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 2bap_1_B DATA FIRST_RESID 135 DATA SEQUENCE SAMMYIQELR SGLRDMHLLS CLESLRVSLN NNPVSWVQTF GAEGLASLLD DATA SEQUENCE ILKRLHDEKX XXXXXXDSRN QHEIIRCLKA FMNNKFGIKT MLETEEGILL DATA SEQUENCE LVRAMDPAVP NMMIDAAKLL SALCILPQPE DMNERVLEAM TERAEMDEVE DATA SEQUENCE RFQPLLDGLK SGTSIALKVG CLQLINALIT PAEELDFRVH IRSELMRLGL DATA SEQUENCE HQVLQELREI ENEDMKVQLC VFDEQGDEDF FDLKGRLDDI RMEMDDFGEV DATA SEQUENCE FQIILNTVKD SKAEPHFLSI LQHLLLVRND YEARPQYYKL IEECVSQIVL DATA SEQUENCE H 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 135 S HA 0.000 nan 4.470 nan 0.000 0.327 135 S C 0.000 174.770 174.600 0.283 0.000 1.055 135 S CA 0.000 58.362 58.200 0.270 0.000 1.107 135 S CB 0.000 63.356 63.200 0.260 0.000 0.593 136 A N 1.918 124.680 122.820 -0.097 0.000 2.072 136 A HA 0.263 4.568 4.320 -0.024 0.000 0.216 136 A C 1.954 179.575 177.584 0.060 0.000 1.156 136 A CA 1.014 52.880 52.037 -0.285 0.000 0.701 136 A CB -0.936 17.376 19.000 -1.148 0.000 0.816 136 A HN 0.542 nan 8.150 nan 0.000 0.458 137 M N -0.936 118.676 119.600 0.021 0.000 2.255 137 M HA -0.230 4.235 4.480 -0.024 0.000 0.259 137 M C 2.293 178.633 176.300 0.067 0.000 1.071 137 M CA 1.643 56.969 55.300 0.044 0.000 1.074 137 M CB -0.800 31.808 32.600 0.012 0.000 1.384 137 M HN 0.523 nan 8.290 nan 0.000 0.415 138 M N -0.060 119.572 119.600 0.054 0.000 2.106 138 M HA -0.254 4.212 4.480 -0.024 0.000 0.259 138 M C 1.960 178.241 176.300 -0.032 0.000 1.068 138 M CA 2.156 57.437 55.300 -0.033 0.000 1.100 138 M CB -0.335 32.187 32.600 -0.131 0.000 1.351 138 M HN 0.219 nan 8.290 nan 0.000 0.404 139 Y N -0.129 120.253 120.300 0.137 0.000 2.263 139 Y HA -0.132 4.404 4.550 -0.024 0.000 0.292 139 Y C 2.153 178.194 175.900 0.236 0.000 1.130 139 Y CA 1.171 59.386 58.100 0.191 0.000 1.179 139 Y CB -0.283 38.293 38.460 0.194 0.000 0.998 139 Y HN 0.201 nan 8.280 nan 0.000 0.532 140 I N -0.119 120.666 120.570 0.358 0.000 2.091 140 I HA -0.381 3.775 4.170 -0.024 0.000 0.239 140 I C 2.319 178.478 176.117 0.070 0.000 1.061 140 I CA 1.436 62.803 61.300 0.111 0.000 1.317 140 I CB -0.491 37.495 38.000 -0.023 0.000 1.031 140 I HN 0.290 nan 8.210 nan 0.000 0.401 141 Q N 0.139 119.973 119.800 0.057 0.000 2.226 141 Q HA -0.252 4.073 4.340 -0.024 0.000 0.204 141 Q C 2.025 178.049 176.000 0.039 0.000 0.975 141 Q CA 1.408 57.229 55.803 0.029 0.000 0.866 141 Q CB -0.215 28.532 28.738 0.014 0.000 0.915 141 Q HN 0.473 nan 8.270 nan 0.000 0.440 142 E N 0.721 120.962 120.200 0.068 0.000 2.028 142 E HA -0.103 4.233 4.350 -0.024 0.000 0.191 142 E C 2.036 178.685 176.600 0.081 0.000 0.988 142 E CA 0.904 57.344 56.400 0.067 0.000 0.799 142 E CB -0.195 29.554 29.700 0.082 0.000 0.755 142 E HN 0.276 nan 8.360 nan 0.000 0.447 143 L N -0.242 121.050 121.223 0.116 0.000 2.093 143 L HA -0.071 4.254 4.340 -0.024 0.000 0.208 143 L C 2.634 179.534 176.870 0.050 0.000 1.085 143 L CA 1.204 56.102 54.840 0.095 0.000 0.755 143 L CB -0.391 41.740 42.059 0.120 0.000 0.904 143 L HN -0.004 nan 8.230 nan 0.000 0.435 144 R N 0.005 120.526 120.500 0.034 0.000 2.080 144 R HA -0.098 4.227 4.340 -0.024 0.000 0.236 144 R C 1.985 178.292 176.300 0.013 0.000 1.137 144 R CA 1.596 57.703 56.100 0.012 0.000 0.943 144 R CB -0.370 29.930 30.300 0.000 0.000 0.846 144 R HN 0.193 nan 8.270 nan 0.000 0.431 145 S N 0.228 115.937 115.700 0.016 0.000 2.894 145 S HA 0.092 4.548 4.470 -0.024 0.000 0.231 145 S C 0.293 174.899 174.600 0.009 0.000 0.971 145 S CA 0.584 58.790 58.200 0.009 0.000 1.005 145 S CB -0.053 63.151 63.200 0.007 0.000 0.799 145 S HN 0.651 nan 8.310 nan 0.000 0.527 146 G N 2.183 110.991 108.800 0.015 0.000 2.392 146 G HA2 -0.194 3.751 3.960 -0.024 0.000 0.256 146 G HA3 -0.194 3.751 3.960 -0.024 0.000 0.256 146 G C 0.121 175.027 174.900 0.010 0.000 0.920 146 G CA -0.422 44.685 45.100 0.012 0.000 1.316 146 G HN 0.312 nan 8.290 nan 0.000 0.416 147 L N 0.482 121.720 121.223 0.026 0.000 2.347 147 L HA 0.521 4.846 4.340 -0.024 0.000 0.172 147 L C 1.314 178.194 176.870 0.017 0.000 1.009 147 L CA 0.548 55.406 54.840 0.029 0.000 0.974 147 L CB -0.058 42.039 42.059 0.063 0.000 1.427 147 L HN 0.660 nan 8.230 nan 0.000 0.507 148 R N -1.122 119.399 120.500 0.035 0.000 2.741 148 R HA 0.143 4.468 4.340 -0.024 0.000 0.274 148 R C -1.498 174.860 176.300 0.098 0.000 1.029 148 R CA -1.095 55.030 56.100 0.041 0.000 0.880 148 R CB 0.180 30.482 30.300 0.003 0.000 1.264 148 R HN 0.681 nan 8.270 nan 0.000 0.465 149 D N 1.040 121.493 120.400 0.087 0.000 2.703 149 D HA -0.092 4.533 4.640 -0.024 0.000 0.225 149 D C 1.372 177.766 176.300 0.157 0.000 1.119 149 D CA 1.655 55.712 54.000 0.095 0.000 0.845 149 D CB 0.496 41.335 40.800 0.066 0.000 1.182 149 D HN 0.554 nan 8.370 nan 0.000 0.493 150 M N 2.028 121.674 119.600 0.076 0.000 3.336 150 M HA -0.436 4.030 4.480 -0.024 0.000 0.148 150 M C 0.533 176.814 176.300 -0.031 0.000 0.684 150 M CA 2.285 57.577 55.300 -0.013 0.000 0.646 150 M CB -1.406 31.134 32.600 -0.099 0.000 2.001 150 M HN 0.773 nan 8.290 nan 0.000 0.258 151 H N 1.032 120.112 119.070 0.016 0.000 2.489 151 H HA 0.033 4.575 4.556 -0.024 0.000 0.295 151 H C 1.469 176.815 175.328 0.029 0.000 1.082 151 H CA 1.794 57.854 56.048 0.020 0.000 1.295 151 H CB -0.318 29.454 29.762 0.016 0.000 1.380 151 H HN 0.549 nan 8.280 nan 0.000 0.548 152 L N -0.318 120.994 121.223 0.149 0.000 2.102 152 L HA 0.011 4.336 4.340 -0.024 0.000 0.202 152 L C 2.095 179.010 176.870 0.075 0.000 1.076 152 L CA 1.064 55.965 54.840 0.102 0.000 0.761 152 L CB -0.619 41.490 42.059 0.085 0.000 0.921 152 L HN 0.282 nan 8.230 nan 0.000 0.444 153 L N -0.652 120.601 121.223 0.050 0.000 2.010 153 L HA -0.367 3.958 4.340 -0.024 0.000 0.219 153 L C 2.767 179.652 176.870 0.025 0.000 1.077 153 L CA 2.106 56.961 54.840 0.025 0.000 0.773 153 L CB -0.560 41.499 42.059 0.001 0.000 0.892 153 L HN 0.578 nan 8.230 nan 0.000 0.436 154 S N -1.278 114.434 115.700 0.020 0.000 2.359 154 S HA -0.314 4.141 4.470 -0.024 0.000 0.223 154 S C 2.223 176.864 174.600 0.068 0.000 1.039 154 S CA 1.730 59.946 58.200 0.026 0.000 1.042 154 S CB -0.697 62.509 63.200 0.011 0.000 0.915 154 S HN 0.725 nan 8.310 nan 0.000 0.439 155 C N 1.090 120.449 119.300 0.098 0.000 2.413 155 C HA 0.025 4.470 4.460 -0.024 0.000 0.277 155 C C 2.499 177.593 174.990 0.174 0.000 1.265 155 C CA 1.028 60.142 59.018 0.159 0.000 1.752 155 C CB -1.716 26.121 27.740 0.163 0.000 1.998 155 C HN 0.688 nan 8.230 nan 0.000 0.489 156 L N 0.228 121.513 121.223 0.103 0.000 2.072 156 L HA -0.058 4.267 4.340 -0.024 0.000 0.205 156 L C 2.729 179.612 176.870 0.022 0.000 1.079 156 L CA 1.671 56.546 54.840 0.058 0.000 0.752 156 L CB -0.864 41.225 42.059 0.050 0.000 0.906 156 L HN 0.369 nan 8.230 nan 0.000 0.436 157 E N -0.463 119.751 120.200 0.024 0.000 2.209 157 E HA -0.228 4.108 4.350 -0.024 0.000 0.196 157 E C 2.276 178.880 176.600 0.006 0.000 0.993 157 E CA 1.413 57.814 56.400 0.002 0.000 0.819 157 E CB -0.022 29.675 29.700 -0.005 0.000 0.745 157 E HN 0.297 nan 8.360 nan 0.000 0.477 158 S N 0.170 115.898 115.700 0.046 0.000 2.470 158 S HA -0.052 4.403 4.470 -0.024 0.000 0.225 158 S C 1.823 176.423 174.600 0.000 0.000 1.006 158 S CA 0.167 58.410 58.200 0.070 0.000 0.934 158 S CB 0.089 63.394 63.200 0.175 0.000 0.778 158 S HN 0.191 nan 8.310 nan 0.000 0.517 159 L N 2.913 124.084 121.223 -0.088 0.000 2.044 159 L HA 0.092 4.417 4.340 -0.024 0.000 0.205 159 L C 2.443 179.145 176.870 -0.279 0.000 1.075 159 L CA 1.886 56.479 54.840 -0.411 0.000 0.747 159 L CB -0.744 41.083 42.059 -0.386 0.000 0.903 159 L HN 0.388 nan 8.230 nan 0.000 0.435 160 R N -0.939 119.477 120.500 -0.139 0.000 2.080 160 R HA -0.133 4.193 4.340 -0.024 0.000 0.236 160 R C 1.938 178.187 176.300 -0.085 0.000 1.137 160 R CA 1.861 57.913 56.100 -0.081 0.000 0.943 160 R CB -1.771 28.508 30.300 -0.034 0.000 0.846 160 R HN 0.264 nan 8.270 nan 0.000 0.431 161 V N 1.852 121.716 119.914 -0.083 0.000 2.282 161 V HA -0.295 3.810 4.120 -0.024 0.000 0.249 161 V C 2.498 178.508 176.094 -0.140 0.000 1.057 161 V CA 2.361 64.610 62.300 -0.085 0.000 1.032 161 V CB -0.567 31.220 31.823 -0.061 0.000 0.645 161 V HN 0.453 nan 8.190 nan 0.000 0.447 162 S N -0.072 115.517 115.700 -0.185 0.000 2.359 162 S HA -0.177 4.279 4.470 -0.024 0.000 0.224 162 S C 1.915 176.281 174.600 -0.390 0.000 1.035 162 S CA 1.679 59.673 58.200 -0.344 0.000 1.018 162 S CB -0.444 62.557 63.200 -0.332 0.000 0.876 162 S HN 0.462 nan 8.310 nan 0.000 0.448 163 L N 1.303 122.425 121.223 -0.168 0.000 2.083 163 L HA -0.151 4.174 4.340 -0.024 0.000 0.209 163 L C 2.093 178.954 176.870 -0.015 0.000 1.083 163 L CA 1.203 56.051 54.840 0.014 0.000 0.752 163 L CB -0.634 41.449 42.059 0.039 0.000 0.899 163 L HN 0.343 nan 8.230 nan 0.000 0.433 164 N N -0.334 118.332 118.700 -0.056 0.000 2.106 164 N HA -0.141 4.585 4.740 -0.024 0.000 0.188 164 N C 1.217 176.687 175.510 -0.066 0.000 1.029 164 N CA 1.182 54.207 53.050 -0.041 0.000 0.848 164 N CB 0.005 38.468 38.487 -0.040 0.000 1.007 164 N HN 0.278 nan 8.380 nan 0.000 0.423 165 N N 0.419 119.049 118.700 -0.117 0.000 2.336 165 N HA 0.050 4.776 4.740 -0.024 0.000 0.189 165 N C -0.277 175.139 175.510 -0.156 0.000 1.113 165 N CA 0.164 53.140 53.050 -0.122 0.000 0.858 165 N CB 0.031 38.442 38.487 -0.127 0.000 0.970 165 N HN 0.268 nan 8.380 nan 0.000 0.471 166 N N 1.593 120.177 118.700 -0.193 0.000 2.364 166 N HA 0.261 4.986 4.740 -0.024 0.000 0.264 166 N C -1.977 173.501 175.510 -0.054 0.000 1.263 166 N CA -0.666 52.265 53.050 -0.199 0.000 0.959 166 N CB 0.570 38.872 38.487 -0.309 0.000 1.204 166 N HN 0.056 nan 8.380 nan 0.000 0.550 167 P HA 0.176 nan 4.420 nan 0.000 0.293 167 P C 0.774 178.117 177.300 0.071 0.000 1.304 167 P CA -0.342 62.777 63.100 0.031 0.000 0.767 167 P CB 0.722 32.443 31.700 0.036 0.000 1.247 168 V N -0.163 119.773 119.914 0.036 0.000 2.626 168 V HA -0.183 3.923 4.120 -0.024 0.000 0.252 168 V C 2.654 178.738 176.094 -0.017 0.000 1.067 168 V CA 2.434 64.741 62.300 0.012 0.000 1.081 168 V CB -1.571 30.243 31.823 -0.014 0.000 0.686 168 V HN 0.700 nan 8.190 nan 0.000 0.468 169 S N -1.139 114.565 115.700 0.008 0.000 2.383 169 S HA -0.271 4.185 4.470 -0.024 0.000 0.227 169 S C 1.656 176.282 174.600 0.043 0.000 1.026 169 S CA 1.291 59.480 58.200 -0.019 0.000 0.981 169 S CB -0.798 62.410 63.200 0.013 0.000 0.818 169 S HN 0.711 nan 8.310 nan 0.000 0.472 170 W N 2.535 123.813 121.300 -0.037 0.000 2.363 170 W HA -0.046 4.599 4.660 -0.024 0.000 0.296 170 W C 2.045 178.593 176.519 0.047 0.000 1.212 170 W CA 1.235 58.585 57.345 0.008 0.000 1.260 170 W CB -0.311 29.153 29.460 0.006 0.000 1.131 170 W HN 0.126 nan 8.180 nan 0.000 0.530 171 V N 0.326 120.382 119.914 0.237 0.000 2.358 171 V HA -0.336 3.770 4.120 -0.024 0.000 0.246 171 V C 2.122 178.293 176.094 0.128 0.000 1.047 171 V CA 2.218 64.653 62.300 0.226 0.000 1.035 171 V CB -1.156 30.772 31.823 0.174 0.000 0.658 171 V HN 0.241 nan 8.190 nan 0.000 0.452 172 Q N 0.005 119.683 119.800 -0.203 0.000 2.224 172 Q HA -0.146 4.180 4.340 -0.024 0.000 0.203 172 Q C 2.274 178.173 176.000 -0.169 0.000 0.970 172 Q CA 1.861 57.331 55.803 -0.554 0.000 0.865 172 Q CB -0.323 27.908 28.738 -0.845 0.000 0.922 172 Q HN 0.678 nan 8.270 nan 0.000 0.445 173 T N 0.224 114.705 114.554 -0.122 0.000 2.995 173 T HA -0.080 4.255 4.350 -0.024 0.000 0.269 173 T C 1.178 175.849 174.700 -0.047 0.000 1.091 173 T CA 0.534 62.571 62.100 -0.107 0.000 1.128 173 T CB -0.161 68.598 68.868 -0.181 0.000 0.891 173 T HN 0.206 nan 8.240 nan 0.000 0.492 174 F N 1.998 121.831 119.950 -0.195 0.000 2.367 174 F HA 0.286 4.798 4.527 -0.024 0.000 0.298 174 F C 1.786 177.617 175.800 0.051 0.000 1.094 174 F CA 0.234 58.160 58.000 -0.125 0.000 1.409 174 F CB -0.829 38.082 39.000 -0.148 0.000 1.064 174 F HN 0.306 nan 8.300 nan 0.000 0.528 175 G N 0.630 109.615 108.800 0.307 0.000 2.602 175 G HA2 -0.382 3.563 3.960 -0.024 0.000 0.317 175 G HA3 -0.382 3.563 3.960 -0.024 0.000 0.317 175 G C 1.207 176.250 174.900 0.238 0.000 1.327 175 G CA 0.834 46.191 45.100 0.429 0.000 0.971 175 G HN 0.869 nan 8.290 nan 0.000 0.540 176 A N -1.342 121.545 122.820 0.113 0.000 1.975 176 A HA 0.246 4.552 4.320 -0.024 0.000 0.215 176 A C 2.159 179.642 177.584 -0.167 0.000 1.170 176 A CA 2.098 54.120 52.037 -0.025 0.000 0.656 176 A CB -0.381 18.613 19.000 -0.010 0.000 0.821 176 A HN 0.761 nan 8.150 nan 0.000 0.449 177 E N 0.392 120.480 120.200 -0.188 0.000 2.051 177 E HA -0.056 4.279 4.350 -0.024 0.000 0.192 177 E C 2.000 178.357 176.600 -0.404 0.000 0.991 177 E CA 1.292 57.552 56.400 -0.233 0.000 0.799 177 E CB -0.904 28.686 29.700 -0.184 0.000 0.748 177 E HN 0.468 nan 8.360 nan 0.000 0.449 178 G N 1.338 109.674 108.800 -0.774 0.000 2.433 178 G HA2 -0.241 3.704 3.960 -0.024 0.000 0.216 178 G HA3 -0.241 3.704 3.960 -0.024 0.000 0.216 178 G C 1.519 175.922 174.900 -0.829 0.000 1.186 178 G CA 0.873 45.122 45.100 -1.419 0.000 0.779 178 G HN 0.236 nan 8.290 nan 0.000 0.543 179 L N 1.775 122.566 121.223 -0.720 0.000 1.991 179 L HA -0.139 4.186 4.340 -0.024 0.000 0.221 179 L C 3.047 179.762 176.870 -0.257 0.000 1.079 179 L CA 2.656 57.210 54.840 -0.476 0.000 0.778 179 L CB -1.094 40.652 42.059 -0.522 0.000 0.893 179 L HN 0.296 nan 8.230 nan 0.000 0.437 180 A N -0.992 121.695 122.820 -0.221 0.000 1.870 180 A HA -0.317 3.989 4.320 -0.024 0.000 0.219 180 A C 2.343 179.864 177.584 -0.105 0.000 1.224 180 A CA 2.912 54.869 52.037 -0.133 0.000 0.650 180 A CB -1.450 17.479 19.000 -0.119 0.000 0.836 180 A HN 0.636 nan 8.150 nan 0.000 0.454 181 S N -0.446 115.177 115.700 -0.128 0.000 2.440 181 S HA -0.090 4.365 4.470 -0.024 0.000 0.238 181 S C 1.741 176.328 174.600 -0.021 0.000 1.010 181 S CA 1.384 59.543 58.200 -0.068 0.000 0.972 181 S CB -0.409 62.748 63.200 -0.071 0.000 0.774 181 S HN 0.449 nan 8.310 nan 0.000 0.501 182 L N 0.612 121.819 121.223 -0.026 0.000 2.044 182 L HA -0.009 4.316 4.340 -0.024 0.000 0.205 182 L C 2.127 179.005 176.870 0.014 0.000 1.075 182 L CA 0.983 55.835 54.840 0.019 0.000 0.747 182 L CB -0.357 41.718 42.059 0.027 0.000 0.903 182 L HN 0.291 nan 8.230 nan 0.000 0.435 183 L N -0.794 120.424 121.223 -0.008 0.000 2.056 183 L HA -0.215 4.111 4.340 -0.024 0.000 0.207 183 L C 2.139 179.021 176.870 0.021 0.000 1.078 183 L CA 0.965 55.812 54.840 0.011 0.000 0.749 183 L CB -0.785 41.270 42.059 -0.006 0.000 0.901 183 L HN 0.228 nan 8.230 nan 0.000 0.433 184 D N 0.505 120.906 120.400 0.003 0.000 2.172 184 D HA -0.206 4.420 4.640 -0.024 0.000 0.196 184 D C 2.197 178.510 176.300 0.022 0.000 0.999 184 D CA 1.424 55.428 54.000 0.007 0.000 0.856 184 D CB -0.176 40.620 40.800 -0.007 0.000 0.934 184 D HN 0.342 nan 8.370 nan 0.000 0.453 185 I N 0.049 120.634 120.570 0.025 0.000 2.193 185 I HA -0.175 3.981 4.170 -0.024 0.000 0.240 185 I C 2.503 178.642 176.117 0.037 0.000 1.084 185 I CA 0.475 61.793 61.300 0.030 0.000 1.365 185 I CB -0.106 37.914 38.000 0.035 0.000 1.064 185 I HN -0.000 nan 8.210 nan 0.000 0.410 186 L N 0.773 122.027 121.223 0.051 0.000 2.079 186 L HA -0.269 4.057 4.340 -0.024 0.000 0.210 186 L C 2.615 179.586 176.870 0.168 0.000 1.081 186 L CA 1.553 56.442 54.840 0.081 0.000 0.752 186 L CB -0.288 41.836 42.059 0.109 0.000 0.896 186 L HN 0.231 nan 8.230 nan 0.000 0.433 187 K N -0.193 120.285 120.400 0.130 0.000 1.987 187 K HA -0.281 4.024 4.320 -0.024 0.000 0.216 187 K C 2.304 178.971 176.600 0.111 0.000 1.051 187 K CA 1.825 58.185 56.287 0.122 0.000 0.942 187 K CB -0.224 32.311 32.500 0.059 0.000 0.722 187 K HN 0.118 nan 8.250 nan 0.000 0.444 188 R N 0.799 121.337 120.500 0.063 0.000 2.105 188 R HA -0.157 4.168 4.340 -0.024 0.000 0.239 188 R C 2.296 178.615 176.300 0.033 0.000 1.135 188 R CA 1.468 57.593 56.100 0.042 0.000 0.967 188 R CB -0.332 29.984 30.300 0.026 0.000 0.861 188 R HN 0.249 nan 8.270 nan 0.000 0.442 189 L N -0.415 120.814 121.223 0.010 0.000 2.042 189 L HA -0.230 4.096 4.340 -0.024 0.000 0.210 189 L C 2.604 179.427 176.870 -0.078 0.000 1.076 189 L CA 1.297 56.104 54.840 -0.056 0.000 0.749 189 L CB -0.644 41.343 42.059 -0.121 0.000 0.893 189 L HN 0.354 nan 8.230 nan 0.000 0.432 190 H N -0.331 118.747 119.070 0.013 0.000 2.357 190 H HA -0.138 4.404 4.556 -0.024 0.000 0.301 190 H C 1.821 177.155 175.328 0.009 0.000 1.082 190 H CA 1.521 57.575 56.048 0.011 0.000 1.342 190 H CB -0.050 29.717 29.762 0.009 0.000 1.389 190 H HN 0.346 nan 8.280 nan 0.000 0.511 191 D N 0.416 120.889 120.400 0.123 0.000 2.182 191 D HA -0.146 4.480 4.640 -0.024 0.000 0.201 191 D C 2.201 178.528 176.300 0.046 0.000 0.986 191 D CA 1.184 55.226 54.000 0.070 0.000 0.847 191 D CB -0.049 40.780 40.800 0.049 0.000 0.942 191 D HN 0.433 nan 8.370 nan 0.000 0.467 192 E N 0.257 120.477 120.200 0.034 0.000 2.250 192 E HA 0.009 4.345 4.350 -0.024 0.000 0.192 192 E C 0.817 177.429 176.600 0.019 0.000 0.986 192 E CA 0.481 56.893 56.400 0.020 0.000 0.849 192 E CB 0.257 29.963 29.700 0.011 0.000 0.797 192 E HN 0.000 nan 8.360 nan 0.000 0.482 202 S N -0.511 115.195 115.700 0.010 0.000 2.603 202 S HA 0.038 4.493 4.470 -0.024 0.000 0.220 202 S C 1.818 176.453 174.600 0.058 0.000 0.967 202 S CA -0.191 58.020 58.200 0.018 0.000 0.920 202 S CB 0.125 63.336 63.200 0.019 0.000 0.773 202 S HN 0.320 nan 8.310 nan 0.000 0.529 203 R N 2.191 122.717 120.500 0.043 0.000 2.096 203 R HA -0.005 4.320 4.340 -0.024 0.000 0.235 203 R C 1.909 178.233 176.300 0.040 0.000 1.127 203 R CA 1.541 57.662 56.100 0.035 0.000 0.968 203 R CB -0.487 29.814 30.300 0.002 0.000 0.861 203 R HN 0.576 nan 8.270 nan 0.000 0.440 204 N N 1.286 120.006 118.700 0.032 0.000 2.062 204 N HA -0.210 4.515 4.740 -0.024 0.000 0.191 204 N C 1.988 177.526 175.510 0.046 0.000 1.042 204 N CA 1.700 54.769 53.050 0.032 0.000 0.845 204 N CB -0.189 38.312 38.487 0.022 0.000 1.024 204 N HN 0.462 nan 8.380 nan 0.000 0.424 205 Q N 0.529 120.348 119.800 0.032 0.000 2.050 205 Q HA -0.199 4.127 4.340 -0.024 0.000 0.202 205 Q C 2.016 178.071 176.000 0.092 0.000 0.980 205 Q CA 1.295 57.113 55.803 0.025 0.000 0.840 205 Q CB -0.717 27.987 28.738 -0.057 0.000 0.898 205 Q HN 0.405 nan 8.270 nan 0.000 0.424 206 H N 1.386 120.455 119.070 -0.003 0.000 2.394 206 H HA -0.129 4.413 4.556 -0.024 0.000 0.297 206 H C 1.771 177.107 175.328 0.014 0.000 1.113 206 H CA 1.891 57.944 56.048 0.009 0.000 1.277 206 H CB 0.139 29.904 29.762 0.005 0.000 1.370 206 H HN 0.358 nan 8.280 nan 0.000 0.506 207 E N 0.171 120.484 120.200 0.190 0.000 2.152 207 E HA -0.073 4.262 4.350 -0.024 0.000 0.192 207 E C 2.674 179.334 176.600 0.100 0.000 0.983 207 E CA 0.605 57.065 56.400 0.098 0.000 0.818 207 E CB -0.062 29.659 29.700 0.034 0.000 0.758 207 E HN 0.578 nan 8.360 nan 0.000 0.467 208 I N 0.993 121.620 120.570 0.095 0.000 2.394 208 I HA -0.247 3.908 4.170 -0.024 0.000 0.251 208 I C 2.094 178.265 176.117 0.088 0.000 1.136 208 I CA 0.452 61.799 61.300 0.078 0.000 1.425 208 I CB -0.194 37.845 38.000 0.066 0.000 1.079 208 I HN 0.069 nan 8.210 nan 0.000 0.425 209 I N 0.914 121.546 120.570 0.104 0.000 2.208 209 I HA -0.259 3.896 4.170 -0.024 0.000 0.245 209 I C 2.622 178.806 176.117 0.111 0.000 1.097 209 I CA 1.648 63.005 61.300 0.094 0.000 1.363 209 I CB -1.359 36.674 38.000 0.055 0.000 1.051 209 I HN 0.253 nan 8.210 nan 0.000 0.413 210 R N 0.040 120.623 120.500 0.138 0.000 2.081 210 R HA -0.143 4.183 4.340 -0.024 0.000 0.235 210 R C 2.459 178.810 176.300 0.085 0.000 1.131 210 R CA 1.804 57.969 56.100 0.108 0.000 0.960 210 R CB -0.520 29.833 30.300 0.089 0.000 0.856 210 R HN 0.379 nan 8.270 nan 0.000 0.436 211 C N 0.521 119.866 119.300 0.076 0.000 2.435 211 C HA 0.003 4.448 4.460 -0.024 0.000 0.279 211 C C 2.489 177.563 174.990 0.139 0.000 1.321 211 C CA 0.296 59.356 59.018 0.070 0.000 1.752 211 C CB -0.919 26.841 27.740 0.033 0.000 1.959 211 C HN 0.407 nan 8.230 nan 0.000 0.500 212 L N 0.796 122.102 121.223 0.138 0.000 2.044 212 L HA -0.110 4.216 4.340 -0.024 0.000 0.205 212 L C 2.841 179.830 176.870 0.198 0.000 1.075 212 L CA 1.241 56.196 54.840 0.192 0.000 0.747 212 L CB -0.730 41.410 42.059 0.136 0.000 0.903 212 L HN 0.212 nan 8.230 nan 0.000 0.435 213 K N 0.756 121.236 120.400 0.133 0.000 2.034 213 K HA -0.255 4.050 4.320 -0.024 0.000 0.214 213 K C 2.043 178.705 176.600 0.104 0.000 1.051 213 K CA 2.071 58.420 56.287 0.102 0.000 0.931 213 K CB -0.298 32.251 32.500 0.081 0.000 0.715 213 K HN 0.308 nan 8.250 nan 0.000 0.446 214 A N 0.451 123.339 122.820 0.113 0.000 1.877 214 A HA -0.173 4.132 4.320 -0.024 0.000 0.216 214 A C 2.165 179.843 177.584 0.156 0.000 1.186 214 A CA 1.514 53.615 52.037 0.107 0.000 0.620 214 A CB -0.885 18.168 19.000 0.088 0.000 0.822 214 A HN 0.431 nan 8.150 nan 0.000 0.443 215 F N 0.404 120.398 119.950 0.073 0.000 2.126 215 F HA -0.161 4.351 4.527 -0.024 0.000 0.299 215 F C 2.097 177.969 175.800 0.119 0.000 1.096 215 F CA 2.082 60.151 58.000 0.116 0.000 1.255 215 F CB -0.269 38.818 39.000 0.145 0.000 0.997 215 F HN 0.156 nan 8.300 nan 0.000 0.479 216 M N -0.330 119.301 119.600 0.053 0.000 2.659 216 M HA -0.080 4.386 4.480 -0.024 0.000 0.243 216 M C 1.060 177.332 176.300 -0.046 0.000 1.111 216 M CA 0.413 55.684 55.300 -0.048 0.000 1.070 216 M CB -0.517 32.118 32.600 0.058 0.000 1.525 216 M HN 0.071 nan 8.290 nan 0.000 0.517 217 N N 2.864 121.553 118.700 -0.017 0.000 2.626 217 N HA -0.030 4.695 4.740 -0.024 0.000 0.226 217 N C -1.070 174.429 175.510 -0.018 0.000 1.376 217 N CA 0.258 53.305 53.050 -0.005 0.000 0.894 217 N CB -0.348 38.147 38.487 0.014 0.000 1.218 217 N HN 0.584 nan 8.380 nan 0.000 0.492 218 N N -2.726 115.951 118.700 -0.038 0.000 2.961 218 N HA 0.119 4.845 4.740 -0.024 0.000 0.245 218 N C 0.093 175.594 175.510 -0.016 0.000 1.404 218 N CA -0.826 52.212 53.050 -0.019 0.000 0.880 218 N CB 1.012 39.493 38.487 -0.009 0.000 1.461 218 N HN -0.351 nan 8.380 nan 0.000 0.510 219 K N -0.181 120.229 120.400 0.017 0.000 2.009 219 K HA -0.147 4.159 4.320 -0.024 0.000 0.210 219 K C 1.299 177.914 176.600 0.025 0.000 1.049 219 K CA 1.764 58.063 56.287 0.020 0.000 0.929 219 K CB -0.464 32.059 32.500 0.038 0.000 0.714 219 K HN 0.540 nan 8.250 nan 0.000 0.440 220 F N 1.462 121.359 119.950 -0.089 0.000 2.161 220 F HA -0.181 4.331 4.527 -0.024 0.000 0.300 220 F C 2.074 177.759 175.800 -0.192 0.000 1.089 220 F CA 1.833 59.773 58.000 -0.101 0.000 1.282 220 F CB -0.481 38.469 39.000 -0.084 0.000 1.010 220 F HN 0.034 nan 8.300 nan 0.000 0.485 221 G N 0.537 109.229 108.800 -0.180 0.000 2.404 221 G HA2 -0.192 3.753 3.960 -0.024 0.000 0.215 221 G HA3 -0.192 3.753 3.960 -0.024 0.000 0.215 221 G C 1.700 176.404 174.900 -0.326 0.000 1.174 221 G CA 1.110 45.844 45.100 -0.610 0.000 0.780 221 G HN 0.443 nan 8.290 nan 0.000 0.537 222 I N 1.627 122.101 120.570 -0.160 0.000 2.076 222 I HA -0.221 3.935 4.170 -0.024 0.000 0.237 222 I C 2.879 178.957 176.117 -0.066 0.000 1.059 222 I CA 2.008 63.269 61.300 -0.065 0.000 1.317 222 I CB -0.229 37.746 38.000 -0.041 0.000 1.037 222 I HN 0.261 nan 8.210 nan 0.000 0.398 223 K N 0.353 120.691 120.400 -0.103 0.000 2.286 223 K HA -0.159 4.146 4.320 -0.024 0.000 0.203 223 K C 1.614 178.134 176.600 -0.133 0.000 1.045 223 K CA 1.942 58.166 56.287 -0.106 0.000 0.935 223 K CB -0.691 31.743 32.500 -0.111 0.000 0.737 223 K HN 0.286 nan 8.250 nan 0.000 0.460 224 T N 0.642 115.081 114.554 -0.192 0.000 3.054 224 T HA 0.022 4.358 4.350 -0.024 0.000 0.259 224 T C 1.421 176.146 174.700 0.041 0.000 1.092 224 T CA 0.698 62.714 62.100 -0.140 0.000 1.121 224 T CB -0.014 68.694 68.868 -0.267 0.000 0.912 224 T HN 0.179 nan 8.240 nan 0.000 0.489 225 M N 1.005 120.660 119.600 0.092 0.000 2.349 225 M HA 0.292 4.758 4.480 -0.024 0.000 0.266 225 M C 1.402 177.725 176.300 0.039 0.000 1.076 225 M CA 1.218 56.582 55.300 0.107 0.000 1.126 225 M CB -0.504 32.183 32.600 0.145 0.000 1.392 225 M HN 0.119 nan 8.290 nan 0.000 0.440 226 L N -0.720 120.509 121.223 0.010 0.000 2.599 226 L HA 0.032 4.357 4.340 -0.024 0.000 0.230 226 L C 1.419 178.283 176.870 -0.011 0.000 1.141 226 L CA 0.408 55.247 54.840 -0.002 0.000 0.877 226 L CB -0.435 41.618 42.059 -0.011 0.000 1.009 226 L HN 0.357 nan 8.230 nan 0.000 0.447 227 E N -0.538 119.651 120.200 -0.018 0.000 2.389 227 E HA 0.013 4.348 4.350 -0.024 0.000 0.199 227 E C 0.703 177.294 176.600 -0.015 0.000 0.978 227 E CA 0.113 56.499 56.400 -0.023 0.000 0.912 227 E CB 0.538 30.213 29.700 -0.041 0.000 0.907 227 E HN 0.380 nan 8.360 nan 0.000 0.494 228 T N -0.193 114.356 114.554 -0.008 0.000 2.919 228 T HA 0.107 4.443 4.350 -0.024 0.000 0.302 228 T C 1.005 175.702 174.700 -0.006 0.000 1.031 228 T CA -0.554 61.541 62.100 -0.009 0.000 1.127 228 T CB 1.708 70.572 68.868 -0.008 0.000 0.952 228 T HN -0.183 nan 8.240 nan 0.000 0.540 229 E N 1.472 121.667 120.200 -0.009 0.000 2.012 229 E HA -0.123 4.213 4.350 -0.024 0.000 0.197 229 E C 1.720 178.316 176.600 -0.005 0.000 1.007 229 E CA 1.339 57.735 56.400 -0.007 0.000 0.816 229 E CB -0.056 29.638 29.700 -0.009 0.000 0.762 229 E HN 0.740 nan 8.360 nan 0.000 0.451 230 E N 0.258 120.454 120.200 -0.007 0.000 2.445 230 E HA 0.070 4.406 4.350 -0.024 0.000 0.189 230 E C 1.530 178.129 176.600 -0.001 0.000 1.069 230 E CA 0.222 56.618 56.400 -0.007 0.000 0.871 230 E CB 0.065 29.760 29.700 -0.009 0.000 0.991 230 E HN 0.241 nan 8.360 nan 0.000 0.481 231 G N 2.167 110.970 108.800 0.005 0.000 2.771 231 G HA2 -0.274 3.672 3.960 -0.024 0.000 0.214 231 G HA3 -0.274 3.672 3.960 -0.024 0.000 0.214 231 G C 1.459 176.370 174.900 0.019 0.000 1.331 231 G CA 0.680 45.789 45.100 0.016 0.000 0.812 231 G HN 0.215 nan 8.290 nan 0.000 0.628 232 I N 0.845 121.427 120.570 0.018 0.000 2.264 232 I HA -0.116 4.039 4.170 -0.024 0.000 0.248 232 I C 2.665 178.788 176.117 0.011 0.000 1.111 232 I CA 0.578 61.890 61.300 0.020 0.000 1.382 232 I CB -0.463 37.550 38.000 0.022 0.000 1.060 232 I HN 0.164 nan 8.210 nan 0.000 0.418 233 L N -0.337 120.885 121.223 -0.001 0.000 2.012 233 L HA -0.242 4.084 4.340 -0.024 0.000 0.210 233 L C 2.468 179.318 176.870 -0.034 0.000 1.073 233 L CA 1.552 56.382 54.840 -0.018 0.000 0.748 233 L CB -0.185 41.858 42.059 -0.028 0.000 0.891 233 L HN 0.233 nan 8.230 nan 0.000 0.431 234 L N -0.977 120.231 121.223 -0.024 0.000 2.141 234 L HA -0.247 4.079 4.340 -0.024 0.000 0.209 234 L C 2.409 179.287 176.870 0.014 0.000 1.094 234 L CA 0.928 55.755 54.840 -0.022 0.000 0.763 234 L CB -0.281 41.790 42.059 0.020 0.000 0.908 234 L HN 0.279 nan 8.230 nan 0.000 0.437 235 L N -1.278 119.958 121.223 0.023 0.000 2.042 235 L HA -0.238 4.088 4.340 -0.024 0.000 0.210 235 L C 2.478 179.360 176.870 0.020 0.000 1.076 235 L CA 1.055 55.912 54.840 0.029 0.000 0.749 235 L CB -0.546 41.532 42.059 0.032 0.000 0.893 235 L HN 0.042 nan 8.230 nan 0.000 0.432 236 V N 0.482 120.402 119.914 0.010 0.000 2.233 236 V HA -0.300 3.806 4.120 -0.024 0.000 0.247 236 V C 2.396 178.490 176.094 0.000 0.000 1.050 236 V CA 2.262 64.568 62.300 0.011 0.000 1.010 236 V CB -0.807 31.022 31.823 0.010 0.000 0.637 236 V HN 0.572 nan 8.190 nan 0.000 0.444 237 R N 1.137 121.614 120.500 -0.038 0.000 2.339 237 R HA 0.122 4.448 4.340 -0.024 0.000 0.199 237 R C 1.924 178.244 176.300 0.035 0.000 1.018 237 R CA 0.989 57.051 56.100 -0.064 0.000 1.036 237 R CB -0.581 29.578 30.300 -0.236 0.000 0.899 237 R HN 0.463 nan 8.270 nan 0.000 0.473 238 A N 1.894 124.749 122.820 0.059 0.000 1.970 238 A HA 0.098 4.404 4.320 -0.024 0.000 0.216 238 A C 1.302 178.902 177.584 0.027 0.000 1.170 238 A CA 0.116 52.199 52.037 0.078 0.000 0.645 238 A CB -0.096 18.933 19.000 0.049 0.000 0.816 238 A HN 0.216 nan 8.150 nan 0.000 0.447 239 M N 1.773 121.383 119.600 0.017 0.000 2.685 239 M HA 0.061 4.526 4.480 -0.024 0.000 0.344 239 M C -0.792 175.516 176.300 0.014 0.000 1.754 239 M CA 0.473 55.777 55.300 0.007 0.000 1.263 239 M CB -0.520 32.088 32.600 0.014 0.000 2.042 239 M HN 0.229 nan 8.290 nan 0.000 0.459 240 D N 5.444 125.845 120.400 0.002 0.000 2.736 240 D HA 0.350 4.976 4.640 -0.024 0.000 0.243 240 D C -2.258 174.042 176.300 -0.000 0.000 1.304 240 D CA -1.937 52.069 54.000 0.009 0.000 0.934 240 D CB 2.157 42.967 40.800 0.017 0.000 1.382 240 D HN 0.065 nan 8.370 nan 0.000 0.571 241 P HA -0.048 nan 4.420 nan 0.000 0.218 241 P C 0.985 178.287 177.300 0.003 0.000 1.148 241 P CA 1.156 64.257 63.100 0.001 0.000 0.822 241 P CB 0.264 31.966 31.700 0.003 0.000 0.784 242 A N -1.062 121.763 122.820 0.007 0.000 2.119 242 A HA 0.005 4.311 4.320 -0.024 0.000 0.217 242 A C 1.124 178.715 177.584 0.012 0.000 1.153 242 A CA 1.031 53.074 52.037 0.010 0.000 0.692 242 A CB -0.611 18.396 19.000 0.012 0.000 0.799 242 A HN 0.118 nan 8.150 nan 0.000 0.458 243 V N 0.587 120.506 119.914 0.007 0.000 2.361 243 V HA 0.154 4.259 4.120 -0.024 0.000 0.252 243 V C -1.939 174.152 176.094 -0.005 0.000 0.986 243 V CA -0.932 61.374 62.300 0.010 0.000 1.033 243 V CB 0.921 32.748 31.823 0.007 0.000 1.282 243 V HN 0.145 nan 8.190 nan 0.000 0.514 244 P HA -0.219 nan 4.420 nan 0.000 0.209 244 P C 1.633 178.931 177.300 -0.004 0.000 1.167 244 P CA 1.936 65.038 63.100 0.002 0.000 0.941 244 P CB -0.016 31.692 31.700 0.014 0.000 0.787 245 N N -0.677 118.050 118.700 0.045 0.000 2.322 245 N HA -0.221 4.504 4.740 -0.024 0.000 0.189 245 N C 1.708 177.190 175.510 -0.047 0.000 1.012 245 N CA 1.452 54.564 53.050 0.104 0.000 0.880 245 N CB -1.026 37.613 38.487 0.254 0.000 0.967 245 N HN 0.293 nan 8.380 nan 0.000 0.439 246 M N 0.316 119.728 119.600 -0.313 0.000 2.115 246 M HA -0.006 4.460 4.480 -0.024 0.000 0.261 246 M C 2.427 178.580 176.300 -0.245 0.000 1.079 246 M CA 1.009 55.938 55.300 -0.619 0.000 1.143 246 M CB -0.014 32.283 32.600 -0.504 0.000 1.332 246 M HN 0.114 nan 8.290 nan 0.000 0.421 247 M N 0.674 120.196 119.600 -0.129 0.000 2.082 247 M HA -0.257 4.208 4.480 -0.024 0.000 0.258 247 M C 1.776 178.046 176.300 -0.049 0.000 1.069 247 M CA 2.022 57.283 55.300 -0.064 0.000 1.102 247 M CB -0.361 32.217 32.600 -0.036 0.000 1.336 247 M HN 0.368 nan 8.290 nan 0.000 0.404 248 I N -0.065 120.481 120.570 -0.041 0.000 2.264 248 I HA -0.327 3.829 4.170 -0.024 0.000 0.248 248 I C 1.927 178.037 176.117 -0.012 0.000 1.111 248 I CA 1.357 62.646 61.300 -0.019 0.000 1.382 248 I CB -0.774 37.225 38.000 -0.001 0.000 1.060 248 I HN 0.375 nan 8.210 nan 0.000 0.418 249 D N 0.758 121.144 120.400 -0.023 0.000 2.194 249 D HA -0.045 4.581 4.640 -0.024 0.000 0.204 249 D C 2.274 178.570 176.300 -0.007 0.000 0.964 249 D CA 1.300 55.300 54.000 -0.001 0.000 0.846 249 D CB 0.194 41.004 40.800 0.016 0.000 0.962 249 D HN 0.334 nan 8.370 nan 0.000 0.490 250 A N 1.433 124.234 122.820 -0.032 0.000 1.855 250 A HA -0.045 4.260 4.320 -0.024 0.000 0.215 250 A C 2.348 179.932 177.584 0.001 0.000 1.191 250 A CA 2.053 54.083 52.037 -0.013 0.000 0.613 250 A CB -0.729 18.258 19.000 -0.021 0.000 0.829 250 A HN 0.221 nan 8.150 nan 0.000 0.442 251 A N 0.020 122.836 122.820 -0.007 0.000 1.859 251 A HA -0.235 4.070 4.320 -0.024 0.000 0.217 251 A C 2.101 179.686 177.584 0.000 0.000 1.198 251 A CA 2.032 54.066 52.037 -0.005 0.000 0.629 251 A CB -0.652 18.338 19.000 -0.017 0.000 0.830 251 A HN 0.523 nan 8.150 nan 0.000 0.446 252 K N -0.688 119.713 120.400 0.001 0.000 2.127 252 K HA -0.156 4.149 4.320 -0.024 0.000 0.208 252 K C 1.886 178.494 176.600 0.014 0.000 1.047 252 K CA 1.570 57.861 56.287 0.007 0.000 0.927 252 K CB -0.430 32.076 32.500 0.010 0.000 0.716 252 K HN 0.507 nan 8.250 nan 0.000 0.450 253 L N 0.516 121.752 121.223 0.020 0.000 2.072 253 L HA -0.146 4.180 4.340 -0.024 0.000 0.205 253 L C 2.310 179.196 176.870 0.027 0.000 1.079 253 L CA 0.782 55.639 54.840 0.029 0.000 0.752 253 L CB -0.248 41.835 42.059 0.040 0.000 0.906 253 L HN 0.159 nan 8.230 nan 0.000 0.436 254 L N -0.661 120.575 121.223 0.023 0.000 2.005 254 L HA -0.194 4.132 4.340 -0.024 0.000 0.207 254 L C 2.852 179.734 176.870 0.020 0.000 1.072 254 L CA 1.670 56.524 54.840 0.024 0.000 0.744 254 L CB -0.579 41.495 42.059 0.025 0.000 0.895 254 L HN 0.353 nan 8.230 nan 0.000 0.433 255 S N 0.209 115.916 115.700 0.012 0.000 2.400 255 S HA -0.198 4.257 4.470 -0.024 0.000 0.232 255 S C 2.142 176.746 174.600 0.008 0.000 1.025 255 S CA 0.932 59.136 58.200 0.007 0.000 0.993 255 S CB -0.633 62.566 63.200 -0.001 0.000 0.808 255 S HN 0.409 nan 8.310 nan 0.000 0.478 256 A N 2.080 124.907 122.820 0.010 0.000 1.908 256 A HA 0.031 4.337 4.320 -0.024 0.000 0.218 256 A C 2.265 179.854 177.584 0.009 0.000 1.181 256 A CA 1.513 53.556 52.037 0.010 0.000 0.627 256 A CB -0.860 18.149 19.000 0.014 0.000 0.818 256 A HN 0.513 nan 8.150 nan 0.000 0.445 257 L N -0.864 120.367 121.223 0.013 0.000 2.093 257 L HA -0.221 4.104 4.340 -0.024 0.000 0.208 257 L C 2.672 179.546 176.870 0.007 0.000 1.085 257 L CA 1.165 56.012 54.840 0.012 0.000 0.755 257 L CB -0.633 41.437 42.059 0.018 0.000 0.904 257 L HN 0.492 nan 8.230 nan 0.000 0.435 258 C N 0.099 119.404 119.300 0.008 0.000 2.413 258 C HA -0.171 4.274 4.460 -0.024 0.000 0.277 258 C C 2.646 177.631 174.990 -0.010 0.000 1.265 258 C CA 0.590 59.608 59.018 0.001 0.000 1.752 258 C CB -0.877 26.865 27.740 0.004 0.000 1.998 258 C HN 0.465 nan 8.230 nan 0.000 0.489 259 I N 0.082 120.648 120.570 -0.006 0.000 2.394 259 I HA -0.081 4.074 4.170 -0.024 0.000 0.251 259 I C 0.615 176.726 176.117 -0.009 0.000 1.136 259 I CA 0.285 61.580 61.300 -0.009 0.000 1.425 259 I CB -0.546 37.451 38.000 -0.005 0.000 1.079 259 I HN 0.142 nan 8.210 nan 0.000 0.425 260 L N 3.407 124.627 121.223 -0.006 0.000 2.706 260 L HA -0.087 4.238 4.340 -0.024 0.000 0.282 260 L C -1.525 175.340 176.870 -0.008 0.000 1.219 260 L CA 0.147 54.983 54.840 -0.006 0.000 0.935 260 L CB -0.611 41.446 42.059 -0.004 0.000 1.204 260 L HN 0.045 nan 8.230 nan 0.000 0.491 261 P HA 0.061 nan 4.420 nan 0.000 0.253 261 P C 0.280 177.577 177.300 -0.007 0.000 1.459 261 P CA 0.145 63.240 63.100 -0.008 0.000 0.908 261 P CB 0.825 32.521 31.700 -0.007 0.000 1.470 262 Q N -0.494 119.302 119.800 -0.006 0.000 2.462 262 Q HA 0.208 4.534 4.340 -0.024 0.000 0.194 262 Q C -1.779 174.219 176.000 -0.004 0.000 0.694 262 Q CA 0.531 56.331 55.803 -0.005 0.000 0.873 262 Q CB -0.653 28.082 28.738 -0.004 0.000 1.261 262 Q HN 0.209 nan 8.270 nan 0.000 0.531 263 P HA 0.181 nan 4.420 nan 0.000 0.268 263 P C -0.920 176.379 177.300 -0.001 0.000 1.541 263 P CA 0.106 63.204 63.100 -0.003 0.000 1.093 263 P CB -0.229 31.469 31.700 -0.004 0.000 1.551 264 E N 2.485 122.685 120.200 -0.001 0.000 2.529 264 E HA -0.043 4.293 4.350 -0.024 0.000 0.259 264 E C 0.042 176.642 176.600 0.001 0.000 0.966 264 E CA 0.161 56.560 56.400 -0.002 0.000 0.937 264 E CB -0.120 29.581 29.700 0.001 0.000 0.923 264 E HN 0.380 nan 8.360 nan 0.000 0.468 265 D N 2.647 123.043 120.400 -0.007 0.000 2.739 265 D HA -0.203 4.423 4.640 -0.024 0.000 0.240 265 D C 0.573 176.879 176.300 0.011 0.000 1.114 265 D CA 0.407 54.404 54.000 -0.005 0.000 0.695 265 D CB -0.688 40.122 40.800 0.017 0.000 1.078 265 D HN 0.481 nan 8.370 nan 0.000 0.434 266 M N 0.465 120.067 119.600 0.003 0.000 2.229 266 M HA -0.105 4.361 4.480 -0.024 0.000 0.264 266 M C 2.184 178.501 176.300 0.028 0.000 1.063 266 M CA 1.394 56.703 55.300 0.015 0.000 1.114 266 M CB -0.657 31.948 32.600 0.008 0.000 1.387 266 M HN 0.401 nan 8.290 nan 0.000 0.420 267 N N 0.404 119.115 118.700 0.018 0.000 2.223 267 N HA -0.204 4.521 4.740 -0.024 0.000 0.185 267 N C 1.342 176.917 175.510 0.109 0.000 1.016 267 N CA 1.390 54.466 53.050 0.043 0.000 0.863 267 N CB -0.564 37.920 38.487 -0.004 0.000 0.983 267 N HN 0.496 nan 8.380 nan 0.000 0.429 268 E N 0.426 120.696 120.200 0.117 0.000 2.072 268 E HA -0.068 4.267 4.350 -0.024 0.000 0.191 268 E C 2.149 178.815 176.600 0.110 0.000 0.985 268 E CA 0.392 56.903 56.400 0.185 0.000 0.801 268 E CB -0.072 29.743 29.700 0.193 0.000 0.750 268 E HN 0.331 nan 8.360 nan 0.000 0.452 269 R N 1.012 121.556 120.500 0.073 0.000 2.120 269 R HA -0.128 4.198 4.340 -0.024 0.000 0.234 269 R C 2.087 178.417 176.300 0.050 0.000 1.123 269 R CA 0.893 57.023 56.100 0.049 0.000 0.975 269 R CB -0.052 30.269 30.300 0.035 0.000 0.866 269 R HN 0.063 nan 8.270 nan 0.000 0.446 270 V N 1.338 121.290 119.914 0.064 0.000 2.244 270 V HA -0.244 3.862 4.120 -0.024 0.000 0.244 270 V C 2.447 178.593 176.094 0.087 0.000 1.042 270 V CA 1.215 63.557 62.300 0.069 0.000 1.006 270 V CB -0.611 31.256 31.823 0.075 0.000 0.641 270 V HN 0.280 nan 8.190 nan 0.000 0.446 271 L N 0.520 121.815 121.223 0.120 0.000 1.978 271 L HA -0.242 4.083 4.340 -0.024 0.000 0.218 271 L C 2.603 179.497 176.870 0.040 0.000 1.075 271 L CA 2.461 57.375 54.840 0.123 0.000 0.767 271 L CB -1.330 40.819 42.059 0.151 0.000 0.890 271 L HN 0.553 nan 8.230 nan 0.000 0.434 272 E N -0.830 119.387 120.200 0.028 0.000 2.130 272 E HA -0.241 4.094 4.350 -0.024 0.000 0.196 272 E C 1.874 178.471 176.600 -0.004 0.000 0.998 272 E CA 1.517 57.916 56.400 -0.003 0.000 0.806 272 E CB 0.053 29.759 29.700 0.008 0.000 0.738 272 E HN 0.541 nan 8.360 nan 0.000 0.459 273 A N 0.494 123.322 122.820 0.013 0.000 2.066 273 A HA -0.039 4.267 4.320 -0.024 0.000 0.218 273 A C 2.113 179.701 177.584 0.006 0.000 1.157 273 A CA 0.788 52.828 52.037 0.007 0.000 0.670 273 A CB -0.314 18.694 19.000 0.014 0.000 0.804 273 A HN 0.275 nan 8.150 nan 0.000 0.453 274 M N -0.687 118.927 119.600 0.023 0.000 2.296 274 M HA -0.094 4.372 4.480 -0.024 0.000 0.265 274 M C 1.975 178.260 176.300 -0.025 0.000 1.064 274 M CA 1.622 56.939 55.300 0.029 0.000 1.109 274 M CB -0.535 32.127 32.600 0.103 0.000 1.396 274 M HN 0.420 nan 8.290 nan 0.000 0.430 275 T N 0.060 114.585 114.554 -0.049 0.000 2.770 275 T HA -0.109 4.227 4.350 -0.024 0.000 0.263 275 T C 1.566 176.236 174.700 -0.050 0.000 1.039 275 T CA 1.178 63.234 62.100 -0.074 0.000 1.142 275 T CB -0.229 68.591 68.868 -0.080 0.000 0.868 275 T HN 0.426 nan 8.240 nan 0.000 0.435 276 E N 0.871 121.050 120.200 -0.035 0.000 2.086 276 E HA -0.251 4.085 4.350 -0.024 0.000 0.200 276 E C 2.326 178.905 176.600 -0.034 0.000 1.012 276 E CA 1.481 57.862 56.400 -0.031 0.000 0.812 276 E CB -0.129 29.556 29.700 -0.026 0.000 0.743 276 E HN 0.359 nan 8.360 nan 0.000 0.453 277 R N 0.781 121.260 120.500 -0.035 0.000 2.189 277 R HA 0.014 4.340 4.340 -0.024 0.000 0.218 277 R C 1.934 178.216 176.300 -0.030 0.000 1.074 277 R CA 1.325 57.402 56.100 -0.038 0.000 0.991 277 R CB -0.274 30.002 30.300 -0.040 0.000 0.883 277 R HN 0.102 nan 8.270 nan 0.000 0.457 278 A N 0.699 123.499 122.820 -0.034 0.000 2.019 278 A HA -0.139 4.166 4.320 -0.024 0.000 0.219 278 A C 1.683 179.248 177.584 -0.031 0.000 1.164 278 A CA 1.607 53.622 52.037 -0.036 0.000 0.644 278 A CB -0.293 18.670 19.000 -0.062 0.000 0.805 278 A HN 0.622 nan 8.150 nan 0.000 0.449 279 E N -1.221 118.961 120.200 -0.031 0.000 2.057 279 E HA -0.004 4.331 4.350 -0.024 0.000 0.190 279 E C 1.946 178.535 176.600 -0.018 0.000 0.969 279 E CA 0.730 57.115 56.400 -0.024 0.000 0.812 279 E CB -0.340 29.346 29.700 -0.024 0.000 0.777 279 E HN 0.533 nan 8.360 nan 0.000 0.455 280 M N 1.059 120.647 119.600 -0.021 0.000 2.513 280 M HA -0.261 4.204 4.480 -0.024 0.000 0.256 280 M C -0.102 176.190 176.300 -0.012 0.000 1.061 280 M CA 1.698 56.986 55.300 -0.020 0.000 1.065 280 M CB -0.078 32.503 32.600 -0.031 0.000 1.279 280 M HN -0.082 nan 8.290 nan 0.000 0.453 281 D N 0.329 120.722 120.400 -0.011 0.000 2.414 281 D HA 0.185 4.810 4.640 -0.024 0.000 0.232 281 D C -0.987 175.309 176.300 -0.006 0.000 1.070 281 D CA -0.112 53.886 54.000 -0.004 0.000 0.839 281 D CB 0.743 41.545 40.800 0.003 0.000 1.079 281 D HN 0.209 nan 8.370 nan 0.000 0.521 282 E N 2.288 122.485 120.200 -0.005 0.000 1.954 282 E HA 0.169 4.505 4.350 -0.024 0.000 0.272 282 E C -0.499 176.096 176.600 -0.007 0.000 1.170 282 E CA 0.016 56.411 56.400 -0.008 0.000 1.101 282 E CB 0.088 29.785 29.700 -0.006 0.000 1.076 282 E HN 0.158 nan 8.360 nan 0.000 0.449 283 V N 0.517 120.425 119.914 -0.009 0.000 3.159 283 V HA 0.237 4.342 4.120 -0.024 0.000 0.308 283 V C -0.002 176.083 176.094 -0.016 0.000 1.190 283 V CA -1.425 60.871 62.300 -0.006 0.000 1.037 283 V CB 2.054 33.879 31.823 0.004 0.000 1.060 283 V HN 0.211 nan 8.190 nan 0.000 0.437 284 E N 1.601 121.794 120.200 -0.013 0.000 2.529 284 E HA 0.003 4.338 4.350 -0.024 0.000 0.259 284 E C 1.499 178.077 176.600 -0.036 0.000 0.966 284 E CA 0.463 56.845 56.400 -0.030 0.000 0.937 284 E CB 0.536 30.234 29.700 -0.003 0.000 0.923 284 E HN 0.651 nan 8.360 nan 0.000 0.468 285 R N 4.028 124.450 120.500 -0.129 0.000 2.249 285 R HA -0.149 4.177 4.340 -0.024 0.000 0.230 285 R C 1.048 177.351 176.300 0.005 0.000 1.121 285 R CA 1.507 57.512 56.100 -0.157 0.000 0.997 285 R CB -0.194 29.901 30.300 -0.342 0.000 0.867 285 R HN 0.548 nan 8.270 nan 0.000 0.465 286 F N 0.222 120.173 119.950 0.001 0.000 2.678 286 F HA 0.176 4.689 4.527 -0.023 0.000 0.305 286 F C 2.059 177.859 175.800 -0.001 0.000 1.090 286 F CA -0.874 57.128 58.000 0.003 0.000 1.272 286 F CB 0.363 39.369 39.000 0.010 0.000 1.060 286 F HN -0.046 nan 8.300 nan 0.000 0.576 287 Q N 1.505 121.404 119.800 0.165 0.000 2.096 287 Q HA -0.182 4.143 4.340 -0.024 0.000 0.208 287 Q C -0.517 175.524 176.000 0.068 0.000 0.993 287 Q CA 1.873 57.731 55.803 0.092 0.000 0.862 287 Q CB -1.607 27.164 28.738 0.054 0.000 0.915 287 Q HN 0.262 nan 8.270 nan 0.000 0.416 288 P HA -0.200 nan 4.420 nan 0.000 0.213 288 P C 1.624 178.939 177.300 0.026 0.000 1.176 288 P CA 1.298 64.424 63.100 0.044 0.000 0.919 288 P CB -0.366 31.363 31.700 0.049 0.000 0.791 289 L N -1.531 119.707 121.223 0.025 0.000 2.189 289 L HA -0.166 4.160 4.340 -0.024 0.000 0.214 289 L C 2.434 179.284 176.870 -0.033 0.000 1.097 289 L CA 0.970 55.793 54.840 -0.029 0.000 0.764 289 L CB -0.693 41.308 42.059 -0.097 0.000 0.900 289 L HN 0.001 nan 8.230 nan 0.000 0.436 290 L N -0.975 120.248 121.223 -0.001 0.000 2.509 290 L HA -0.046 4.279 4.340 -0.024 0.000 0.222 290 L C 1.771 178.638 176.870 -0.005 0.000 1.123 290 L CA 1.154 55.992 54.840 -0.004 0.000 0.856 290 L CB -0.847 41.227 42.059 0.024 0.000 0.985 290 L HN 0.245 nan 8.230 nan 0.000 0.456 291 D N -0.195 120.205 120.400 0.000 0.000 2.149 291 D HA -0.037 4.588 4.640 -0.024 0.000 0.206 291 D C 1.972 178.265 176.300 -0.012 0.000 0.967 291 D CA 1.133 55.131 54.000 -0.002 0.000 0.848 291 D CB -0.131 40.672 40.800 0.005 0.000 0.998 291 D HN 0.233 nan 8.370 nan 0.000 0.474 292 G N 0.109 108.900 108.800 -0.016 0.000 3.028 292 G HA2 0.053 3.998 3.960 -0.024 0.000 0.205 292 G HA3 0.053 3.998 3.960 -0.024 0.000 0.205 292 G C 0.912 175.792 174.900 -0.035 0.000 1.182 292 G CA 0.148 45.234 45.100 -0.023 0.000 0.860 292 G HN 0.226 nan 8.290 nan 0.000 0.507 293 L N -1.275 119.926 121.223 -0.037 0.000 3.298 293 L HA 0.312 4.637 4.340 -0.024 0.000 0.296 293 L C 1.203 178.049 176.870 -0.039 0.000 1.237 293 L CA -0.232 54.580 54.840 -0.047 0.000 1.038 293 L CB 0.508 42.527 42.059 -0.066 0.000 1.423 293 L HN -0.032 nan 8.230 nan 0.000 0.605 294 K N 0.156 120.539 120.400 -0.027 0.000 2.332 294 K HA 0.270 4.575 4.320 -0.024 0.000 0.246 294 K C 0.456 177.043 176.600 -0.022 0.000 1.066 294 K CA -0.327 55.947 56.287 -0.022 0.000 0.898 294 K CB 0.384 32.875 32.500 -0.014 0.000 1.192 294 K HN -0.080 nan 8.250 nan 0.000 0.509 295 S N 0.409 116.098 115.700 -0.018 0.000 2.546 295 S HA 0.118 4.573 4.470 -0.024 0.000 0.290 295 S C 0.496 175.088 174.600 -0.014 0.000 1.290 295 S CA 0.437 58.627 58.200 -0.017 0.000 1.069 295 S CB 0.329 63.521 63.200 -0.013 0.000 0.846 295 S HN 0.816 nan 8.310 nan 0.000 0.495 296 G N 3.050 111.841 108.800 -0.014 0.000 2.395 296 G HA2 -0.228 3.718 3.960 -0.024 0.000 0.292 296 G HA3 -0.228 3.718 3.960 -0.024 0.000 0.292 296 G C 0.218 175.112 174.900 -0.011 0.000 0.953 296 G CA 0.505 45.599 45.100 -0.012 0.000 1.207 296 G HN 1.040 nan 8.290 nan 0.000 0.503 297 T N -2.428 112.118 114.554 -0.013 0.000 2.948 297 T HA 0.705 5.040 4.350 -0.024 0.000 0.285 297 T C 0.839 175.532 174.700 -0.012 0.000 1.019 297 T CA 0.368 62.461 62.100 -0.012 0.000 1.013 297 T CB 1.740 70.600 68.868 -0.014 0.000 1.117 297 T HN 1.457 nan 8.240 nan 0.000 0.533 298 S N 0.887 116.582 115.700 -0.008 0.000 2.998 298 S HA -0.042 4.414 4.470 -0.024 0.000 0.348 298 S C 1.307 175.899 174.600 -0.012 0.000 1.210 298 S CA -0.576 57.620 58.200 -0.007 0.000 1.118 298 S CB -1.187 62.011 63.200 -0.002 0.000 0.832 298 S HN 0.566 nan 8.310 nan 0.000 0.516 299 I N 5.509 126.071 120.570 -0.012 0.000 2.335 299 I HA -0.149 4.006 4.170 -0.024 0.000 0.251 299 I C 2.459 178.566 176.117 -0.016 0.000 1.129 299 I CA 1.857 63.147 61.300 -0.016 0.000 1.402 299 I CB -0.625 37.367 38.000 -0.014 0.000 1.069 299 I HN 0.835 nan 8.210 nan 0.000 0.424 300 A N -0.534 122.279 122.820 -0.011 0.000 2.168 300 A HA -0.062 4.243 4.320 -0.024 0.000 0.215 300 A C 2.119 179.696 177.584 -0.012 0.000 1.152 300 A CA 0.960 52.991 52.037 -0.009 0.000 0.716 300 A CB -0.528 18.471 19.000 -0.002 0.000 0.794 300 A HN 0.405 nan 8.150 nan 0.000 0.465 301 L N -0.575 120.639 121.223 -0.015 0.000 2.168 301 L HA 0.140 4.466 4.340 -0.024 0.000 0.203 301 L C 1.686 178.536 176.870 -0.033 0.000 1.078 301 L CA 1.760 56.588 54.840 -0.021 0.000 0.780 301 L CB -0.384 41.665 42.059 -0.017 0.000 0.939 301 L HN 0.221 nan 8.230 nan 0.000 0.451 302 K N -0.852 119.526 120.400 -0.037 0.000 2.574 302 K HA 0.015 4.320 4.320 -0.024 0.000 0.193 302 K C 1.421 177.986 176.600 -0.059 0.000 1.035 302 K CA 0.701 56.957 56.287 -0.052 0.000 0.982 302 K CB 0.049 32.520 32.500 -0.049 0.000 0.795 302 K HN 0.283 nan 8.250 nan 0.000 0.491 303 V N -1.041 118.845 119.914 -0.046 0.000 3.379 303 V HA 0.043 4.148 4.120 -0.024 0.000 0.249 303 V C 2.025 178.093 176.094 -0.045 0.000 1.184 303 V CA 1.204 63.477 62.300 -0.045 0.000 1.106 303 V CB 0.585 32.391 31.823 -0.029 0.000 0.826 303 V HN 0.379 nan 8.190 nan 0.000 0.465 304 G N -1.078 107.699 108.800 -0.039 0.000 2.511 304 G HA2 -0.143 3.803 3.960 -0.024 0.000 0.217 304 G HA3 -0.143 3.803 3.960 -0.024 0.000 0.217 304 G C 1.503 176.372 174.900 -0.052 0.000 1.133 304 G CA 1.179 46.257 45.100 -0.036 0.000 0.792 304 G HN 0.494 nan 8.290 nan 0.000 0.539 305 C N -0.207 119.052 119.300 -0.068 0.000 2.587 305 C HA 0.112 4.557 4.460 -0.024 0.000 0.282 305 C C 2.580 177.493 174.990 -0.130 0.000 1.277 305 C CA 0.617 59.578 59.018 -0.094 0.000 1.702 305 C CB -0.882 26.800 27.740 -0.096 0.000 2.113 305 C HN 0.404 nan 8.230 nan 0.000 0.490 306 L N 1.392 122.526 121.223 -0.150 0.000 2.187 306 L HA -0.180 4.146 4.340 -0.024 0.000 0.213 306 L C 2.509 179.302 176.870 -0.128 0.000 1.100 306 L CA 1.889 56.609 54.840 -0.200 0.000 0.765 306 L CB -1.065 40.858 42.059 -0.226 0.000 0.904 306 L HN 0.505 nan 8.230 nan 0.000 0.437 307 Q N -1.057 118.694 119.800 -0.082 0.000 2.050 307 Q HA -0.249 4.076 4.340 -0.024 0.000 0.202 307 Q C 2.244 178.221 176.000 -0.040 0.000 0.980 307 Q CA 2.200 57.976 55.803 -0.045 0.000 0.840 307 Q CB -0.330 28.389 28.738 -0.032 0.000 0.898 307 Q HN 0.517 nan 8.270 nan 0.000 0.424 308 L N 0.573 121.764 121.223 -0.054 0.000 2.017 308 L HA -0.153 4.173 4.340 -0.024 0.000 0.208 308 L C 2.081 178.914 176.870 -0.061 0.000 1.073 308 L CA 1.596 56.407 54.840 -0.048 0.000 0.745 308 L CB -0.433 41.593 42.059 -0.054 0.000 0.894 308 L HN 0.383 nan 8.230 nan 0.000 0.432 309 I N -0.094 120.411 120.570 -0.109 0.000 2.091 309 I HA -0.391 3.765 4.170 -0.024 0.000 0.239 309 I C 2.152 178.272 176.117 0.004 0.000 1.061 309 I CA 1.640 62.871 61.300 -0.115 0.000 1.317 309 I CB -0.658 37.223 38.000 -0.198 0.000 1.031 309 I HN 0.385 nan 8.210 nan 0.000 0.401 310 N N 0.979 119.696 118.700 0.029 0.000 2.137 310 N HA -0.180 4.546 4.740 -0.024 0.000 0.190 310 N C 1.698 177.238 175.510 0.051 0.000 1.017 310 N CA 1.773 54.880 53.050 0.095 0.000 0.859 310 N CB -0.420 38.116 38.487 0.081 0.000 1.002 310 N HN 0.438 nan 8.380 nan 0.000 0.428 311 A N 0.002 122.834 122.820 0.019 0.000 2.123 311 A HA 0.138 4.443 4.320 -0.024 0.000 0.214 311 A C 2.228 179.818 177.584 0.010 0.000 1.152 311 A CA 0.283 52.325 52.037 0.009 0.000 0.728 311 A CB -0.271 18.730 19.000 0.003 0.000 0.814 311 A HN 0.187 nan 8.150 nan 0.000 0.464 312 L N -0.822 120.416 121.223 0.024 0.000 2.240 312 L HA -0.015 4.310 4.340 -0.024 0.000 0.211 312 L C 2.119 179.026 176.870 0.062 0.000 1.106 312 L CA 0.751 55.627 54.840 0.060 0.000 0.793 312 L CB -0.178 41.925 42.059 0.074 0.000 0.927 312 L HN 0.395 nan 8.230 nan 0.000 0.446 313 I N -1.638 118.965 120.570 0.054 0.000 2.726 313 I HA -0.130 4.025 4.170 -0.024 0.000 0.243 313 I C 2.353 178.446 176.117 -0.040 0.000 1.082 313 I CA 0.725 62.050 61.300 0.041 0.000 1.447 313 I CB -0.456 37.607 38.000 0.105 0.000 1.250 313 I HN -0.001 nan 8.210 nan 0.000 0.453 314 T N 1.679 116.227 114.554 -0.011 0.000 2.737 314 T HA -0.115 4.220 4.350 -0.024 0.000 0.269 314 T C -0.445 174.218 174.700 -0.061 0.000 1.040 314 T CA 1.672 63.757 62.100 -0.025 0.000 1.142 314 T CB -1.325 67.543 68.868 -0.000 0.000 0.861 314 T HN 0.249 nan 8.240 nan 0.000 0.456 315 P HA 0.156 nan 4.420 nan 0.000 0.219 315 P C 0.185 177.380 177.300 -0.175 0.000 1.150 315 P CA 0.593 63.630 63.100 -0.105 0.000 0.814 315 P CB -0.067 31.576 31.700 -0.094 0.000 0.787 316 A N 0.868 123.506 122.820 -0.304 0.000 2.396 316 A HA 0.152 4.457 4.320 -0.024 0.000 0.279 316 A C 1.224 178.654 177.584 -0.257 0.000 1.165 316 A CA -0.158 51.589 52.037 -0.483 0.000 0.824 316 A CB -0.101 18.157 19.000 -1.236 0.000 1.100 316 A HN 0.208 nan 8.150 nan 0.000 0.516 317 E N 2.401 122.507 120.200 -0.156 0.000 2.385 317 E HA -0.032 4.303 4.350 -0.024 0.000 0.194 317 E C 0.544 177.139 176.600 -0.008 0.000 1.013 317 E CA 0.662 57.025 56.400 -0.061 0.000 0.866 317 E CB 0.040 29.717 29.700 -0.038 0.000 0.832 317 E HN 0.700 nan 8.360 nan 0.000 0.500 318 E N 0.969 121.179 120.200 0.016 0.000 2.166 318 E HA 0.028 4.364 4.350 -0.024 0.000 0.279 318 E C 0.731 177.412 176.600 0.134 0.000 1.095 318 E CA -0.353 56.103 56.400 0.094 0.000 0.888 318 E CB 0.595 30.388 29.700 0.154 0.000 1.041 318 E HN 0.298 nan 8.360 nan 0.000 0.414 319 L N 5.638 126.921 121.223 0.101 0.000 2.103 319 L HA -0.271 4.055 4.340 -0.024 0.000 0.215 319 L C 1.311 178.267 176.870 0.144 0.000 1.080 319 L CA 2.068 56.970 54.840 0.104 0.000 0.764 319 L CB -0.257 41.846 42.059 0.074 0.000 0.890 319 L HN 0.664 nan 8.230 nan 0.000 0.435 320 D N -1.227 119.265 120.400 0.153 0.000 2.178 320 D HA -0.221 4.404 4.640 -0.024 0.000 0.202 320 D C 2.041 178.485 176.300 0.240 0.000 0.974 320 D CA 1.398 55.495 54.000 0.162 0.000 0.841 320 D CB -0.174 40.704 40.800 0.130 0.000 0.953 320 D HN 0.502 nan 8.370 nan 0.000 0.478 321 F N 1.799 121.810 119.950 0.102 0.000 2.102 321 F HA -0.201 4.313 4.527 -0.023 0.000 0.298 321 F C 2.452 178.314 175.800 0.102 0.000 1.105 321 F CA 1.330 59.384 58.000 0.090 0.000 1.239 321 F CB 0.196 39.225 39.000 0.049 0.000 0.991 321 F HN -0.169 nan 8.300 nan 0.000 0.474 322 R N -0.408 120.360 120.500 0.447 0.000 2.062 322 R HA -0.145 4.180 4.340 -0.024 0.000 0.231 322 R C 2.084 178.525 176.300 0.236 0.000 1.136 322 R CA 1.501 57.781 56.100 0.301 0.000 0.948 322 R CB -1.139 29.255 30.300 0.157 0.000 0.845 322 R HN 0.292 nan 8.270 nan 0.000 0.430 323 V N 1.223 121.251 119.914 0.191 0.000 2.759 323 V HA -0.241 3.864 4.120 -0.024 0.000 0.256 323 V C 2.044 178.245 176.094 0.178 0.000 1.080 323 V CA 1.818 64.207 62.300 0.148 0.000 1.101 323 V CB -0.462 31.423 31.823 0.103 0.000 0.698 323 V HN 0.401 nan 8.190 nan 0.000 0.477 324 H N -0.646 118.474 119.070 0.083 0.000 2.269 324 H HA -0.184 4.358 4.556 -0.024 0.000 0.299 324 H C 2.221 177.598 175.328 0.081 0.000 1.058 324 H CA 2.516 58.590 56.048 0.043 0.000 1.246 324 H CB -0.017 29.727 29.762 -0.030 0.000 1.376 324 H HN 0.359 nan 8.280 nan 0.000 0.503 325 I N 0.872 121.635 120.570 0.321 0.000 2.194 325 I HA -0.285 3.870 4.170 -0.024 0.000 0.246 325 I C 2.780 179.078 176.117 0.302 0.000 1.093 325 I CA 1.565 63.049 61.300 0.307 0.000 1.355 325 I CB -0.604 37.579 38.000 0.305 0.000 1.046 325 I HN 0.308 nan 8.210 nan 0.000 0.413 326 R N 0.198 120.845 120.500 0.244 0.000 2.094 326 R HA -0.204 4.122 4.340 -0.024 0.000 0.239 326 R C 2.369 178.780 176.300 0.186 0.000 1.137 326 R CA 2.276 58.501 56.100 0.207 0.000 0.943 326 R CB -0.314 30.071 30.300 0.141 0.000 0.850 326 R HN 0.307 nan 8.270 nan 0.000 0.433 327 S N 0.452 116.249 115.700 0.162 0.000 2.368 327 S HA -0.196 4.260 4.470 -0.024 0.000 0.225 327 S C 1.679 176.365 174.600 0.143 0.000 1.030 327 S CA 1.482 59.754 58.200 0.120 0.000 0.999 327 S CB -0.347 62.899 63.200 0.076 0.000 0.844 327 S HN 0.519 nan 8.310 nan 0.000 0.459 328 E N 1.635 121.959 120.200 0.208 0.000 2.086 328 E HA -0.213 4.123 4.350 -0.024 0.000 0.200 328 E C 1.778 178.528 176.600 0.250 0.000 1.012 328 E CA 1.406 57.942 56.400 0.228 0.000 0.812 328 E CB -0.514 29.370 29.700 0.307 0.000 0.743 328 E HN 0.497 nan 8.360 nan 0.000 0.453 329 L N -0.470 120.920 121.223 0.279 0.000 2.005 329 L HA -0.078 4.248 4.340 -0.024 0.000 0.207 329 L C 2.792 179.745 176.870 0.138 0.000 1.072 329 L CA 1.528 56.496 54.840 0.213 0.000 0.744 329 L CB -0.359 41.763 42.059 0.104 0.000 0.895 329 L HN 0.242 nan 8.230 nan 0.000 0.433 330 M N -0.621 119.056 119.600 0.127 0.000 2.706 330 M HA -0.147 4.318 4.480 -0.024 0.000 0.251 330 M C 2.024 178.375 176.300 0.085 0.000 1.070 330 M CA 1.327 56.691 55.300 0.107 0.000 1.073 330 M CB -0.104 32.560 32.600 0.105 0.000 1.449 330 M HN 0.075 nan 8.290 nan 0.000 0.531 331 R N -0.866 119.681 120.500 0.079 0.000 2.100 331 R HA 0.067 4.392 4.340 -0.024 0.000 0.220 331 R C 1.737 178.067 176.300 0.049 0.000 1.091 331 R CA 0.988 57.120 56.100 0.054 0.000 0.986 331 R CB -0.226 30.100 30.300 0.043 0.000 0.888 331 R HN 0.333 nan 8.270 nan 0.000 0.444 332 L N -0.474 120.787 121.223 0.062 0.000 2.376 332 L HA 0.130 4.456 4.340 -0.024 0.000 0.219 332 L C 0.898 177.793 176.870 0.042 0.000 1.133 332 L CA 0.907 55.779 54.840 0.052 0.000 0.816 332 L CB 0.117 42.218 42.059 0.070 0.000 0.933 332 L HN 0.510 nan 8.230 nan 0.000 0.449 333 G N -0.718 108.111 108.800 0.049 0.000 2.245 333 G HA2 -0.176 3.769 3.960 -0.024 0.000 0.116 333 G HA3 -0.176 3.769 3.960 -0.024 0.000 0.116 333 G C 0.305 175.227 174.900 0.036 0.000 1.054 333 G CA -0.107 45.019 45.100 0.043 0.000 0.728 333 G HN 0.075 nan 8.290 nan 0.000 0.483 334 L N 0.093 121.348 121.223 0.053 0.000 2.083 334 L HA 0.118 4.444 4.340 -0.024 0.000 0.209 334 L C 2.307 179.209 176.870 0.053 0.000 1.083 334 L CA 3.005 57.863 54.840 0.031 0.000 0.752 334 L CB -0.243 41.839 42.059 0.039 0.000 0.899 334 L HN 0.527 nan 8.230 nan 0.000 0.433 335 H N -1.748 117.330 119.070 0.015 0.000 2.470 335 H HA -0.112 4.429 4.556 -0.024 0.000 0.289 335 H C 2.171 177.503 175.328 0.007 0.000 1.033 335 H CA 1.422 57.480 56.048 0.016 0.000 1.331 335 H CB 0.169 29.943 29.762 0.020 0.000 1.414 335 H HN 0.379 nan 8.280 nan 0.000 0.545 336 Q N 0.610 120.392 119.800 -0.029 0.000 2.096 336 Q HA -0.108 4.217 4.340 -0.024 0.000 0.204 336 Q C 2.287 178.221 176.000 -0.111 0.000 0.982 336 Q CA 2.329 58.087 55.803 -0.075 0.000 0.850 336 Q CB -0.500 28.233 28.738 -0.009 0.000 0.901 336 Q HN 0.506 nan 8.270 nan 0.000 0.422 337 V N -2.292 117.571 119.914 -0.085 0.000 3.354 337 V HA 0.090 4.196 4.120 -0.024 0.000 0.258 337 V C 1.971 178.001 176.094 -0.107 0.000 1.159 337 V CA 0.801 63.050 62.300 -0.084 0.000 1.125 337 V CB -0.525 31.262 31.823 -0.061 0.000 0.774 337 V HN 0.268 nan 8.190 nan 0.000 0.464 338 L N 0.515 121.662 121.223 -0.127 0.000 2.450 338 L HA -0.047 4.279 4.340 -0.024 0.000 0.224 338 L C 2.510 179.304 176.870 -0.127 0.000 1.149 338 L CA 1.659 56.431 54.840 -0.113 0.000 0.816 338 L CB -0.550 41.484 42.059 -0.042 0.000 0.932 338 L HN 0.328 nan 8.230 nan 0.000 0.449 339 Q N -0.065 119.623 119.800 -0.186 0.000 1.994 339 Q HA -0.187 4.139 4.340 -0.024 0.000 0.198 339 Q C 2.047 177.998 176.000 -0.083 0.000 0.976 339 Q CA 2.069 57.784 55.803 -0.146 0.000 0.828 339 Q CB -0.317 28.317 28.738 -0.173 0.000 0.894 339 Q HN 0.645 nan 8.270 nan 0.000 0.432 340 E N 1.174 121.328 120.200 -0.077 0.000 2.110 340 E HA -0.174 4.161 4.350 -0.024 0.000 0.193 340 E C 1.828 178.400 176.600 -0.047 0.000 0.988 340 E CA 1.237 57.605 56.400 -0.053 0.000 0.804 340 E CB -0.323 29.348 29.700 -0.049 0.000 0.745 340 E HN 0.287 nan 8.360 nan 0.000 0.458 341 L N -0.116 121.074 121.223 -0.056 0.000 2.629 341 L HA 0.271 4.597 4.340 -0.024 0.000 0.230 341 L C 1.800 178.644 176.870 -0.043 0.000 1.151 341 L CA 0.209 55.018 54.840 -0.051 0.000 0.924 341 L CB 0.079 42.100 42.059 -0.064 0.000 1.137 341 L HN -0.113 nan 8.230 nan 0.000 0.457 342 R N -0.756 119.722 120.500 -0.037 0.000 2.140 342 R HA 0.138 4.464 4.340 -0.024 0.000 0.213 342 R C 1.568 177.859 176.300 -0.015 0.000 1.059 342 R CA 0.839 56.928 56.100 -0.019 0.000 1.000 342 R CB -0.585 29.709 30.300 -0.009 0.000 0.910 342 R HN 0.437 nan 8.270 nan 0.000 0.455 343 E N 1.223 121.411 120.200 -0.020 0.000 2.017 343 E HA -0.051 4.284 4.350 -0.024 0.000 0.193 343 E C 0.252 176.843 176.600 -0.014 0.000 0.997 343 E CA 0.770 57.160 56.400 -0.016 0.000 0.804 343 E CB -0.174 29.515 29.700 -0.018 0.000 0.757 343 E HN 0.229 nan 8.360 nan 0.000 0.448 344 I N 2.602 123.161 120.570 -0.018 0.000 3.015 344 I HA -0.173 3.982 4.170 -0.024 0.000 0.309 344 I C 0.727 176.837 176.117 -0.013 0.000 1.229 344 I CA 0.830 62.120 61.300 -0.016 0.000 1.430 344 I CB 0.204 38.193 38.000 -0.019 0.000 1.347 344 I HN 0.161 nan 8.210 nan 0.000 0.544 345 E N 5.237 125.432 120.200 -0.010 0.000 2.304 345 E HA 0.042 4.377 4.350 -0.024 0.000 0.212 345 E C 0.002 176.598 176.600 -0.007 0.000 1.185 345 E CA -0.293 56.102 56.400 -0.007 0.000 1.326 345 E CB -0.074 29.623 29.700 -0.005 0.000 1.283 345 E HN 0.534 nan 8.360 nan 0.000 0.440 346 N N 1.017 119.711 118.700 -0.009 0.000 2.416 346 N HA -0.070 4.655 4.740 -0.024 0.000 0.246 346 N C 0.881 176.387 175.510 -0.007 0.000 1.260 346 N CA 0.344 53.389 53.050 -0.009 0.000 0.897 346 N CB 0.745 39.225 38.487 -0.011 0.000 1.110 346 N HN 0.064 nan 8.380 nan 0.000 0.439 347 E N 0.342 120.539 120.200 -0.005 0.000 2.122 347 E HA -0.081 4.255 4.350 -0.024 0.000 0.190 347 E C 0.347 176.945 176.600 -0.003 0.000 0.977 347 E CA 0.681 57.079 56.400 -0.003 0.000 0.820 347 E CB 0.191 29.889 29.700 -0.003 0.000 0.770 347 E HN 0.607 nan 8.360 nan 0.000 0.462 348 D N 0.699 121.095 120.400 -0.005 0.000 2.183 348 D HA -0.075 4.551 4.640 -0.024 0.000 0.205 348 D C 1.896 178.190 176.300 -0.009 0.000 0.962 348 D CA 0.657 54.654 54.000 -0.006 0.000 0.849 348 D CB -0.039 40.757 40.800 -0.007 0.000 0.978 348 D HN 0.062 nan 8.370 nan 0.000 0.488 349 M N 1.294 120.886 119.600 -0.013 0.000 2.149 349 M HA -0.150 4.315 4.480 -0.024 0.000 0.261 349 M C 1.665 177.957 176.300 -0.013 0.000 1.064 349 M CA 1.575 56.862 55.300 -0.020 0.000 1.102 349 M CB -0.013 32.573 32.600 -0.023 0.000 1.369 349 M HN -0.222 nan 8.290 nan 0.000 0.408 350 K N -0.923 119.474 120.400 -0.005 0.000 2.025 350 K HA -0.082 4.223 4.320 -0.024 0.000 0.207 350 K C 1.710 178.317 176.600 0.012 0.000 1.049 350 K CA 1.697 57.987 56.287 0.004 0.000 0.933 350 K CB -0.345 32.157 32.500 0.004 0.000 0.714 350 K HN 0.292 nan 8.250 nan 0.000 0.438 351 V N 1.585 121.504 119.914 0.009 0.000 2.490 351 V HA -0.242 3.864 4.120 -0.024 0.000 0.250 351 V C 2.291 178.399 176.094 0.023 0.000 1.061 351 V CA 1.489 63.798 62.300 0.015 0.000 1.064 351 V CB -0.538 31.290 31.823 0.009 0.000 0.670 351 V HN 0.295 nan 8.190 nan 0.000 0.461 352 Q N 0.234 120.041 119.800 0.012 0.000 1.993 352 Q HA -0.089 4.236 4.340 -0.024 0.000 0.202 352 Q C 2.348 178.375 176.000 0.046 0.000 0.984 352 Q CA 1.677 57.487 55.803 0.012 0.000 0.837 352 Q CB -0.695 28.026 28.738 -0.028 0.000 0.902 352 Q HN 0.563 nan 8.270 nan 0.000 0.423 353 L N -0.224 121.018 121.223 0.032 0.000 2.081 353 L HA -0.256 4.069 4.340 -0.024 0.000 0.212 353 L C 2.739 179.687 176.870 0.129 0.000 1.080 353 L CA 0.943 55.832 54.840 0.081 0.000 0.754 353 L CB -0.589 41.496 42.059 0.043 0.000 0.893 353 L HN 0.258 nan 8.230 nan 0.000 0.433 354 C N -1.246 118.102 119.300 0.080 0.000 2.432 354 C HA -0.145 4.301 4.460 -0.024 0.000 0.277 354 C C 2.839 177.874 174.990 0.075 0.000 1.249 354 C CA 0.903 59.961 59.018 0.066 0.000 1.725 354 C CB -0.362 27.401 27.740 0.039 0.000 2.028 354 C HN 0.407 nan 8.230 nan 0.000 0.477 355 V N -0.339 119.626 119.914 0.085 0.000 2.809 355 V HA -0.098 4.008 4.120 -0.024 0.000 0.256 355 V C 1.806 177.972 176.094 0.120 0.000 1.080 355 V CA 1.542 63.889 62.300 0.078 0.000 1.102 355 V CB -0.634 31.226 31.823 0.063 0.000 0.705 355 V HN 0.581 nan 8.190 nan 0.000 0.475 356 F N 1.114 121.063 119.950 -0.002 0.000 2.163 356 F HA -0.069 4.443 4.527 -0.025 0.000 0.297 356 F C 2.103 177.907 175.800 0.007 0.000 1.094 356 F CA 1.927 59.927 58.000 -0.001 0.000 1.290 356 F CB -0.201 38.795 39.000 -0.007 0.000 1.017 356 F HN 0.255 nan 8.300 nan 0.000 0.483 357 D N 0.122 120.547 120.400 0.042 0.000 2.224 357 D HA -0.117 4.508 4.640 -0.024 0.000 0.205 357 D C 2.043 178.309 176.300 -0.057 0.000 0.965 357 D CA 0.992 54.965 54.000 -0.044 0.000 0.852 357 D CB -0.295 40.534 40.800 0.048 0.000 0.947 357 D HN 0.456 nan 8.370 nan 0.000 0.494 358 E N 0.153 120.338 120.200 -0.025 0.000 2.160 358 E HA -0.210 4.126 4.350 -0.024 0.000 0.195 358 E C 1.817 178.391 176.600 -0.043 0.000 0.991 358 E CA 0.917 57.303 56.400 -0.023 0.000 0.810 358 E CB 0.112 29.807 29.700 -0.007 0.000 0.742 358 E HN 0.075 nan 8.360 nan 0.000 0.466 359 Q N -0.646 119.102 119.800 -0.086 0.000 2.373 359 Q HA 0.075 4.400 4.340 -0.024 0.000 0.210 359 Q C 1.899 177.808 176.000 -0.152 0.000 0.913 359 Q CA 0.949 56.694 55.803 -0.096 0.000 0.911 359 Q CB 0.115 28.801 28.738 -0.087 0.000 1.040 359 Q HN 0.245 nan 8.270 nan 0.000 0.521 360 G N 0.434 109.056 108.800 -0.297 0.000 2.440 360 G HA2 -0.263 3.682 3.960 -0.024 0.000 0.218 360 G HA3 -0.263 3.682 3.960 -0.024 0.000 0.218 360 G C 0.895 175.759 174.900 -0.060 0.000 1.154 360 G CA 1.208 46.127 45.100 -0.301 0.000 0.767 360 G HN 0.327 nan 8.290 nan 0.000 0.552 361 D N -0.029 120.361 120.400 -0.016 0.000 2.120 361 D HA -0.026 4.599 4.640 -0.024 0.000 0.202 361 D C 2.224 178.633 176.300 0.181 0.000 0.972 361 D CA 0.720 54.779 54.000 0.098 0.000 0.837 361 D CB -0.347 40.481 40.800 0.048 0.000 0.989 361 D HN 0.413 nan 8.370 nan 0.000 0.469 362 E N 0.267 120.524 120.200 0.094 0.000 2.265 362 E HA -0.174 4.162 4.350 -0.024 0.000 0.196 362 E C 0.891 177.588 176.600 0.161 0.000 0.996 362 E CA 0.813 57.278 56.400 0.108 0.000 0.832 362 E CB 0.228 29.947 29.700 0.032 0.000 0.756 362 E HN 0.166 nan 8.360 nan 0.000 0.491 363 D N -0.152 120.326 120.400 0.130 0.000 2.091 363 D HA -0.143 4.483 4.640 -0.024 0.000 0.199 363 D C 1.557 177.958 176.300 0.168 0.000 0.980 363 D CA 0.640 54.715 54.000 0.124 0.000 0.831 363 D CB -0.527 40.321 40.800 0.081 0.000 0.987 363 D HN 0.175 nan 8.370 nan 0.000 0.460 364 F N 0.768 120.767 119.950 0.082 0.000 2.091 364 F HA -0.272 4.241 4.527 -0.024 0.000 0.299 364 F C 2.159 178.026 175.800 0.110 0.000 1.103 364 F CA 1.341 59.398 58.000 0.095 0.000 1.228 364 F CB -0.411 38.665 39.000 0.127 0.000 0.984 364 F HN -0.071 nan 8.300 nan 0.000 0.477 365 F N 1.296 121.354 119.950 0.181 0.000 2.069 365 F HA -0.272 4.240 4.527 -0.024 0.000 0.298 365 F C 2.394 178.164 175.800 -0.051 0.000 1.113 365 F CA 2.349 60.387 58.000 0.063 0.000 1.214 365 F CB -0.828 38.230 39.000 0.097 0.000 0.978 365 F HN -0.036 nan 8.300 nan 0.000 0.474 366 D N 0.274 120.763 120.400 0.149 0.000 2.144 366 D HA -0.171 4.455 4.640 -0.024 0.000 0.199 366 D C 2.187 178.419 176.300 -0.114 0.000 0.984 366 D CA 1.383 55.398 54.000 0.026 0.000 0.834 366 D CB -0.234 40.638 40.800 0.120 0.000 0.955 366 D HN 0.332 nan 8.370 nan 0.000 0.465 367 L N 0.855 121.997 121.223 -0.135 0.000 2.162 367 L HA -0.009 4.316 4.340 -0.024 0.000 0.205 367 L C 2.115 178.828 176.870 -0.263 0.000 1.086 367 L CA 1.287 56.031 54.840 -0.160 0.000 0.778 367 L CB -0.117 41.872 42.059 -0.116 0.000 0.928 367 L HN -0.214 nan 8.230 nan 0.000 0.446 368 K N -0.844 119.293 120.400 -0.440 0.000 2.155 368 K HA -0.070 4.236 4.320 -0.024 0.000 0.203 368 K C 1.914 178.310 176.600 -0.340 0.000 1.052 368 K CA 0.972 56.989 56.287 -0.450 0.000 0.948 368 K CB -0.328 31.776 32.500 -0.661 0.000 0.728 368 K HN 0.479 nan 8.250 nan 0.000 0.448 369 G N 0.763 109.324 108.800 -0.399 0.000 2.450 369 G HA2 -0.267 3.678 3.960 -0.024 0.000 0.220 369 G HA3 -0.267 3.678 3.960 -0.024 0.000 0.220 369 G C 1.577 176.352 174.900 -0.208 0.000 1.130 369 G CA 0.565 45.453 45.100 -0.353 0.000 0.760 369 G HN 0.259 nan 8.290 nan 0.000 0.557 370 R N -0.870 119.526 120.500 -0.173 0.000 2.093 370 R HA 0.156 4.482 4.340 -0.024 0.000 0.224 370 R C 2.394 178.637 176.300 -0.095 0.000 1.101 370 R CA 0.600 56.636 56.100 -0.106 0.000 0.979 370 R CB -0.309 29.945 30.300 -0.077 0.000 0.877 370 R HN 0.348 nan 8.270 nan 0.000 0.441 371 L N 0.924 122.076 121.223 -0.118 0.000 2.141 371 L HA -0.111 4.214 4.340 -0.024 0.000 0.209 371 L C 1.010 177.826 176.870 -0.090 0.000 1.094 371 L CA 1.883 56.666 54.840 -0.095 0.000 0.763 371 L CB -0.288 41.704 42.059 -0.111 0.000 0.908 371 L HN 0.086 nan 8.230 nan 0.000 0.437 372 D N -0.096 120.235 120.400 -0.114 0.000 2.144 372 D HA -0.178 4.448 4.640 -0.024 0.000 0.199 372 D C 1.781 178.037 176.300 -0.074 0.000 0.984 372 D CA 1.515 55.457 54.000 -0.098 0.000 0.834 372 D CB -0.095 40.633 40.800 -0.121 0.000 0.955 372 D HN 0.499 nan 8.370 nan 0.000 0.465 373 D N -0.039 120.318 120.400 -0.071 0.000 2.120 373 D HA -0.069 4.556 4.640 -0.024 0.000 0.202 373 D C 1.960 178.234 176.300 -0.043 0.000 0.972 373 D CA 0.318 54.286 54.000 -0.052 0.000 0.837 373 D CB -0.006 40.766 40.800 -0.047 0.000 0.989 373 D HN 0.140 nan 8.370 nan 0.000 0.469 374 I N 1.292 121.837 120.570 -0.042 0.000 2.908 374 I HA -0.203 3.952 4.170 -0.024 0.000 0.271 374 I C 2.229 178.326 176.117 -0.033 0.000 1.275 374 I CA 0.959 62.241 61.300 -0.030 0.000 1.446 374 I CB -0.180 37.807 38.000 -0.021 0.000 1.092 374 I HN -0.078 nan 8.210 nan 0.000 0.482 375 R N -1.440 119.034 120.500 -0.043 0.000 2.146 375 R HA 0.104 4.430 4.340 -0.024 0.000 0.206 375 R C 2.039 178.310 176.300 -0.049 0.000 1.049 375 R CA 0.593 56.665 56.100 -0.047 0.000 1.029 375 R CB -0.039 30.232 30.300 -0.050 0.000 0.949 375 R HN 0.178 nan 8.270 nan 0.000 0.471 376 M N 0.259 119.832 119.600 -0.045 0.000 2.200 376 M HA -0.033 4.432 4.480 -0.024 0.000 0.265 376 M C 1.506 177.782 176.300 -0.040 0.000 1.066 376 M CA 1.615 56.890 55.300 -0.042 0.000 1.127 376 M CB -0.392 32.186 32.600 -0.037 0.000 1.379 376 M HN -0.042 nan 8.290 nan 0.000 0.420 377 E N 0.035 120.214 120.200 -0.035 0.000 2.076 377 E HA 0.055 4.390 4.350 -0.024 0.000 0.190 377 E C 0.975 177.556 176.600 -0.031 0.000 0.979 377 E CA 0.628 57.011 56.400 -0.030 0.000 0.807 377 E CB 0.181 29.867 29.700 -0.023 0.000 0.761 377 E HN 0.330 nan 8.360 nan 0.000 0.454 378 M N 1.589 121.169 119.600 -0.033 0.000 2.325 378 M HA 0.153 4.618 4.480 -0.024 0.000 0.305 378 M C -1.386 174.879 176.300 -0.059 0.000 1.047 378 M CA -0.217 55.064 55.300 -0.033 0.000 0.981 378 M CB 0.705 33.300 32.600 -0.008 0.000 1.307 378 M HN -0.127 nan 8.290 nan 0.000 0.418 379 D N -0.152 120.196 120.400 -0.086 0.000 2.623 379 D HA 0.196 4.821 4.640 -0.024 0.000 0.252 379 D C -0.089 176.092 176.300 -0.198 0.000 1.294 379 D CA -0.145 53.777 54.000 -0.130 0.000 0.824 379 D CB 0.443 41.180 40.800 -0.106 0.000 1.070 379 D HN 0.494 nan 8.370 nan 0.000 0.487 380 D N -1.110 119.164 120.400 -0.211 0.000 2.318 380 D HA 0.264 4.889 4.640 -0.024 0.000 0.294 380 D C 0.819 176.943 176.300 -0.293 0.000 1.091 380 D CA 0.041 53.901 54.000 -0.234 0.000 0.883 380 D CB 0.608 41.330 40.800 -0.131 0.000 1.545 380 D HN 0.073 nan 8.370 nan 0.000 0.513 381 F N -1.322 118.426 119.950 -0.338 0.000 2.524 381 F HA -0.334 4.182 4.527 -0.019 0.000 0.668 381 F C 1.786 177.062 175.800 -0.874 0.000 0.491 381 F CA 0.443 57.996 58.000 -0.746 0.000 0.907 381 F CB -1.178 37.337 39.000 -0.807 0.000 1.737 381 F HN 0.182 nan 8.300 nan 0.000 0.263 382 G N -0.009 108.640 108.800 -0.251 0.000 2.433 382 G HA2 -0.197 3.749 3.960 -0.024 0.000 0.216 382 G HA3 -0.197 3.749 3.960 -0.024 0.000 0.216 382 G C 1.113 175.988 174.900 -0.041 0.000 1.186 382 G CA 1.420 46.458 45.100 -0.104 0.000 0.779 382 G HN 0.355 nan 8.290 nan 0.000 0.543 383 E N 0.445 120.612 120.200 -0.055 0.000 2.058 383 E HA -0.102 4.234 4.350 -0.024 0.000 0.194 383 E C 2.879 179.492 176.600 0.021 0.000 0.997 383 E CA 0.787 57.176 56.400 -0.018 0.000 0.801 383 E CB -0.927 28.750 29.700 -0.038 0.000 0.746 383 E HN 0.291 nan 8.360 nan 0.000 0.450 384 V N 1.236 121.164 119.914 0.022 0.000 2.223 384 V HA -0.246 3.859 4.120 -0.024 0.000 0.244 384 V C 2.236 178.459 176.094 0.215 0.000 1.045 384 V CA 1.825 64.195 62.300 0.117 0.000 1.000 384 V CB -0.670 31.266 31.823 0.189 0.000 0.635 384 V HN 0.091 nan 8.190 nan 0.000 0.445 385 F N 1.342 121.331 119.950 0.066 0.000 2.087 385 F HA -0.311 4.208 4.527 -0.013 0.000 0.299 385 F C 2.746 178.537 175.800 -0.015 0.000 1.100 385 F CA 1.989 59.995 58.000 0.009 0.000 1.226 385 F CB -1.527 37.479 39.000 0.010 0.000 0.983 385 F HN 0.432 nan 8.300 nan 0.000 0.479 386 Q N 0.151 120.073 119.800 0.203 0.000 2.226 386 Q HA -0.143 4.182 4.340 -0.024 0.000 0.204 386 Q C 1.869 177.896 176.000 0.046 0.000 0.975 386 Q CA 1.962 57.823 55.803 0.096 0.000 0.866 386 Q CB -0.706 28.073 28.738 0.068 0.000 0.915 386 Q HN 0.479 nan 8.270 nan 0.000 0.440 387 I N 0.167 120.765 120.570 0.046 0.000 2.400 387 I HA -0.119 4.036 4.170 -0.024 0.000 0.248 387 I C 2.188 178.277 176.117 -0.047 0.000 1.109 387 I CA 0.437 61.740 61.300 0.005 0.000 1.425 387 I CB -0.111 37.898 38.000 0.015 0.000 1.094 387 I HN 0.204 nan 8.210 nan 0.000 0.425 388 I N 0.820 121.361 120.570 -0.048 0.000 2.087 388 I HA -0.369 3.786 4.170 -0.024 0.000 0.240 388 I C 2.470 178.491 176.117 -0.160 0.000 1.054 388 I CA 1.908 63.099 61.300 -0.183 0.000 1.311 388 I CB -0.450 37.477 38.000 -0.121 0.000 1.024 388 I HN 0.210 nan 8.210 nan 0.000 0.402 389 L N 0.095 121.271 121.223 -0.079 0.000 2.017 389 L HA -0.217 4.109 4.340 -0.024 0.000 0.208 389 L C 2.331 179.165 176.870 -0.061 0.000 1.073 389 L CA 1.413 56.209 54.840 -0.073 0.000 0.745 389 L CB -0.771 41.263 42.059 -0.043 0.000 0.894 389 L HN 0.324 nan 8.230 nan 0.000 0.432 390 N N -0.709 117.966 118.700 -0.041 0.000 2.244 390 N HA -0.122 4.603 4.740 -0.024 0.000 0.183 390 N C 1.683 177.168 175.510 -0.041 0.000 1.016 390 N CA 2.062 55.092 53.050 -0.032 0.000 0.866 390 N CB 0.134 38.611 38.487 -0.016 0.000 0.980 390 N HN 0.507 nan 8.380 nan 0.000 0.430 391 T N -3.998 110.520 114.554 -0.061 0.000 2.954 391 T HA 0.207 4.543 4.350 -0.024 0.000 0.252 391 T C 1.702 176.352 174.700 -0.083 0.000 0.983 391 T CA -0.073 61.993 62.100 -0.057 0.000 0.941 391 T CB 0.098 68.939 68.868 -0.044 0.000 1.141 391 T HN -0.165 nan 8.240 nan 0.000 0.500 392 V N 1.063 120.890 119.914 -0.146 0.000 3.263 392 V HA 0.274 4.380 4.120 -0.024 0.000 0.248 392 V C 2.559 178.570 176.094 -0.138 0.000 1.145 392 V CA 0.769 62.955 62.300 -0.191 0.000 1.107 392 V CB 0.222 31.773 31.823 -0.453 0.000 0.797 392 V HN 0.393 nan 8.190 nan 0.000 0.467 393 K N 0.364 120.692 120.400 -0.121 0.000 2.026 393 K HA -0.184 4.122 4.320 -0.024 0.000 0.208 393 K C 1.293 177.854 176.600 -0.065 0.000 1.048 393 K CA 1.876 58.106 56.287 -0.094 0.000 0.929 393 K CB 0.006 32.456 32.500 -0.084 0.000 0.713 393 K HN 0.393 nan 8.250 nan 0.000 0.439 394 D N 0.601 120.970 120.400 -0.052 0.000 2.398 394 D HA 0.018 4.643 4.640 -0.024 0.000 0.210 394 D C -0.055 176.226 176.300 -0.032 0.000 1.094 394 D CA 0.082 54.059 54.000 -0.039 0.000 0.839 394 D CB 0.726 41.507 40.800 -0.032 0.000 0.963 394 D HN 0.231 nan 8.370 nan 0.000 0.506 395 S N 0.131 115.812 115.700 -0.033 0.000 2.603 395 S HA 0.166 4.622 4.470 -0.024 0.000 0.268 395 S C 1.296 175.886 174.600 -0.016 0.000 1.317 395 S CA -0.564 57.624 58.200 -0.019 0.000 1.012 395 S CB 2.256 65.447 63.200 -0.014 0.000 0.926 395 S HN -0.168 nan 8.310 nan 0.000 0.539 396 K N 0.860 121.258 120.400 -0.004 0.000 2.218 396 K HA -0.126 4.180 4.320 -0.024 0.000 0.205 396 K C 2.068 178.660 176.600 -0.012 0.000 1.046 396 K CA 1.360 57.644 56.287 -0.006 0.000 0.933 396 K CB -0.856 31.652 32.500 0.014 0.000 0.728 396 K HN 0.809 nan 8.250 nan 0.000 0.454 397 A N 0.901 123.735 122.820 0.023 0.000 2.067 397 A HA -0.126 4.179 4.320 -0.024 0.000 0.217 397 A C 1.962 179.565 177.584 0.031 0.000 1.156 397 A CA 0.953 53.039 52.037 0.082 0.000 0.683 397 A CB -0.243 18.835 19.000 0.131 0.000 0.808 397 A HN 0.396 nan 8.150 nan 0.000 0.455 398 E N 0.296 120.491 120.200 -0.009 0.000 2.136 398 E HA -0.241 4.094 4.350 -0.024 0.000 0.208 398 E C -0.840 175.752 176.600 -0.013 0.000 1.035 398 E CA 2.116 58.511 56.400 -0.008 0.000 0.838 398 E CB -0.790 28.886 29.700 -0.041 0.000 0.748 398 E HN 0.445 nan 8.360 nan 0.000 0.459 399 P HA -0.141 nan 4.420 nan 0.000 0.221 399 P C 0.716 177.956 177.300 -0.100 0.000 1.145 399 P CA 1.270 64.274 63.100 -0.161 0.000 0.795 399 P CB -0.060 31.472 31.700 -0.280 0.000 0.775 400 H N -2.261 116.861 119.070 0.087 0.000 2.329 400 H HA 0.058 4.604 4.556 -0.016 0.000 0.306 400 H C 1.916 177.311 175.328 0.112 0.000 1.062 400 H CA 0.795 56.892 56.048 0.081 0.000 1.364 400 H CB -1.220 28.578 29.762 0.060 0.000 1.409 400 H HN 0.133 nan 8.280 nan 0.000 0.519 401 F N 1.412 121.440 119.950 0.132 0.000 2.161 401 F HA -0.201 4.310 4.527 -0.028 0.000 0.300 401 F C 2.381 178.218 175.800 0.062 0.000 1.089 401 F CA 0.619 58.670 58.000 0.084 0.000 1.282 401 F CB -0.074 38.960 39.000 0.057 0.000 1.010 401 F HN 0.044 nan 8.300 nan 0.000 0.485 402 L N -0.741 120.666 121.223 0.306 0.000 2.131 402 L HA -0.171 4.155 4.340 -0.024 0.000 0.210 402 L C 2.390 179.328 176.870 0.113 0.000 1.092 402 L CA 2.099 57.048 54.840 0.180 0.000 0.759 402 L CB -1.115 40.997 42.059 0.089 0.000 0.903 402 L HN 0.151 nan 8.230 nan 0.000 0.435 403 S N -0.759 115.012 115.700 0.118 0.000 2.357 403 S HA -0.069 4.386 4.470 -0.024 0.000 0.221 403 S C 1.989 176.693 174.600 0.174 0.000 1.031 403 S CA 1.152 59.428 58.200 0.126 0.000 0.982 403 S CB -0.347 62.956 63.200 0.171 0.000 0.853 403 S HN 0.492 nan 8.310 nan 0.000 0.458 404 I N 1.825 122.449 120.570 0.089 0.000 2.074 404 I HA -0.301 3.854 4.170 -0.024 0.000 0.238 404 I C 2.271 178.411 176.117 0.038 0.000 1.037 404 I CA 1.628 62.929 61.300 0.001 0.000 1.301 404 I CB -0.639 37.211 38.000 -0.250 0.000 1.016 404 I HN 0.323 nan 8.210 nan 0.000 0.400 405 L N -0.109 121.122 121.223 0.012 0.000 1.990 405 L HA -0.308 4.018 4.340 -0.024 0.000 0.213 405 L C 2.714 179.624 176.870 0.067 0.000 1.072 405 L CA 1.695 56.575 54.840 0.067 0.000 0.755 405 L CB -0.840 41.291 42.059 0.120 0.000 0.889 405 L HN 0.351 nan 8.230 nan 0.000 0.432 406 Q N -0.934 118.885 119.800 0.032 0.000 2.152 406 Q HA -0.260 4.065 4.340 -0.024 0.000 0.206 406 Q C 2.102 178.058 176.000 -0.073 0.000 0.985 406 Q CA 1.981 57.758 55.803 -0.043 0.000 0.863 406 Q CB -0.222 28.451 28.738 -0.108 0.000 0.904 406 Q HN 0.609 nan 8.270 nan 0.000 0.422 407 H N -0.268 118.819 119.070 0.028 0.000 2.363 407 H HA -0.022 4.521 4.556 -0.022 0.000 0.301 407 H C 1.947 177.311 175.328 0.060 0.000 1.074 407 H CA 1.102 57.169 56.048 0.031 0.000 1.354 407 H CB 0.086 29.860 29.762 0.020 0.000 1.397 407 H HN 0.107 nan 8.280 nan 0.000 0.516 408 L N 0.033 121.379 121.223 0.204 0.000 2.127 408 L HA -0.173 4.152 4.340 -0.024 0.000 0.211 408 L C 0.955 177.981 176.870 0.261 0.000 1.089 408 L CA 0.977 55.959 54.840 0.236 0.000 0.757 408 L CB -0.166 42.023 42.059 0.217 0.000 0.899 408 L HN 0.264 nan 8.230 nan 0.000 0.434 409 L N -0.625 120.693 121.223 0.158 0.000 2.848 409 L HA 0.111 4.437 4.340 -0.024 0.000 0.240 409 L C 1.480 178.389 176.870 0.064 0.000 1.232 409 L CA -0.271 54.648 54.840 0.131 0.000 1.031 409 L CB 0.198 42.299 42.059 0.071 0.000 1.338 409 L HN 0.204 nan 8.230 nan 0.000 0.509 410 L N -0.932 120.314 121.223 0.038 0.000 2.168 410 L HA 0.058 4.384 4.340 -0.024 0.000 0.203 410 L C 0.956 177.788 176.870 -0.063 0.000 1.078 410 L CA 0.122 54.950 54.840 -0.019 0.000 0.780 410 L CB -0.021 42.027 42.059 -0.018 0.000 0.939 410 L HN 0.005 nan 8.230 nan 0.000 0.451 411 V N 2.581 122.415 119.914 -0.133 0.000 2.628 411 V HA -0.159 3.946 4.120 -0.024 0.000 0.282 411 V C 1.012 177.054 176.094 -0.086 0.000 0.968 411 V CA 0.440 62.580 62.300 -0.266 0.000 1.171 411 V CB -1.297 30.206 31.823 -0.533 0.000 0.899 411 V HN 0.314 nan 8.190 nan 0.000 0.462 412 R N 3.627 124.074 120.500 -0.088 0.000 2.817 412 R HA -0.051 4.275 4.340 -0.024 0.000 0.264 412 R C 1.561 177.892 176.300 0.052 0.000 1.009 412 R CA -0.041 56.050 56.100 -0.014 0.000 1.133 412 R CB 0.136 30.421 30.300 -0.026 0.000 1.013 412 R HN 0.700 nan 8.270 nan 0.000 0.453 413 N N 1.865 120.598 118.700 0.055 0.000 2.006 413 N HA -0.181 4.545 4.740 -0.024 0.000 0.196 413 N C 0.604 176.168 175.510 0.090 0.000 1.057 413 N CA 2.063 55.156 53.050 0.071 0.000 0.853 413 N CB -0.172 38.343 38.487 0.046 0.000 1.051 413 N HN 0.622 nan 8.380 nan 0.000 0.423 414 D N -1.299 119.149 120.400 0.080 0.000 2.338 414 D HA -0.168 4.458 4.640 -0.024 0.000 0.239 414 D C 0.022 176.392 176.300 0.118 0.000 1.095 414 D CA -0.226 53.820 54.000 0.076 0.000 0.888 414 D CB -0.928 39.905 40.800 0.055 0.000 0.899 414 D HN 0.332 nan 8.370 nan 0.000 0.525 415 Y N 2.362 122.662 120.300 -0.001 0.000 2.569 415 Y HA 0.019 4.554 4.550 -0.024 0.000 0.332 415 Y C 1.389 177.299 175.900 0.016 0.000 1.120 415 Y CA -0.558 57.538 58.100 -0.006 0.000 1.416 415 Y CB 0.796 39.230 38.460 -0.044 0.000 1.210 415 Y HN -0.142 nan 8.280 nan 0.000 0.528 416 E N 3.916 123.893 120.200 -0.372 0.000 2.204 416 E HA -0.113 4.223 4.350 -0.024 0.000 0.194 416 E C 1.076 177.399 176.600 -0.461 0.000 0.989 416 E CA 0.958 57.167 56.400 -0.318 0.000 0.824 416 E CB 0.137 29.727 29.700 -0.183 0.000 0.756 416 E HN 0.812 nan 8.360 nan 0.000 0.477 417 A N 0.515 122.730 122.820 -1.007 0.000 2.379 417 A HA 0.106 4.411 4.320 -0.024 0.000 0.236 417 A C 1.689 179.091 177.584 -0.304 0.000 1.272 417 A CA -0.164 51.508 52.037 -0.607 0.000 0.886 417 A CB -0.156 18.563 19.000 -0.469 0.000 0.962 417 A HN 0.092 nan 8.150 nan 0.000 0.504 418 R N 1.106 121.443 120.500 -0.272 0.000 2.112 418 R HA -0.165 4.160 4.340 -0.024 0.000 0.242 418 R C -0.720 175.757 176.300 0.294 0.000 1.137 418 R CA 2.579 58.775 56.100 0.161 0.000 0.944 418 R CB -1.024 29.395 30.300 0.197 0.000 0.857 418 R HN 0.412 nan 8.270 nan 0.000 0.435 419 P HA -0.179 nan 4.420 nan 0.000 0.215 419 P C 0.813 178.230 177.300 0.195 0.000 1.157 419 P CA 1.676 64.888 63.100 0.186 0.000 0.874 419 P CB -0.089 31.660 31.700 0.081 0.000 0.790 420 Q N -1.232 118.646 119.800 0.131 0.000 2.050 420 Q HA -0.189 4.136 4.340 -0.024 0.000 0.202 420 Q C 2.343 178.440 176.000 0.162 0.000 0.980 420 Q CA 1.387 57.257 55.803 0.113 0.000 0.840 420 Q CB -1.451 27.324 28.738 0.062 0.000 0.898 420 Q HN 0.262 nan 8.270 nan 0.000 0.424 421 Y N -0.297 120.046 120.300 0.072 0.000 2.151 421 Y HA -0.318 4.217 4.550 -0.024 0.000 0.284 421 Y C 1.575 177.468 175.900 -0.012 0.000 1.166 421 Y CA 1.624 59.744 58.100 0.033 0.000 1.163 421 Y CB -0.336 38.153 38.460 0.048 0.000 0.974 421 Y HN 0.180 nan 8.280 nan 0.000 0.511 422 Y N -0.021 120.496 120.300 0.362 0.000 2.395 422 Y HA -0.104 4.431 4.550 -0.026 0.000 0.293 422 Y C 2.572 178.542 175.900 0.117 0.000 1.123 422 Y CA 1.247 59.502 58.100 0.259 0.000 1.227 422 Y CB -0.129 38.460 38.460 0.216 0.000 1.012 422 Y HN 0.010 nan 8.280 nan 0.000 0.552 423 K N 0.645 121.177 120.400 0.219 0.000 2.148 423 K HA -0.148 4.158 4.320 -0.024 0.000 0.204 423 K C 1.634 178.269 176.600 0.058 0.000 1.050 423 K CA 1.046 57.403 56.287 0.116 0.000 0.942 423 K CB -0.217 32.331 32.500 0.081 0.000 0.724 423 K HN 0.381 nan 8.250 nan 0.000 0.446 424 L N 0.722 121.951 121.223 0.011 0.000 2.131 424 L HA -0.118 4.208 4.340 -0.024 0.000 0.206 424 L C 2.318 179.123 176.870 -0.107 0.000 1.087 424 L CA 0.481 55.273 54.840 -0.080 0.000 0.767 424 L CB -0.299 41.657 42.059 -0.171 0.000 0.917 424 L HN 0.131 nan 8.230 nan 0.000 0.441 425 I N -0.283 120.221 120.570 -0.110 0.000 2.353 425 I HA -0.190 3.965 4.170 -0.024 0.000 0.248 425 I C 2.568 178.709 176.117 0.040 0.000 1.119 425 I CA 1.026 62.296 61.300 -0.050 0.000 1.417 425 I CB -0.938 37.070 38.000 0.013 0.000 1.078 425 I HN 0.380 nan 8.210 nan 0.000 0.421 426 E N 1.613 121.867 120.200 0.090 0.000 2.085 426 E HA -0.281 4.054 4.350 -0.024 0.000 0.194 426 E C 1.954 178.583 176.600 0.047 0.000 0.994 426 E CA 1.646 58.098 56.400 0.087 0.000 0.801 426 E CB 0.102 29.862 29.700 0.101 0.000 0.743 426 E HN 0.514 nan 8.360 nan 0.000 0.453 427 E N -0.705 119.512 120.200 0.029 0.000 2.107 427 E HA -0.115 4.220 4.350 -0.024 0.000 0.191 427 E C 2.251 178.858 176.600 0.012 0.000 0.982 427 E CA 1.022 57.433 56.400 0.019 0.000 0.809 427 E CB -0.039 29.666 29.700 0.008 0.000 0.756 427 E HN 0.268 nan 8.360 nan 0.000 0.459 428 C N -0.602 118.696 119.300 -0.003 0.000 2.436 428 C HA -0.098 4.348 4.460 -0.024 0.000 0.277 428 C C 2.639 177.631 174.990 0.003 0.000 1.241 428 C CA 0.791 59.803 59.018 -0.009 0.000 1.721 428 C CB -0.724 26.996 27.740 -0.033 0.000 2.043 428 C HN 0.363 nan 8.230 nan 0.000 0.472 429 V N 0.073 119.994 119.914 0.010 0.000 2.427 429 V HA -0.157 3.948 4.120 -0.024 0.000 0.248 429 V C 2.633 178.740 176.094 0.021 0.000 1.051 429 V CA 2.528 64.835 62.300 0.012 0.000 1.048 429 V CB -0.566 31.268 31.823 0.018 0.000 0.666 429 V HN 0.656 nan 8.190 nan 0.000 0.456 430 S N -0.874 114.845 115.700 0.032 0.000 2.359 430 S HA -0.305 4.151 4.470 -0.024 0.000 0.224 430 S C 1.975 176.611 174.600 0.061 0.000 1.035 430 S CA 2.285 60.511 58.200 0.044 0.000 1.018 430 S CB -0.318 62.910 63.200 0.047 0.000 0.876 430 S HN 0.775 nan 8.310 nan 0.000 0.448 431 Q N 0.132 119.966 119.800 0.056 0.000 2.061 431 Q HA -0.109 4.217 4.340 -0.024 0.000 0.204 431 Q C 2.240 178.274 176.000 0.057 0.000 0.984 431 Q CA 1.923 57.766 55.803 0.067 0.000 0.846 431 Q CB -0.391 28.370 28.738 0.038 0.000 0.902 431 Q HN 0.630 nan 8.270 nan 0.000 0.421 432 I N 0.115 120.704 120.570 0.033 0.000 2.335 432 I HA -0.259 3.897 4.170 -0.024 0.000 0.251 432 I C 2.053 178.187 176.117 0.029 0.000 1.129 432 I CA 0.904 62.217 61.300 0.021 0.000 1.402 432 I CB -0.221 37.781 38.000 0.002 0.000 1.069 432 I HN 0.054 nan 8.210 nan 0.000 0.424 433 V N 0.010 119.946 119.914 0.036 0.000 2.599 433 V HA -0.067 4.038 4.120 -0.024 0.000 0.245 433 V C 1.951 178.082 176.094 0.061 0.000 1.046 433 V CA 1.095 63.415 62.300 0.033 0.000 1.065 433 V CB -0.036 31.798 31.823 0.018 0.000 0.703 433 V HN 0.291 nan 8.190 nan 0.000 0.464 434 L N -2.026 119.262 121.223 0.110 0.000 2.471 434 L HA 0.290 4.616 4.340 -0.024 0.000 0.186 434 L C 1.338 178.422 176.870 0.357 0.000 1.191 434 L CA 0.427 55.396 54.840 0.215 0.000 0.835 434 L CB -0.081 42.127 42.059 0.247 0.000 1.092 434 L HN 0.317 nan 8.230 nan 0.000 0.495 435 H N 0.000 119.183 119.070 0.189 0.000 2.539 435 H HA 0.000 4.541 4.556 -0.024 0.000 0.296 435 H CA 0.000 56.080 56.048 0.054 0.000 1.023 435 H CB 0.000 29.724 29.762 -0.064 0.000 1.292 435 H HN 0.000 nan 8.280 nan 0.000 0.496