.352 62.645 61.300 -0.013 0.000 1.334 198 I CB -0.624 37.367 38.000 -0.016 0.000 1.040 198 I HN 0.158 nan 8.210 nan 0.000 0.405 199 V N 1.036 120.944 119.914 -0.010 0.000 2.231 199 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 199 V C 2.689 178.779 176.094 -0.007 0.000 1.054 199 V CA 2.463 64.759 62.300 -0.007 0.000 1.015 199 V CB -0.850 30.969 31.823 -0.007 0.000 0.638 199 V HN 0.442 nan 8.190 nan 0.000 0.444 200 R N -0.341 120.154 120.500 -0.008 0.000 2.091 200 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 200 R C 2.317 178.613 176.300 -0.006 0.000 1.136 200 R CA 2.230 58.326 56.100 -0.007 0.000 0.959 200 R CB -0.547 29.748 30.300 -0.008 0.000 0.856 200 R HN 0.582 nan 8.270 nan 0.000 0.437 201 T N 1.244 115.793 114.554 -0.007 0.000 2.746 201 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 201 T C 1.685 176.381 174.700 -0.008 0.000 1.039 201 T CA 1.577 63.673 62.100 -0.007 0.000 1.142 201 T CB -0.189 68.674 68.868 -0.007 0.000 0.866 201 T HN 0.339 nan 8.240 nan 0.000 0.444 202 M N 0.832 120.426 119.600 -0.010 0.000 2.108 202 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 202 M C 2.313 178.612 176.300 -0.003 0.000 1.066 202 M CA 1.744 57.039 55.300 -0.009 0.000 1.107 202 M CB -0.201 32.393 32.600 -0.010 0.000 1.356 202 M HN 0.226 nan 8.290 nan 0.000 0.406 203 Q N 0.185 119.985 119.800 -0.001 0.000 2.049 203 Q HA -0.041 4.299 4.340 -0.000 0.000 0.198 203 Q C 0.081 176.080 176.000 -0.001 0.000 0.971 203 Q CA 0.977 56.781 55.803 0.001 0.000 0.833 203 Q CB 0.038 28.777 28.738 0.001 0.000 0.896 203 Q HN 0.566 nan 8.270 nan 0.000 0.434 204 N N 1.016 119.715 118.700 -0.002 0.000 3.228 204 N HA 0.106 4.846 4.740 -0.000 0.000 0.289 204 N C -1.023 174.485 175.510 -0.003 0.000 1.419 204 N CA 0.191 53.240 53.050 -0.003 0.000 1.088 204 N CB 1.303 39.788 38.487 -0.003 0.000 1.357 204 N HN 0.001 nan 8.380 nan 0.000 0.504 205 T N -0.501 114.050 114.554 -0.004 0.000 2.923 205 T HA 0.329 4.679 4.350 -0.000 0.000 0.311 205 T C -0.257 174.440 174.700 -0.005 0.000 1.183 205 T CA -0.524 61.573 62.100 -0.004 0.000 1.020 205 T CB 0.945 69.811 68.868 -0.005 0.000 1.165 205 T HN 0.106 nan 8.240 nan 0.000 0.482 206 N N 1.943 120.640 118.700 -0.005 0.000 2.187 206 N HA 0.223 4.963 4.740 -0.000 0.000 0.212 206 N C -0.966 174.539 175.510 -0.007 0.000 1.152 206 N CA -0.280 52.766 53.050 -0.007 0.000 0.872 206 N CB 0.619 39.103 38.487 -0.006 0.000 1.025 206 N HN 0.575 nan 8.380 nan 0.000 0.514 207 D N -0.117 120.279 120.400 -0.006 0.000 2.359 207 D HA 0.144 4.784 4.640 -0.000 0.000 0.230 207 D C 1.264 177.561 176.300 -0.006 0.000 1.118 207 D CA -0.389 53.608 54.000 -0.005 0.000 0.844 207 D CB 1.090 41.890 40.800 -0.001 0.000 1.059 207 D HN -0.241 nan 8.370 nan 0.000 0.493 208 V N 3.948 123.857 119.914 -0.010 0.000 2.233 208 V HA -0.308 3.812 4.120 -0.000 0.000 0.252 208 V C 2.234 178.326 176.094 -0.005 0.000 1.063 208 V CA 2.292 64.584 62.300 -0.014 0.000 1.032 208 V CB -0.717 31.094 31.823 -0.020 0.000 0.645 208 V HN 0.749 nan 8.190 nan 0.000 0.446 209 E N -0.243 119.960 120.200 0.004 0.000 2.077 209 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 209 E C 2.236 178.846 176.600 0.016 0.000 0.989 209 E CA 1.869 58.280 56.400 0.019 0.000 0.800 209 E CB -0.180 29.536 29.700 0.026 0.000 0.746 209 E HN 0.685 nan 8.360 nan 0.000 0.452 210 T N 0.592 115.151 114.554 0.008 0.000 2.720 210 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 210 T C 1.835 176.528 174.700 -0.012 0.000 1.037 210 T CA 1.361 63.462 62.100 0.001 0.000 1.144 210 T CB -0.327 68.541 68.868 0.000 0.000 0.864 210 T HN 0.347 nan 8.240 nan 0.000 0.444 211 A N 1.633 124.449 122.820 -0.008 0.000 1.877 211 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 211 A C 2.293 179.874 177.584 -0.004 0.000 1.186 211 A CA 1.885 53.917 52.037 -0.009 0.000 0.620 211 A CB -0.615 18.381 19.000 -0.007 0.000 0.822 211 A HN 0.447 nan 8.150 nan 0.000 0.443 212 R N -0.909 119.599 120.500 0.013 0.000 2.096 212 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 212 R C 2.050 178.334 176.300 -0.026 0.000 1.127 212 R CA 1.938 58.078 56.100 0.066 0.000 0.968 212 R CB -0.635 29.711 30.300 0.077 0.000 0.861 212 R HN 0.542 nan 8.270 nan 0.000 0.440 213 C N -0.012 119.232 119.300 -0.093 0.000 2.475 213 C HA -0.015 4.445 4.460 -0.000 0.000 0.279 213 C C 2.802 177.581 174.990 -0.352 0.000 1.322 213 C CA 1.305 60.157 59.018 -0.278 0.000 1.734 213 C CB -0.574 27.141 27.740 -0.042 0.000 2.005 213 C HN 0.741 nan 8.230 nan 0.000 0.495 214 T N 0.087 114.539 114.554 -0.170 0.000 2.812 214 T HA -0.040 4.310 4.350 -0.000 0.000 0.264 214 T C 2.009 176.606 174.700 -0.173 0.000 1.042 214 T CA 1.466 63.486 62.100 -0.134 0.000 1.140 214 T CB -0.547 68.284 68.868 -0.062 0.000 0.870 214 T HN 0.461 nan 8.240 nan 0.000 0.445 215 A N 2.060 124.789 122.820 -0.151 0.000 1.908 215 A HA 0.190 4.510 4.320 -0.000 0.000 0.218 215 A C 2.745 180.092 177.584 -0.396 0.000 1.181 215 A CA 1.805 53.767 52.037 -0.126 0.000 0.627 215 A CB -1.671 17.353 19.000 0.039 0.000 0.818 215 A HN 0.610 nan 8.150 nan 0.000 0.445 216 G N -1.320 106.999 108.800 -0.802 0.000 2.422 216 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.218 216 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.218 216 G C 1.558 176.104 174.900 -0.591 0.000 1.146 216 G CA 1.656 45.915 45.100 -1.401 0.000 0.769 216 G HN 0.439 nan 8.290 nan 0.000 0.547 217 T N 1.448 115.752 114.554 -0.416 0.000 2.674 217 T HA -0.042 4.308 4.350 -0.000 0.000 0.265 217 T C 2.434 177.090 174.700 -0.074 0.000 1.039 217 T CA 0.958 62.996 62.100 -0.104 0.000 1.150 217 T CB -0.264 68.569 68.868 -0.058 0.000 0.864 217 T HN 0.158 nan 8.240 nan 0.000 0.427 218 L N 0.352 121.520 121.223 -0.092 0.000 2.043 218 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 218 L C 2.590 179.432 176.870 -0.046 0.000 1.075 218 L CA 1.769 56.581 54.840 -0.046 0.000 0.752 218 L CB -0.680 41.364 42.059 -0.025 0.000 0.891 218 L HN 0.377 nan 8.230 nan 0.000 0.432 219 H N 0.542 119.513 119.070 -0.166 0.000 2.387 219 H HA -0.146 4.410 4.556 0.000 0.000 0.299 219 H C 2.092 177.308 175.328 -0.185 0.000 1.099 219 H CA 1.829 57.784 56.048 -0.155 0.000 1.315 219 H CB 0.023 29.694 29.762 -0.152 0.000 1.380 219 H HN 0.237 nan 8.280 nan 0.000 0.513 220 N N 0.043 118.638 118.700 -0.175 0.000 2.331 220 N HA -0.080 4.660 4.740 -0.000 0.000 0.180 220 N C 2.021 177.526 175.510 -0.008 0.000 1.019 220 N CA 0.907 53.936 53.050 -0.035 0.000 0.881 220 N CB -0.067 38.491 38.487 0.117 0.000 0.972 220 N HN 0.404 nan 8.380 nan 0.000 0.435 221 L N 0.862 122.055 121.223 -0.050 0.000 2.109 221 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 221 L C 2.049 178.889 176.870 -0.050 0.000 1.086 221 L CA 0.901 55.735 54.840 -0.010 0.000 0.760 221 L CB -0.519 41.530 42.059 -0.017 0.000 0.910 221 L HN 0.166 nan 8.230 nan 0.000 0.437 222 S N -1.775 113.815 115.700 -0.184 0.000 2.641 222 S HA -0.139 4.331 4.470 -0.000 0.000 0.239 222 S C 1.496 175.915 174.600 -0.301 0.000 0.972 222 S CA 0.469 58.543 58.200 -0.210 0.000 0.954 222 S CB -0.598 62.487 63.200 -0.191 0.000 0.767 222 S HN 0.455 nan 8.310 nan 0.000 0.539 223 H N 0.269 119.236 119.070 -0.172 0.000 2.563 223 H HA 0.305 4.861 4.556 0.000 0.000 0.264 223 H C -0.096 174.891 175.328 -0.569 0.000 0.957 223 H CA 0.486 56.316 56.048 -0.363 0.000 1.173 223 H CB 0.092 29.609 29.762 -0.408 0.000 1.420 223 H HN 0.619 nan 8.280 nan 0.000 0.551 224 H N -0.936 118.115 119.070 -0.032 0.000 2.747 224 H HA 0.276 4.832 4.556 -0.000 0.000 0.371 224 H C 1.363 176.645 175.328 -0.077 0.000 1.161 224 H CA -0.653 55.355 56.048 -0.066 0.000 1.167 224 H CB 2.282 31.983 29.762 -0.102 0.000 1.732 224 H HN -0.153 nan 8.280 nan 0.000 0.544 225 R N 1.167 121.699 120.500 0.054 0.000 2.115 225 R HA -0.219 4.121 4.340 -0.000 0.000 0.239 225 R C 1.057 177.368 176.300 0.018 0.000 1.133 225 R CA 2.293 58.406 56.100 0.020 0.000 0.935 225 R CB -0.088 30.226 30.300 0.023 0.000 0.853 225 R HN 0.790 nan 8.270 nan 0.000 0.433 226 E N -1.081 119.121 120.200 0.003 0.000 2.118 226 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 226 E C 1.869 178.463 176.600 -0.009 0.000 0.992 226 E CA 1.083 57.473 56.400 -0.016 0.000 0.804 226 E CB -0.230 29.429 29.700 -0.069 0.000 0.741 226 E HN 0.650 nan 8.360 nan 0.000 0.458 227 G N 1.342 110.138 108.800 -0.007 0.000 2.433 227 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 227 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 227 G C 1.573 176.483 174.900 0.016 0.000 1.186 227 G CA 0.568 45.669 45.100 0.001 0.000 0.779 227 G HN 0.080 nan 8.290 nan 0.000 0.543 228 L N -0.330 120.902 121.223 0.015 0.000 1.989 228 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 228 L C 2.733 179.652 176.870 0.081 0.000 1.071 228 L CA 0.858 55.716 54.840 0.029 0.000 0.749 228 L CB -0.612 41.450 42.059 0.004 0.000 0.890 228 L HN 0.230 nan 8.230 nan 0.000 0.431 229 L N 0.301 121.567 121.223 0.073 0.000 1.989 229 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 229 L C 2.668 179.623 176.870 0.142 0.000 1.071 229 L CA 2.186 57.103 54.840 0.129 0.000 0.749 229 L CB -0.863 41.245 42.059 0.082 0.000 0.890 229 L HN 0.191 nan 8.230 nan 0.000 0.431 230 A N -0.506 122.358 122.820 0.073 0.000 1.948 230 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 230 A C 2.291 179.906 177.584 0.051 0.000 1.177 230 A CA 2.294 54.359 52.037 0.046 0.000 0.636 230 A CB -0.931 18.079 19.000 0.016 0.000 0.815 230 A HN 0.571 nan 8.150 nan 0.000 0.449 231 I N -2.233 118.379 120.570 0.071 0.000 2.286 231 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 231 I C 2.308 178.491 176.117 0.110 0.000 1.104 231 I CA 1.171 62.513 61.300 0.071 0.000 1.397 231 I CB -0.372 37.669 38.000 0.069 0.000 1.072 231 I HN 0.428 nan 8.210 nan 0.000 0.417 232 F N 3.185 123.135 119.950 -0.001 0.000 1.997 232 F HA -0.247 4.280 4.527 -0.000 0.000 0.296 232 F C 1.962 177.763 175.800 0.001 0.000 1.160 232 F CA 1.532 59.534 58.000 0.002 0.000 1.176 232 F CB -0.564 38.438 39.000 0.003 0.000 0.964 232 F HN -0.037 nan 8.300 nan 0.000 0.484 233 K N 0.246 120.560 120.400 -0.144 0.000 3.245 233 K HA 0.169 4.489 4.320 -0.000 0.000 0.285 233 K C 0.347 176.867 176.600 -0.134 0.000 1.156 233 K CA 0.814 56.951 56.287 -0.249 0.000 1.162 233 K CB -0.174 32.284 32.500 -0.069 0.000 1.365 233 K HN 0.241 nan 8.250 nan 0.000 0.316 234 S N 0.059 115.675 115.700 -0.140 0.000 2.702 234 S HA 0.192 4.662 4.470 -0.000 0.000 0.257 234 S C 0.838 175.392 174.600 -0.077 0.000 0.981 234 S CA 0.225 58.379 58.200 -0.076 0.000 1.414 234 S CB 0.284 63.465 63.200 -0.031 0.000 1.239 234 S HN 0.828 nan 8.310 nan 0.000 0.676 235 G N 0.773 109.502 108.800 -0.118 0.000 2.176 235 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.252 235 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.252 235 G C 0.965 175.845 174.900 -0.033 0.000 1.024 235 G CA 0.301 45.350 45.100 -0.085 0.000 0.755 235 G HN 1.045 nan 8.290 nan 0.000 0.507 236 G N 0.024 108.818 108.800 -0.011 0.000 2.394 236 G HA2 0.085 4.045 3.960 -0.000 0.000 0.215 236 G HA3 0.085 4.045 3.960 -0.000 0.000 0.215 236 G C 1.792 176.720 174.900 0.047 0.000 1.165 236 G CA 1.128 46.243 45.100 0.025 0.000 0.784 236 G HN 0.599 nan 8.290 nan 0.000 0.535 237 I N 1.529 122.142 120.570 0.072 0.000 2.127 237 I HA -0.136 4.034 4.170 -0.000 0.000 0.241 237 I C -0.151 176.001 176.117 0.059 0.000 1.075 237 I CA 1.246 62.600 61.300 0.090 0.000 1.334 237 I CB -0.995 37.090 38.000 0.142 0.000 1.040 237 I HN 0.141 nan 8.210 nan 0.000 0.405 238 P HA -0.163 nan 4.420 nan 0.000 0.216 238 P C 1.471 178.787 177.300 0.026 0.000 1.150 238 P CA 1.819 64.935 63.100 0.026 0.000 0.837 238 P CB -0.025 31.679 31.700 0.007 0.000 0.786 239 A N -0.438 122.395 122.820 0.022 0.000 1.858 239 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 239 A C 2.198 179.802 177.584 0.034 0.000 1.190 239 A CA 1.556 53.606 52.037 0.021 0.000 0.617 239 A CB -1.700 17.308 19.000 0.014 0.000 0.827 239 A HN 0.105 nan 8.150 nan 0.000 0.443 240 L N -0.468 120.783 121.223 0.047 0.000 2.131 240 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 240 L C 2.473 179.384 176.870 0.069 0.000 1.092 240 L CA 0.812 55.690 54.840 0.063 0.000 0.759 240 L CB -0.456 41.649 42.059 0.077 0.000 0.903 240 L HN 0.252 nan 8.230 nan 0.000 0.435 241 V N -0.037 119.913 119.914 0.061 0.000 2.358 241 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 241 V C 2.576 178.701 176.094 0.053 0.000 1.047 241 V CA 1.732 64.068 62.300 0.061 0.000 1.035 241 V CB -0.473 31.382 31.823 0.053 0.000 0.658 241 V HN 0.444 nan 8.190 nan 0.000 0.452 242 K N -0.396 120.028 120.400 0.041 0.000 2.097 242 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 242 K C 2.072 178.693 176.600 0.036 0.000 1.049 242 K CA 1.424 57.731 56.287 0.033 0.000 0.933 242 K CB -0.105 32.408 32.500 0.023 0.000 0.717 242 K HN 0.253 nan 8.250 nan 0.000 0.442 243 M N 0.969 120.594 119.600 0.042 0.000 2.460 243 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 243 M C 1.804 178.137 176.300 0.056 0.000 1.071 243 M CA 0.979 56.304 55.300 0.043 0.000 1.096 243 M CB -0.665 31.965 32.600 0.050 0.000 1.408 243 M HN 0.182 nan 8.290 nan 0.000 0.463 244 L N -0.724 120.543 121.223 0.074 0.000 2.450 244 L HA -0.091 4.249 4.340 -0.000 0.000 0.224 244 L C 1.884 178.800 176.870 0.076 0.000 1.149 244 L CA 0.705 55.605 54.840 0.100 0.000 0.816 244 L CB -0.762 41.364 42.059 0.111 0.000 0.932 244 L HN 0.376 nan 8.230 nan 0.000 0.449 245 G N -1.309 107.520 108.800 0.047 0.000 3.434 245 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.258 245 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.258 245 G C 0.489 175.393 174.900 0.007 0.000 1.128 245 G CA -0.094 45.024 45.100 0.030 0.000 0.792 245 G HN 0.183 nan 8.290 nan 0.000 0.539 246 S N 0.508 116.206 115.700 -0.003 0.000 2.564 246 S HA 0.327 4.797 4.470 -0.000 0.000 0.278 246 S C -0.947 173.618 174.600 -0.059 0.000 1.333 246 S CA -0.886 57.297 58.200 -0.029 0.000 1.048 246 S CB 1.580 64.760 63.200 -0.034 0.000 0.900 246 S HN 0.021 nan 8.310 nan 0.000 0.505 247 P HA 0.107 nan 4.420 nan 0.000 0.231 247 P C -0.112 177.117 177.300 -0.117 0.000 1.168 247 P CA 0.110 63.165 63.100 -0.076 0.000 0.779 247 P CB 0.136 31.804 31.700 -0.054 0.000 0.844 248 V N 0.622 120.458 119.914 -0.130 0.000 2.383 248 V HA 0.142 4.262 4.120 -0.000 0.000 0.275 248 V C 0.783 176.699 176.094 -0.298 0.000 1.036 248 V CA -0.189 62.004 62.300 -0.178 0.000 0.889 248 V CB 0.681 32.426 31.823 -0.130 0.000 0.985 248 V HN -0.152 nan 8.190 nan 0.000 0.459 249 D N 3.588 123.728 120.400 -0.433 0.000 2.116 249 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 249 D C 2.279 177.926 176.300 -1.088 0.000 0.998 249 D CA 2.098 55.590 54.000 -0.846 0.000 0.836 249 D CB -0.129 40.122 40.800 -0.914 0.000 0.951 249 D HN 0.846 nan 8.370 nan 0.000 0.449 250 S N 0.148 115.428 115.700 -0.700 0.000 2.383 250 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 250 S C 2.254 176.635 174.600 -0.364 0.000 1.030 250 S CA 1.252 59.116 58.200 -0.559 0.000 1.002 250 S CB -0.806 62.202 63.200 -0.321 0.000 0.829 250 S HN 0.129 nan 8.310 nan 0.000 0.467 251 V N 1.972 121.768 119.914 -0.197 0.000 2.358 251 V HA -0.074 4.046 4.120 -0.000 0.000 0.246 251 V C 2.513 178.604 176.094 -0.006 0.000 1.047 251 V CA 1.730 64.021 62.300 -0.015 0.000 1.035 251 V CB -0.846 30.963 31.823 -0.024 0.000 0.658 251 V HN 0.475 nan 8.190 nan 0.000 0.452 252 L N -0.797 120.349 121.223 -0.129 0.000 2.012 252 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 252 L C 2.429 179.435 176.870 0.227 0.000 1.073 252 L CA 2.079 56.908 54.840 -0.019 0.000 0.748 252 L CB -0.328 41.603 42.059 -0.213 0.000 0.891 252 L HN 0.300 nan 8.230 nan 0.000 0.431 253 F N -1.936 117.949 119.950 -0.109 0.000 2.186 253 F HA -0.284 4.243 4.527 -0.000 0.000 0.299 253 F C 2.279 178.051 175.800 -0.046 0.000 1.090 253 F CA 0.678 58.637 58.000 -0.068 0.000 1.307 253 F CB -0.370 38.492 39.000 -0.230 0.000 1.019 253 F HN 0.116 nan 8.300 nan 0.000 0.489 254 Y N 0.110 120.478 120.300 0.112 0.000 2.220 254 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 254 Y C 2.621 178.547 175.900 0.044 0.000 1.129 254 Y CA 0.394 58.480 58.100 -0.023 0.000 1.161 254 Y CB -0.309 38.133 38.460 -0.030 0.000 0.997 254 Y HN 0.004 nan 8.280 nan 0.000 0.522 255 A N 0.118 123.089 122.820 0.251 0.000 1.858 255 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 255 A C 2.069 179.768 177.584 0.193 0.000 1.190 255 A CA 1.795 53.945 52.037 0.188 0.000 0.617 255 A CB -0.934 18.158 19.000 0.153 0.000 0.827 255 A HN 0.448 nan 8.150 nan 0.000 0.443 256 I N 0.563 121.272 120.570 0.232 0.000 2.315 256 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 256 I C 2.630 178.848 176.117 0.169 0.000 1.117 256 I CA 2.394 63.813 61.300 0.199 0.000 1.404 256 I CB -0.386 37.759 38.000 0.242 0.000 1.071 256 I HN 0.524 nan 8.210 nan 0.000 0.419 257 T N -3.804 110.854 114.554 0.173 0.000 2.942 257 T HA -0.094 4.256 4.350 -0.000 0.000 0.265 257 T C 1.839 176.706 174.700 0.279 0.000 1.062 257 T CA 1.604 63.817 62.100 0.188 0.000 1.139 257 T CB -1.024 67.914 68.868 0.116 0.000 0.883 257 T HN 0.273 nan 8.240 nan 0.000 0.468 258 T N 2.511 117.224 114.554 0.266 0.000 2.737 258 T HA 0.144 4.494 4.350 -0.000 0.000 0.265 258 T C 1.909 176.703 174.700 0.158 0.000 1.038 258 T CA 1.116 63.351 62.100 0.226 0.000 1.144 258 T CB -0.524 68.454 68.868 0.184 0.000 0.866 258 T HN 0.264 nan 8.240 nan 0.000 0.434 259 L N 0.158 121.474 121.223 0.155 0.000 2.079 259 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 259 L C 2.576 179.516 176.870 0.116 0.000 1.081 259 L CA 1.551 56.463 54.840 0.120 0.000 0.752 259 L CB -0.565 41.563 42.059 0.114 0.000 0.896 259 L HN 0.347 nan 8.230 nan 0.000 0.433 260 H N 0.442 119.551 119.070 0.065 0.000 2.352 260 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 260 H C 2.127 177.499 175.328 0.072 0.000 1.097 260 H CA 1.963 58.041 56.048 0.051 0.000 1.311 260 H CB 0.121 29.916 29.762 0.055 0.000 1.377 260 H HN 0.243 nan 8.280 nan 0.000 0.504 261 N N -0.016 118.751 118.700 0.111 0.000 2.270 261 N HA -0.093 4.647 4.740 -0.000 0.000 0.181 261 N C 2.061 177.621 175.510 0.082 0.000 1.016 261 N CA 0.886 54.005 53.050 0.116 0.000 0.870 261 N CB -0.191 38.345 38.487 0.082 0.000 0.979 261 N HN 0.376 nan 8.380 nan 0.000 0.431 262 L N 0.578 121.820 121.223 0.032 0.000 2.027 262 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 262 L C 2.173 179.006 176.870 -0.061 0.000 1.074 262 L CA 0.798 55.639 54.840 0.001 0.000 0.745 262 L CB -0.375 41.702 42.059 0.029 0.000 0.898 262 L HN 0.100 nan 8.230 nan 0.000 0.433 263 L N -0.758 120.412 121.223 -0.088 0.000 2.083 263 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 263 L C 2.402 179.147 176.870 -0.209 0.000 1.083 263 L CA 1.177 55.937 54.840 -0.134 0.000 0.752 263 L CB -0.371 41.611 42.059 -0.128 0.000 0.899 263 L HN 0.284 nan 8.230 nan 0.000 0.433 264 L N -1.508 119.540 121.223 -0.291 0.000 2.179 264 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 264 L C 1.834 178.343 176.870 -0.602 0.000 1.096 264 L CA 1.028 55.585 54.840 -0.472 0.000 0.779 264 L CB -0.233 41.459 42.059 -0.612 0.000 0.922 264 L HN 0.349 nan 8.230 nan 0.000 0.443 265 H N -3.444 115.551 119.070 -0.125 0.000 3.241 265 H HA 0.161 4.717 4.556 -0.000 0.000 0.260 265 H C 0.209 175.467 175.328 -0.117 0.000 1.084 265 H CA -0.297 55.689 56.048 -0.102 0.000 1.203 265 H CB 0.533 30.249 29.762 -0.077 0.000 1.524 265 H HN -0.006 nan 8.280 nan 0.000 0.521 266 Q N 2.083 121.848 119.800 -0.059 0.000 2.368 266 Q HA 0.165 4.505 4.340 -0.000 0.000 0.256 266 Q C -0.690 175.147 176.000 -0.272 0.000 0.980 266 Q CA -0.763 54.942 55.803 -0.164 0.000 0.887 266 Q CB 0.905 29.525 28.738 -0.196 0.000 1.221 266 Q HN 0.177 nan 8.270 nan 0.000 0.458 267 E N 2.967 123.015 120.200 -0.252 0.000 2.585 267 E HA 0.228 4.578 4.350 -0.000 0.000 0.252 267 E C 0.737 177.100 176.600 -0.395 0.000 0.981 267 E CA 1.743 57.997 56.400 -0.243 0.000 0.943 267 E CB -0.182 29.421 29.700 -0.162 0.000 0.923 267 E HN 0.822 nan 8.360 nan 0.000 0.486 268 G N 2.816 111.460 108.800 -0.261 0.000 2.159 268 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.256 268 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.256 268 G C 0.907 175.679 174.900 -0.214 0.000 0.977 268 G CA 0.566 45.540 45.100 -0.210 0.000 0.652 268 G HN 0.863 nan 8.290 nan 0.000 0.531 269 A N -0.028 122.632 122.820 -0.267 0.000 1.930 269 A HA 0.241 4.561 4.320 -0.000 0.000 0.215 269 A C 2.208 179.782 177.584 -0.016 0.000 1.176 269 A CA 2.045 54.009 52.037 -0.122 0.000 0.632 269 A CB -0.310 18.606 19.000 -0.140 0.000 0.819 269 A HN 0.491 nan 8.150 nan 0.000 0.445 270 K N -1.210 119.165 120.400 -0.043 0.000 2.020 270 K HA -0.212 4.108 4.320 -0.000 0.000 0.212 270 K C 2.052 178.662 176.600 0.016 0.000 1.050 270 K CA 1.860 58.138 56.287 -0.015 0.000 0.929 270 K CB -0.327 32.157 32.500 -0.027 0.000 0.714 270 K HN 0.405 nan 8.250 nan 0.000 0.443 271 M N 1.017 120.632 119.600 0.024 0.000 2.108 271 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 271 M C 2.076 178.417 176.300 0.067 0.000 1.066 271 M CA 1.702 57.028 55.300 0.043 0.000 1.107 271 M CB -0.409 32.220 32.600 0.048 0.000 1.356 271 M HN 0.212 nan 8.290 nan 0.000 0.406 272 A N -1.059 121.827 122.820 0.111 0.000 1.883 272 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 272 A C 2.175 179.813 177.584 0.090 0.000 1.186 272 A CA 2.194 54.312 52.037 0.136 0.000 0.624 272 A CB -1.325 17.837 19.000 0.270 0.000 0.822 272 A HN 0.369 nan 8.150 nan 0.000 0.444 273 V N -0.075 119.887 119.914 0.079 0.000 2.407 273 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 273 V C 2.628 178.749 176.094 0.045 0.000 1.055 273 V CA 2.269 64.605 62.300 0.060 0.000 1.049 273 V CB -0.893 30.960 31.823 0.049 0.000 0.662 273 V HN 0.526 nan 8.190 nan 0.000 0.455 274 R N -0.059 120.464 120.500 0.039 0.000 2.070 274 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 274 R C 2.307 178.625 176.300 0.030 0.000 1.138 274 R CA 1.627 57.745 56.100 0.030 0.000 0.936 274 R CB -0.569 29.746 30.300 0.025 0.000 0.839 274 R HN 0.392 nan 8.270 nan 0.000 0.429 275 L N 0.264 121.508 121.223 0.034 0.000 2.127 275 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 275 L C 2.452 179.339 176.870 0.027 0.000 1.089 275 L CA 1.098 55.955 54.840 0.029 0.000 0.757 275 L CB -0.522 41.556 42.059 0.032 0.000 0.899 275 L HN 0.277 nan 8.230 nan 0.000 0.434 276 A N -0.198 122.642 122.820 0.034 0.000 2.206 276 A HA 0.252 4.572 4.320 -0.000 0.000 0.211 276 A C 1.677 179.279 177.584 0.029 0.000 1.158 276 A CA 0.772 52.827 52.037 0.031 0.000 0.761 276 A CB -0.494 18.529 19.000 0.038 0.000 0.801 276 A HN 0.539 nan 8.150 nan 0.000 0.473 277 G N -1.947 106.871 108.800 0.029 0.000 2.204 277 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.244 277 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.244 277 G C 1.013 175.932 174.900 0.033 0.000 1.062 277 G CA 0.509 45.626 45.100 0.027 0.000 0.798 277 G HN 1.142 nan 8.290 nan 0.000 0.496 278 G N -0.019 108.803 108.800 0.036 0.000 2.394 278 G HA2 0.054 4.014 3.960 -0.000 0.000 0.214 278 G HA3 0.054 4.014 3.960 -0.000 0.000 0.214 278 G C 1.867 176.788 174.900 0.036 0.000 1.176 278 G CA 1.161 46.285 45.100 0.041 0.000 0.786 278 G HN 0.620 nan 8.290 nan 0.000 0.533 279 L N 0.017 121.256 121.223 0.028 0.000 1.997 279 L HA -0.247 4.093 4.340 -0.000 0.000 0.216 279 L C 3.198 180.083 176.870 0.024 0.000 1.074 279 L CA 1.712 56.565 54.840 0.021 0.000 0.763 279 L CB -0.508 41.561 42.059 0.016 0.000 0.890 279 L HN 0.200 nan 8.230 nan 0.000 0.434 280 Q N -0.159 119.656 119.800 0.025 0.000 2.135 280 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 280 Q C 2.154 178.174 176.000 0.034 0.000 0.981 280 Q CA 1.627 57.446 55.803 0.026 0.000 0.856 280 Q CB -0.124 28.629 28.738 0.024 0.000 0.902 280 Q HN 0.411 nan 8.270 nan 0.000 0.425 281 K N -0.547 119.878 120.400 0.041 0.000 2.116 281 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 281 K C 2.001 178.640 176.600 0.066 0.000 1.052 281 K CA 0.947 57.267 56.287 0.054 0.000 0.952 281 K CB 0.003 32.539 32.500 0.059 0.000 0.729 281 K HN 0.217 nan 8.250 nan 0.000 0.446 282 M N 0.404 120.035 119.600 0.052 0.000 2.175 282 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 282 M C 2.137 178.456 176.300 0.031 0.000 1.063 282 M CA 1.181 56.504 55.300 0.040 0.000 1.119 282 M CB -0.081 32.527 32.600 0.013 0.000 1.377 282 M HN -0.079 nan 8.290 nan 0.000 0.415 283 V N 0.273 120.204 119.914 0.029 0.000 2.358 283 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 283 V C 2.565 178.686 176.094 0.045 0.000 1.047 283 V CA 1.980 64.296 62.300 0.027 0.000 1.035 283 V CB -1.016 30.820 31.823 0.022 0.000 0.658 283 V HN 0.517 nan 8.190 nan 0.000 0.452 284 A N -0.583 122.269 122.820 0.053 0.000 2.019 284 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 284 A C 2.101 179.738 177.584 0.088 0.000 1.164 284 A CA 1.368 53.442 52.037 0.062 0.000 0.644 284 A CB -0.482 18.551 19.000 0.055 0.000 0.805 284 A HN 0.528 nan 8.150 nan 0.000 0.449 285 L N -0.362 120.930 121.223 0.115 0.000 2.551 285 L HA 0.011 4.351 4.340 -0.000 0.000 0.228 285 L C 1.581 178.567 176.870 0.195 0.000 1.153 285 L CA 0.123 55.080 54.840 0.196 0.000 0.851 285 L CB -0.254 41.978 42.059 0.288 0.000 0.959 285 L HN 0.372 nan 8.230 nan 0.000 0.451 286 L N 0.288 121.576 121.223 0.109 0.000 2.633 286 L HA -0.125 4.215 4.340 -0.000 0.000 0.235 286 L C 1.758 178.703 176.870 0.125 0.000 1.163 286 L CA 0.817 55.711 54.840 0.090 0.000 0.859 286 L CB -0.660 41.431 42.059 0.054 0.000 0.973 286 L HN 0.589 nan 8.230 nan 0.000 0.451 287 N N -1.658 117.121 118.700 0.131 0.000 2.336 287 N HA -0.007 4.733 4.740 -0.000 0.000 0.189 287 N C 0.599 176.195 175.510 0.144 0.000 1.113 287 N CA -0.401 52.724 53.050 0.125 0.000 0.858 287 N CB 0.388 38.930 38.487 0.091 0.000 0.970 287 N HN 0.067 nan 8.380 nan 0.000 0.471 288 K N 1.265 121.774 120.400 0.182 0.000 2.156 288 K HA 0.050 4.370 4.320 -0.000 0.000 0.242 288 K C 1.179 177.885 176.600 0.176 0.000 1.033 288 K CA 0.386 56.779 56.287 0.175 0.000 0.878 288 K CB 0.904 33.560 32.500 0.259 0.000 1.057 288 K HN 0.227 nan 8.250 nan 0.000 0.505 289 T N -3.354 111.283 114.554 0.138 0.000 3.040 289 T HA 0.036 4.386 4.350 -0.000 0.000 0.266 289 T C 0.472 175.197 174.700 0.042 0.000 1.005 289 T CA -0.391 61.793 62.100 0.141 0.000 0.906 289 T CB 0.022 68.985 68.868 0.157 0.000 1.082 289 T HN 0.336 nan 8.240 nan 0.000 0.531 290 N N 2.884 121.609 118.700 0.043 0.000 2.401 290 N HA 0.081 4.821 4.740 -0.000 0.000 0.255 290 N C 1.650 177.083 175.510 -0.129 0.000 1.110 290 N CA 0.129 53.160 53.050 -0.032 0.000 0.949 290 N CB 1.723 40.206 38.487 -0.008 0.000 1.110 290 N HN 0.242 nan 8.380 nan 0.000 0.490 291 V N 2.785 122.534 119.914 -0.275 0.000 2.490 291 V HA -0.152 3.968 4.120 -0.000 0.000 0.250 291 V C 2.009 177.915 176.094 -0.314 0.000 1.061 291 V CA 1.357 63.426 62.300 -0.385 0.000 1.064 291 V CB -0.471 31.085 31.823 -0.445 0.000 0.670 291 V HN 0.509 nan 8.190 nan 0.000 0.461 292 K N -0.374 119.818 120.400 -0.346 0.000 2.103 292 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 292 K C 1.961 178.433 176.600 -0.213 0.000 1.052 292 K CA 1.691 57.822 56.287 -0.260 0.000 0.945 292 K CB -0.291 32.044 32.500 -0.275 0.000 0.722 292 K HN 0.612 nan 8.250 nan 0.000 0.443 293 F N 1.321 121.028 119.950 -0.405 0.000 2.206 293 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 293 F C 1.571 177.234 175.800 -0.227 0.000 1.090 293 F CA 1.029 58.782 58.000 -0.412 0.000 1.323 293 F CB 0.054 38.736 39.000 -0.531 0.000 1.028 293 F HN -0.112 nan 8.300 nan 0.000 0.492 294 L N 0.021 121.051 121.223 -0.323 0.000 2.201 294 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 294 L C 2.770 179.467 176.870 -0.289 0.000 1.105 294 L CA 0.844 55.476 54.840 -0.345 0.000 0.775 294 L CB -1.038 40.880 42.059 -0.234 0.000 0.913 294 L HN 0.268 nan 8.230 nan 0.000 0.440 295 A N 0.589 123.287 122.820 -0.204 0.000 1.873 295 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 295 A C 2.190 179.657 177.584 -0.194 0.000 1.186 295 A CA 1.434 53.403 52.037 -0.113 0.000 0.616 295 A CB -0.554 18.467 19.000 0.036 0.000 0.823 295 A HN 0.334 nan 8.150 nan 0.000 0.442 296 I N -0.521 119.876 120.570 -0.289 0.000 2.252 296 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 296 I C 2.547 178.471 176.117 -0.321 0.000 1.102 296 I CA 1.610 62.688 61.300 -0.371 0.000 1.385 296 I CB -0.677 37.096 38.000 -0.378 0.000 1.064 296 I HN 0.236 nan 8.210 nan 0.000 0.414 297 T N 0.225 114.520 114.554 -0.432 0.000 2.674 297 T HA -0.179 4.170 4.350 -0.000 0.000 0.265 297 T C 2.036 176.617 174.700 -0.199 0.000 1.039 297 T CA 2.261 64.142 62.100 -0.365 0.000 1.150 297 T CB -0.598 67.913 68.868 -0.596 0.000 0.864 297 T HN 0.551 nan 8.240 nan 0.000 0.427 298 T N 0.436 114.873 114.554 -0.195 0.000 2.833 298 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 298 T C 1.700 176.338 174.700 -0.103 0.000 1.054 298 T CA 1.700 63.725 62.100 -0.126 0.000 1.135 298 T CB -0.545 68.252 68.868 -0.118 0.000 0.869 298 T HN 0.274 nan 8.240 nan 0.000 0.466 299 D N 0.090 120.427 120.400 -0.104 0.000 2.178 299 D HA -0.020 4.620 4.640 -0.000 0.000 0.202 299 D C 2.040 178.365 176.300 0.041 0.000 0.974 299 D CA 0.605 54.579 54.000 -0.042 0.000 0.841 299 D CB -0.587 40.211 40.800 -0.003 0.000 0.953 299 D HN 0.482 nan 8.370 nan 0.000 0.478 300 C N -0.185 119.148 119.300 0.055 0.000 2.446 300 C HA -0.018 4.442 4.460 -0.000 0.000 0.277 300 C C 2.743 177.740 174.990 0.012 0.000 1.275 300 C CA 0.224 59.288 59.018 0.077 0.000 1.727 300 C CB -1.069 26.710 27.740 0.066 0.000 2.010 300 C HN 0.433 nan 8.230 nan 0.000 0.486 301 L N 0.372 121.586 121.223 -0.015 0.000 2.083 301 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 301 L C 2.906 179.767 176.870 -0.015 0.000 1.083 301 L CA 1.390 56.219 54.840 -0.018 0.000 0.752 301 L CB -0.831 41.209 42.059 -0.031 0.000 0.899 301 L HN 0.399 nan 8.230 nan 0.000 0.433 302 Q N 0.843 120.626 119.800 -0.028 0.000 2.119 302 Q HA -0.181 4.159 4.340 -0.000 0.000 0.201 302 Q C 2.181 178.188 176.000 0.013 0.000 0.972 302 Q CA 1.702 57.492 55.803 -0.022 0.000 0.847 302 Q CB -0.095 28.598 28.738 -0.075 0.000 0.903 302 Q HN 0.561 nan 8.270 nan 0.000 0.433 303 I N 0.406 120.969 120.570 -0.011 0.000 2.252 303 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 303 I C 2.356 178.476 176.117 0.006 0.000 1.102 303 I CA 0.759 62.042 61.300 -0.028 0.000 1.385 303 I CB -0.254 37.702 38.000 -0.074 0.000 1.064 303 I HN 0.140 nan 8.210 nan 0.000 0.414 304 L N 0.457 121.684 121.223 0.006 0.000 2.056 304 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 304 L C 2.766 179.652 176.870 0.027 0.000 1.078 304 L CA 1.279 56.126 54.840 0.013 0.000 0.749 304 L CB -0.590 41.473 42.059 0.008 0.000 0.901 304 L HN 0.213 nan 8.230 nan 0.000 0.433 305 A N -1.101 121.735 122.820 0.028 0.000 2.014 305 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 305 A C 0.964 178.560 177.584 0.019 0.000 1.163 305 A CA 0.095 52.141 52.037 0.014 0.000 0.652 305 A CB -0.633 18.364 19.000 -0.004 0.000 0.808 305 A HN 0.346 nan 8.150 nan 0.000 0.449 306 Y N 1.539 121.808 120.300 -0.052 0.000 2.815 306 Y HA 0.243 4.793 4.550 -0.000 0.000 0.346 306 Y C 1.412 177.283 175.900 -0.049 0.000 1.267 306 Y CA 0.570 58.637 58.100 -0.055 0.000 1.604 306 Y CB -0.361 38.061 38.460 -0.063 0.000 1.218 306 Y HN 0.529 nan 8.280 nan 0.000 0.527 307 G N 4.522 113.044 108.800 -0.463 0.000 2.203 307 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.263 307 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.263 307 G C 0.114 174.957 174.900 -0.095 0.000 1.012 307 G CA 0.375 45.308 45.100 -0.279 0.000 0.749 307 G HN 0.774 nan 8.290 nan 0.000 0.512 308 N N -0.081 118.578 118.700 -0.068 0.000 2.776 308 N HA 0.313 5.053 4.740 -0.000 0.000 0.245 308 N C 1.399 176.887 175.510 -0.037 0.000 1.121 308 N CA -0.433 52.598 53.050 -0.032 0.000 0.852 308 N CB 0.795 39.280 38.487 -0.002 0.000 1.142 308 N HN 0.110 nan 8.380 nan 0.000 0.514 309 Q N 1.025 120.800 119.800 -0.043 0.000 2.142 309 Q HA -0.235 4.105 4.340 -0.000 0.000 0.213 309 Q C 1.438 177.424 176.000 -0.024 0.000 1.004 309 Q CA 1.956 57.736 55.803 -0.037 0.000 0.883 309 Q CB -0.003 28.716 28.738 -0.033 0.000 0.939 309 Q HN 0.683 nan 8.270 nan 0.000 0.413 310 E N -1.030 119.161 120.200 -0.016 0.000 2.110 310 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 310 E C 1.803 178.399 176.600 -0.006 0.000 0.988 310 E CA 1.107 57.501 56.400 -0.009 0.000 0.804 310 E CB 0.064 29.762 29.700 -0.004 0.000 0.745 310 E HN 0.277 nan 8.360 nan 0.000 0.458 311 S N 0.684 116.380 115.700 -0.007 0.000 2.368 311 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 311 S C 1.717 176.313 174.600 -0.008 0.000 1.030 311 S CA 1.140 59.338 58.200 -0.003 0.000 0.999 311 S CB -0.093 63.106 63.200 -0.001 0.000 0.844 311 S HN 0.244 nan 8.310 nan 0.000 0.459 312 K N 1.071 121.462 120.400 -0.016 0.000 2.097 312 K HA 0.004 4.324 4.320 -0.000 0.000 0.206 312 K C 2.074 178.666 176.600 -0.013 0.000 1.049 312 K CA 0.859 57.135 56.287 -0.019 0.000 0.933 312 K CB -0.340 32.141 32.500 -0.031 0.000 0.717 312 K HN 0.269 nan 8.250 nan 0.000 0.442 313 L N 1.157 122.373 121.223 -0.012 0.000 2.046 313 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 313 L C 2.228 179.096 176.870 -0.003 0.000 1.077 313 L CA 1.266 56.102 54.840 -0.007 0.000 0.747 313 L CB -0.153 41.901 42.059 -0.007 0.000 0.896 313 L HN 0.208 nan 8.230 nan 0.000 0.432 314 I N -0.302 120.268 120.570 -0.001 0.000 2.252 314 I HA -0.338 3.832 4.170 -0.000 0.000 0.245 314 I C 2.358 178.477 176.117 0.004 0.000 1.102 314 I CA 1.334 62.636 61.300 0.003 0.000 1.385 314 I CB -0.197 37.807 38.000 0.006 0.000 1.064 314 I HN 0.214 nan 8.210 nan 0.000 0.414 315 I N 0.292 120.863 120.570 0.001 0.000 2.286 315 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 315 I C 2.504 178.623 176.117 0.003 0.000 1.115 315 I CA 1.022 62.323 61.300 0.002 0.000 1.392 315 I CB -0.240 37.758 38.000 -0.003 0.000 1.065 315 I HN 0.261 nan 8.210 nan 0.000 0.418 316 L N 1.446 122.669 121.223 0.000 0.000 2.027 316 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 316 L C 2.524 179.396 176.870 0.004 0.000 1.074 316 L CA 2.129 56.970 54.840 0.001 0.000 0.745 316 L CB -0.837 41.221 42.059 -0.002 0.000 0.898 316 L HN 0.149 nan 8.230 nan 0.000 0.433 317 A N -1.483 121.340 122.820 0.004 0.000 2.070 317 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 317 A C 2.192 179.782 177.584 0.009 0.000 1.159 317 A CA 1.707 53.748 52.037 0.006 0.000 0.656 317 A CB -0.699 18.305 19.000 0.006 0.000 0.800 317 A HN 0.552 nan 8.150 nan 0.000 0.453 318 S N -1.639 114.067 115.700 0.011 0.000 2.575 318 S HA 0.379 4.849 4.470 -0.000 0.000 0.215 318 S C 1.277 175.887 174.600 0.016 0.000 0.966 318 S CA 0.630 58.838 58.200 0.015 0.000 0.911 318 S CB 0.161 63.370 63.200 0.016 0.000 0.780 318 S HN 1.585 nan 8.310 nan 0.000 0.514 319 G N 1.169 109.977 108.800 0.014 0.000 2.137 319 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.237 319 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.237 319 G C 0.877 175.787 174.900 0.017 0.000 1.002 319 G CA 0.229 45.338 45.100 0.016 0.000 0.702 319 G HN 0.586 nan 8.290 nan 0.000 0.515 320 G N 0.941 109.748 108.800 0.013 0.000 2.491 320 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.218 320 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.218 320 G C 0.155 175.062 174.900 0.011 0.000 1.180 320 G CA 1.889 46.996 45.100 0.011 0.000 0.774 320 G HN 0.541 nan 8.290 nan 0.000 0.562 321 P HA -0.148 nan 4.420 nan 0.000 0.214 321 P C 1.857 179.167 177.300 0.017 0.000 1.163 321 P CA 1.802 64.909 63.100 0.011 0.000 0.889 321 P CB -0.041 31.664 31.700 0.008 0.000 0.790 322 Q N -0.424 119.387 119.800 0.018 0.000 2.124 322 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 322 Q C 1.968 177.987 176.000 0.030 0.000 0.977 322 Q CA 1.993 57.809 55.803 0.022 0.000 0.850 322 Q CB -1.142 27.608 28.738 0.020 0.000 0.901 322 Q HN 0.109 nan 8.270 nan 0.000 0.429 323 A N -0.206 122.634 122.820 0.033 0.000 1.897 323 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 323 A C 2.025 179.641 177.584 0.053 0.000 1.181 323 A CA 1.148 53.213 52.037 0.046 0.000 0.620 323 A CB -0.603 18.424 19.000 0.045 0.000 0.821 323 A HN 0.434 nan 8.150 nan 0.000 0.443 324 L N -0.565 120.679 121.223 0.036 0.000 2.093 324 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 324 L C 2.412 179.308 176.870 0.044 0.000 1.085 324 L CA 0.792 55.652 54.840 0.033 0.000 0.755 324 L CB -0.429 41.636 42.059 0.011 0.000 0.904 324 L HN 0.227 nan 8.230 nan 0.000 0.435 325 V N -0.049 119.889 119.914 0.040 0.000 2.548 325 V HA -0.226 3.894 4.120 -0.000 0.000 0.249 325 V C 1.984 178.110 176.094 0.053 0.000 1.055 325 V CA 1.747 64.073 62.300 0.044 0.000 1.065 325 V CB -0.682 31.161 31.823 0.034 0.000 0.681 325 V HN 0.501 nan 8.190 nan 0.000 0.462 326 N N 0.024 118.754 118.700 0.051 0.000 2.166 326 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 326 N C 1.858 177.405 175.510 0.062 0.000 1.019 326 N CA 1.226 54.302 53.050 0.043 0.000 0.856 326 N CB -0.123 38.389 38.487 0.043 0.000 0.993 326 N HN 0.399 nan 8.380 nan 0.000 0.426 327 I N 0.880 121.527 120.570 0.127 0.000 2.226 327 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 327 I C 2.099 178.340 176.117 0.207 0.000 1.100 327 I CA 0.826 62.278 61.300 0.253 0.000 1.374 327 I CB -0.089 38.054 38.000 0.238 0.000 1.057 327 I HN 0.207 nan 8.210 nan 0.000 0.413 328 M N 0.556 120.232 119.600 0.127 0.000 2.202 328 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 328 M C 1.878 178.328 176.300 0.249 0.000 1.063 328 M CA 1.637 57.012 55.300 0.125 0.000 1.097 328 M CB -1.063 31.595 32.600 0.097 0.000 1.382 328 M HN 0.364 nan 8.290 nan 0.000 0.413 329 R N -1.481 119.106 120.500 0.144 0.000 2.552 329 R HA 0.257 4.597 4.340 -0.000 0.000 0.314 329 R C 0.554 176.855 176.300 0.002 0.000 1.041 329 R CA 0.209 56.366 56.100 0.096 0.000 1.076 329 R CB -0.151 30.177 30.300 0.047 0.000 1.290 329 R HN 0.049 nan 8.270 nan 0.000 0.563 330 T N -0.919 113.601 114.554 -0.056 0.000 3.115 330 T HA 0.195 4.545 4.350 -0.000 0.000 0.256 330 T C -0.564 173.918 174.700 -0.364 0.000 0.970 330 T CA 0.323 62.249 62.100 -0.290 0.000 1.010 330 T CB 0.036 68.575 68.868 -0.548 0.000 1.151 330 T HN 0.088 nan 8.240 nan 0.000 0.479 331 Y N 1.478 121.836 120.300 0.098 0.000 2.453 331 Y HA 0.466 5.016 4.550 -0.000 0.000 0.326 331 Y C 1.692 177.675 175.900 0.139 0.000 1.186 331 Y CA -0.831 57.334 58.100 0.108 0.000 1.200 331 Y CB 1.087 39.611 38.460 0.106 0.000 1.247 331 Y HN 0.031 nan 8.280 nan 0.000 0.482 332 T N -3.301 111.444 114.554 0.319 0.000 2.975 332 T HA 0.057 4.407 4.350 -0.000 0.000 0.257 332 T C 0.025 174.861 174.700 0.226 0.000 1.003 332 T CA -0.085 62.157 62.100 0.237 0.000 0.932 332 T CB -0.532 68.441 68.868 0.175 0.000 1.087 332 T HN 0.402 nan 8.240 nan 0.000 0.512 333 Y N 4.004 124.376 120.300 0.120 0.000 2.802 333 Y HA 0.131 4.681 4.550 -0.000 0.000 0.351 333 Y C 1.694 177.625 175.900 0.052 0.000 1.237 333 Y CA -1.093 57.043 58.100 0.061 0.000 1.599 333 Y CB 0.218 38.689 38.460 0.018 0.000 1.214 333 Y HN 0.159 nan 8.280 nan 0.000 0.520 334 E N 4.652 124.703 120.200 -0.248 0.000 2.114 334 E HA -0.308 4.042 4.350 -0.000 0.000 0.199 334 E C 1.452 177.877 176.600 -0.291 0.000 1.008 334 E CA 1.876 58.136 56.400 -0.234 0.000 0.810 334 E CB 0.144 29.723 29.700 -0.202 0.000 0.739 334 E HN 0.835 nan 8.360 nan 0.000 0.456 335 K N -0.186 119.816 120.400 -0.663 0.000 2.148 335 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 335 K C 2.242 178.812 176.600 -0.050 0.000 1.050 335 K CA 0.798 56.892 56.287 -0.322 0.000 0.942 335 K CB -0.125 32.117 32.500 -0.429 0.000 0.724 335 K HN 0.063 nan 8.250 nan 0.000 0.446 336 L N 1.158 122.345 121.223 -0.059 0.000 2.109 336 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 336 L C 1.691 178.576 176.870 0.024 0.000 1.086 336 L CA 1.443 56.329 54.840 0.077 0.000 0.760 336 L CB -0.239 41.923 42.059 0.172 0.000 0.910 336 L HN 0.131 nan 8.230 nan 0.000 0.437 337 L N -2.060 119.168 121.223 0.008 0.000 2.083 337 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 337 L C 2.373 179.237 176.870 -0.011 0.000 1.083 337 L CA 1.553 56.360 54.840 -0.056 0.000 0.752 337 L CB -0.742 41.223 42.059 -0.156 0.000 0.899 337 L HN 0.511 nan 8.230 nan 0.000 0.433 338 W N 1.314 122.536 121.300 -0.130 0.000 2.409 338 W HA -0.195 4.465 4.660 0.000 0.000 0.299 338 W C 2.822 179.309 176.519 -0.052 0.000 1.203 338 W CA 2.045 59.336 57.345 -0.091 0.000 1.298 338 W CB -0.432 28.969 29.460 -0.097 0.000 1.127 338 W HN 0.221 nan 8.180 nan 0.000 0.528 339 T N -2.746 111.676 114.554 -0.220 0.000 2.821 339 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 339 T C 1.647 176.172 174.700 -0.293 0.000 1.046 339 T CA 2.065 63.917 62.100 -0.414 0.000 1.139 339 T CB -1.069 67.690 68.868 -0.182 0.000 0.871 339 T HN 0.092 nan 8.240 nan 0.000 0.454 340 T N 2.611 117.066 114.554 -0.166 0.000 2.777 340 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 340 T C 2.496 177.127 174.700 -0.116 0.000 1.040 340 T CA 1.701 63.735 62.100 -0.111 0.000 1.141 340 T CB -0.666 68.171 68.868 -0.051 0.000 0.868 340 T HN 0.744 nan 8.240 nan 0.000 0.444 341 S N 2.037 117.659 115.700 -0.131 0.000 2.399 341 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 341 S C 2.052 176.587 174.600 -0.108 0.000 1.022 341 S CA 0.778 58.924 58.200 -0.090 0.000 0.983 341 S CB -0.393 62.774 63.200 -0.055 0.000 0.803 341 S HN 0.458 nan 8.310 nan 0.000 0.480 342 R N 0.429 120.786 120.500 -0.238 0.000 2.092 342 R HA 0.076 4.416 4.340 -0.000 0.000 0.231 342 R C 2.294 178.523 176.300 -0.118 0.000 1.119 342 R CA 1.285 57.254 56.100 -0.218 0.000 0.970 342 R CB -0.605 29.433 30.300 -0.435 0.000 0.864 342 R HN 0.371 nan 8.270 nan 0.000 0.440 343 V N 1.405 121.247 119.914 -0.120 0.000 2.379 343 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 343 V C 2.261 178.329 176.094 -0.042 0.000 1.044 343 V CA 1.493 63.752 62.300 -0.070 0.000 1.036 343 V CB -0.371 31.412 31.823 -0.066 0.000 0.664 343 V HN 0.269 nan 8.190 nan 0.000 0.453 344 L N -0.069 121.131 121.223 -0.037 0.000 2.131 344 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 344 L C 2.573 179.443 176.870 -0.001 0.000 1.092 344 L CA 1.731 56.563 54.840 -0.013 0.000 0.759 344 L CB -0.501 41.556 42.059 -0.003 0.000 0.903 344 L HN 0.337 nan 8.230 nan 0.000 0.435 345 K N -0.057 120.346 120.400 0.004 0.000 2.057 345 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 345 K C 1.991 178.585 176.600 -0.011 0.000 1.050 345 K CA 1.165 57.470 56.287 0.030 0.000 0.935 345 K CB 0.092 32.638 32.500 0.076 0.000 0.715 345 K HN 0.060 nan 8.250 nan 0.000 0.439 346 V N 1.681 121.578 119.914 -0.028 0.000 2.427 346 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 346 V C 2.191 178.244 176.094 -0.068 0.000 1.051 346 V CA 1.441 63.703 62.300 -0.064 0.000 1.048 346 V CB -0.266 31.530 31.823 -0.044 0.000 0.666 346 V HN 0.328 nan 8.190 nan 0.000 0.456 347 L N 0.638 121.836 121.223 -0.042 0.000 2.156 347 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 347 L C 2.613 179.466 176.870 -0.029 0.000 1.095 347 L CA 1.469 56.287 54.840 -0.035 0.000 0.770 347 L CB -0.719 41.326 42.059 -0.022 0.000 0.914 347 L HN 0.534 nan 8.230 nan 0.000 0.439 348 S N 0.047 115.735 115.700 -0.019 0.000 2.500 348 S HA -0.101 4.369 4.470 -0.000 0.000 0.239 348 S C 1.601 176.190 174.600 -0.018 0.000 0.989 348 S CA 0.978 59.173 58.200 -0.008 0.000 0.951 348 S CB -0.743 62.465 63.200 0.013 0.000 0.759 348 S HN 0.366 nan 8.310 nan 0.000 0.523 349 V N -2.571 117.319 119.914 -0.040 0.000 3.649 349 V HA 0.397 4.517 4.120 -0.000 0.000 0.275 349 V C 0.797 176.862 176.094 -0.048 0.000 1.281 349 V CA -0.785 61.484 62.300 -0.050 0.000 1.143 349 V CB -1.428 30.345 31.823 -0.083 0.000 0.892 349 V HN 0.553 nan 8.190 nan 0.000 0.441 350 C N 1.247 120.522 119.300 -0.041 0.000 2.273 350 C HA 0.503 4.963 4.460 -0.000 0.000 0.328 350 C C 2.149 177.125 174.990 -0.023 0.000 1.275 350 C CA 0.232 59.229 59.018 -0.036 0.000 1.704 350 C CB 0.652 28.369 27.740 -0.038 0.000 2.326 350 C HN 0.617 nan 8.230 nan 0.000 0.517 351 S N 2.047 117.735 115.700 -0.020 0.000 2.419 351 S HA -0.165 4.305 4.470 -0.000 0.000 0.235 351 S C 2.020 176.613 174.600 -0.011 0.000 1.019 351 S CA 1.861 60.053 58.200 -0.013 0.000 0.982 351 S CB -0.063 63.129 63.200 -0.012 0.000 0.789 351 S HN 0.991 nan 8.310 nan 0.000 0.490 352 S N 2.354 118.046 115.700 -0.013 0.000 2.377 352 S HA 0.038 4.508 4.470 -0.000 0.000 0.223 352 S C 1.602 176.197 174.600 -0.008 0.000 1.030 352 S CA 0.611 58.806 58.200 -0.010 0.000 0.970 352 S CB -0.408 62.785 63.200 -0.011 0.000 0.830 352 S HN 0.446 nan 8.310 nan 0.000 0.473 353 N N 1.492 120.186 118.700 -0.011 0.000 2.376 353 N HA 0.041 4.781 4.740 -0.000 0.000 0.177 353 N C 1.699 177.206 175.510 -0.005 0.000 1.024 353 N CA 0.593 53.638 53.050 -0.008 0.000 0.893 353 N CB -0.181 38.298 38.487 -0.012 0.000 0.980 353 N HN 0.526 nan 8.380 nan 0.000 0.439 354 K N 1.399 121.795 120.400 -0.006 0.000 2.020 354 K HA -0.136 4.184 4.320 -0.000 0.000 0.212 354 K C -0.868 175.732 176.600 0.001 0.000 1.050 354 K CA 1.541 57.827 56.287 -0.002 0.000 0.929 354 K CB -0.567 31.932 32.500 -0.003 0.000 0.714 354 K HN 0.048 nan 8.250 nan 0.000 0.443 355 P HA -0.122 nan 4.420 nan 0.000 0.217 355 P C 0.795 178.096 177.300 0.002 0.000 1.150 355 P CA 1.773 64.873 63.100 0.000 0.000 0.832 355 P CB -0.009 31.691 31.700 -0.001 0.000 0.787 356 A N -0.762 122.059 122.820 0.002 0.000 1.898 356 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 356 A C 2.180 179.768 177.584 0.006 0.000 1.181 356 A CA 1.370 53.409 52.037 0.004 0.000 0.620 356 A CB -1.566 17.435 19.000 0.003 0.000 0.819 356 A HN 0.103 nan 8.150 nan 0.000 0.442 357 I N -0.656 119.918 120.570 0.006 0.000 2.202 357 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 357 I C 2.384 178.508 176.117 0.011 0.000 1.091 357 I CA 1.074 62.380 61.300 0.009 0.000 1.368 357 I CB -0.413 37.593 38.000 0.010 0.000 1.058 357 I HN 0.149 nan 8.210 nan 0.000 0.410 358 V N 1.245 121.163 119.914 0.008 0.000 2.233 358 V HA -0.337 3.783 4.120 -0.000 0.000 0.247 358 V C 3.068 179.164 176.094 0.005 0.000 1.050 358 V CA 2.679 64.982 62.300 0.006 0.000 1.010 358 V CB -1.313 30.512 31.823 0.003 0.000 0.637 358 V HN 0.622 nan 8.190 nan 0.000 0.444 359 E N -0.180 120.022 120.200 0.003 0.000 2.160 359 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 359 E C 2.019 178.621 176.600 0.005 0.000 0.991 359 E CA 1.646 58.047 56.400 0.003 0.000 0.810 359 E CB -0.839 28.862 29.700 0.002 0.000 0.742 359 E HN 0.755 nan 8.360 nan 0.000 0.466 360 A N -0.972 121.852 122.820 0.008 0.000 2.235 360 A HA 0.450 4.770 4.320 -0.000 0.000 0.208 360 A C 2.198 179.789 177.584 0.011 0.000 1.172 360 A CA 1.276 53.319 52.037 0.010 0.000 0.786 360 A CB -0.514 18.494 19.000 0.013 0.000 0.804 360 A HN 1.614 nan 8.150 nan 0.000 0.479 361 G N -2.382 106.424 108.800 0.010 0.000 2.131 361 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.223 361 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.223 361 G C 1.190 176.101 174.900 0.018 0.000 0.990 361 G CA 0.555 45.661 45.100 0.010 0.000 0.671 361 G HN 1.192 nan 8.290 nan 0.000 0.521 362 G N 0.312 109.124 108.800 0.020 0.000 2.446 362 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 362 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 362 G C 1.912 176.831 174.900 0.031 0.000 1.168 362 G CA 1.813 46.929 45.100 0.027 0.000 0.771 362 G HN 0.424 nan 8.290 nan 0.000 0.551 363 M N 0.262 119.875 119.600 0.022 0.000 2.065 363 M HA -0.126 4.354 4.480 -0.000 0.000 0.259 363 M C 2.680 178.992 176.300 0.021 0.000 1.069 363 M CA 1.542 56.855 55.300 0.021 0.000 1.110 363 M CB -1.397 31.209 32.600 0.010 0.000 1.328 363 M HN 0.231 nan 8.290 nan 0.000 0.405 364 Q N 0.198 120.005 119.800 0.013 0.000 2.084 364 Q HA -0.000 4.340 4.340 -0.000 0.000 0.202 364 Q C 2.290 178.299 176.000 0.016 0.000 0.978 364 Q CA 2.023 57.830 55.803 0.007 0.000 0.844 364 Q CB -0.786 27.951 28.738 -0.001 0.000 0.898 364 Q HN 0.604 nan 8.270 nan 0.000 0.426 365 A N 0.546 123.387 122.820 0.034 0.000 1.883 365 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 365 A C 2.055 179.712 177.584 0.122 0.000 1.186 365 A CA 1.399 53.476 52.037 0.066 0.000 0.624 365 A CB -0.805 18.239 19.000 0.074 0.000 0.822 365 A HN 0.357 nan 8.150 nan 0.000 0.444 366 L N -0.751 120.536 121.223 0.107 0.000 2.201 366 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 366 L C 2.720 179.656 176.870 0.109 0.000 1.105 366 L CA 0.744 55.666 54.840 0.137 0.000 0.775 366 L CB -0.599 41.510 42.059 0.083 0.000 0.913 366 L HN 0.498 nan 8.230 nan 0.000 0.440 367 G N -0.054 108.775 108.800 0.049 0.000 2.422 367 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 367 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 367 G C 1.450 176.333 174.900 -0.028 0.000 1.140 367 G CA 0.225 45.332 45.100 0.012 0.000 0.775 367 G HN 0.138 nan 8.290 nan 0.000 0.545 368 L N 0.313 121.488 121.223 -0.080 0.000 2.261 368 L HA 0.002 4.342 4.340 -0.000 0.000 0.216 368 L C 1.749 178.388 176.870 -0.386 0.000 1.114 368 L CA 1.268 55.961 54.840 -0.245 0.000 0.777 368 L CB -0.693 41.160 42.059 -0.344 0.000 0.910 368 L HN 0.357 nan 8.230 nan 0.000 0.440 369 H N -2.498 116.576 119.070 0.006 0.000 2.542 369 H HA 0.234 4.790 4.556 -0.000 0.000 0.283 369 H C 1.730 177.055 175.328 -0.005 0.000 1.059 369 H CA -0.138 55.914 56.048 0.006 0.000 1.162 369 H CB 0.130 29.903 29.762 0.019 0.000 1.539 369 H HN 0.130 nan 8.280 nan 0.000 0.543 370 L N 0.242 121.492 121.223 0.045 0.000 2.291 370 L HA -0.053 4.287 4.340 -0.000 0.000 0.214 370 L C 1.409 178.280 176.870 0.002 0.000 1.120 370 L CA 1.441 56.292 54.840 0.019 0.000 0.799 370 L CB -0.082 41.977 42.059 0.000 0.000 0.925 370 L HN 0.377 nan 8.230 nan 0.000 0.446 371 T N -5.046 109.506 114.554 -0.004 0.000 3.243 371 T HA 0.193 4.543 4.350 -0.000 0.000 0.264 371 T C 0.064 174.764 174.700 0.000 0.000 1.000 371 T CA -0.623 61.471 62.100 -0.010 0.000 0.901 371 T CB -0.217 68.639 68.868 -0.019 0.000 1.083 371 T HN -0.095 nan 8.240 nan 0.000 0.559 372 D N 2.689 123.103 120.400 0.023 0.000 2.304 372 D HA 0.319 4.959 4.640 -0.000 0.000 0.247 372 D C -1.343 174.964 176.300 0.011 0.000 1.089 372 D CA -2.105 51.918 54.000 0.038 0.000 0.910 372 D CB 1.654 42.515 40.800 0.101 0.000 1.199 372 D HN -0.008 nan 8.370 nan 0.000 0.426 373 P HA -0.091 nan 4.420 nan 0.000 0.218 373 P C 0.134 177.415 177.300 -0.032 0.000 1.148 373 P CA 0.769 63.859 63.100 -0.016 0.000 0.822 373 P CB 0.233 31.924 31.700 -0.015 0.000 0.784 374 S N 0.301 115.982 115.700 -0.032 0.000 2.481 374 S HA -0.033 4.437 4.470 -0.000 0.000 0.282 374 S C 1.319 175.884 174.600 -0.059 0.000 1.243 374 S CA -0.468 57.695 58.200 -0.062 0.000 1.078 374 S CB -0.045 63.115 63.200 -0.067 0.000 0.916 374 S HN 0.042 nan 8.310 nan 0.000 0.495 375 Q N 6.090 125.842 119.800 -0.080 0.000 2.016 375 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 375 Q C 2.106 178.051 176.000 -0.091 0.000 0.978 375 Q CA 1.882 57.636 55.803 -0.082 0.000 0.833 375 Q CB -0.312 28.377 28.738 -0.082 0.000 0.895 375 Q HN 0.964 nan 8.270 nan 0.000 0.427 376 R N 0.251 120.689 120.500 -0.104 0.000 2.159 376 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 376 R C 2.342 178.686 176.300 0.072 0.000 1.131 376 R CA 1.551 57.617 56.100 -0.056 0.000 0.982 376 R CB -0.752 29.434 30.300 -0.190 0.000 0.868 376 R HN 0.274 nan 8.270 nan 0.000 0.453 377 L N 1.002 122.255 121.223 0.050 0.000 2.068 377 L HA -0.006 4.334 4.340 -0.000 0.000 0.204 377 L C 2.193 179.084 176.870 0.036 0.000 1.076 377 L CA 1.251 56.163 54.840 0.120 0.000 0.753 377 L CB -0.270 41.830 42.059 0.069 0.000 0.910 377 L HN 0.023 nan 8.230 nan 0.000 0.439 378 V N -0.121 119.786 119.914 -0.012 0.000 2.392 378 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 378 V C 2.655 178.673 176.094 -0.126 0.000 1.059 378 V CA 1.906 64.182 62.300 -0.040 0.000 1.051 378 V CB -0.680 31.113 31.823 -0.051 0.000 0.658 378 V HN 0.576 nan 8.190 nan 0.000 0.455 379 Q N 0.548 120.218 119.800 -0.216 0.000 2.046 379 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 379 Q C 2.074 177.755 176.000 -0.532 0.000 0.975 379 Q CA 1.821 57.324 55.803 -0.500 0.000 0.836 379 Q CB -0.454 27.882 28.738 -0.670 0.000 0.896 379 Q HN 0.614 nan 8.270 nan 0.000 0.428 380 N N -0.786 117.801 118.700 -0.188 0.000 2.223 380 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 380 N C 1.681 177.237 175.510 0.077 0.000 1.016 380 N CA 1.326 54.428 53.050 0.088 0.000 0.863 380 N CB -0.278 38.309 38.487 0.166 0.000 0.983 380 N HN 0.326 nan 8.380 nan 0.000 0.429 381 C N 0.824 120.134 119.300 0.015 0.000 2.440 381 C HA 0.016 4.476 4.460 -0.000 0.000 0.278 381 C C 2.845 177.853 174.990 0.030 0.000 1.295 381 C CA 0.124 59.164 59.018 0.037 0.000 1.738 381 C CB -1.126 26.641 27.740 0.045 0.000 1.987 381 C HN 0.401 nan 8.230 nan 0.000 0.492 382 L N -0.662 120.535 121.223 -0.043 0.000 2.005 382 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 382 L C 2.767 179.686 176.870 0.082 0.000 1.072 382 L CA 1.576 56.392 54.840 -0.041 0.000 0.744 382 L CB -0.649 41.312 42.059 -0.164 0.000 0.895 382 L HN 0.460 nan 8.230 nan 0.000 0.433 383 W N 0.410 121.728 121.300 0.029 0.000 2.321 383 W HA -0.173 4.487 4.660 -0.000 0.000 0.306 383 W C 2.669 179.197 176.519 0.014 0.000 1.217 383 W CA 1.593 58.952 57.345 0.023 0.000 1.257 383 W CB -1.563 27.912 29.460 0.025 0.000 1.145 383 W HN 0.206 nan 8.180 nan 0.000 0.509 384 T N 1.019 115.725 114.554 0.254 0.000 2.777 384 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 384 T C 2.149 176.909 174.700 0.099 0.000 1.040 384 T CA 1.187 63.372 62.100 0.141 0.000 1.141 384 T CB -0.630 68.300 68.868 0.102 0.000 0.868 384 T HN -0.000 nan 8.240 nan 0.000 0.444 385 L N 0.545 121.822 121.223 0.091 0.000 2.042 385 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 385 L C 2.867 179.778 176.870 0.068 0.000 1.076 385 L CA 1.365 56.244 54.840 0.065 0.000 0.749 385 L CB -0.408 41.681 42.059 0.051 0.000 0.893 385 L HN 0.150 nan 8.230 nan 0.000 0.432 386 R N 0.029 120.586 120.500 0.094 0.000 2.096 386 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 386 R C 2.086 178.429 176.300 0.072 0.000 1.127 386 R CA 1.599 57.753 56.100 0.091 0.000 0.968 386 R CB -0.080 30.297 30.300 0.129 0.000 0.861 386 R HN 0.404 nan 8.270 nan 0.000 0.440 387 N N 0.483 119.226 118.700 0.073 0.000 2.188 387 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 387 N C 1.698 177.226 175.510 0.031 0.000 1.018 387 N CA 1.130 54.205 53.050 0.043 0.000 0.858 387 N CB -0.058 38.448 38.487 0.033 0.000 0.989 387 N HN 0.292 nan 8.380 nan 0.000 0.426 388 L N 0.820 122.063 121.223 0.035 0.000 2.341 388 L HA 0.027 4.367 4.340 -0.000 0.000 0.214 388 L C 2.221 179.104 176.870 0.022 0.000 1.115 388 L CA 0.379 55.233 54.840 0.024 0.000 0.820 388 L CB -0.414 41.660 42.059 0.025 0.000 0.944 388 L HN 0.129 nan 8.230 nan 0.000 0.452 389 S N 0.296 116.013 115.700 0.029 0.000 2.420 389 S HA -0.231 4.239 4.470 -0.000 0.000 0.237 389 S C 1.577 176.189 174.600 0.019 0.000 1.023 389 S CA 1.476 59.691 58.200 0.025 0.000 0.991 389 S CB -0.564 62.657 63.200 0.036 0.000 0.792 389 S HN 0.637 nan 8.310 nan 0.000 0.488 390 D N 1.834 122.246 120.400 0.020 0.000 2.347 390 D HA 0.165 4.805 4.640 -0.000 0.000 0.215 390 D C 1.355 177.658 176.300 0.005 0.000 0.976 390 D CA 0.874 54.883 54.000 0.014 0.000 0.884 390 D CB -0.316 40.494 40.800 0.017 0.000 0.915 390 D HN 0.595 nan 8.370 nan 0.000 0.526 391 A N -0.284 122.538 122.820 0.005 0.000 2.430 391 A HA 0.632 4.952 4.320 -0.000 0.000 0.243 391 A C 1.528 179.110 177.584 -0.002 0.000 1.254 391 A CA 0.203 52.240 52.037 0.000 0.000 0.914 391 A CB 0.252 19.253 19.000 0.002 0.000 0.998 391 A HN 0.252 nan 8.150 nan 0.000 0.515 392 A N -0.562 122.256 122.820 -0.003 0.000 2.713 392 A HA 0.397 4.717 4.320 -0.000 0.000 0.296 392 A C 1.161 178.734 177.584 -0.019 0.000 1.255 392 A CA 0.469 52.501 52.037 -0.008 0.000 0.955 392 A CB -0.747 18.251 19.000 -0.003 0.000 1.149 392 A HN 0.144 nan 8.150 nan 0.000 0.538 393 T N -0.033 114.508 114.554 -0.022 0.000 3.072 393 T HA 0.056 4.406 4.350 -0.000 0.000 0.266 393 T C 1.942 176.615 174.700 -0.044 0.000 1.127 393 T CA 1.782 63.861 62.100 -0.035 0.000 1.107 393 T CB 0.031 68.879 68.868 -0.032 0.000 0.910 393 T HN 0.654 nan 8.240 nan 0.000 0.513 394 K N 0.606 120.985 120.400 -0.034 0.000 2.358 394 K HA 0.270 4.590 4.320 -0.000 0.000 0.200 394 K C 0.763 177.340 176.600 -0.038 0.000 1.030 394 K CA -0.065 56.200 56.287 -0.037 0.000 1.097 394 K CB 0.093 32.579 32.500 -0.023 0.000 0.862 394 K HN 0.179 nan 8.250 nan 0.000 0.534 395 Q N 1.340 121.118 119.800 -0.036 0.000 2.373 395 Q HA 0.242 4.582 4.340 -0.000 0.000 0.255 395 Q C -0.460 175.514 176.000 -0.043 0.000 0.980 395 Q CA 0.133 55.917 55.803 -0.032 0.000 0.882 395 Q CB 1.145 29.869 28.738 -0.023 0.000 1.249 395 Q HN 0.471 nan 8.270 nan 0.000 0.438 396 E N -0.618 119.561 120.200 -0.035 0.000 2.281 396 E HA 0.459 4.809 4.350 -0.000 0.000 0.257 396 E C 0.179 176.762 176.600 -0.028 0.000 0.971 396 E CA -0.418 55.959 56.400 -0.038 0.000 0.839 396 E CB 1.417 31.098 29.700 -0.032 0.000 1.238 396 E HN 0.757 nan 8.360 nan 0.000 0.412 397 G N 1.192 109.976 108.800 -0.027 0.000 2.198 397 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 397 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 397 G C 0.669 175.556 174.900 -0.022 0.000 1.025 397 G CA 0.556 45.643 45.100 -0.021 0.000 0.769 397 G HN 0.268 nan 8.290 nan 0.000 0.507 398 M N -0.278 119.306 119.600 -0.027 0.000 2.495 398 M HA 0.164 4.644 4.480 -0.000 0.000 0.237 398 M C 1.848 178.134 176.300 -0.023 0.000 1.131 398 M CA 0.746 56.031 55.300 -0.025 0.000 1.032 398 M CB -0.334 32.247 32.600 -0.032 0.000 1.513 398 M HN 0.564 nan 8.290 nan 0.000 0.488 399 E N 0.987 121.173 120.200 -0.023 0.000 2.070 399 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 399 E C 1.976 178.566 176.600 -0.017 0.000 1.004 399 E CA 1.738 58.127 56.400 -0.019 0.000 0.805 399 E CB -0.035 29.655 29.700 -0.016 0.000 0.744 399 E HN 0.524 nan 8.360 nan 0.000 0.451 400 G N 1.311 110.101 108.800 -0.018 0.000 2.418 400 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 400 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 400 G C 1.510 176.399 174.900 -0.018 0.000 1.158 400 G CA 0.907 45.995 45.100 -0.019 0.000 0.771 400 G HN 0.314 nan 8.290 nan 0.000 0.545 401 L N 0.632 121.845 121.223 -0.016 0.000 1.994 401 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 401 L C 2.738 179.602 176.870 -0.010 0.000 1.071 401 L CA 1.523 56.356 54.840 -0.012 0.000 0.745 401 L CB -0.648 41.407 42.059 -0.007 0.000 0.892 401 L HN 0.227 nan 8.230 nan 0.000 0.431 402 L N -0.474 120.742 121.223 -0.012 0.000 2.042 402 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 402 L C 2.586 179.450 176.870 -0.010 0.000 1.076 402 L CA 1.383 56.216 54.840 -0.011 0.000 0.749 402 L CB -1.593 40.456 42.059 -0.016 0.000 0.893 402 L HN 0.498 nan 8.230 nan 0.000 0.432 403 G N -0.572 108.221 108.800 -0.011 0.000 2.446 403 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 403 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 403 G C 1.570 176.463 174.900 -0.012 0.000 1.168 403 G CA 1.418 46.511 45.100 -0.011 0.000 0.771 403 G HN 0.322 nan 8.290 nan 0.000 0.551 404 T N 1.499 116.045 114.554 -0.013 0.000 2.708 404 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 404 T C 2.450 177.143 174.700 -0.012 0.000 1.037 404 T CA 1.062 63.154 62.100 -0.014 0.000 1.146 404 T CB -0.258 68.601 68.868 -0.016 0.000 0.865 404 T HN 0.163 nan 8.240 nan 0.000 0.435 405 L N 0.756 121.973 121.223 -0.009 0.000 2.042 405 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 405 L C 2.695 179.560 176.870 -0.008 0.000 1.076 405 L CA 0.955 55.792 54.840 -0.007 0.000 0.749 405 L CB -0.875 41.183 42.059 -0.001 0.000 0.893 405 L HN 0.144 nan 8.230 nan 0.000 0.432 406 V N -0.434 119.475 119.914 -0.008 0.000 2.255 406 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 406 V C 2.493 178.579 176.094 -0.013 0.000 1.051 406 V CA 1.921 64.215 62.300 -0.010 0.000 1.018 406 V CB -0.651 31.165 31.823 -0.011 0.000 0.641 406 V HN 0.500 nan 8.190 nan 0.000 0.445 407 Q N -0.418 119.374 119.800 -0.014 0.000 2.112 407 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 407 Q C 2.195 178.185 176.000 -0.016 0.000 0.987 407 Q CA 1.616 57.409 55.803 -0.015 0.000 0.858 407 Q CB -0.321 28.408 28.738 -0.015 0.000 0.905 407 Q HN 0.563 nan 8.270 nan 0.000 0.420 408 L N 0.407 121.621 121.223 -0.016 0.000 2.456 408 L HA -0.135 4.205 4.340 -0.000 0.000 0.224 408 L C 1.961 178.822 176.870 -0.015 0.000 1.148 408 L CA 0.380 55.209 54.840 -0.018 0.000 0.825 408 L CB -0.301 41.746 42.059 -0.020 0.000 0.937 408 L HN 0.286 nan 8.230 nan 0.000 0.450 409 L N -0.304 120.911 121.223 -0.013 0.000 2.362 409 L HA -0.074 4.266 4.340 -0.000 0.000 0.219 409 L C 2.203 179.066 176.870 -0.011 0.000 1.134 409 L CA 0.844 55.679 54.840 -0.010 0.000 0.807 409 L CB -0.547 41.506 42.059 -0.010 0.000 0.927 409 L HN 0.290 nan 8.230 nan 0.000 0.447 410 G N -1.291 107.500 108.800 -0.014 0.000 3.141 410 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.218 410 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.218 410 G C 0.684 175.576 174.900 -0.014 0.000 1.170 410 G CA -0.033 45.058 45.100 -0.015 0.000 0.769 410 G HN 0.217 nan 8.290 nan 0.000 0.546 411 S N -0.282 115.409 115.700 -0.015 0.000 2.589 411 S HA 0.111 4.581 4.470 -0.000 0.000 0.265 411 S C 0.761 175.354 174.600 -0.013 0.000 1.342 411 S CA -0.301 57.889 58.200 -0.016 0.000 1.005 411 S CB 0.801 63.988 63.200 -0.022 0.000 0.909 411 S HN 0.272 nan 8.310 nan 0.000 0.555 412 D N 0.553 120.945 120.400 -0.013 0.000 2.369 412 D HA 0.083 4.723 4.640 -0.000 0.000 0.211 412 D C -0.553 175.742 176.300 -0.008 0.000 1.077 412 D CA 0.076 54.071 54.000 -0.009 0.000 0.842 412 D CB 0.161 40.955 40.800 -0.010 0.000 0.947 412 D HN 0.493 nan 8.370 nan 0.000 0.509 413 D N 1.218 121.611 120.400 -0.012 0.000 2.396 413 D HA 0.076 4.716 4.640 -0.000 0.000 0.225 413 D C 1.387 177.685 176.300 -0.003 0.000 1.121 413 D CA -0.561 53.432 54.000 -0.012 0.000 0.853 413 D CB 1.223 42.006 40.800 -0.028 0.000 1.043 413 D HN -0.185 nan 8.370 nan 0.000 0.500 414 I N 3.936 124.512 120.570 0.010 0.000 2.185 414 I HA -0.342 3.828 4.170 -0.000 0.000 0.246 414 I C 2.163 178.299 176.117 0.032 0.000 1.088 414 I CA 1.073 62.386 61.300 0.023 0.000 1.347 414 I CB -0.381 37.638 38.000 0.033 0.000 1.041 414 I HN 0.469 nan 8.210 nan 0.000 0.415 415 N N 0.018 118.739 118.700 0.036 0.000 2.166 415 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 415 N C 2.026 177.533 175.510 -0.006 0.000 1.019 415 N CA 1.357 54.438 53.050 0.051 0.000 0.856 415 N CB -0.355 38.165 38.487 0.055 0.000 0.993 415 N HN 0.236 nan 8.380 nan 0.000 0.426 416 V N 0.917 120.806 119.914 -0.042 0.000 2.379 416 V HA -0.124 3.996 4.120 -0.000 0.000 0.245 416 V C 2.440 178.520 176.094 -0.023 0.000 1.044 416 V CA 0.974 63.238 62.300 -0.060 0.000 1.036 416 V CB -0.291 31.494 31.823 -0.064 0.000 0.664 416 V HN 0.038 nan 8.190 nan 0.000 0.453 417 V N -0.175 119.735 119.914 -0.006 0.000 2.358 417 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 417 V C 2.568 178.674 176.094 0.018 0.000 1.047 417 V CA 2.532 64.834 62.300 0.004 0.000 1.035 417 V CB -1.035 30.791 31.823 0.006 0.000 0.658 417 V HN 0.601 nan 8.190 nan 0.000 0.452 418 T N -1.009 113.565 114.554 0.033 0.000 2.720 418 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 418 T C 1.962 176.699 174.700 0.062 0.000 1.037 418 T CA 2.000 64.131 62.100 0.053 0.000 1.144 418 T CB -0.522 68.391 68.868 0.076 0.000 0.864 418 T HN 0.520 nan 8.240 nan 0.000 0.444 419 C N 1.446 120.783 119.300 0.062 0.000 2.446 419 C HA 0.174 4.634 4.460 -0.000 0.000 0.277 419 C C 3.256 178.272 174.990 0.043 0.000 1.275 419 C CA 0.240 59.301 59.018 0.070 0.000 1.727 419 C CB -1.389 26.379 27.740 0.047 0.000 2.010 419 C HN 0.662 nan 8.230 nan 0.000 0.486 420 A N 0.479 123.311 122.820 0.020 0.000 1.933 420 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 420 A C 2.319 179.915 177.584 0.020 0.000 1.175 420 A CA 2.091 54.136 52.037 0.013 0.000 0.628 420 A CB -0.762 18.238 19.000 0.001 0.000 0.814 420 A HN 0.578 nan 8.150 nan 0.000 0.444 421 A N -0.541 122.293 122.820 0.024 0.000 1.873 421 A HA 0.180 4.500 4.320 -0.000 0.000 0.215 421 A C 2.410 180.013 177.584 0.032 0.000 1.186 421 A CA 1.812 53.862 52.037 0.023 0.000 0.616 421 A CB -1.331 17.682 19.000 0.022 0.000 0.823 421 A HN 0.686 nan 8.150 nan 0.000 0.442 422 G N 0.059 108.887 108.800 0.045 0.000 2.402 422 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 422 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 422 G C 1.527 176.462 174.900 0.058 0.000 1.162 422 G CA 1.111 46.245 45.100 0.056 0.000 0.777 422 G HN 0.465 nan 8.290 nan 0.000 0.539 423 I N 0.341 120.943 120.570 0.053 0.000 2.179 423 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 423 I C 2.719 178.862 176.117 0.044 0.000 1.088 423 I CA 0.680 62.008 61.300 0.048 0.000 1.357 423 I CB -0.241 37.783 38.000 0.039 0.000 1.051 423 I HN 0.108 nan 8.210 nan 0.000 0.409 424 L N -0.209 121.037 121.223 0.038 0.000 2.083 424 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 424 L C 2.767 179.678 176.870 0.068 0.000 1.083 424 L CA 1.308 56.171 54.840 0.037 0.000 0.752 424 L CB -0.511 41.562 42.059 0.024 0.000 0.899 424 L HN 0.265 nan 8.230 nan 0.000 0.433 425 S N 0.162 115.906 115.700 0.074 0.000 2.351 425 S HA -0.190 4.280 4.470 -0.000 0.000 0.220 425 S C 1.829 176.559 174.600 0.217 0.000 1.035 425 S CA 1.742 60.018 58.200 0.126 0.000 1.031 425 S CB -0.177 63.064 63.200 0.068 0.000 0.928 425 S HN 0.444 nan 8.310 nan 0.000 0.433 426 N N 1.472 120.248 118.700 0.128 0.000 2.104 426 N HA -0.010 4.730 4.740 -0.000 0.000 0.190 426 N C 1.709 177.247 175.510 0.046 0.000 1.024 426 N CA 1.113 54.215 53.050 0.087 0.000 0.853 426 N CB -0.640 37.882 38.487 0.058 0.000 1.008 426 N HN 0.425 nan 8.380 nan 0.000 0.424 427 L N 0.505 121.754 121.223 0.042 0.000 2.291 427 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 427 L C 1.780 178.649 176.870 -0.002 0.000 1.120 427 L CA 1.169 56.016 54.840 0.011 0.000 0.799 427 L CB -0.539 41.524 42.059 0.007 0.000 0.925 427 L HN 0.304 nan 8.230 nan 0.000 0.446 428 T N -4.968 109.610 114.554 0.040 0.000 3.060 428 T HA 0.026 4.376 4.350 -0.000 0.000 0.249 428 T C 0.792 175.460 174.700 -0.054 0.000 1.079 428 T CA -0.376 61.739 62.100 0.026 0.000 1.013 428 T CB -0.558 68.368 68.868 0.097 0.000 0.975 428 T HN 0.191 nan 8.240 nan 0.000 0.518 429 C N 3.693 122.904 119.300 -0.149 0.000 2.663 429 C HA 0.247 4.707 4.460 -0.000 0.000 0.398 429 C C 0.849 175.706 174.990 -0.223 0.000 1.356 429 C CA -0.343 58.400 59.018 -0.458 0.000 1.629 429 C CB -2.098 25.444 27.740 -0.330 0.000 2.402 429 C HN 0.723 nan 8.230 nan 0.000 0.598 430 N N 3.404 121.988 118.700 -0.193 0.000 2.727 430 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 430 N C -0.664 174.828 175.510 -0.029 0.000 1.048 430 N CA 1.140 54.149 53.050 -0.067 0.000 0.714 430 N CB -1.106 37.349 38.487 -0.053 0.000 0.959 430 N HN 0.903 nan 8.380 nan 0.000 0.544 431 N N 0.282 118.959 118.700 -0.039 0.000 2.607 431 N HA 0.057 4.797 4.740 -0.000 0.000 0.271 431 N C 0.970 176.433 175.510 -0.077 0.000 1.142 431 N CA -0.478 52.524 53.050 -0.081 0.000 0.810 431 N CB 0.453 38.872 38.487 -0.112 0.000 1.306 431 N HN 0.193 nan 8.380 nan 0.000 0.536 432 Y N 3.049 123.337 120.300 -0.020 0.000 2.224 432 Y HA 0.015 4.565 4.550 -0.000 0.000 0.289 432 Y C 1.629 177.505 175.900 -0.041 0.000 1.146 432 Y CA 1.204 59.297 58.100 -0.012 0.000 1.182 432 Y CB -0.163 38.331 38.460 0.057 0.000 0.983 432 Y HN 0.252 nan 8.280 nan 0.000 0.524 433 K N 0.419 120.477 120.400 -0.571 0.000 2.026 433 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 433 K C 1.764 178.270 176.600 -0.156 0.000 1.048 433 K CA 1.626 57.718 56.287 -0.325 0.000 0.929 433 K CB -0.252 31.989 32.500 -0.432 0.000 0.713 433 K HN 0.323 nan 8.250 nan 0.000 0.439 434 N N 1.078 119.680 118.700 -0.165 0.000 2.188 434 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 434 N C 1.406 176.852 175.510 -0.107 0.000 1.018 434 N CA 1.178 54.164 53.050 -0.106 0.000 0.858 434 N CB -0.036 38.398 38.487 -0.088 0.000 0.989 434 N HN 0.191 nan 8.380 nan 0.000 0.426 435 K N 0.106 120.410 120.400 -0.161 0.000 2.057 435 K HA -0.006 4.314 4.320 -0.000 0.000 0.207 435 K C 1.948 178.369 176.600 -0.298 0.000 1.049 435 K CA 0.899 57.007 56.287 -0.298 0.000 0.931 435 K CB -0.072 32.084 32.500 -0.574 0.000 0.714 435 K HN 0.100 nan 8.250 nan 0.000 0.440 436 M N 0.410 119.904 119.600 -0.177 0.000 2.065 436 M HA -0.171 4.309 4.480 -0.000 0.000 0.259 436 M C 2.281 178.586 176.300 0.007 0.000 1.069 436 M CA 1.829 57.132 55.300 0.004 0.000 1.110 436 M CB -0.718 31.943 32.600 0.101 0.000 1.328 436 M HN 0.246 nan 8.290 nan 0.000 0.405 437 M N -0.847 118.743 119.600 -0.017 0.000 2.132 437 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 437 M C 2.207 178.502 176.300 -0.008 0.000 1.065 437 M CA 1.125 56.420 55.300 -0.009 0.000 1.122 437 M CB -0.506 32.081 32.600 -0.021 0.000 1.365 437 M HN 0.040 nan 8.290 nan 0.000 0.411 438 V N -0.275 119.625 119.914 -0.023 0.000 2.343 438 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 438 V C 2.364 178.462 176.094 0.005 0.000 1.051 438 V CA 1.701 63.993 62.300 -0.013 0.000 1.036 438 V CB -0.624 31.187 31.823 -0.019 0.000 0.654 438 V HN 0.600 nan 8.190 nan 0.000 0.451 439 C N -0.588 118.722 119.300 0.015 0.000 2.446 439 C HA -0.169 4.291 4.460 -0.000 0.000 0.277 439 C C 2.820 177.842 174.990 0.054 0.000 1.275 439 C CA 0.866 59.918 59.018 0.056 0.000 1.727 439 C CB -1.071 26.740 27.740 0.118 0.000 2.010 439 C HN 0.605 nan 8.230 nan 0.000 0.486 440 Q N 0.618 120.445 119.800 0.045 0.000 2.135 440 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 440 Q C 1.831 177.848 176.000 0.028 0.000 0.981 440 Q CA 1.773 57.600 55.803 0.040 0.000 0.856 440 Q CB -0.247 28.512 28.738 0.035 0.000 0.902 440 Q HN 0.753 nan 8.270 nan 0.000 0.425 441 V N -2.798 117.126 119.914 0.017 0.000 3.490 441 V HA 0.422 4.542 4.120 -0.000 0.000 0.315 441 V C 0.822 176.919 176.094 0.004 0.000 1.284 441 V CA 0.411 62.716 62.300 0.008 0.000 1.233 441 V CB -0.624 31.200 31.823 0.001 0.000 1.101 441 V HN 0.390 nan 8.190 nan 0.000 0.425 442 G N -0.146 108.660 108.800 0.011 0.000 2.182 442 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.248 442 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.248 442 G C 0.892 175.780 174.900 -0.020 0.000 1.042 442 G CA 0.299 45.396 45.100 -0.005 0.000 0.775 442 G HN 1.159 nan 8.290 nan 0.000 0.501 443 G N 0.138 108.938 108.800 0.001 0.000 2.440 443 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.218 443 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.218 443 G C 1.746 176.645 174.900 -0.002 0.000 1.154 443 G CA 1.409 46.508 45.100 -0.001 0.000 0.767 443 G HN 0.504 nan 8.290 nan 0.000 0.552 444 I N 0.996 121.576 120.570 0.018 0.000 2.142 444 I HA -0.115 4.055 4.170 -0.000 0.000 0.240 444 I C 2.628 178.729 176.117 -0.028 0.000 1.078 444 I CA 1.205 62.526 61.300 0.034 0.000 1.343 444 I CB -1.027 37.036 38.000 0.105 0.000 1.046 444 I HN 0.236 nan 8.210 nan 0.000 0.405 445 E N 1.651 121.753 120.200 -0.164 0.000 2.058 445 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 445 E C 2.187 178.684 176.600 -0.171 0.000 0.997 445 E CA 1.883 58.047 56.400 -0.394 0.000 0.801 445 E CB 0.017 29.337 29.700 -0.634 0.000 0.746 445 E HN 0.402 nan 8.360 nan 0.000 0.450 446 A N 1.149 123.905 122.820 -0.107 0.000 1.902 446 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 446 A C 2.553 180.118 177.584 -0.032 0.000 1.181 446 A CA 1.426 53.428 52.037 -0.059 0.000 0.623 446 A CB -0.729 18.247 19.000 -0.040 0.000 0.818 446 A HN 0.324 nan 8.150 nan 0.000 0.443 447 L N -0.743 120.467 121.223 -0.021 0.000 2.093 447 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 447 L C 2.531 179.404 176.870 0.005 0.000 1.085 447 L CA 0.855 55.692 54.840 -0.004 0.000 0.755 447 L CB -0.435 41.625 42.059 0.003 0.000 0.904 447 L HN 0.249 nan 8.230 nan 0.000 0.435 448 V N -0.306 119.614 119.914 0.010 0.000 2.295 448 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 448 V C 2.642 178.752 176.094 0.027 0.000 1.049 448 V CA 1.690 64.011 62.300 0.035 0.000 1.024 448 V CB -0.557 31.309 31.823 0.071 0.000 0.648 448 V HN 0.392 nan 8.190 nan 0.000 0.447 449 R N -0.403 120.101 120.500 0.006 0.000 2.083 449 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 449 R C 2.433 178.735 176.300 0.004 0.000 1.137 449 R CA 2.103 58.205 56.100 0.003 0.000 0.951 449 R CB -0.697 29.594 30.300 -0.015 0.000 0.851 449 R HN 0.525 nan 8.270 nan 0.000 0.434 450 T N 0.537 115.092 114.554 0.001 0.000 2.684 450 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 450 T C 1.913 176.620 174.700 0.010 0.000 1.036 450 T CA 1.497 63.599 62.100 0.004 0.000 1.148 450 T CB -0.199 68.671 68.868 0.003 0.000 0.863 450 T HN 0.020 nan 8.240 nan 0.000 0.436 451 V N 1.354 121.277 119.914 0.014 0.000 2.407 451 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 451 V C 2.444 178.549 176.094 0.019 0.000 1.055 451 V CA 1.346 63.657 62.300 0.018 0.000 1.049 451 V CB -0.674 31.163 31.823 0.023 0.000 0.662 451 V HN 0.432 nan 8.190 nan 0.000 0.455 452 L N -0.634 120.602 121.223 0.021 0.000 2.027 452 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 452 L C 2.803 179.679 176.870 0.010 0.000 1.074 452 L CA 1.667 56.518 54.840 0.019 0.000 0.745 452 L CB -0.516 41.556 42.059 0.022 0.000 0.898 452 L HN 0.214 nan 8.230 nan 0.000 0.433 453 R N -0.166 120.339 120.500 0.007 0.000 2.096 453 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 453 R C 2.326 178.630 176.300 0.006 0.000 1.127 453 R CA 1.218 57.321 56.100 0.004 0.000 0.968 453 R CB -0.433 29.868 30.300 0.002 0.000 0.861 453 R HN 0.330 nan 8.270 nan 0.000 0.440 454 A N 0.739 123.565 122.820 0.009 0.000 2.067 454 A HA 0.090 4.410 4.320 -0.000 0.000 0.219 454 A C 1.565 179.154 177.584 0.010 0.000 1.158 454 A CA 1.219 53.263 52.037 0.012 0.000 0.661 454 A CB -0.696 18.314 19.000 0.015 0.000 0.801 454 A HN 0.481 nan 8.150 nan 0.000 0.452 455 G N 0.812 109.616 108.800 0.008 0.000 2.629 455 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.313 455 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.313 455 G C 0.515 175.417 174.900 0.002 0.000 1.217 455 G CA 0.955 46.057 45.100 0.004 0.000 0.994 455 G HN 1.006 nan 8.290 nan 0.000 0.549 456 D N 1.642 122.041 120.400 -0.002 0.000 2.336 456 D HA 0.441 5.081 4.640 -0.000 0.000 0.228 456 D C 1.336 177.640 176.300 0.007 0.000 1.120 456 D CA 1.075 55.071 54.000 -0.007 0.000 0.839 456 D CB -0.686 40.103 40.800 -0.018 0.000 0.932 456 D HN 0.960 nan 8.370 nan 0.000 0.509 457 R N 1.327 121.836 120.500 0.015 0.000 2.612 457 R HA 0.183 4.523 4.340 -0.000 0.000 0.273 457 R C 0.863 177.183 176.300 0.033 0.000 1.376 457 R CA -0.232 55.884 56.100 0.027 0.000 1.171 457 R CB -1.393 28.923 30.300 0.025 0.000 1.151 457 R HN 0.379 nan 8.270 nan 0.000 0.560 458 E N 0.695 120.922 120.200 0.044 0.000 2.265 458 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 458 E C 0.740 177.373 176.600 0.055 0.000 0.996 458 E CA 1.597 58.029 56.400 0.054 0.000 0.832 458 E CB 0.240 29.993 29.700 0.089 0.000 0.756 458 E HN 0.961 nan 8.360 nan 0.000 0.491 459 D N 0.022 120.454 120.400 0.053 0.000 2.312 459 D HA -0.102 4.538 4.640 -0.000 0.000 0.211 459 D C 1.631 177.959 176.300 0.047 0.000 0.964 459 D CA 0.704 54.735 54.000 0.052 0.000 0.877 459 D CB 0.017 40.848 40.800 0.052 0.000 0.924 459 D HN 0.228 nan 8.370 nan 0.000 0.515 460 I N 0.290 120.884 120.570 0.040 0.000 2.899 460 I HA -0.085 4.085 4.170 -0.000 0.000 0.257 460 I C 2.398 178.532 176.117 0.027 0.000 1.115 460 I CA 1.034 62.354 61.300 0.034 0.000 1.451 460 I CB -0.468 37.549 38.000 0.029 0.000 1.251 460 I HN 0.109 nan 8.210 nan 0.000 0.456 461 T N -1.203 113.367 114.554 0.026 0.000 2.746 461 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 461 T C 1.704 176.416 174.700 0.020 0.000 1.039 461 T CA 1.522 63.635 62.100 0.021 0.000 1.142 461 T CB -0.495 68.385 68.868 0.020 0.000 0.866 461 T HN 0.318 nan 8.240 nan 0.000 0.444 462 E N 1.873 122.090 120.200 0.029 0.000 2.070 462 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 462 E C -0.508 176.100 176.600 0.014 0.000 1.004 462 E CA 1.520 57.937 56.400 0.029 0.000 0.805 462 E CB -0.736 28.992 29.700 0.046 0.000 0.744 462 E HN 0.448 nan 8.360 nan 0.000 0.451 463 P HA -0.084 nan 4.420 nan 0.000 0.216 463 P C 1.002 178.293 177.300 -0.015 0.000 1.153 463 P CA 1.924 65.030 63.100 0.010 0.000 0.844 463 P CB -0.086 31.631 31.700 0.028 0.000 0.787 464 A N -0.243 122.574 122.820 -0.004 0.000 1.902 464 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 464 A C 2.141 179.708 177.584 -0.028 0.000 1.181 464 A CA 1.462 53.493 52.037 -0.011 0.000 0.623 464 A CB -1.566 17.436 19.000 0.003 0.000 0.818 464 A HN 0.032 nan 8.150 nan 0.000 0.443 465 I N -0.221 120.335 120.570 -0.024 0.000 2.252 465 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 465 I C 2.586 178.650 176.117 -0.088 0.000 1.102 465 I CA 1.003 62.285 61.300 -0.030 0.000 1.385 465 I CB -1.595 36.402 38.000 -0.005 0.000 1.064 465 I HN 0.367 nan 8.210 nan 0.000 0.414 466 C N 0.858 120.083 119.300 -0.124 0.000 2.425 466 C HA -0.113 4.347 4.460 -0.000 0.000 0.277 466 C C 3.145 177.782 174.990 -0.590 0.000 1.280 466 C CA 0.944 59.787 59.018 -0.292 0.000 1.744 466 C CB -1.190 26.437 27.740 -0.189 0.000 1.989 466 C HN 0.593 nan 8.230 nan 0.000 0.491 467 A N 0.132 122.771 122.820 -0.302 0.000 1.898 467 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 467 A C 2.104 179.614 177.584 -0.124 0.000 1.181 467 A CA 1.288 53.205 52.037 -0.200 0.000 0.620 467 A CB -0.582 18.388 19.000 -0.049 0.000 0.819 467 A HN 0.597 nan 8.150 nan 0.000 0.442 468 L N -1.026 120.147 121.223 -0.084 0.000 2.083 468 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 468 L C 2.809 179.678 176.870 -0.001 0.000 1.083 468 L CA 1.715 56.545 54.840 -0.016 0.000 0.752 468 L CB -0.425 41.634 42.059 -0.001 0.000 0.899 468 L HN 0.470 nan 8.230 nan 0.000 0.433 469 R N -0.510 119.952 120.500 -0.062 0.000 2.081 469 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 469 R C 2.216 178.585 176.300 0.115 0.000 1.131 469 R CA 1.597 57.700 56.100 0.005 0.000 0.960 469 R CB -0.236 30.049 30.300 -0.025 0.000 0.856 469 R HN 0.511 nan 8.270 nan 0.000 0.436 470 H N -0.273 118.834 119.070 0.061 0.000 2.389 470 H HA -0.052 4.504 4.556 0.000 0.000 0.299 470 H C 2.033 177.411 175.328 0.084 0.000 1.081 470 H CA 1.172 57.258 56.048 0.062 0.000 1.345 470 H CB 0.085 29.868 29.762 0.036 0.000 1.393 470 H HN 0.174 nan 8.280 nan 0.000 0.520 471 L N 0.706 122.041 121.223 0.187 0.000 2.376 471 L HA -0.059 4.281 4.340 -0.000 0.000 0.219 471 L C 1.732 178.791 176.870 0.315 0.000 1.133 471 L CA 1.041 55.987 54.840 0.177 0.000 0.816 471 L CB -0.168 41.955 42.059 0.108 0.000 0.933 471 L HN 0.385 nan 8.230 nan 0.000 0.449 472 T N -3.926 110.752 114.554 0.206 0.000 3.206 472 T HA 0.194 4.544 4.350 -0.000 0.000 0.253 472 T C 0.425 175.199 174.700 0.124 0.000 1.042 472 T CA -0.036 62.152 62.100 0.147 0.000 0.931 472 T CB -0.172 68.751 68.868 0.090 0.000 1.029 472 T HN 0.250 nan 8.240 nan 0.000 0.564 473 S N 0.414 116.232 115.700 0.196 0.000 2.537 473 S HA 0.593 5.063 4.470 -0.000 0.000 0.270 473 S C -0.584 174.137 174.600 0.202 0.000 1.142 473 S CA -1.137 57.148 58.200 0.142 0.000 0.870 473 S CB 1.588 64.861 63.200 0.121 0.000 1.112 473 S HN 0.153 nan 8.310 nan 0.000 0.466 474 R N 0.912 121.474 120.500 0.104 0.000 3.267 474 R HA -0.190 4.150 4.340 -0.000 0.000 0.254 474 R C -0.474 175.945 176.300 0.199 0.000 0.993 474 R CA 1.774 57.939 56.100 0.108 0.000 0.670 474 R CB -3.159 27.206 30.300 0.108 0.000 1.125 474 R HN 1.230 nan 8.270 nan 0.000 0.434 475 H N -4.956 114.132 119.070 0.031 0.000 3.024 475 H HA 0.229 4.785 4.556 -0.000 0.000 0.324 475 H C 0.652 175.987 175.328 0.012 0.000 1.347 475 H CA -0.376 55.694 56.048 0.037 0.000 1.182 475 H CB 0.596 30.430 29.762 0.120 0.000 1.889 475 H HN -0.062 nan 8.280 nan 0.000 0.528 476 Q N -0.248 119.555 119.800 0.005 0.000 2.173 476 Q HA -0.173 4.167 4.340 -0.000 0.000 0.208 476 Q C 0.363 176.283 176.000 -0.135 0.000 0.989 476 Q CA 2.090 57.861 55.803 -0.054 0.000 0.872 476 Q CB 0.126 28.878 28.738 0.024 0.000 0.909 476 Q HN 0.681 nan 8.270 nan 0.000 0.420 477 E N -0.890 119.213 120.200 -0.162 0.000 2.419 477 E HA 0.107 4.457 4.350 -0.000 0.000 0.190 477 E C 1.089 177.451 176.600 -0.397 0.000 1.040 477 E CA 0.467 56.782 56.400 -0.142 0.000 0.900 477 E CB 0.484 30.275 29.700 0.152 0.000 1.054 477 E HN 0.396 nan 8.360 nan 0.000 0.462 478 A N 1.344 123.634 122.820 -0.883 0.000 1.908 478 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 478 A C 2.163 179.643 177.584 -0.173 0.000 1.181 478 A CA 1.762 53.484 52.037 -0.524 0.000 0.627 478 A CB -0.320 18.445 19.000 -0.391 0.000 0.818 478 A HN 0.310 nan 8.150 nan 0.000 0.445 479 E N -0.882 119.226 120.200 -0.154 0.000 2.110 479 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 479 E C 1.988 178.555 176.600 -0.056 0.000 0.988 479 E CA 1.357 57.706 56.400 -0.085 0.000 0.804 479 E CB -0.199 29.454 29.700 -0.079 0.000 0.745 479 E HN 0.668 nan 8.360 nan 0.000 0.458 480 M N 0.007 119.578 119.600 -0.047 0.000 2.175 480 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 480 M C 2.156 178.465 176.300 0.016 0.000 1.063 480 M CA 1.623 56.916 55.300 -0.012 0.000 1.119 480 M CB 0.010 32.615 32.600 0.008 0.000 1.377 480 M HN 0.222 nan 8.290 nan 0.000 0.415 481 A N -0.046 122.797 122.820 0.039 0.000 1.930 481 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 481 A C 1.890 179.504 177.584 0.050 0.000 1.175 481 A CA 1.621 53.706 52.037 0.080 0.000 0.627 481 A CB -0.704 18.384 19.000 0.148 0.000 0.815 481 A HN 0.674 nan 8.150 nan 0.000 0.443 482 Q N -0.235 119.576 119.800 0.019 0.000 2.135 482 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 482 Q C 1.835 177.826 176.000 -0.015 0.000 0.981 482 Q CA 1.524 57.329 55.803 0.003 0.000 0.856 482 Q CB -0.175 28.552 28.738 -0.019 0.000 0.902 482 Q HN 0.638 nan 8.270 nan 0.000 0.425 483 N N 0.024 118.707 118.700 -0.028 0.000 2.207 483 N HA -0.059 4.681 4.740 -0.000 0.000 0.182 483 N C 1.701 177.175 175.510 -0.060 0.000 1.020 483 N CA 1.083 54.100 53.050 -0.054 0.000 0.858 483 N CB -0.110 38.341 38.487 -0.060 0.000 0.991 483 N HN 0.197 nan 8.380 nan 0.000 0.427 484 A N 1.148 123.956 122.820 -0.020 0.000 1.908 484 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 484 A C 2.516 180.135 177.584 0.057 0.000 1.181 484 A CA 1.291 53.332 52.037 0.007 0.000 0.627 484 A CB -0.865 18.215 19.000 0.134 0.000 0.818 484 A HN 0.097 nan 8.150 nan 0.000 0.445 485 V N -0.041 119.914 119.914 0.068 0.000 2.332 485 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 485 V C 2.674 178.783 176.094 0.025 0.000 1.055 485 V CA 2.461 64.807 62.300 0.077 0.000 1.038 485 V CB -0.783 31.073 31.823 0.053 0.000 0.651 485 V HN 0.682 nan 8.190 nan 0.000 0.450 486 R N -0.198 120.278 120.500 -0.041 0.000 2.062 486 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 486 R C 2.314 178.488 176.300 -0.209 0.000 1.136 486 R CA 1.506 57.545 56.100 -0.102 0.000 0.948 486 R CB -0.304 29.933 30.300 -0.106 0.000 0.845 486 R HN 0.447 nan 8.270 nan 0.000 0.430 487 L N 0.148 121.221 121.223 -0.251 0.000 2.187 487 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 487 L C 1.353 177.974 176.870 -0.415 0.000 1.100 487 L CA 0.927 55.540 54.840 -0.378 0.000 0.765 487 L CB -0.420 41.396 42.059 -0.406 0.000 0.904 487 L HN 0.334 nan 8.230 nan 0.000 0.437 488 H N -1.317 117.728 119.070 -0.042 0.000 2.568 488 H HA 0.113 4.669 4.556 -0.000 0.000 0.302 488 H C -0.242 175.203 175.328 0.196 0.000 1.065 488 H CA -0.466 55.637 56.048 0.090 0.000 1.140 488 H CB -0.218 29.589 29.762 0.075 0.000 1.474 488 H HN 0.239 nan 8.280 nan 0.000 0.545 489 Y N -0.401 119.941 120.300 0.070 0.000 3.589 489 Y HA -0.263 4.287 4.550 -0.000 0.000 0.218 489 Y C 1.865 177.798 175.900 0.054 0.000 1.234 489 Y CA 0.585 58.715 58.100 0.050 0.000 1.576 489 Y CB -1.598 36.889 38.460 0.045 0.000 1.487 489 Y HN 0.427 nan 8.280 nan 0.000 0.616 490 G N -0.786 108.095 108.800 0.134 0.000 2.603 490 G HA2 0.013 3.973 3.960 -0.000 0.000 0.214 490 G HA3 0.013 3.973 3.960 -0.000 0.000 0.214 490 G C 1.424 176.370 174.900 0.076 0.000 1.140 490 G CA 0.562 45.726 45.100 0.107 0.000 0.800 490 G HN 0.445 nan 8.290 nan 0.000 0.533 491 L N 0.707 121.962 121.223 0.055 0.000 2.017 491 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 491 L C 0.060 176.968 176.870 0.063 0.000 1.073 491 L CA 1.277 56.145 54.840 0.047 0.000 0.745 491 L CB -1.307 40.767 42.059 0.025 0.000 0.894 491 L HN 0.136 nan 8.230 nan 0.000 0.432 492 P HA -0.185 nan 4.420 nan 0.000 0.215 492 P C 1.971 179.313 177.300 0.071 0.000 1.157 492 P CA 1.265 64.410 63.100 0.076 0.000 0.868 492 P CB 0.045 31.799 31.700 0.090 0.000 0.788 493 V N -0.654 119.303 119.914 0.071 0.000 2.453 493 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 493 V C 2.125 178.255 176.094 0.059 0.000 1.048 493 V CA 1.602 63.937 62.300 0.059 0.000 1.049 493 V CB -0.862 30.994 31.823 0.054 0.000 0.672 493 V HN -0.114 nan 8.190 nan 0.000 0.457 494 V N -0.047 119.903 119.914 0.060 0.000 2.295 494 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 494 V C 2.517 178.648 176.094 0.060 0.000 1.049 494 V CA 2.308 64.640 62.300 0.053 0.000 1.024 494 V CB -0.407 31.446 31.823 0.049 0.000 0.648 494 V HN 0.465 nan 8.190 nan 0.000 0.447 495 V N 0.247 120.206 119.914 0.074 0.000 2.407 495 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 495 V C 2.460 178.652 176.094 0.163 0.000 1.055 495 V CA 2.127 64.484 62.300 0.094 0.000 1.049 495 V CB -0.750 31.137 31.823 0.107 0.000 0.662 495 V HN 0.582 nan 8.190 nan 0.000 0.455 496 K N 1.026 121.524 120.400 0.162 0.000 2.103 496 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 496 K C 1.732 178.457 176.600 0.207 0.000 1.048 496 K CA 1.710 58.121 56.287 0.206 0.000 0.930 496 K CB -0.699 31.844 32.500 0.072 0.000 0.716 496 K HN 0.459 nan 8.250 nan 0.000 0.444 497 L N 0.619 121.900 121.223 0.097 0.000 2.549 497 L HA -0.056 4.284 4.340 -0.000 0.000 0.229 497 L C 1.818 178.688 176.870 -0.001 0.000 1.158 497 L CA 0.401 55.265 54.840 0.040 0.000 0.842 497 L CB -0.301 41.772 42.059 0.023 0.000 0.952 497 L HN 0.190 nan 8.230 nan 0.000 0.452 498 L N -1.526 119.682 121.223 -0.025 0.000 2.341 498 L HA -0.034 4.306 4.340 -0.000 0.000 0.214 498 L C 0.729 177.449 176.870 -0.250 0.000 1.115 498 L CA 0.112 54.857 54.840 -0.159 0.000 0.820 498 L CB -0.293 41.622 42.059 -0.240 0.000 0.944 498 L HN 0.302 nan 8.230 nan 0.000 0.452 499 H N -1.091 117.942 119.070 -0.062 0.000 2.508 499 H HA 0.264 4.820 4.556 -0.000 0.000 0.358 499 H C -2.120 173.135 175.328 -0.122 0.000 1.212 499 H CA -1.954 54.047 56.048 -0.079 0.000 1.356 499 H CB -0.225 29.506 29.762 -0.052 0.000 1.525 499 H HN -0.186 nan 8.280 nan 0.000 0.578 500 P HA -0.027 nan 4.420 nan 0.000 0.269 500 P C -1.809 175.444 177.300 -0.078 0.000 1.217 500 P CA -0.852 62.188 63.100 -0.100 0.000 0.783 500 P CB 0.275 31.929 31.700 -0.078 0.000 0.898 501 P HA 0.075 nan 4.420 nan 0.000 0.253 501 P C -0.448 176.589 177.300 -0.439 0.000 1.459 501 P CA 0.181 63.141 63.100 -0.234 0.000 0.908 501 P CB 0.155 31.753 31.700 -0.170 0.000 1.470 502 S N 0.749 116.248 115.700 -0.335 0.000 2.566 502 S HA 0.067 4.537 4.470 -0.000 0.000 0.280 502 S C 0.449 174.723 174.600 -0.543 0.000 1.343 502 S CA 0.160 58.142 58.200 -0.364 0.000 1.036 502 S CB 0.067 63.151 63.200 -0.194 0.000 0.866 502 S HN 0.321 nan 8.310 nan 0.000 0.526 503 H N -0.379 118.597 119.070 -0.157 0.000 2.595 503 H HA 0.172 4.728 4.556 -0.000 0.000 0.346 503 H C 0.550 175.786 175.328 -0.155 0.000 1.181 503 H CA -0.934 54.990 56.048 -0.206 0.000 1.242 503 H CB 0.438 30.158 29.762 -0.070 0.000 1.652 503 H HN 0.826 nan 8.280 nan 0.000 0.548 504 W N 0.868 122.259 121.300 0.152 0.000 2.305 504 W HA -0.145 4.515 4.660 -0.000 0.000 0.308 504 W C -0.770 175.792 176.519 0.072 0.000 1.226 504 W CA 0.875 58.271 57.345 0.085 0.000 1.253 504 W CB -1.509 27.992 29.460 0.068 0.000 1.146 504 W HN 0.598 nan 8.180 nan 0.000 0.507 505 P HA -0.208 nan 4.420 nan 0.000 0.215 505 P C 1.731 179.118 177.300 0.144 0.000 1.157 505 P CA 1.373 64.586 63.100 0.189 0.000 0.863 505 P CB -0.284 31.503 31.700 0.146 0.000 0.787 506 L N -0.922 120.373 121.223 0.120 0.000 2.093 506 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 506 L C 2.092 179.003 176.870 0.068 0.000 1.085 506 L CA 1.645 56.529 54.840 0.074 0.000 0.755 506 L CB -1.129 40.956 42.059 0.044 0.000 0.904 506 L HN -0.120 nan 8.230 nan 0.000 0.435 507 I N -0.434 120.185 120.570 0.081 0.000 2.252 507 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 507 I C 2.548 178.752 176.117 0.145 0.000 1.102 507 I CA 1.437 62.790 61.300 0.089 0.000 1.385 507 I CB -0.431 37.619 38.000 0.082 0.000 1.064 507 I HN 0.334 nan 8.210 nan 0.000 0.414 508 K N 1.608 122.124 120.400 0.193 0.000 2.009 508 K HA -0.221 4.099 4.320 -0.000 0.000 0.210 508 K C 2.219 178.884 176.600 0.107 0.000 1.049 508 K CA 1.792 58.174 56.287 0.159 0.000 0.929 508 K CB -0.162 32.431 32.500 0.155 0.000 0.714 508 K HN 0.271 nan 8.250 nan 0.000 0.440 509 A N 0.526 123.400 122.820 0.091 0.000 1.933 509 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 509 A C 2.171 179.784 177.584 0.049 0.000 1.175 509 A CA 2.149 54.222 52.037 0.061 0.000 0.628 509 A CB -0.945 18.081 19.000 0.042 0.000 0.814 509 A HN 0.489 nan 8.150 nan 0.000 0.444 510 T N -0.424 114.162 114.554 0.052 0.000 2.777 510 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 510 T C 1.874 176.603 174.700 0.049 0.000 1.040 510 T CA 1.475 63.600 62.100 0.042 0.000 1.141 510 T CB -0.397 68.492 68.868 0.034 0.000 0.868 510 T HN 0.150 nan 8.240 nan 0.000 0.444 511 V N 1.482 121.434 119.914 0.063 0.000 2.332 511 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 511 V C 2.859 178.992 176.094 0.065 0.000 1.055 511 V CA 2.062 64.403 62.300 0.067 0.000 1.038 511 V CB -1.321 30.555 31.823 0.087 0.000 0.651 511 V HN 0.606 nan 8.190 nan 0.000 0.450 512 G N -0.304 108.537 108.800 0.067 0.000 2.422 512 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 512 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 512 G C 1.569 176.506 174.900 0.061 0.000 1.146 512 G CA 1.137 46.278 45.100 0.068 0.000 0.769 512 G HN 0.456 nan 8.290 nan 0.000 0.547 513 L N 0.774 122.027 121.223 0.050 0.000 2.056 513 L HA 0.132 4.472 4.340 -0.000 0.000 0.207 513 L C 2.609 179.507 176.870 0.048 0.000 1.078 513 L CA 1.273 56.140 54.840 0.044 0.000 0.749 513 L CB -0.442 41.636 42.059 0.031 0.000 0.901 513 L HN 0.259 nan 8.230 nan 0.000 0.433 514 I N -0.403 120.196 120.570 0.049 0.000 2.286 514 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 514 I C 2.679 178.828 176.117 0.054 0.000 1.115 514 I CA 1.100 62.430 61.300 0.050 0.000 1.392 514 I CB -0.527 37.504 38.000 0.050 0.000 1.065 514 I HN 0.365 nan 8.210 nan 0.000 0.418 515 R N 1.515 122.047 120.500 0.054 0.000 2.096 515 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 515 R C 1.745 178.072 176.300 0.046 0.000 1.127 515 R CA 1.701 57.831 56.100 0.051 0.000 0.968 515 R CB -0.489 29.843 30.300 0.053 0.000 0.861 515 R HN 0.369 nan 8.270 nan 0.000 0.440 516 N N 1.047 119.776 118.700 0.049 0.000 2.135 516 N HA -0.084 4.656 4.740 -0.000 0.000 0.186 516 N C 1.995 177.525 175.510 0.035 0.000 1.027 516 N CA 1.098 54.174 53.050 0.045 0.000 0.849 516 N CB -0.435 38.086 38.487 0.057 0.000 1.002 516 N HN 0.203 nan 8.380 nan 0.000 0.425 517 L N 0.675 121.921 121.223 0.037 0.000 2.081 517 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 517 L C 2.145 179.030 176.870 0.025 0.000 1.080 517 L CA 1.208 56.064 54.840 0.026 0.000 0.754 517 L CB -0.527 41.551 42.059 0.032 0.000 0.893 517 L HN 0.135 nan 8.230 nan 0.000 0.433 518 A N -0.335 122.522 122.820 0.061 0.000 2.172 518 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 518 A C 2.200 179.859 177.584 0.125 0.000 1.154 518 A CA 0.801 52.916 52.037 0.129 0.000 0.701 518 A CB -0.517 18.564 19.000 0.134 0.000 0.789 518 A HN 0.390 nan 8.150 nan 0.000 0.465 519 L N -1.036 120.213 121.223 0.044 0.000 2.265 519 L HA -0.117 4.223 4.340 -0.000 0.000 0.215 519 L C 1.276 178.124 176.870 -0.036 0.000 1.117 519 L CA 0.208 55.058 54.840 0.017 0.000 0.782 519 L CB -0.404 41.654 42.059 -0.001 0.000 0.914 519 L HN 0.534 nan 8.230 nan 0.000 0.441 520 C N 1.006 120.252 119.300 -0.090 0.000 2.246 520 C HA 0.271 4.731 4.460 -0.000 0.000 0.329 520 C C -0.658 174.096 174.990 -0.393 0.000 1.221 520 C CA -1.881 57.037 59.018 -0.166 0.000 1.697 520 C CB 0.515 28.185 27.740 -0.116 0.000 2.312 520 C HN 0.100 nan 8.230 nan 0.000 0.509 521 P HA -0.150 nan 4.420 nan 0.000 0.216 521 P C 1.420 178.422 177.300 -0.497 0.000 1.154 521 P CA 2.304 64.975 63.100 -0.715 0.000 0.865 521 P CB 0.077 31.631 31.700 -0.243 0.000 0.789 522 A N -1.126 121.539 122.820 -0.258 0.000 2.225 522 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 522 A C 1.844 179.349 177.584 -0.132 0.000 1.164 522 A CA 1.479 53.426 52.037 -0.150 0.000 0.710 522 A CB -1.026 17.909 19.000 -0.109 0.000 0.780 522 A HN 0.164 nan 8.150 nan 0.000 0.473 523 N N -1.206 117.383 118.700 -0.184 0.000 2.282 523 N HA 0.006 4.746 4.740 -0.000 0.000 0.185 523 N C 1.086 176.609 175.510 0.022 0.000 1.099 523 N CA 0.286 53.289 53.050 -0.078 0.000 0.878 523 N CB -0.244 38.209 38.487 -0.056 0.000 0.993 523 N HN 0.514 nan 8.380 nan 0.000 0.481 524 H N 1.529 120.602 119.070 0.005 0.000 2.265 524 H HA -0.018 4.538 4.556 -0.000 0.000 0.295 524 H C 1.971 177.316 175.328 0.028 0.000 1.084 524 H CA 1.639 57.697 56.048 0.017 0.000 1.261 524 H CB -0.610 29.163 29.762 0.019 0.000 1.360 524 H HN 0.194 nan 8.280 nan 0.000 0.487 525 A N 1.109 124.027 122.820 0.163 0.000 1.877 525 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 525 A C 0.003 177.624 177.584 0.062 0.000 1.186 525 A CA 1.586 53.684 52.037 0.101 0.000 0.620 525 A CB -1.391 17.654 19.000 0.075 0.000 0.822 525 A HN 0.345 nan 8.150 nan 0.000 0.443 526 P HA -0.139 nan 4.420 nan 0.000 0.215 526 P C 1.485 178.809 177.300 0.040 0.000 1.157 526 P CA 0.911 64.025 63.100 0.023 0.000 0.868 526 P CB -0.135 31.562 31.700 -0.005 0.000 0.788 527 L N -1.040 120.217 121.223 0.056 0.000 2.046 527 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 527 L C 2.799 179.707 176.870 0.064 0.000 1.077 527 L CA 1.434 56.312 54.840 0.063 0.000 0.747 527 L CB -0.605 41.501 42.059 0.077 0.000 0.896 527 L HN -0.107 nan 8.230 nan 0.000 0.432 528 R N 0.625 121.166 120.500 0.068 0.000 2.081 528 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 528 R C 1.940 178.268 176.300 0.048 0.000 1.131 528 R CA 1.639 57.775 56.100 0.059 0.000 0.960 528 R CB -0.123 30.216 30.300 0.065 0.000 0.856 528 R HN 0.391 nan 8.270 nan 0.000 0.436 529 E N -0.291 119.934 120.200 0.042 0.000 2.418 529 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 529 E C 1.336 177.959 176.600 0.038 0.000 1.026 529 E CA 0.388 56.807 56.400 0.032 0.000 0.862 529 E CB 0.282 29.996 29.700 0.024 0.000 0.799 529 E HN 0.370 nan 8.360 nan 0.000 0.518 530 Q N -0.803 119.027 119.800 0.050 0.000 2.319 530 Q HA 0.084 4.424 4.340 -0.000 0.000 0.202 530 Q C 1.050 177.099 176.000 0.081 0.000 0.896 530 Q CA 0.578 56.417 55.803 0.061 0.000 0.942 530 Q CB 1.317 30.096 28.738 0.068 0.000 1.083 530 Q HN 0.380 nan 8.270 nan 0.000 0.510 531 G N 0.626 109.469 108.800 0.072 0.000 2.136 531 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.242 531 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.242 531 G C 1.025 175.976 174.900 0.086 0.000 0.989 531 G CA 0.649 45.799 45.100 0.083 0.000 0.682 531 G HN 0.456 nan 8.290 nan 0.000 0.522 532 A N 0.066 122.929 122.820 0.072 0.000 1.892 532 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 532 A C 2.409 180.019 177.584 0.043 0.000 1.188 532 A CA 1.982 54.051 52.037 0.055 0.000 0.631 532 A CB -0.374 18.660 19.000 0.057 0.000 0.822 532 A HN 0.855 nan 8.150 nan 0.000 0.447 533 I N -0.172 120.427 120.570 0.048 0.000 2.127 533 I HA -0.197 3.973 4.170 -0.000 0.000 0.241 533 I C -0.458 175.684 176.117 0.041 0.000 1.075 533 I CA 1.720 63.049 61.300 0.047 0.000 1.334 533 I CB -1.396 36.633 38.000 0.048 0.000 1.040 533 I HN 0.218 nan 8.210 nan 0.000 0.405 534 P HA -0.179 nan 4.420 nan 0.000 0.215 534 P C 1.756 179.070 177.300 0.023 0.000 1.153 534 P CA 2.231 65.351 63.100 0.033 0.000 0.853 534 P CB -0.156 31.569 31.700 0.042 0.000 0.788 535 R N 0.094 120.601 120.500 0.011 0.000 2.073 535 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 535 R C 2.318 178.601 176.300 -0.030 0.000 1.134 535 R CA 1.871 57.939 56.100 -0.053 0.000 0.952 535 R CB -2.209 27.985 30.300 -0.176 0.000 0.850 535 R HN 0.199 nan 8.270 nan 0.000 0.433 536 L N 0.402 121.626 121.223 0.002 0.000 2.046 536 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 536 L C 2.663 179.564 176.870 0.052 0.000 1.077 536 L CA 1.231 56.093 54.840 0.035 0.000 0.747 536 L CB -0.443 41.648 42.059 0.053 0.000 0.896 536 L HN 0.230 nan 8.230 nan 0.000 0.432 537 V N -0.485 119.455 119.914 0.042 0.000 2.407 537 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 537 V C 2.445 178.551 176.094 0.020 0.000 1.055 537 V CA 1.851 64.166 62.300 0.026 0.000 1.049 537 V CB -0.518 31.307 31.823 0.003 0.000 0.662 537 V HN 0.528 nan 8.190 nan 0.000 0.455 538 Q N -0.419 119.395 119.800 0.024 0.000 2.079 538 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 538 Q C 2.256 178.296 176.000 0.066 0.000 0.974 538 Q CA 1.595 57.417 55.803 0.033 0.000 0.840 538 Q CB -0.091 28.662 28.738 0.024 0.000 0.898 538 Q HN 0.600 nan 8.270 nan 0.000 0.430 539 L N 0.313 121.583 121.223 0.079 0.000 2.093 539 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 539 L C 2.391 179.355 176.870 0.157 0.000 1.085 539 L CA 0.368 55.303 54.840 0.158 0.000 0.755 539 L CB -0.363 41.795 42.059 0.165 0.000 0.904 539 L HN 0.322 nan 8.230 nan 0.000 0.435 540 L N -0.639 120.647 121.223 0.105 0.000 2.027 540 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 540 L C 2.368 179.293 176.870 0.091 0.000 1.074 540 L CA 1.666 56.560 54.840 0.090 0.000 0.745 540 L CB -0.449 41.653 42.059 0.072 0.000 0.898 540 L HN -0.091 nan 8.230 nan 0.000 0.433 541 V N 0.375 120.327 119.914 0.064 0.000 2.287 541 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 541 V C 2.826 178.985 176.094 0.108 0.000 1.053 541 V CA 2.236 64.580 62.300 0.074 0.000 1.027 541 V CB -0.804 31.039 31.823 0.032 0.000 0.646 541 V HN 0.564 nan 8.190 nan 0.000 0.447 542 R N 0.311 120.877 120.500 0.109 0.000 2.070 542 R HA -0.155 4.185 4.340 -0.000 0.000 0.233 542 R C 2.294 178.653 176.300 0.099 0.000 1.137 542 R CA 1.788 57.962 56.100 0.124 0.000 0.945 542 R CB -0.523 29.890 30.300 0.188 0.000 0.845 542 R HN 0.458 nan 8.270 nan 0.000 0.430 543 A N -0.069 122.804 122.820 0.088 0.000 1.972 543 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 543 A C 1.944 179.529 177.584 0.001 0.000 1.169 543 A CA 1.817 53.829 52.037 -0.041 0.000 0.635 543 A CB -0.773 18.170 19.000 -0.095 0.000 0.810 543 A HN 0.649 nan 8.150 nan 0.000 0.446 544 H N -0.326 118.730 119.070 -0.023 0.000 2.363 544 H HA -0.033 4.523 4.556 -0.000 0.000 0.301 544 H C 2.095 177.413 175.328 -0.017 0.000 1.074 544 H CA 2.071 58.109 56.048 -0.017 0.000 1.354 544 H CB -0.203 29.556 29.762 -0.004 0.000 1.397 544 H HN 0.567 nan 8.280 nan 0.000 0.516 545 Q N -0.323 119.410 119.800 -0.112 0.000 2.050 545 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 545 Q C 2.374 178.291 176.000 -0.137 0.000 0.980 545 Q CA 1.752 57.462 55.803 -0.154 0.000 0.840 545 Q CB -0.350 28.365 28.738 -0.038 0.000 0.898 545 Q HN 0.867 nan 8.270 nan 0.000 0.424 546 D N 0.120 120.470 120.400 -0.083 0.000 2.265 546 D HA -0.136 4.504 4.640 -0.000 0.000 0.208 546 D C 1.822 178.059 176.300 -0.106 0.000 0.977 546 D CA 1.614 55.569 54.000 -0.075 0.000 0.871 546 D CB -0.666 40.093 40.800 -0.068 0.000 0.925 546 D HN 0.233 nan 8.370 nan 0.000 0.485 547 T N -0.164 114.305 114.554 -0.142 0.000 2.851 547 T HA -0.034 4.316 4.350 -0.000 0.000 0.262 547 T C 1.475 176.086 174.700 -0.147 0.000 1.043 547 T CA 0.908 62.928 62.100 -0.132 0.000 1.140 547 T CB 0.077 68.881 68.868 -0.107 0.000 0.872 547 T HN 0.348 nan 8.240 nan 0.000 0.446 548 Q N 0.638 120.300 119.800 -0.231 0.000 2.297 548 Q HA 0.350 4.690 4.340 -0.000 0.000 0.265 548 Q C 1.414 177.339 176.000 -0.126 0.000 0.904 548 Q CA 0.014 55.701 55.803 -0.194 0.000 0.969 548 Q CB 0.218 28.780 28.738 -0.293 0.000 1.115 548 Q HN 0.587 nan 8.270 nan 0.000 0.433 549 R N -1.292 119.150 120.500 -0.096 0.000 2.709 549 R HA 0.254 4.594 4.340 -0.000 0.000 0.200 549 R C 1.178 177.449 176.300 -0.048 0.000 0.974 549 R CA 0.899 56.961 56.100 -0.064 0.000 1.416 549 R CB -0.046 30.220 30.300 -0.057 0.000 1.709 549 R HN 0.305 nan 8.270 nan 0.000 0.546 562 E N 0.999 121.273 120.200 0.123 0.000 4.230 562 E HA 0.562 4.912 4.350 -0.000 0.000 0.216 562 E C 0.639 177.299 176.600 0.100 0.000 1.132 562 E CA 0.479 56.951 56.400 0.121 0.000 1.404 562 E CB 0.815 30.616 29.700 0.168 0.000 1.183 562 E HN 0.993 nan 8.360 nan 0.000 0.431 563 G N 0.188 109.025 108.800 0.061 0.000 2.184 563 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.206 563 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.206 563 G C 0.114 175.044 174.900 0.049 0.000 0.995 563 G CA -0.123 45.009 45.100 0.052 0.000 0.651 563 G HN 0.951 nan 8.290 nan 0.000 0.511 564 V N -2.629 117.306 119.914 0.035 0.000 2.851 564 V HA 0.811 4.930 4.120 -0.000 0.000 0.307 564 V C -0.019 176.028 176.094 -0.077 0.000 1.129 564 V CA -1.679 60.621 62.300 0.001 0.000 0.932 564 V CB 1.480 33.328 31.823 0.042 0.000 1.024 564 V HN 0.377 nan 8.190 nan 0.000 0.426 565 R N 3.963 124.420 120.500 -0.071 0.000 2.491 565 R HA 0.384 4.724 4.340 -0.000 0.000 0.283 565 R C 0.942 177.142 176.300 -0.167 0.000 1.072 565 R CA -0.666 55.374 56.100 -0.100 0.000 1.048 565 R CB 0.789 31.055 30.300 -0.057 0.000 0.983 565 R HN 0.718 nan 8.270 nan 0.000 0.450 566 M N 1.820 121.285 119.600 -0.224 0.000 2.358 566 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 566 M C 1.204 177.407 176.300 -0.162 0.000 1.064 566 M CA 1.628 56.750 55.300 -0.298 0.000 1.093 566 M CB -0.571 31.849 32.600 -0.299 0.000 1.401 566 M HN 0.547 nan 8.290 nan 0.000 0.440 567 E N 0.503 120.648 120.200 -0.091 0.000 2.110 567 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 567 E C 1.864 178.451 176.600 -0.022 0.000 0.988 567 E CA 1.119 57.499 56.400 -0.032 0.000 0.804 567 E CB -0.212 29.480 29.700 -0.014 0.000 0.745 567 E HN 0.564 nan 8.360 nan 0.000 0.458 568 E N 0.020 120.198 120.200 -0.037 0.000 2.110 568 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 568 E C 1.818 178.418 176.600 -0.001 0.000 0.988 568 E CA 0.717 57.111 56.400 -0.010 0.000 0.804 568 E CB -0.036 29.660 29.700 -0.007 0.000 0.745 568 E HN 0.230 nan 8.360 nan 0.000 0.458 569 I N 0.720 121.264 120.570 -0.043 0.000 2.286 569 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 569 I C 2.436 178.567 176.117 0.024 0.000 1.104 569 I CA 0.870 62.163 61.300 -0.012 0.000 1.397 569 I CB -0.987 36.938 38.000 -0.125 0.000 1.072 569 I HN 0.006 nan 8.210 nan 0.000 0.417 570 V N 1.087 121.006 119.914 0.009 0.000 2.287 570 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 570 V C 2.610 178.738 176.094 0.056 0.000 1.053 570 V CA 2.203 64.533 62.300 0.050 0.000 1.027 570 V CB -0.695 31.167 31.823 0.065 0.000 0.646 570 V HN 0.474 nan 8.190 nan 0.000 0.447 571 E N 0.114 120.340 120.200 0.042 0.000 2.072 571 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 571 E C 2.280 178.910 176.600 0.052 0.000 0.985 571 E CA 1.303 57.728 56.400 0.042 0.000 0.801 571 E CB -0.432 29.289 29.700 0.035 0.000 0.750 571 E HN 0.567 nan 8.360 nan 0.000 0.452 572 G N 0.562 109.396 108.800 0.057 0.000 2.421 572 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 572 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 572 G C 1.735 176.680 174.900 0.075 0.000 1.171 572 G CA 0.964 46.104 45.100 0.067 0.000 0.775 572 G HN 0.402 nan 8.290 nan 0.000 0.543 573 C N 0.611 119.961 119.300 0.084 0.000 2.429 573 C HA 0.000 4.460 4.460 -0.000 0.000 0.277 573 C C 3.260 178.313 174.990 0.105 0.000 1.262 573 C CA 1.549 60.624 59.018 0.096 0.000 1.733 573 C CB -0.978 26.826 27.740 0.106 0.000 2.010 573 C HN 0.448 nan 8.230 nan 0.000 0.483 574 T N 0.374 114.989 114.554 0.103 0.000 2.821 574 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 574 T C 1.984 176.702 174.700 0.030 0.000 1.046 574 T CA 1.611 63.761 62.100 0.084 0.000 1.139 574 T CB -0.505 68.396 68.868 0.055 0.000 0.871 574 T HN 0.683 nan 8.240 nan 0.000 0.454 575 G N 1.088 109.921 108.800 0.054 0.000 2.408 575 G HA2 0.009 3.969 3.960 -0.000 0.000 0.217 575 G HA3 0.009 3.969 3.960 -0.000 0.000 0.217 575 G C 1.809 176.756 174.900 0.079 0.000 1.150 575 G CA 0.786 45.936 45.100 0.083 0.000 0.776 575 G HN 0.566 nan 8.290 nan 0.000 0.542 576 A N 0.610 123.469 122.820 0.066 0.000 1.898 576 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 576 A C 2.415 180.027 177.584 0.047 0.000 1.181 576 A CA 1.141 53.211 52.037 0.055 0.000 0.620 576 A CB -0.382 18.655 19.000 0.062 0.000 0.819 576 A HN 0.341 nan 8.150 nan 0.000 0.442 577 L N -1.483 119.778 121.223 0.063 0.000 2.093 577 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 577 L C 2.610 179.493 176.870 0.021 0.000 1.085 577 L CA 1.607 56.482 54.840 0.058 0.000 0.755 577 L CB -0.799 41.339 42.059 0.131 0.000 0.904 577 L HN 0.668 nan 8.230 nan 0.000 0.435 578 H N 0.396 119.387 119.070 -0.131 0.000 2.319 578 H HA -0.203 4.353 4.556 -0.000 0.000 0.299 578 H C 2.272 177.529 175.328 -0.118 0.000 1.092 578 H CA 1.642 57.578 56.048 -0.186 0.000 1.302 578 H CB 0.385 30.029 29.762 -0.196 0.000 1.373 578 H HN 0.143 nan 8.280 nan 0.000 0.497 579 I N 1.039 121.527 120.570 -0.137 0.000 2.233 579 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 579 I C 2.768 178.808 176.117 -0.128 0.000 1.093 579 I CA 0.801 61.997 61.300 -0.174 0.000 1.380 579 I CB -1.209 36.744 38.000 -0.078 0.000 1.067 579 I HN 0.361 nan 8.210 nan 0.000 0.413 580 L N 0.911 122.082 121.223 -0.087 0.000 2.127 580 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 580 L C 2.470 179.211 176.870 -0.215 0.000 1.089 580 L CA 1.223 55.975 54.840 -0.147 0.000 0.757 580 L CB -0.583 41.451 42.059 -0.041 0.000 0.899 580 L HN 0.201 nan 8.230 nan 0.000 0.434 581 A N -0.358 122.387 122.820 -0.125 0.000 2.248 581 A HA -0.124 4.196 4.320 -0.000 0.000 0.210 581 A C 2.199 179.705 177.584 -0.130 0.000 1.174 581 A CA 0.732 52.709 52.037 -0.099 0.000 0.750 581 A CB -0.490 18.481 19.000 -0.048 0.000 0.780 581 A HN 0.355 nan 8.150 nan 0.000 0.478 582 R N 0.174 120.558 120.500 -0.193 0.000 2.148 582 R HA -0.045 4.295 4.340 -0.000 0.000 0.227 582 R C 0.462 176.662 176.300 -0.167 0.000 1.103 582 R CA 0.839 56.849 56.100 -0.149 0.000 0.983 582 R CB -0.064 30.170 30.300 -0.111 0.000 0.874 582 R HN 0.579 nan 8.270 nan 0.000 0.451 583 D N 0.764 120.987 120.400 -0.295 0.000 2.312 583 D HA -0.036 4.604 4.640 -0.000 0.000 0.252 583 D C 1.183 177.390 176.300 -0.156 0.000 1.150 583 D CA -0.057 53.811 54.000 -0.220 0.000 0.870 583 D CB 1.859 42.478 40.800 -0.301 0.000 1.153 583 D HN -0.168 nan 8.370 nan 0.000 0.457 584 V N 6.081 125.881 119.914 -0.189 0.000 2.317 584 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 584 V C 1.785 177.762 176.094 -0.196 0.000 1.065 584 V CA 1.897 64.058 62.300 -0.230 0.000 1.049 584 V CB -0.596 31.019 31.823 -0.346 0.000 0.651 584 V HN 0.658 nan 8.190 nan 0.000 0.450 585 H N -0.051 119.012 119.070 -0.011 0.000 2.395 585 H HA 0.000 4.556 4.556 -0.000 0.000 0.299 585 H C 2.263 177.586 175.328 -0.009 0.000 1.070 585 H CA 1.549 57.595 56.048 -0.003 0.000 1.356 585 H CB -0.486 29.280 29.762 0.007 0.000 1.401 585 H HN 0.472 nan 8.280 nan 0.000 0.524 586 N N 1.117 119.860 118.700 0.072 0.000 2.188 586 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 586 N C 2.028 177.552 175.510 0.022 0.000 1.018 586 N CA 0.492 53.559 53.050 0.028 0.000 0.858 586 N CB -0.141 38.322 38.487 -0.039 0.000 0.989 586 N HN 0.347 nan 8.380 nan 0.000 0.426 587 R N 0.340 120.839 120.500 -0.001 0.000 2.083 587 R HA -0.081 4.259 4.340 -0.000 0.000 0.237 587 R C 2.002 178.322 176.300 0.033 0.000 1.137 587 R CA 0.924 57.029 56.100 0.008 0.000 0.951 587 R CB -0.532 29.759 30.300 -0.015 0.000 0.851 587 R HN 0.161 nan 8.270 nan 0.000 0.434 588 I N 0.657 121.251 120.570 0.040 0.000 2.286 588 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 588 I C 1.983 178.129 176.117 0.047 0.000 1.115 588 I CA 1.208 62.536 61.300 0.047 0.000 1.392 588 I CB -0.001 38.037 38.000 0.064 0.000 1.065 588 I HN -0.116 nan 8.210 nan 0.000 0.418 589 V N 0.560 120.506 119.914 0.052 0.000 2.307 589 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 589 V C 2.438 178.558 176.094 0.043 0.000 1.045 589 V CA 2.093 64.420 62.300 0.044 0.000 1.024 589 V CB -0.501 31.349 31.823 0.046 0.000 0.651 589 V HN 0.343 nan 8.190 nan 0.000 0.449 590 I N 0.288 120.892 120.570 0.057 0.000 2.163 590 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 590 I C 2.747 178.908 176.117 0.073 0.000 1.085 590 I CA 2.138 63.487 61.300 0.081 0.000 1.347 590 I CB -0.396 37.678 38.000 0.124 0.000 1.044 590 I HN 0.296 nan 8.210 nan 0.000 0.408 591 R N 1.575 122.116 120.500 0.068 0.000 2.092 591 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 591 R C 2.162 178.477 176.300 0.025 0.000 1.119 591 R CA 1.810 57.942 56.100 0.054 0.000 0.970 591 R CB -1.035 29.293 30.300 0.047 0.000 0.864 591 R HN 0.305 nan 8.270 nan 0.000 0.440 592 G N 0.385 109.199 108.800 0.024 0.000 2.471 592 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.219 592 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.219 592 G C 1.114 176.015 174.900 0.002 0.000 1.125 592 G CA 0.514 45.622 45.100 0.013 0.000 0.775 592 G HN 0.327 nan 8.290 nan 0.000 0.548 593 L N 0.409 121.629 121.223 -0.004 0.000 2.645 593 L HA 0.192 4.532 4.340 -0.000 0.000 0.234 593 L C 1.126 177.967 176.870 -0.049 0.000 1.165 593 L CA -0.163 54.666 54.840 -0.020 0.000 0.944 593 L CB -0.507 41.542 42.059 -0.017 0.000 1.149 593 L HN 0.372 nan 8.230 nan 0.000 0.446 594 N N 0.675 119.348 118.700 -0.046 0.000 2.740 594 N HA -0.221 4.519 4.740 -0.000 0.000 0.248 594 N C 1.053 176.481 175.510 -0.137 0.000 1.062 594 N CA 0.532 53.542 53.050 -0.066 0.000 0.704 594 N CB -0.161 38.296 38.487 -0.050 0.000 0.968 594 N HN 0.521 nan 8.380 nan 0.000 0.547 595 T N -2.653 111.781 114.554 -0.200 0.000 3.043 595 T HA 0.069 4.419 4.350 -0.000 0.000 0.263 595 T C 1.946 176.326 174.700 -0.534 0.000 1.094 595 T CA 0.650 62.453 62.100 -0.494 0.000 1.127 595 T CB 0.025 68.482 68.868 -0.684 0.000 0.905 595 T HN 0.342 nan 8.240 nan 0.000 0.490 596 I N 2.225 122.698 120.570 -0.162 0.000 2.145 596 I HA -0.127 4.043 4.170 -0.000 0.000 0.244 596 I C -0.560 175.539 176.117 -0.030 0.000 1.075 596 I CA 1.507 62.809 61.300 0.005 0.000 1.332 596 I CB -1.152 36.876 38.000 0.046 0.000 1.033 596 I HN 0.232 nan 8.210 nan 0.000 0.410 597 P HA -0.179 nan 4.420 nan 0.000 0.216 597 P C 1.963 179.222 177.300 -0.069 0.000 1.150 597 P CA 1.344 64.422 63.100 -0.038 0.000 0.837 597 P CB 0.039 31.716 31.700 -0.038 0.000 0.786 598 L N -1.785 119.320 121.223 -0.197 0.000 2.027 598 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 598 L C 2.227 178.983 176.870 -0.190 0.000 1.074 598 L CA 1.722 56.398 54.840 -0.275 0.000 0.745 598 L CB -0.626 41.177 42.059 -0.428 0.000 0.898 598 L HN -0.050 nan 8.230 nan 0.000 0.433 599 F N -1.030 118.862 119.950 -0.097 0.000 2.161 599 F HA -0.252 4.275 4.527 0.000 0.000 0.300 599 F C 2.424 178.182 175.800 -0.069 0.000 1.089 599 F CA 0.796 58.739 58.000 -0.096 0.000 1.282 599 F CB -0.307 38.642 39.000 -0.085 0.000 1.010 599 F HN -0.077 nan 8.300 nan 0.000 0.485 600 V N -0.123 119.877 119.914 0.143 0.000 2.358 600 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 600 V C 2.107 178.303 176.094 0.169 0.000 1.047 600 V CA 1.787 64.153 62.300 0.111 0.000 1.035 600 V CB -0.681 31.206 31.823 0.106 0.000 0.658 600 V HN 0.359 nan 8.190 nan 0.000 0.452 601 Q N -0.371 119.521 119.800 0.153 0.000 2.124 601 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 601 Q C 2.219 178.359 176.000 0.232 0.000 0.977 601 Q CA 1.470 57.410 55.803 0.229 0.000 0.850 601 Q CB -0.252 28.545 28.738 0.098 0.000 0.901 601 Q HN 0.545 nan 8.270 nan 0.000 0.429 602 L N 0.409 121.677 121.223 0.075 0.000 2.362 602 L HA -0.151 4.189 4.340 -0.000 0.000 0.219 602 L C 1.979 178.887 176.870 0.064 0.000 1.134 602 L CA 0.496 55.375 54.840 0.065 0.000 0.807 602 L CB -0.335 41.742 42.059 0.029 0.000 0.927 602 L HN 0.287 nan 8.230 nan 0.000 0.447 603 L N -1.495 119.739 121.223 0.018 0.000 2.353 603 L HA -0.206 4.134 4.340 -0.000 0.000 0.220 603 L C 1.748 178.512 176.870 -0.176 0.000 1.133 603 L CA 1.083 55.852 54.840 -0.118 0.000 0.798 603 L CB -0.409 41.513 42.059 -0.228 0.000 0.922 603 L HN 0.261 nan 8.230 nan 0.000 0.445 604 Y N -1.098 119.221 120.300 0.031 0.000 2.466 604 Y HA 0.104 4.654 4.550 -0.000 0.000 0.272 604 Y C 1.728 177.652 175.900 0.040 0.000 1.169 604 Y CA -0.249 57.873 58.100 0.036 0.000 1.285 604 Y CB 0.056 38.541 38.460 0.041 0.000 1.078 604 Y HN -0.021 nan 8.280 nan 0.000 0.523 605 S N 2.381 118.175 115.700 0.157 0.000 2.568 605 S HA 0.016 4.486 4.470 -0.000 0.000 0.282 605 S C -1.137 173.511 174.600 0.081 0.000 1.338 605 S CA -1.093 57.176 58.200 0.115 0.000 1.045 605 S CB 0.738 63.991 63.200 0.088 0.000 0.873 605 S HN 0.160 nan 8.310 nan 0.000 0.516 606 P HA 0.170 nan 4.420 nan 0.000 0.240 606 P C -0.021 177.303 177.300 0.039 0.000 1.190 606 P CA 0.389 63.519 63.100 0.051 0.000 0.781 606 P CB -0.010 31.718 31.700 0.045 0.000 0.931 607 I N 1.269 121.862 120.570 0.039 0.000 2.322 607 I HA 0.117 4.287 4.170 -0.000 0.000 0.292 607 I C 1.908 178.042 176.117 0.029 0.000 1.060 607 I CA -0.209 61.110 61.300 0.031 0.000 1.309 607 I CB 0.675 38.693 38.000 0.030 0.000 1.415 607 I HN -0.097 nan 8.210 nan 0.000 0.492 608 E N 4.871 125.087 120.200 0.027 0.000 2.114 608 E HA -0.267 4.083 4.350 -0.000 0.000 0.199 608 E C 1.506 178.121 176.600 0.026 0.000 1.008 608 E CA 1.697 58.112 56.400 0.025 0.000 0.810 608 E CB 0.220 29.936 29.700 0.026 0.000 0.739 608 E HN 0.632 nan 8.360 nan 0.000 0.456 609 N N 0.207 118.924 118.700 0.028 0.000 2.244 609 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 609 N C 1.899 177.421 175.510 0.020 0.000 1.016 609 N CA 0.922 53.990 53.050 0.030 0.000 0.866 609 N CB -0.118 38.389 38.487 0.034 0.000 0.980 609 N HN 0.310 nan 8.380 nan 0.000 0.430 610 I N 1.443 122.024 120.570 0.018 0.000 2.286 610 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 610 I C 2.184 178.293 176.117 -0.012 0.000 1.104 610 I CA 0.901 62.208 61.300 0.011 0.000 1.397 610 I CB -0.199 37.819 38.000 0.030 0.000 1.072 610 I HN 0.119 nan 8.210 nan 0.000 0.417 611 Q N 0.266 120.063 119.800 -0.005 0.000 2.135 611 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 611 Q C 2.308 178.283 176.000 -0.041 0.000 0.981 611 Q CA 1.440 57.229 55.803 -0.023 0.000 0.856 611 Q CB -0.268 28.464 28.738 -0.009 0.000 0.902 611 Q HN 0.423 nan 8.270 nan 0.000 0.425 612 R N 0.746 121.239 120.500 -0.011 0.000 2.070 612 R HA -0.144 4.196 4.340 -0.000 0.000 0.233 612 R C 2.329 178.551 176.300 -0.131 0.000 1.137 612 R CA 1.765 57.877 56.100 0.019 0.000 0.945 612 R CB -0.202 30.143 30.300 0.074 0.000 0.845 612 R HN 0.306 nan 8.270 nan 0.000 0.430 613 V N -1.711 118.114 119.914 -0.148 0.000 2.667 613 V HA 0.021 4.141 4.120 -0.000 0.000 0.252 613 V C 2.257 178.081 176.094 -0.449 0.000 1.065 613 V CA 1.484 63.605 62.300 -0.298 0.000 1.083 613 V CB -0.888 30.869 31.823 -0.112 0.000 0.692 613 V HN 0.369 nan 8.190 nan 0.000 0.468 614 A N 0.980 123.624 122.820 -0.293 0.000 1.873 614 A HA 0.142 4.462 4.320 -0.000 0.000 0.215 614 A C 2.479 179.834 177.584 -0.381 0.000 1.186 614 A CA 2.173 54.030 52.037 -0.299 0.000 0.616 614 A CB -1.081 17.856 19.000 -0.105 0.000 0.823 614 A HN 0.870 nan 8.150 nan 0.000 0.442 615 A N -0.516 122.118 122.820 -0.310 0.000 1.930 615 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 615 A C 2.367 179.602 177.584 -0.581 0.000 1.175 615 A CA 1.792 53.658 52.037 -0.285 0.000 0.627 615 A CB -1.302 17.639 19.000 -0.099 0.000 0.815 615 A HN 0.694 nan 8.150 nan 0.000 0.443 616 G N -0.745 107.444 108.800 -1.017 0.000 2.421 616 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 616 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 616 G C 1.621 175.830 174.900 -1.150 0.000 1.171 616 G CA 1.219 45.235 45.100 -1.807 0.000 0.775 616 G HN 0.521 nan 8.290 nan 0.000 0.543 617 V N 0.492 119.841 119.914 -0.942 0.000 2.515 617 V HA 0.034 4.154 4.120 -0.000 0.000 0.250 617 V C 2.792 178.615 176.094 -0.453 0.000 1.058 617 V CA 1.363 63.301 62.300 -0.602 0.000 1.064 617 V CB -0.178 31.122 31.823 -0.873 0.000 0.675 617 V HN 0.398 nan 8.190 nan 0.000 0.461 618 L N -0.761 120.196 121.223 -0.445 0.000 2.093 618 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 618 L C 2.714 179.496 176.870 -0.147 0.000 1.085 618 L CA 1.697 56.408 54.840 -0.214 0.000 0.755 618 L CB -0.673 41.297 42.059 -0.149 0.000 0.904 618 L HN 0.539 nan 8.230 nan 0.000 0.435 619 C N 0.096 119.274 119.300 -0.203 0.000 2.432 619 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 619 C C 2.816 177.779 174.990 -0.045 0.000 1.249 619 C CA 0.797 59.764 59.018 -0.085 0.000 1.725 619 C CB -0.549 27.152 27.740 -0.065 0.000 2.028 619 C HN 0.478 nan 8.230 nan 0.000 0.477 620 E N 0.737 120.892 120.200 -0.074 0.000 2.058 620 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 620 E C 2.164 178.747 176.600 -0.027 0.000 0.997 620 E CA 1.378 57.763 56.400 -0.026 0.000 0.801 620 E CB -0.650 29.039 29.700 -0.017 0.000 0.746 620 E HN 0.693 nan 8.360 nan 0.000 0.450 621 L N 0.390 121.588 121.223 -0.041 0.000 2.083 621 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 621 L C 2.487 179.357 176.870 -0.001 0.000 1.083 621 L CA 1.082 55.916 54.840 -0.010 0.000 0.752 621 L CB -0.601 41.466 42.059 0.013 0.000 0.899 621 L HN 0.048 nan 8.230 nan 0.000 0.433 622 A N 0.448 123.265 122.820 -0.005 0.000 2.178 622 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 622 A C 2.235 179.828 177.584 0.015 0.000 1.157 622 A CA 1.327 53.369 52.037 0.008 0.000 0.689 622 A CB -0.552 18.454 19.000 0.012 0.000 0.787 622 A HN 0.680 nan 8.150 nan 0.000 0.465 623 Q N -0.352 119.456 119.800 0.013 0.000 2.437 623 Q HA -0.080 4.260 4.340 -0.000 0.000 0.210 623 Q C -0.745 175.261 176.000 0.010 0.000 0.972 623 Q CA 0.894 56.707 55.803 0.016 0.000 0.903 623 Q CB -0.235 28.511 28.738 0.012 0.000 0.967 623 Q HN 0.454 nan 8.270 nan 0.000 0.486 624 D N 1.339 121.742 120.400 0.006 0.000 2.280 624 D HA 0.070 4.710 4.640 -0.000 0.000 0.236 624 D C 0.274 176.578 176.300 0.006 0.000 1.082 624 D CA -0.271 53.731 54.000 0.004 0.000 0.834 624 D CB 2.003 42.804 40.800 0.002 0.000 1.100 624 D HN -0.017 nan 8.370 nan 0.000 0.486 625 K N 2.331 122.734 120.400 0.005 0.000 2.077 625 K HA -0.254 4.066 4.320 -0.000 0.000 0.213 625 K C 1.547 178.147 176.600 -0.000 0.000 1.051 625 K CA 1.552 57.840 56.287 0.002 0.000 0.929 625 K CB 0.058 32.558 32.500 -0.000 0.000 0.715 625 K HN 0.345 nan 8.250 nan 0.000 0.451 626 E N -0.079 120.122 120.200 0.002 0.000 2.085 626 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 626 E C 1.805 178.408 176.600 0.005 0.000 0.994 626 E CA 1.504 57.906 56.400 0.002 0.000 0.801 626 E CB -0.289 29.414 29.700 0.005 0.000 0.743 626 E HN 0.388 nan 8.360 nan 0.000 0.453 627 A N 1.193 124.018 122.820 0.009 0.000 1.933 627 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 627 A C 2.441 180.033 177.584 0.012 0.000 1.175 627 A CA 2.103 54.149 52.037 0.015 0.000 0.628 627 A CB -0.682 18.330 19.000 0.019 0.000 0.814 627 A HN 0.365 nan 8.150 nan 0.000 0.444 628 A N -0.031 122.793 122.820 0.006 0.000 1.933 628 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 628 A C 1.912 179.492 177.584 -0.006 0.000 1.175 628 A CA 1.652 53.690 52.037 0.002 0.000 0.628 628 A CB -0.497 18.504 19.000 0.001 0.000 0.814 628 A HN 0.666 nan 8.150 nan 0.000 0.444 629 E N -0.184 120.011 120.200 -0.009 0.000 2.047 629 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 629 E C 2.348 178.943 176.600 -0.008 0.000 0.987 629 E CA 0.875 57.265 56.400 -0.016 0.000 0.799 629 E CB -0.322 29.368 29.700 -0.017 0.000 0.752 629 E HN 0.603 nan 8.360 nan 0.000 0.449 630 A N 1.465 124.285 122.820 0.001 0.000 1.940 630 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 630 A C 2.202 179.793 177.584 0.012 0.000 1.176 630 A CA 1.123 53.163 52.037 0.006 0.000 0.631 630 A CB -0.652 18.354 19.000 0.011 0.000 0.814 630 A HN 0.142 nan 8.150 nan 0.000 0.446 631 I N -0.780 119.799 120.570 0.015 0.000 2.286 631 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 631 I C 2.562 178.688 176.117 0.014 0.000 1.115 631 I CA 1.779 63.092 61.300 0.021 0.000 1.392 631 I CB -0.282 37.730 38.000 0.020 0.000 1.065 631 I HN 0.534 nan 8.210 nan 0.000 0.418 632 E N 1.226 121.427 120.200 0.002 0.000 2.047 632 E HA -0.239 4.111 4.350 -0.000 0.000 0.191 632 E C 2.318 178.920 176.600 0.004 0.000 0.987 632 E CA 1.274 57.672 56.400 -0.003 0.000 0.799 632 E CB -0.059 29.628 29.700 -0.022 0.000 0.752 632 E HN 0.460 nan 8.360 nan 0.000 0.449 633 A N 1.351 124.172 122.820 0.001 0.000 1.948 633 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 633 A C 1.805 179.397 177.584 0.013 0.000 1.177 633 A CA 1.563 53.603 52.037 0.004 0.000 0.636 633 A CB -0.439 18.561 19.000 0.001 0.000 0.815 633 A HN 0.247 nan 8.150 nan 0.000 0.449 634 E N -0.951 119.260 120.200 0.019 0.000 2.512 634 E HA 0.164 4.513 4.350 -0.000 0.000 0.195 634 E C 1.077 177.704 176.600 0.044 0.000 1.083 634 E CA 0.639 57.056 56.400 0.028 0.000 0.873 634 E CB -0.555 29.163 29.700 0.030 0.000 0.897 634 E HN 0.854 nan 8.360 nan 0.000 0.514 635 G N 1.077 109.902 108.800 0.042 0.000 2.182 635 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.248 635 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.248 635 G C 0.967 175.908 174.900 0.068 0.000 1.042 635 G CA 0.411 45.546 45.100 0.058 0.000 0.775 635 G HN 0.426 nan 8.290 nan 0.000 0.501 636 A N -0.870 121.976 122.820 0.043 0.000 2.067 636 A HA 0.285 4.605 4.320 -0.000 0.000 0.217 636 A C 2.403 179.988 177.584 0.001 0.000 1.156 636 A CA 2.359 54.409 52.037 0.022 0.000 0.683 636 A CB -0.450 18.558 19.000 0.014 0.000 0.808 636 A HN 0.753 nan 8.150 nan 0.000 0.455 637 T N 0.748 115.311 114.554 0.015 0.000 2.635 637 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 637 T C 2.266 176.970 174.700 0.006 0.000 1.040 637 T CA 1.908 64.016 62.100 0.013 0.000 1.156 637 T CB -0.538 68.348 68.868 0.031 0.000 0.863 637 T HN 0.611 nan 8.240 nan 0.000 0.430 638 A N 2.520 125.355 122.820 0.024 0.000 1.851 638 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 638 A C 0.546 178.117 177.584 -0.022 0.000 1.195 638 A CA 1.668 53.722 52.037 0.028 0.000 0.622 638 A CB -1.681 17.364 19.000 0.075 0.000 0.831 638 A HN 0.442 nan 8.150 nan 0.000 0.444 639 P HA -0.148 nan 4.420 nan 0.000 0.215 639 P C 1.597 178.785 177.300 -0.185 0.000 1.153 639 P CA 1.095 64.028 63.100 -0.279 0.000 0.853 639 P CB -0.234 31.075 31.700 -0.652 0.000 0.788 640 L N -0.730 120.419 121.223 -0.124 0.000 2.083 640 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 640 L C 2.647 179.467 176.870 -0.083 0.000 1.083 640 L CA 1.781 56.568 54.840 -0.089 0.000 0.752 640 L CB -1.559 40.469 42.059 -0.052 0.000 0.899 640 L HN 0.018 nan 8.230 nan 0.000 0.433 641 T N -1.010 113.504 114.554 -0.066 0.000 2.788 641 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 641 T C 1.778 176.412 174.700 -0.110 0.000 1.044 641 T CA 1.102 63.157 62.100 -0.074 0.000 1.139 641 T CB -0.081 68.773 68.868 -0.023 0.000 0.867 641 T HN 0.270 nan 8.240 nan 0.000 0.454 642 E N 1.005 121.175 120.200 -0.051 0.000 2.152 642 E HA 0.085 4.435 4.350 -0.000 0.000 0.192 642 E C 2.185 178.765 176.600 -0.032 0.000 0.983 642 E CA 0.502 56.913 56.400 0.018 0.000 0.818 642 E CB -0.311 29.406 29.700 0.029 0.000 0.758 642 E HN 0.471 nan 8.360 nan 0.000 0.467 643 L N 0.567 121.741 121.223 -0.082 0.000 2.456 643 L HA -0.064 4.276 4.340 -0.000 0.000 0.224 643 L C 2.302 179.113 176.870 -0.098 0.000 1.148 643 L CA 0.220 55.020 54.840 -0.068 0.000 0.825 643 L CB -0.300 41.717 42.059 -0.068 0.000 0.937 643 L HN 0.085 nan 8.230 nan 0.000 0.450 644 L N -0.733 120.362 121.223 -0.212 0.000 2.191 644 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 644 L C 2.183 178.885 176.870 -0.280 0.000 1.103 644 L CA 0.823 55.497 54.840 -0.278 0.000 0.769 644 L CB -0.516 41.294 42.059 -0.416 0.000 0.908 644 L HN 0.438 nan 8.230 nan 0.000 0.438 645 H N -1.681 117.394 119.070 0.009 0.000 2.539 645 H HA 0.147 4.703 4.556 -0.000 0.000 0.269 645 H C 1.267 176.607 175.328 0.020 0.000 0.980 645 H CA -0.034 56.024 56.048 0.018 0.000 1.152 645 H CB 0.131 29.904 29.762 0.019 0.000 1.407 645 H HN 0.133 nan 8.280 nan 0.000 0.564 646 S N 1.541 117.286 115.700 0.075 0.000 2.554 646 S HA -0.073 4.397 4.470 -0.000 0.000 0.290 646 S C 1.763 176.398 174.600 0.058 0.000 1.309 646 S CA -0.347 57.887 58.200 0.057 0.000 1.047 646 S CB 0.838 64.053 63.200 0.025 0.000 0.828 646 S HN 0.684 nan 8.310 nan 0.000 0.509 647 R N 3.273 123.805 120.500 0.052 0.000 2.189 647 R HA 0.057 4.397 4.340 -0.000 0.000 0.218 647 R C 0.651 176.972 176.300 0.035 0.000 1.074 647 R CA 0.787 56.915 56.100 0.047 0.000 0.991 647 R CB -0.282 30.043 30.300 0.041 0.000 0.883 647 R HN 0.505 nan 8.270 nan 0.000 0.457 648 N N 1.883 120.601 118.700 0.029 0.000 2.406 648 N HA -0.015 4.725 4.740 -0.000 0.000 0.251 648 N C -0.195 175.322 175.510 0.012 0.000 1.069 648 N CA 0.062 53.125 53.050 0.021 0.000 0.947 648 N CB 1.125 39.627 38.487 0.024 0.000 1.111 648 N HN 0.319 nan 8.380 nan 0.000 0.497 649 E N 2.154 122.356 120.200 0.003 0.000 2.204 649 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 649 E C 1.565 178.134 176.600 -0.051 0.000 0.989 649 E CA 0.920 57.312 56.400 -0.013 0.000 0.824 649 E CB 0.121 29.815 29.700 -0.011 0.000 0.756 649 E HN 0.764 nan 8.360 nan 0.000 0.477 650 G N 1.118 109.887 108.800 -0.051 0.000 2.402 650 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 650 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 650 G C 1.752 176.613 174.900 -0.064 0.000 1.162 650 G CA 0.545 45.580 45.100 -0.108 0.000 0.777 650 G HN 0.109 nan 8.290 nan 0.000 0.539 651 V N 1.667 121.595 119.914 0.023 0.000 2.295 651 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 651 V C 3.352 179.463 176.094 0.030 0.000 1.049 651 V CA 2.108 64.445 62.300 0.062 0.000 1.024 651 V CB -0.953 30.891 31.823 0.034 0.000 0.648 651 V HN 0.469 nan 8.190 nan 0.000 0.447 652 A N -0.525 122.290 122.820 -0.007 0.000 1.908 652 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 652 A C 2.399 179.962 177.584 -0.034 0.000 1.181 652 A CA 2.616 54.638 52.037 -0.025 0.000 0.627 652 A CB -1.018 17.970 19.000 -0.021 0.000 0.818 652 A HN 0.499 nan 8.150 nan 0.000 0.445 653 T N -1.450 113.059 114.554 -0.075 0.000 2.746 653 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 653 T C 1.710 176.368 174.700 -0.070 0.000 1.039 653 T CA 1.600 63.634 62.100 -0.110 0.000 1.142 653 T CB -0.441 68.303 68.868 -0.207 0.000 0.866 653 T HN 0.598 nan 8.240 nan 0.000 0.444 654 Y N 1.072 121.355 120.300 -0.028 0.000 2.224 654 Y HA -0.116 4.434 4.550 0.000 0.000 0.289 654 Y C 2.778 178.652 175.900 -0.043 0.000 1.146 654 Y CA 0.489 58.563 58.100 -0.042 0.000 1.182 654 Y CB -0.251 38.162 38.460 -0.077 0.000 0.983 654 Y HN 0.208 nan 8.280 nan 0.000 0.524 655 A N 0.166 123.050 122.820 0.106 0.000 1.902 655 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 655 A C 2.371 179.976 177.584 0.037 0.000 1.181 655 A CA 1.745 53.803 52.037 0.034 0.000 0.623 655 A CB -1.132 17.858 19.000 -0.017 0.000 0.818 655 A HN 0.438 nan 8.150 nan 0.000 0.443 656 A N -0.214 122.627 122.820 0.034 0.000 1.898 656 A HA 0.187 4.507 4.320 -0.000 0.000 0.216 656 A C 2.500 180.151 177.584 0.111 0.000 1.181 656 A CA 2.012 54.083 52.037 0.055 0.000 0.620 656 A CB -0.979 18.031 19.000 0.016 0.000 0.819 656 A HN 1.030 nan 8.150 nan 0.000 0.442 657 A N -0.514 122.366 122.820 0.100 0.000 1.877 657 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 657 A C 2.225 179.887 177.584 0.129 0.000 1.186 657 A CA 1.878 53.989 52.037 0.123 0.000 0.620 657 A CB -0.926 18.156 19.000 0.136 0.000 0.822 657 A HN 0.406 nan 8.150 nan 0.000 0.443 658 V N -0.032 119.939 119.914 0.095 0.000 2.358 658 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 658 V C 2.542 178.671 176.094 0.058 0.000 1.047 658 V CA 1.738 64.074 62.300 0.059 0.000 1.035 658 V CB -0.790 31.045 31.823 0.020 0.000 0.658 658 V HN 0.543 nan 8.190 nan 0.000 0.452 659 L N -1.421 119.840 121.223 0.065 0.000 2.042 659 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 659 L C 2.340 179.232 176.870 0.036 0.000 1.076 659 L CA 1.833 56.700 54.840 0.045 0.000 0.749 659 L CB -0.483 41.605 42.059 0.048 0.000 0.893 659 L HN 0.277 nan 8.230 nan 0.000 0.432 660 F N -0.078 119.884 119.950 0.021 0.000 2.325 660 F HA -0.125 4.402 4.527 0.000 0.000 0.299 660 F C 2.560 178.371 175.800 0.018 0.000 1.090 660 F CA 0.827 58.843 58.000 0.026 0.000 1.392 660 F CB -0.003 39.007 39.000 0.017 0.000 1.053 660 F HN -0.144 nan 8.300 nan 0.000 0.521 661 R N -0.022 120.568 120.500 0.150 0.000 2.073 661 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 661 R C 2.159 178.462 176.300 0.004 0.000 1.134 661 R CA 1.688 57.840 56.100 0.086 0.000 0.952 661 R CB -0.562 29.779 30.300 0.068 0.000 0.850 661 R HN 0.246 nan 8.270 nan 0.000 0.433 662 M N -0.735 118.850 119.600 -0.025 0.000 2.358 662 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 662 M C 1.038 177.259 176.300 -0.132 0.000 1.064 662 M CA 1.335 56.598 55.300 -0.062 0.000 1.093 662 M CB 0.159 32.731 32.600 -0.047 0.000 1.401 662 M HN -0.052 nan 8.290 nan 0.000 0.440 663 S N -0.503 115.077 115.700 -0.200 0.000 2.554 663 S HA 0.093 4.563 4.470 -0.000 0.000 0.226 663 S C 1.171 175.611 174.600 -0.267 0.000 0.980 663 S CA -0.232 57.784 58.200 -0.307 0.000 0.939 663 S CB 0.064 63.044 63.200 -0.367 0.000 0.832 663 S HN 0.397 nan 8.310 nan 0.000 0.486 664 E N 1.635 121.747 120.200 -0.146 0.000 2.187 664 E HA -0.188 4.162 4.350 -0.000 0.000 0.199 664 E C 0.483 177.053 176.600 -0.049 0.000 1.004 664 E CA 1.034 57.411 56.400 -0.038 0.000 0.813 664 E CB 0.009 29.728 29.700 0.031 0.000 0.736 664 E HN 0.429 nan 8.360 nan 0.000 0.468 665 D N -0.041 120.306 120.400 -0.088 0.000 2.349 665 D HA 0.025 4.665 4.640 -0.000 0.000 0.214 665 D C 0.272 176.503 176.300 -0.114 0.000 1.063 665 D CA 0.222 54.174 54.000 -0.079 0.000 0.847 665 D CB 0.392 41.151 40.800 -0.067 0.000 0.933 665 D HN -0.039 nan 8.370 nan 0.000 0.513 666 K N 1.669 121.960 120.400 -0.181 0.000 2.118 666 K HA 0.273 4.593 4.320 -0.000 0.000 0.240 666 K C -2.126 174.417 176.600 -0.096 0.000 1.035 666 K CA -1.589 54.561 56.287 -0.227 0.000 0.899 666 K CB -0.328 31.870 32.500 -0.504 0.000 1.085 666 K HN -0.008 nan 8.250 nan 0.000 0.498 667 P HA 0.100 nan 4.420 nan 0.000 0.271 667 P C 0.050 177.383 177.300 0.056 0.000 1.218 667 P CA -0.007 63.101 63.100 0.014 0.000 0.780 667 P CB 0.711 32.428 31.700 0.029 0.000 0.901 668 Q N 1.243 121.074 119.800 0.051 0.000 2.217 668 Q HA -0.241 4.099 4.340 -0.000 0.000 0.209 668 Q C 1.653 177.701 176.000 0.079 0.000 0.988 668 Q CA 2.337 58.180 55.803 0.067 0.000 0.878 668 Q CB -0.896 27.873 28.738 0.053 0.000 0.909 668 Q HN 0.613 nan 8.270 nan 0.000 0.424 669 D N -1.336 119.109 120.400 0.074 0.000 2.117 669 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 669 D C 1.570 177.918 176.300 0.080 0.000 0.987 669 D CA 0.972 55.011 54.000 0.065 0.000 0.829 669 D CB -0.179 40.654 40.800 0.055 0.000 0.961 669 D HN 0.371 nan 8.370 nan 0.000 0.460 670 Y N 0.976 121.261 120.300 -0.025 0.000 2.220 670 Y HA 0.046 4.596 4.550 -0.000 0.000 0.291 670 Y C 2.022 177.880 175.900 -0.070 0.000 1.129 670 Y CA 1.433 59.504 58.100 -0.048 0.000 1.161 670 Y CB -0.016 38.405 38.460 -0.066 0.000 0.997 670 Y HN -0.116 nan 8.280 nan 0.000 0.522 671 K N -0.176 120.346 120.400 0.203 0.000 2.097 671 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 671 K C 2.067 178.764 176.600 0.162 0.000 1.049 671 K CA 1.206 57.555 56.287 0.104 0.000 0.933 671 K CB -0.041 32.532 32.500 0.121 0.000 0.717 671 K HN 0.090 nan 8.250 nan 0.000 0.442 672 K N 0.790 121.261 120.400 0.117 0.000 2.097 672 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 672 K C 2.091 178.711 176.600 0.034 0.000 1.049 672 K CA 1.155 57.493 56.287 0.085 0.000 0.933 672 K CB -0.169 32.362 32.500 0.051 0.000 0.717 672 K HN 0.138 nan 8.250 nan 0.000 0.442 673 R N 0.595 121.077 120.500 -0.029 0.000 2.066 673 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 673 R C 2.363 178.613 176.300 -0.083 0.000 1.131 673 R CA 0.852 56.898 56.100 -0.089 0.000 0.955 673 R CB -0.319 29.869 30.300 -0.187 0.000 0.851 673 R HN 0.036 nan 8.270 nan 0.000 0.432 674 L N 0.691 121.856 121.223 -0.095 0.000 2.012 674 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 674 L C 1.992 178.922 176.870 0.100 0.000 1.073 674 L CA 1.922 56.744 54.840 -0.030 0.000 0.748 674 L CB -0.645 41.383 42.059 -0.051 0.000 0.891 674 L HN 0.064 nan 8.230 nan 0.000 0.431 675 S N -1.172 114.648 115.700 0.200 0.000 2.383 675 S HA -0.177 4.293 4.470 -0.000 0.000 0.229 675 S C 1.986 176.579 174.600 -0.011 0.000 1.030 675 S CA 1.388 59.668 58.200 0.133 0.000 1.002 675 S CB -0.474 62.793 63.200 0.112 0.000 0.829 675 S HN 0.370 nan 8.310 nan 0.000 0.467 676 V N 1.536 121.440 119.914 -0.018 0.000 2.332 676 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 676 V C 2.447 178.500 176.094 -0.069 0.000 1.055 676 V CA 2.105 64.373 62.300 -0.054 0.000 1.038 676 V CB -0.562 31.238 31.823 -0.038 0.000 0.651 676 V HN 0.550 nan 8.190 nan 0.000 0.450 677 E N -0.047 120.126 120.200 -0.046 0.000 2.072 677 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 677 E C 2.209 178.769 176.600 -0.066 0.000 0.985 677 E CA 1.084 57.461 56.400 -0.038 0.000 0.801 677 E CB -0.087 29.594 29.700 -0.031 0.000 0.750 677 E HN 0.582 nan 8.360 nan 0.000 0.452 678 L N 0.325 121.508 121.223 -0.067 0.000 2.056 678 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 678 L C 2.602 179.332 176.870 -0.233 0.000 1.078 678 L CA 1.537 56.316 54.840 -0.101 0.000 0.749 678 L CB -0.767 41.266 42.059 -0.043 0.000 0.901 678 L HN 0.214 nan 8.230 nan 0.000 0.433 679 T N -0.815 113.536 114.554 -0.338 0.000 2.737 679 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 679 T C 2.179 176.550 174.700 -0.548 0.000 1.038 679 T CA 1.639 63.304 62.100 -0.726 0.000 1.144 679 T CB -0.127 68.368 68.868 -0.621 0.000 0.866 679 T HN 0.228 nan 8.240 nan 0.000 0.434 680 S N 1.298 116.856 115.700 -0.236 0.000 2.399 680 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 680 S C 2.423 177.020 174.600 -0.006 0.000 1.022 680 S CA 1.033 59.185 58.200 -0.080 0.000 0.983 680 S CB -0.260 62.929 63.200 -0.018 0.000 0.803 680 S HN 0.422 nan 8.310 nan 0.000 0.480 681 S N 1.148 116.834 115.700 -0.024 0.000 2.404 681 S HA 0.236 4.706 4.470 -0.000 0.000 0.223 681 S C 1.669 176.293 174.600 0.040 0.000 1.040 681 S CA 0.464 58.693 58.200 0.048 0.000 0.957 681 S CB -0.144 63.017 63.200 -0.066 0.000 0.826 681 S HN 0.362 nan 8.310 nan 0.000 0.491 682 L N 0.282 121.493 121.223 -0.020 0.000 2.341 682 L HA 0.167 4.507 4.340 -0.000 0.000 0.214 682 L C -0.259 176.792 176.870 0.302 0.000 1.115 682 L CA 0.321 55.210 54.840 0.082 0.000 0.820 682 L CB -0.167 41.918 42.059 0.045 0.000 0.944 682 L HN 0.217 nan 8.230 nan 0.000 0.452 683 F N 1.462 121.416 119.950 0.007 0.000 2.404 683 F HA 0.255 4.782 4.527 0.000 0.000 0.359 683 F C 0.630 176.436 175.800 0.010 0.000 1.134 683 F CA -1.043 56.958 58.000 0.001 0.000 1.160 683 F CB -0.007 38.991 39.000 -0.003 0.000 1.186 683 F HN -0.180 nan 8.300 nan 0.000 0.526 684 R N 1.442 122.044 120.500 0.169 0.000 2.216 684 R HA 0.457 4.797 4.340 -0.000 0.000 0.332 684 R C 0.450 176.785 176.300 0.058 0.000 1.056 684 R CA -0.115 56.045 56.100 0.101 0.000 0.901 684 R CB 0.926 31.269 30.300 0.071 0.000 1.039 684 R HN 0.616 nan 8.270 nan 0.000 0.456 685 T N 1.063 115.649 114.554 0.053 0.000 2.778 685 T HA 0.667 5.017 4.350 -0.000 0.000 0.293 685 T C -0.623 174.067 174.700 -0.017 0.000 1.144 685 T CA 0.605 62.712 62.100 0.011 0.000 1.010 685 T CB 0.788 69.662 68.868 0.011 0.000 1.325 685 T HN 0.720 nan 8.240 nan 0.000 0.515 686 E N -0.180 119.983 120.200 -0.061 0.000 4.986 686 E HA -0.097 4.253 4.350 -0.000 0.000 0.189 686 E C -2.560 174.001 176.600 -0.066 0.000 1.463 686 E CA 0.416 56.739 56.400 -0.128 0.000 2.419 686 E CB -3.055 26.505 29.700 -0.233 0.000 2.049 686 E HN 0.854 nan 8.360 nan 0.000 0.476 687 P HA 0.540 nan 4.420 nan 0.000 0.286 687 P C 1.379 178.768 177.300 0.149 0.000 1.269 687 P CA 1.208 64.352 63.100 0.073 0.000 0.787 687 P CB 0.620 32.418 31.700 0.164 0.000 0.920 688 M N 3.877 123.542 119.600 0.108 0.000 2.163 688 M HA -0.183 4.297 4.480 -0.000 0.000 0.258 688 M C 2.103 178.487 176.300 0.140 0.000 1.071 688 M CA 3.251 58.615 55.300 0.107 0.000 1.093 688 M CB -2.398 30.245 32.600 0.072 0.000 1.285 688 M HN 0.525 nan 8.290 nan 0.000 0.420 689 A N -1.319 121.578 122.820 0.128 0.000 2.264 689 A HA -0.038 4.282 4.320 -0.000 0.000 0.207 689 A C 1.909 179.562 177.584 0.116 0.000 1.196 689 A CA 0.834 52.931 52.037 0.100 0.000 0.778 689 A CB -1.478 17.561 19.000 0.064 0.000 0.779 689 A HN 0.946 nan 8.150 nan 0.000 0.483 690 W N 0.602 121.903 121.300 0.003 0.000 2.341 690 W HA -0.239 4.421 4.660 -0.000 0.000 0.283 690 W C 0.882 177.396 176.519 -0.008 0.000 1.215 690 W CA 2.148 59.492 57.345 -0.002 0.000 1.211 690 W CB -0.530 28.929 29.460 -0.001 0.000 1.131 690 W HN 0.805 nan 8.180 nan 0.000 0.552 691 N N 0.000 118.709 118.700 0.014 0.000 1.763 691 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 691 N CA 0.000 53.014 53.050 -0.060 0.000 0.885 691 N CB 0.000 38.391 38.487 -0.160 0.000 1.341 691 N HN 0.000 nan 8.380 nan 0.000 0.667