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_A DATA FIRST_RESID 135 DATA SEQUENCE SAMMYIQELR SGLRDMHLLS CLESLRVSLN NNPVSWVQTF GAEGLASLLD DATA SEQUENCE ILKRLHDEKX XXXXXYDSRN 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 0.000 174.785 174.600 0.309 0.000 1.055 135 S CA 0.000 58.359 58.200 0.266 0.000 1.107 135 S CB 0.000 63.434 63.200 0.389 0.000 0.593 136 A N 2.046 124.908 122.820 0.071 0.000 1.897 136 A HA 0.241 4.560 4.320 -0.000 0.000 0.215 136 A C 2.258 179.901 177.584 0.099 0.000 1.181 136 A CA 1.905 53.857 52.037 -0.142 0.000 0.620 136 A CB -1.101 17.517 19.000 -0.638 0.000 0.821 136 A HN 0.527 nan 8.150 nan 0.000 0.443 137 M N -0.881 118.745 119.600 0.043 0.000 2.128 137 M HA -0.292 4.188 4.480 -0.000 0.000 0.253 137 M C 2.294 178.642 176.300 0.081 0.000 1.079 137 M CA 2.218 57.548 55.300 0.050 0.000 1.082 137 M CB -0.613 31.997 32.600 0.017 0.000 1.335 137 M HN 0.542 nan 8.290 nan 0.000 0.401 138 M N -0.869 118.771 119.600 0.067 0.000 2.143 138 M HA -0.285 4.195 4.480 -0.000 0.000 0.258 138 M C 1.852 178.106 176.300 -0.077 0.000 1.071 138 M CA 2.135 57.416 55.300 -0.031 0.000 1.088 138 M CB -0.373 32.168 32.600 -0.099 0.000 1.360 138 M HN 0.318 nan 8.290 nan 0.000 0.404 139 Y N -0.076 120.314 120.300 0.149 0.000 2.269 139 Y HA -0.069 4.480 4.550 -0.001 0.000 0.294 139 Y C 2.207 178.230 175.900 0.205 0.000 1.120 139 Y CA 1.289 59.501 58.100 0.188 0.000 1.159 139 Y CB -0.288 38.300 38.460 0.213 0.000 1.024 139 Y HN 0.194 nan 8.280 nan 0.000 0.532 140 I N -0.005 120.767 120.570 0.337 0.000 2.194 140 I HA -0.359 3.811 4.170 -0.000 0.000 0.246 140 I C 2.054 178.213 176.117 0.070 0.000 1.093 140 I CA 1.240 62.614 61.300 0.124 0.000 1.355 140 I CB -0.523 37.456 38.000 -0.036 0.000 1.046 140 I HN 0.297 nan 8.210 nan 0.000 0.413 141 Q N 0.586 120.421 119.800 0.057 0.000 2.167 141 Q HA -0.150 4.189 4.340 -0.000 0.000 0.202 141 Q C 1.981 178.003 176.000 0.037 0.000 0.970 141 Q CA 1.094 56.913 55.803 0.027 0.000 0.855 141 Q CB -0.500 28.243 28.738 0.009 0.000 0.911 141 Q HN 0.539 nan 8.270 nan 0.000 0.438 142 E N 0.834 121.071 120.200 0.060 0.000 2.106 142 E HA -0.066 4.283 4.350 -0.000 0.000 0.192 142 E C 2.238 178.888 176.600 0.082 0.000 0.984 142 E CA 0.590 57.026 56.400 0.061 0.000 0.806 142 E CB -0.051 29.687 29.700 0.065 0.000 0.750 142 E HN 0.370 nan 8.360 nan 0.000 0.458 143 L N -0.042 121.245 121.223 0.108 0.000 2.072 143 L HA -0.065 4.274 4.340 -0.000 0.000 0.205 143 L C 2.544 179.443 176.870 0.048 0.000 1.079 143 L CA 1.006 55.900 54.840 0.089 0.000 0.752 143 L CB -0.369 41.755 42.059 0.107 0.000 0.906 143 L HN -0.070 nan 8.230 nan 0.000 0.436 144 R N 0.341 120.860 120.500 0.032 0.000 2.148 144 R HA -0.064 4.276 4.340 -0.000 0.000 0.227 144 R C 1.710 178.016 176.300 0.011 0.000 1.103 144 R CA 1.281 57.389 56.100 0.013 0.000 0.983 144 R CB -0.423 29.878 30.300 0.001 0.000 0.874 144 R HN 0.413 nan 8.270 nan 0.000 0.451 145 S N 0.399 116.108 115.700 0.015 0.000 3.033 145 S HA 0.153 4.622 4.470 -0.000 0.000 0.258 145 S C 0.952 175.554 174.600 0.004 0.000 1.207 145 S CA 0.064 58.268 58.200 0.006 0.000 1.248 145 S CB -0.019 63.184 63.200 0.005 0.000 0.932 145 S HN 0.469 nan 8.310 nan 0.000 0.472 146 G N 1.443 110.247 108.800 0.006 0.000 2.390 146 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.299 146 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.299 146 G C 0.063 174.961 174.900 -0.003 0.000 1.002 146 G CA 0.317 45.418 45.100 0.001 0.000 0.979 146 G HN 0.634 nan 8.290 nan 0.000 0.513 147 L N -1.586 119.645 121.223 0.014 0.000 2.461 147 L HA 0.554 4.894 4.340 -0.000 0.000 0.259 147 L C 1.231 178.113 176.870 0.020 0.000 1.248 147 L CA 0.001 54.853 54.840 0.020 0.000 0.823 147 L CB 0.450 42.542 42.059 0.056 0.000 1.111 147 L HN 0.447 nan 8.230 nan 0.000 0.516 148 R N -0.576 119.943 120.500 0.032 0.000 2.781 148 R HA 0.165 4.505 4.340 -0.000 0.000 0.268 148 R C -1.568 174.779 176.300 0.078 0.000 1.047 148 R CA -0.847 55.272 56.100 0.031 0.000 0.925 148 R CB 1.304 31.595 30.300 -0.016 0.000 1.246 148 R HN 0.797 nan 8.270 nan 0.000 0.456 149 D N 1.821 122.256 120.400 0.059 0.000 2.648 149 D HA -0.138 4.502 4.640 -0.000 0.000 0.229 149 D C 1.011 177.377 176.300 0.109 0.000 1.119 149 D CA 0.869 54.908 54.000 0.064 0.000 0.850 149 D CB 0.748 41.545 40.800 -0.005 0.000 1.169 149 D HN 0.749 nan 8.370 nan 0.000 0.489 150 M N 0.995 120.641 119.600 0.077 0.000 2.832 150 M HA -0.394 4.086 4.480 -0.000 0.000 0.151 150 M C 0.929 177.231 176.300 0.003 0.000 0.691 150 M CA 2.291 57.606 55.300 0.025 0.000 0.581 150 M CB -1.131 31.459 32.600 -0.016 0.000 2.120 150 M HN 0.662 nan 8.290 nan 0.000 0.260 151 H N 0.526 119.601 119.070 0.008 0.000 2.421 151 H HA 0.051 4.606 4.556 -0.000 0.000 0.298 151 H C 1.697 177.041 175.328 0.027 0.000 1.087 151 H CA 1.917 57.973 56.048 0.014 0.000 1.330 151 H CB -0.122 29.645 29.762 0.008 0.000 1.388 151 H HN 0.465 nan 8.280 nan 0.000 0.526 152 L N -0.289 121.028 121.223 0.155 0.000 2.023 152 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 152 L C 2.198 179.120 176.870 0.087 0.000 1.073 152 L CA 0.948 55.853 54.840 0.108 0.000 0.745 152 L CB -0.376 41.736 42.059 0.089 0.000 0.900 152 L HN 0.302 nan 8.230 nan 0.000 0.435 153 L N -0.629 120.636 121.223 0.069 0.000 1.991 153 L HA -0.389 3.951 4.340 -0.000 0.000 0.221 153 L C 2.855 179.749 176.870 0.041 0.000 1.079 153 L CA 2.062 56.931 54.840 0.048 0.000 0.778 153 L CB -0.411 41.668 42.059 0.034 0.000 0.893 153 L HN 0.417 nan 8.230 nan 0.000 0.437 154 S N -1.136 114.581 115.700 0.028 0.000 2.369 154 S HA -0.358 4.112 4.470 -0.000 0.000 0.225 154 S C 2.244 176.882 174.600 0.063 0.000 1.043 154 S CA 1.929 60.144 58.200 0.025 0.000 1.074 154 S CB -0.975 62.224 63.200 -0.002 0.000 0.962 154 S HN 0.728 nan 8.310 nan 0.000 0.433 155 C N 0.995 120.351 119.300 0.092 0.000 2.403 155 C HA -0.001 4.459 4.460 -0.000 0.000 0.277 155 C C 2.589 177.680 174.990 0.168 0.000 1.248 155 C CA 1.157 60.266 59.018 0.152 0.000 1.762 155 C CB -1.828 26.003 27.740 0.152 0.000 2.014 155 C HN 0.718 nan 8.230 nan 0.000 0.486 156 L N 0.315 121.602 121.223 0.106 0.000 2.056 156 L HA -0.099 4.240 4.340 -0.000 0.000 0.207 156 L C 2.741 179.629 176.870 0.029 0.000 1.078 156 L CA 1.843 56.724 54.840 0.069 0.000 0.749 156 L CB -0.681 41.415 42.059 0.062 0.000 0.901 156 L HN 0.432 nan 8.230 nan 0.000 0.433 157 E N -0.561 119.656 120.200 0.028 0.000 2.023 157 E HA -0.278 4.071 4.350 -0.000 0.000 0.196 157 E C 2.269 178.867 176.600 -0.004 0.000 1.003 157 E CA 1.689 58.091 56.400 0.003 0.000 0.809 157 E CB -0.274 29.427 29.700 0.001 0.000 0.755 157 E HN 0.292 nan 8.360 nan 0.000 0.449 158 S N 0.683 116.405 115.700 0.037 0.000 2.387 158 S HA -0.192 4.278 4.470 -0.000 0.000 0.230 158 S C 2.025 176.600 174.600 -0.041 0.000 1.035 158 S CA 1.197 59.429 58.200 0.055 0.000 1.014 158 S CB -0.213 63.090 63.200 0.172 0.000 0.836 158 S HN 0.242 nan 8.310 nan 0.000 0.466 159 L N 2.145 123.298 121.223 -0.118 0.000 2.017 159 L HA 0.020 4.359 4.340 -0.000 0.000 0.208 159 L C 2.465 179.147 176.870 -0.314 0.000 1.073 159 L CA 2.284 56.839 54.840 -0.475 0.000 0.745 159 L CB -0.957 40.892 42.059 -0.350 0.000 0.894 159 L HN 0.324 nan 8.230 nan 0.000 0.432 160 R N -0.167 120.240 120.500 -0.154 0.000 2.097 160 R HA -0.192 4.148 4.340 -0.000 0.000 0.236 160 R C 2.312 178.549 176.300 -0.104 0.000 1.135 160 R CA 2.881 58.924 56.100 -0.095 0.000 0.934 160 R CB -0.841 29.433 30.300 -0.042 0.000 0.846 160 R HN 0.508 nan 8.270 nan 0.000 0.431 161 V N -0.825 119.030 119.914 -0.098 0.000 2.469 161 V HA -0.162 3.958 4.120 -0.000 0.000 0.251 161 V C 1.937 177.941 176.094 -0.149 0.000 1.064 161 V CA 2.303 64.546 62.300 -0.096 0.000 1.066 161 V CB -0.451 31.330 31.823 -0.069 0.000 0.667 161 V HN 0.305 nan 8.190 nan 0.000 0.461 162 S N 0.568 116.141 115.700 -0.212 0.000 2.371 162 S HA 0.051 4.520 4.470 -0.000 0.000 0.224 162 S C 1.819 176.183 174.600 -0.393 0.000 1.029 162 S CA 1.766 59.751 58.200 -0.359 0.000 0.978 162 S CB -0.442 62.511 63.200 -0.413 0.000 0.833 162 S HN 0.595 nan 8.310 nan 0.000 0.466 163 L N 2.007 123.111 121.223 -0.199 0.000 1.970 163 L HA -0.180 4.159 4.340 -0.000 0.000 0.212 163 L C 2.407 179.257 176.870 -0.032 0.000 1.071 163 L CA 1.153 55.981 54.840 -0.020 0.000 0.751 163 L CB -0.668 41.391 42.059 -0.000 0.000 0.889 163 L HN 0.281 nan 8.230 nan 0.000 0.432 164 N N 0.182 118.850 118.700 -0.052 0.000 2.061 164 N HA -0.174 4.566 4.740 -0.000 0.000 0.193 164 N C 0.809 176.277 175.510 -0.070 0.000 1.030 164 N CA 1.258 54.282 53.050 -0.042 0.000 0.856 164 N CB -0.486 37.977 38.487 -0.040 0.000 1.023 164 N HN 0.359 nan 8.380 nan 0.000 0.424 165 N N 1.511 120.138 118.700 -0.121 0.000 2.802 165 N HA 0.135 4.875 4.740 -0.000 0.000 0.288 165 N C -0.819 174.574 175.510 -0.196 0.000 1.268 165 N CA 0.121 53.090 53.050 -0.136 0.000 1.035 165 N CB -0.094 38.314 38.487 -0.131 0.000 1.353 165 N HN 0.322 nan 8.380 nan 0.000 0.522 166 N N -0.167 118.432 118.700 -0.169 0.000 2.774 166 N HA 0.424 5.163 4.740 -0.000 0.000 0.264 166 N C -2.257 173.225 175.510 -0.048 0.000 1.415 166 N CA -1.103 51.834 53.050 -0.188 0.000 0.815 166 N CB 2.318 40.618 38.487 -0.311 0.000 1.514 166 N HN -0.015 nan 8.380 nan 0.000 0.523 167 P HA 0.088 nan 4.420 nan 0.000 0.318 167 P C 0.389 177.732 177.300 0.071 0.000 1.309 167 P CA -0.246 62.876 63.100 0.036 0.000 0.736 167 P CB 0.574 32.303 31.700 0.048 0.000 1.440 168 V N -0.286 119.657 119.914 0.047 0.000 2.725 168 V HA -0.111 4.008 4.120 -0.000 0.000 0.247 168 V C 2.547 178.628 176.094 -0.021 0.000 1.058 168 V CA 2.120 64.432 62.300 0.021 0.000 1.080 168 V CB -1.023 30.806 31.823 0.010 0.000 0.713 168 V HN 0.729 nan 8.190 nan 0.000 0.465 169 S N -1.363 114.344 115.700 0.011 0.000 2.402 169 S HA -0.258 4.212 4.470 -0.000 0.000 0.229 169 S C 1.721 176.329 174.600 0.014 0.000 1.021 169 S CA 1.389 59.578 58.200 -0.019 0.000 0.974 169 S CB -0.907 62.305 63.200 0.020 0.000 0.800 169 S HN 0.784 nan 8.310 nan 0.000 0.484 170 W N 2.368 123.630 121.300 -0.063 0.000 2.402 170 W HA 0.001 4.661 4.660 -0.000 0.000 0.286 170 W C 1.879 178.381 176.519 -0.028 0.000 1.221 170 W CA 1.104 58.429 57.345 -0.032 0.000 1.257 170 W CB -0.127 29.320 29.460 -0.022 0.000 1.120 170 W HN 0.143 nan 8.180 nan 0.000 0.551 171 V N 0.384 120.373 119.914 0.125 0.000 2.453 171 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 171 V C 2.126 178.128 176.094 -0.153 0.000 1.048 171 V CA 2.075 64.419 62.300 0.073 0.000 1.049 171 V CB -1.115 30.793 31.823 0.142 0.000 0.672 171 V HN 0.219 nan 8.190 nan 0.000 0.457 172 Q N 0.880 120.382 119.800 -0.496 0.000 2.096 172 Q HA -0.205 4.134 4.340 -0.000 0.000 0.204 172 Q C 2.378 178.227 176.000 -0.252 0.000 0.982 172 Q CA 2.273 57.586 55.803 -0.817 0.000 0.850 172 Q CB -0.591 27.730 28.738 -0.696 0.000 0.901 172 Q HN 0.832 nan 8.270 nan 0.000 0.422 173 T N -0.811 113.608 114.554 -0.224 0.000 2.881 173 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 173 T C 1.435 176.047 174.700 -0.146 0.000 1.068 173 T CA 0.789 62.777 62.100 -0.187 0.000 1.131 173 T CB -0.322 68.381 68.868 -0.275 0.000 0.871 173 T HN 0.165 nan 8.240 nan 0.000 0.479 174 F N 2.613 122.352 119.950 -0.352 0.000 2.259 174 F HA 0.287 4.813 4.527 -0.000 0.000 0.298 174 F C 1.869 177.600 175.800 -0.115 0.000 1.088 174 F CA 0.151 57.984 58.000 -0.278 0.000 1.358 174 F CB -0.941 37.858 39.000 -0.335 0.000 1.040 174 F HN 0.436 nan 8.300 nan 0.000 0.505 175 G N 0.518 109.387 108.800 0.114 0.000 2.568 175 G HA2 -0.385 3.574 3.960 -0.000 0.000 0.334 175 G HA3 -0.385 3.574 3.960 -0.000 0.000 0.334 175 G C 1.282 176.237 174.900 0.093 0.000 1.348 175 G CA 0.933 46.200 45.100 0.278 0.000 0.949 175 G HN 0.832 nan 8.290 nan 0.000 0.532 176 A N -1.397 121.459 122.820 0.060 0.000 1.929 176 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 176 A C 2.211 179.700 177.584 -0.159 0.000 1.176 176 A CA 2.322 54.341 52.037 -0.030 0.000 0.628 176 A CB -0.501 18.493 19.000 -0.009 0.000 0.816 176 A HN 0.785 nan 8.150 nan 0.000 0.444 177 E N 0.206 120.293 120.200 -0.189 0.000 2.058 177 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 177 E C 2.036 178.398 176.600 -0.397 0.000 0.997 177 E CA 1.387 57.648 56.400 -0.231 0.000 0.801 177 E CB -0.809 28.776 29.700 -0.192 0.000 0.746 177 E HN 0.514 nan 8.360 nan 0.000 0.450 178 G N 1.060 109.410 108.800 -0.750 0.000 2.404 178 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.214 178 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.214 178 G C 1.513 175.832 174.900 -0.969 0.000 1.189 178 G CA 0.543 44.774 45.100 -1.448 0.000 0.789 178 G HN 0.213 nan 8.290 nan 0.000 0.533 179 L N 0.738 121.502 121.223 -0.765 0.000 2.021 179 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 179 L C 3.212 179.958 176.870 -0.207 0.000 1.074 179 L CA 2.012 56.605 54.840 -0.412 0.000 0.760 179 L CB -0.533 41.306 42.059 -0.366 0.000 0.889 179 L HN 0.330 nan 8.230 nan 0.000 0.433 180 A N 0.241 122.942 122.820 -0.199 0.000 1.863 180 A HA -0.343 3.977 4.320 -0.000 0.000 0.218 180 A C 2.372 179.907 177.584 -0.081 0.000 1.233 180 A CA 3.127 55.098 52.037 -0.111 0.000 0.655 180 A CB -1.309 17.624 19.000 -0.113 0.000 0.839 180 A HN 0.689 nan 8.150 nan 0.000 0.454 181 S N 0.295 115.931 115.700 -0.106 0.000 2.392 181 S HA -0.197 4.272 4.470 -0.000 0.000 0.232 181 S C 1.815 176.413 174.600 -0.004 0.000 1.041 181 S CA 1.687 59.857 58.200 -0.050 0.000 1.026 181 S CB -0.833 62.334 63.200 -0.055 0.000 0.845 181 S HN 0.446 nan 8.310 nan 0.000 0.465 182 L N 0.638 121.862 121.223 0.002 0.000 2.042 182 L HA -0.082 4.257 4.340 -0.000 0.000 0.210 182 L C 2.533 179.428 176.870 0.040 0.000 1.076 182 L CA 1.301 56.167 54.840 0.045 0.000 0.749 182 L CB -0.589 41.508 42.059 0.063 0.000 0.893 182 L HN 0.323 nan 8.230 nan 0.000 0.432 183 L N -0.830 120.410 121.223 0.028 0.000 2.109 183 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 183 L C 2.063 178.960 176.870 0.044 0.000 1.086 183 L CA 0.891 55.758 54.840 0.045 0.000 0.760 183 L CB -0.642 41.441 42.059 0.040 0.000 0.910 183 L HN 0.217 nan 8.230 nan 0.000 0.437 184 D N 0.666 121.081 120.400 0.026 0.000 2.123 184 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 184 D C 2.179 178.499 176.300 0.033 0.000 0.992 184 D CA 1.447 55.462 54.000 0.025 0.000 0.833 184 D CB -0.183 40.624 40.800 0.011 0.000 0.954 184 D HN 0.274 nan 8.370 nan 0.000 0.455 185 I N 0.065 120.653 120.570 0.031 0.000 2.252 185 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 185 I C 2.354 178.480 176.117 0.017 0.000 1.102 185 I CA 0.483 61.800 61.300 0.028 0.000 1.385 185 I CB -0.156 37.864 38.000 0.034 0.000 1.064 185 I HN 0.029 nan 8.210 nan 0.000 0.414 186 L N 1.198 122.434 121.223 0.023 0.000 1.944 186 L HA -0.313 4.027 4.340 -0.000 0.000 0.218 186 L C 2.861 179.766 176.870 0.057 0.000 1.075 186 L CA 2.265 57.104 54.840 -0.002 0.000 0.767 186 L CB -0.601 41.502 42.059 0.073 0.000 0.890 186 L HN 0.322 nan 8.230 nan 0.000 0.434 187 K N -0.114 120.391 120.400 0.176 0.000 2.044 187 K HA -0.298 4.022 4.320 -0.000 0.000 0.210 187 K C 2.182 178.864 176.600 0.137 0.000 1.049 187 K CA 1.991 58.409 56.287 0.218 0.000 0.927 187 K CB -0.612 31.960 32.500 0.121 0.000 0.713 187 K HN 0.201 nan 8.250 nan 0.000 0.443 188 R N 0.352 120.897 120.500 0.075 0.000 2.117 188 R HA -0.131 4.209 4.340 -0.000 0.000 0.243 188 R C 2.148 178.473 176.300 0.042 0.000 1.143 188 R CA 1.242 57.372 56.100 0.051 0.000 0.968 188 R CB -0.145 30.177 30.300 0.035 0.000 0.863 188 R HN 0.279 nan 8.270 nan 0.000 0.444 189 L N -0.040 121.188 121.223 0.009 0.000 2.209 189 L HA -0.003 4.336 4.340 -0.000 0.000 0.207 189 L C 1.529 178.373 176.870 -0.044 0.000 1.094 189 L CA 1.717 56.537 54.840 -0.033 0.000 0.790 189 L CB -0.718 41.288 42.059 -0.089 0.000 0.932 189 L HN 0.231 nan 8.230 nan 0.000 0.447 190 H N -0.599 118.487 119.070 0.026 0.000 2.293 190 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 190 H C 1.742 177.080 175.328 0.017 0.000 1.082 190 H CA 1.542 57.600 56.048 0.018 0.000 1.308 190 H CB 0.169 29.939 29.762 0.014 0.000 1.375 190 H HN 0.246 nan 8.280 nan 0.000 0.495 191 D N 0.886 121.376 120.400 0.150 0.000 2.191 191 D HA -0.157 4.483 4.640 -0.000 0.000 0.190 191 D C 0.518 176.858 176.300 0.066 0.000 1.007 191 D CA 1.200 55.250 54.000 0.085 0.000 0.865 191 D CB -0.304 40.534 40.800 0.064 0.000 0.929 191 D HN 0.413 nan 8.370 nan 0.000 0.447 192 E N 1.315 121.552 120.200 0.061 0.000 2.413 192 E HA 0.114 4.463 4.350 -0.000 0.000 0.263 192 E C 0.830 177.459 176.600 0.047 0.000 1.015 192 E CA 0.363 56.795 56.400 0.054 0.000 0.916 192 E CB 0.986 30.722 29.700 0.060 0.000 0.947 192 E HN 0.230 nan 8.360 nan 0.000 0.440 201 D N 0.619 121.161 120.400 0.237 0.000 2.957 201 D HA 0.407 5.047 4.640 -0.000 0.000 0.352 201 D C 0.682 177.025 176.300 0.071 0.000 1.352 201 D CA 0.303 54.425 54.000 0.203 0.000 0.831 201 D CB 0.858 41.846 40.800 0.313 0.000 1.147 201 D HN 0.252 nan 8.370 nan 0.000 0.467 202 S N -0.169 115.545 115.700 0.023 0.000 2.414 202 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 202 S C 1.909 176.555 174.600 0.077 0.000 1.022 202 S CA 0.545 58.760 58.200 0.025 0.000 0.958 202 S CB 0.128 63.336 63.200 0.014 0.000 0.797 202 S HN 0.356 nan 8.310 nan 0.000 0.493 203 R N 1.892 122.441 120.500 0.081 0.000 2.211 203 R HA -0.024 4.316 4.340 -0.000 0.000 0.240 203 R C 1.925 178.275 176.300 0.083 0.000 1.144 203 R CA 1.125 57.273 56.100 0.080 0.000 0.992 203 R CB -0.326 30.003 30.300 0.048 0.000 0.869 203 R HN 0.251 nan 8.270 nan 0.000 0.462 204 N N 1.105 119.853 118.700 0.080 0.000 2.173 204 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 204 N C 1.638 177.186 175.510 0.063 0.000 1.025 204 N CA 1.293 54.385 53.050 0.070 0.000 0.852 204 N CB 0.130 38.662 38.487 0.074 0.000 0.998 204 N HN 0.392 nan 8.380 nan 0.000 0.427 205 Q N -0.714 119.112 119.800 0.043 0.000 2.079 205 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 205 Q C 1.828 177.873 176.000 0.074 0.000 0.974 205 Q CA 0.955 56.763 55.803 0.007 0.000 0.840 205 Q CB -0.501 28.186 28.738 -0.086 0.000 0.898 205 Q HN 0.429 nan 8.270 nan 0.000 0.430 206 H N 1.701 120.771 119.070 0.000 0.000 2.321 206 H HA -0.152 4.404 4.556 -0.000 0.000 0.295 206 H C 1.863 177.203 175.328 0.021 0.000 1.102 206 H CA 1.716 57.772 56.048 0.014 0.000 1.266 206 H CB 0.182 29.952 29.762 0.013 0.000 1.363 206 H HN 0.243 nan 8.280 nan 0.000 0.492 207 E N 0.284 120.602 120.200 0.198 0.000 2.153 207 E HA -0.110 4.239 4.350 -0.000 0.000 0.194 207 E C 2.606 179.269 176.600 0.106 0.000 0.988 207 E CA 0.905 57.370 56.400 0.108 0.000 0.811 207 E CB -0.174 29.556 29.700 0.050 0.000 0.746 207 E HN 0.621 nan 8.360 nan 0.000 0.466 208 I N 0.745 121.375 120.570 0.100 0.000 2.439 208 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 208 I C 2.155 178.333 176.117 0.102 0.000 1.139 208 I CA 0.455 61.807 61.300 0.087 0.000 1.438 208 I CB -0.259 37.781 38.000 0.068 0.000 1.085 208 I HN 0.031 nan 8.210 nan 0.000 0.427 209 I N 1.137 121.773 120.570 0.111 0.000 2.163 209 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 209 I C 2.669 178.864 176.117 0.130 0.000 1.081 209 I CA 1.616 62.978 61.300 0.104 0.000 1.353 209 I CB -1.357 36.669 38.000 0.043 0.000 1.054 209 I HN 0.266 nan 8.210 nan 0.000 0.407 210 R N 0.293 120.894 120.500 0.168 0.000 2.105 210 R HA -0.169 4.171 4.340 -0.000 0.000 0.239 210 R C 2.491 178.852 176.300 0.102 0.000 1.135 210 R CA 1.725 57.905 56.100 0.134 0.000 0.967 210 R CB -0.720 29.648 30.300 0.113 0.000 0.861 210 R HN 0.377 nan 8.270 nan 0.000 0.442 211 C N 0.814 120.171 119.300 0.095 0.000 2.413 211 C HA -0.082 4.378 4.460 -0.000 0.000 0.276 211 C C 2.660 177.747 174.990 0.163 0.000 1.248 211 C CA 0.605 59.672 59.018 0.083 0.000 1.742 211 C CB -0.910 26.863 27.740 0.055 0.000 2.017 211 C HN 0.414 nan 8.230 nan 0.000 0.481 212 L N 0.766 122.100 121.223 0.185 0.000 2.005 212 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 212 L C 2.652 179.665 176.870 0.238 0.000 1.072 212 L CA 1.735 56.741 54.840 0.277 0.000 0.744 212 L CB -0.786 41.403 42.059 0.217 0.000 0.895 212 L HN 0.342 nan 8.230 nan 0.000 0.433 213 K N 0.505 120.995 120.400 0.149 0.000 2.034 213 K HA -0.293 4.027 4.320 -0.000 0.000 0.214 213 K C 2.094 178.750 176.600 0.093 0.000 1.051 213 K CA 1.902 58.250 56.287 0.101 0.000 0.931 213 K CB -0.220 32.330 32.500 0.082 0.000 0.715 213 K HN 0.293 nan 8.250 nan 0.000 0.446 214 A N 0.735 123.619 122.820 0.108 0.000 1.883 214 A HA -0.189 4.130 4.320 -0.000 0.000 0.217 214 A C 2.042 179.713 177.584 0.145 0.000 1.186 214 A CA 1.656 53.751 52.037 0.097 0.000 0.624 214 A CB -0.902 18.143 19.000 0.075 0.000 0.822 214 A HN 0.595 nan 8.150 nan 0.000 0.444 215 F N 0.053 120.040 119.950 0.062 0.000 2.146 215 F HA -0.074 4.453 4.527 -0.001 0.000 0.298 215 F C 2.102 177.976 175.800 0.123 0.000 1.096 215 F CA 1.895 59.957 58.000 0.103 0.000 1.275 215 F CB -0.312 38.773 39.000 0.140 0.000 1.008 215 F HN 0.151 nan 8.300 nan 0.000 0.480 216 M N -0.104 119.404 119.600 -0.153 0.000 2.492 216 M HA -0.073 4.407 4.480 -0.000 0.000 0.262 216 M C 0.595 176.818 176.300 -0.128 0.000 1.090 216 M CA 0.403 55.551 55.300 -0.253 0.000 1.110 216 M CB -0.535 32.015 32.600 -0.083 0.000 1.407 216 M HN 0.002 nan 8.290 nan 0.000 0.470 217 N N 3.481 122.150 118.700 -0.051 0.000 2.991 217 N HA -0.048 4.691 4.740 -0.000 0.000 0.324 217 N C -1.138 174.357 175.510 -0.024 0.000 1.208 217 N CA 0.310 53.348 53.050 -0.021 0.000 1.190 217 N CB -0.615 37.877 38.487 0.007 0.000 1.443 217 N HN 0.466 nan 8.380 nan 0.000 0.542 218 N N -1.510 117.166 118.700 -0.040 0.000 4.016 218 N HA -0.024 4.716 4.740 -0.000 0.000 0.227 218 N C -0.058 175.443 175.510 -0.014 0.000 1.337 218 N CA -0.647 52.394 53.050 -0.014 0.000 0.817 218 N CB 0.532 39.022 38.487 0.006 0.000 1.469 218 N HN -0.121 nan 8.380 nan 0.000 0.448 219 K N -0.207 120.206 120.400 0.023 0.000 1.970 219 K HA -0.105 4.214 4.320 -0.000 0.000 0.225 219 K C 1.540 178.161 176.600 0.035 0.000 1.045 219 K CA 1.928 58.233 56.287 0.029 0.000 1.002 219 K CB -0.614 31.921 32.500 0.058 0.000 0.743 219 K HN 0.390 nan 8.250 nan 0.000 0.445 220 F N 1.204 121.116 119.950 -0.064 0.000 2.060 220 F HA -0.383 4.144 4.527 -0.000 0.000 0.293 220 F C 2.106 177.815 175.800 -0.152 0.000 1.096 220 F CA 2.268 60.231 58.000 -0.062 0.000 1.241 220 F CB -0.988 38.000 39.000 -0.019 0.000 0.959 220 F HN 0.298 nan 8.300 nan 0.000 0.499 221 G N 0.250 109.027 108.800 -0.038 0.000 2.639 221 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.216 221 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.216 221 G C 1.467 176.098 174.900 -0.449 0.000 1.267 221 G CA 1.964 46.669 45.100 -0.657 0.000 0.801 221 G HN 0.625 nan 8.290 nan 0.000 0.592 222 I N 0.269 120.683 120.570 -0.261 0.000 2.113 222 I HA -0.214 3.955 4.170 -0.000 0.000 0.242 222 I C 2.460 178.521 176.117 -0.093 0.000 1.064 222 I CA 2.558 63.782 61.300 -0.126 0.000 1.320 222 I CB -0.803 37.151 38.000 -0.076 0.000 1.028 222 I HN 0.237 nan 8.210 nan 0.000 0.406 223 K N 0.799 121.128 120.400 -0.118 0.000 2.052 223 K HA -0.241 4.079 4.320 -0.000 0.000 0.215 223 K C 1.993 178.520 176.600 -0.122 0.000 1.053 223 K CA 2.781 58.995 56.287 -0.123 0.000 0.934 223 K CB -0.438 31.962 32.500 -0.167 0.000 0.717 223 K HN 0.636 nan 8.250 nan 0.000 0.450 224 T N 0.804 115.261 114.554 -0.162 0.000 3.023 224 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 224 T C 1.688 176.433 174.700 0.075 0.000 1.093 224 T CA 0.606 62.661 62.100 -0.075 0.000 1.129 224 T CB 0.023 68.854 68.868 -0.061 0.000 0.899 224 T HN 0.159 nan 8.240 nan 0.000 0.491 225 M N 1.145 120.811 119.600 0.111 0.000 2.175 225 M HA 0.140 4.620 4.480 -0.000 0.000 0.264 225 M C 1.969 178.307 176.300 0.064 0.000 1.063 225 M CA 1.204 56.593 55.300 0.149 0.000 1.119 225 M CB -0.868 31.825 32.600 0.155 0.000 1.377 225 M HN 0.291 nan 8.290 nan 0.000 0.415 226 L N -0.640 120.595 121.223 0.020 0.000 2.141 226 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 226 L C 1.989 178.858 176.870 -0.000 0.000 1.094 226 L CA 0.983 55.826 54.840 0.005 0.000 0.763 226 L CB -0.483 41.569 42.059 -0.013 0.000 0.908 226 L HN 0.324 nan 8.230 nan 0.000 0.437 227 E N -0.408 119.787 120.200 -0.009 0.000 2.268 227 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 227 E C 1.074 177.673 176.600 -0.002 0.000 0.995 227 E CA 0.826 57.217 56.400 -0.014 0.000 0.836 227 E CB -0.045 29.635 29.700 -0.032 0.000 0.763 227 E HN 0.541 nan 8.360 nan 0.000 0.491 228 T N -1.303 113.258 114.554 0.013 0.000 2.680 228 T HA -0.007 4.342 4.350 -0.000 0.000 0.314 228 T C 0.922 175.630 174.700 0.012 0.000 1.045 228 T CA -0.221 61.889 62.100 0.016 0.000 1.025 228 T CB 1.128 70.015 68.868 0.032 0.000 1.000 228 T HN -0.022 nan 8.240 nan 0.000 0.535 229 E N 0.306 120.513 120.200 0.011 0.000 2.033 229 E HA 0.007 4.357 4.350 -0.000 0.000 0.194 229 E C 2.015 178.623 176.600 0.014 0.000 0.960 229 E CA 0.341 56.747 56.400 0.010 0.000 0.842 229 E CB 0.017 29.721 29.700 0.007 0.000 0.816 229 E HN 0.763 nan 8.360 nan 0.000 0.468 230 E N 0.863 121.074 120.200 0.017 0.000 2.485 230 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 230 E C 1.359 177.978 176.600 0.032 0.000 1.098 230 E CA -0.084 56.328 56.400 0.020 0.000 0.878 230 E CB 0.187 29.899 29.700 0.021 0.000 0.939 230 E HN 0.292 nan 8.360 nan 0.000 0.503 231 G N 2.332 111.155 108.800 0.038 0.000 2.844 231 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.211 231 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.211 231 G C 1.444 176.374 174.900 0.051 0.000 1.368 231 G CA 1.281 46.413 45.100 0.054 0.000 0.815 231 G HN 0.274 nan 8.290 nan 0.000 0.649 232 I N 0.383 120.978 120.570 0.043 0.000 2.229 232 I HA -0.202 3.968 4.170 -0.000 0.000 0.250 232 I C 2.476 178.610 176.117 0.028 0.000 1.096 232 I CA 1.474 62.796 61.300 0.037 0.000 1.358 232 I CB -1.101 36.917 38.000 0.030 0.000 1.047 232 I HN 0.203 nan 8.210 nan 0.000 0.422 233 L N 0.118 121.353 121.223 0.019 0.000 2.046 233 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 233 L C 2.302 179.170 176.870 -0.004 0.000 1.077 233 L CA 1.789 56.630 54.840 0.002 0.000 0.747 233 L CB -0.467 41.588 42.059 -0.006 0.000 0.896 233 L HN 0.255 nan 8.230 nan 0.000 0.432 234 L N -1.476 119.759 121.223 0.021 0.000 2.109 234 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 234 L C 2.418 179.329 176.870 0.068 0.000 1.086 234 L CA 0.813 55.679 54.840 0.043 0.000 0.760 234 L CB -0.413 41.704 42.059 0.098 0.000 0.910 234 L HN 0.275 nan 8.230 nan 0.000 0.437 235 L N -1.055 120.205 121.223 0.062 0.000 1.990 235 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 235 L C 2.555 179.447 176.870 0.037 0.000 1.072 235 L CA 1.292 56.166 54.840 0.056 0.000 0.755 235 L CB -0.947 41.144 42.059 0.052 0.000 0.889 235 L HN 0.059 nan 8.230 nan 0.000 0.432 236 V N -0.147 119.781 119.914 0.022 0.000 2.282 236 V HA -0.334 3.785 4.120 -0.000 0.000 0.249 236 V C 2.635 178.724 176.094 -0.008 0.000 1.057 236 V CA 1.932 64.238 62.300 0.010 0.000 1.032 236 V CB -0.770 31.054 31.823 0.002 0.000 0.645 236 V HN 0.434 nan 8.190 nan 0.000 0.447 237 R N -0.025 120.450 120.500 -0.042 0.000 2.159 237 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 237 R C 2.307 178.603 176.300 -0.006 0.000 1.131 237 R CA 1.324 57.346 56.100 -0.130 0.000 0.982 237 R CB -0.519 29.547 30.300 -0.389 0.000 0.868 237 R HN 0.575 nan 8.270 nan 0.000 0.453 238 A N 1.157 124.028 122.820 0.085 0.000 2.014 238 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 238 A C 1.164 178.770 177.584 0.038 0.000 1.163 238 A CA 0.413 52.518 52.037 0.113 0.000 0.652 238 A CB -0.158 18.883 19.000 0.067 0.000 0.808 238 A HN 0.138 nan 8.150 nan 0.000 0.449 239 M N 1.723 121.334 119.600 0.019 0.000 2.249 239 M HA 0.245 4.725 4.480 -0.000 0.000 0.340 239 M C -0.624 175.682 176.300 0.010 0.000 1.166 239 M CA 0.579 55.883 55.300 0.007 0.000 1.115 239 M CB 0.025 32.632 32.600 0.012 0.000 1.606 239 M HN 0.584 nan 8.290 nan 0.000 0.448 240 D N 2.982 123.384 120.400 0.004 0.000 2.954 240 D HA 0.042 4.682 4.640 -0.000 0.000 0.260 240 D C -2.975 173.325 176.300 0.000 0.000 1.072 240 D CA -0.863 53.141 54.000 0.006 0.000 0.735 240 D CB 0.587 41.394 40.800 0.012 0.000 1.934 240 D HN 0.254 nan 8.370 nan 0.000 0.458 241 P HA -0.014 nan 4.420 nan 0.000 0.223 241 P C 1.283 178.582 177.300 -0.001 0.000 1.151 241 P CA 1.348 64.447 63.100 -0.002 0.000 0.787 241 P CB 0.058 31.756 31.700 -0.002 0.000 0.788 242 A N -0.097 122.722 122.820 -0.001 0.000 2.066 242 A HA 0.040 4.360 4.320 -0.000 0.000 0.218 242 A C 1.417 179.001 177.584 -0.001 0.000 1.157 242 A CA 1.067 53.103 52.037 -0.002 0.000 0.670 242 A CB -0.532 18.466 19.000 -0.004 0.000 0.804 242 A HN 0.134 nan 8.150 nan 0.000 0.453 243 V N 0.485 120.400 119.914 0.002 0.000 2.468 243 V HA 0.158 4.278 4.120 -0.000 0.000 0.256 243 V C -1.901 174.199 176.094 0.009 0.000 0.998 243 V CA -0.841 61.465 62.300 0.009 0.000 1.114 243 V CB 0.926 32.753 31.823 0.007 0.000 1.378 243 V HN 0.138 nan 8.190 nan 0.000 0.573 244 P HA -0.247 nan 4.420 nan 0.000 0.224 244 P C 1.405 178.716 177.300 0.018 0.000 1.153 244 P CA 1.836 64.943 63.100 0.013 0.000 0.947 244 P CB 0.199 31.910 31.700 0.019 0.000 0.790 245 N N -1.679 117.056 118.700 0.058 0.000 2.149 245 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 245 N C 1.725 177.227 175.510 -0.014 0.000 1.019 245 N CA 1.128 54.250 53.050 0.119 0.000 0.857 245 N CB -0.848 37.805 38.487 0.277 0.000 0.997 245 N HN 0.220 nan 8.380 nan 0.000 0.426 246 M N -0.109 119.369 119.600 -0.203 0.000 2.077 246 M HA -0.096 4.384 4.480 -0.000 0.000 0.261 246 M C 2.147 178.309 176.300 -0.229 0.000 1.070 246 M CA 1.290 56.280 55.300 -0.516 0.000 1.125 246 M CB -0.063 32.313 32.600 -0.373 0.000 1.339 246 M HN 0.137 nan 8.290 nan 0.000 0.409 247 M N 0.779 120.316 119.600 -0.106 0.000 2.089 247 M HA -0.283 4.197 4.480 -0.000 0.000 0.257 247 M C 1.782 178.058 176.300 -0.039 0.000 1.071 247 M CA 1.901 57.171 55.300 -0.050 0.000 1.096 247 M CB -0.320 32.265 32.600 -0.025 0.000 1.330 247 M HN 0.361 nan 8.290 nan 0.000 0.403 248 I N 0.024 120.576 120.570 -0.029 0.000 2.113 248 I HA -0.379 3.790 4.170 -0.000 0.000 0.242 248 I C 2.107 178.222 176.117 -0.005 0.000 1.064 248 I CA 2.007 63.303 61.300 -0.007 0.000 1.320 248 I CB -1.801 36.210 38.000 0.018 0.000 1.028 248 I HN 0.456 nan 8.210 nan 0.000 0.406 249 D N 0.495 120.884 120.400 -0.019 0.000 2.183 249 D HA -0.046 4.594 4.640 -0.000 0.000 0.203 249 D C 2.204 178.500 176.300 -0.006 0.000 0.969 249 D CA 1.260 55.262 54.000 0.003 0.000 0.842 249 D CB 0.415 41.234 40.800 0.032 0.000 0.957 249 D HN 0.338 nan 8.370 nan 0.000 0.484 250 A N 1.320 124.121 122.820 -0.032 0.000 1.873 250 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 250 A C 2.331 179.920 177.584 0.008 0.000 1.186 250 A CA 1.855 53.887 52.037 -0.008 0.000 0.616 250 A CB -0.687 18.305 19.000 -0.014 0.000 0.823 250 A HN 0.229 nan 8.150 nan 0.000 0.442 251 A N 1.349 124.170 122.820 0.002 0.000 1.842 251 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 251 A C 2.094 179.685 177.584 0.011 0.000 1.206 251 A CA 2.392 54.433 52.037 0.007 0.000 0.630 251 A CB -0.775 18.223 19.000 -0.003 0.000 0.839 251 A HN 0.651 nan 8.150 nan 0.000 0.447 252 K N -0.719 119.687 120.400 0.010 0.000 2.281 252 K HA -0.117 4.203 4.320 -0.000 0.000 0.203 252 K C 1.721 178.332 176.600 0.019 0.000 1.046 252 K CA 1.454 57.749 56.287 0.013 0.000 0.938 252 K CB -0.508 32.000 32.500 0.013 0.000 0.737 252 K HN 0.314 nan 8.250 nan 0.000 0.458 253 L N 1.779 123.016 121.223 0.024 0.000 2.056 253 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 253 L C 2.144 179.032 176.870 0.030 0.000 1.078 253 L CA 1.377 56.235 54.840 0.031 0.000 0.749 253 L CB -0.438 41.644 42.059 0.039 0.000 0.901 253 L HN 0.178 nan 8.230 nan 0.000 0.433 254 L N -1.772 119.468 121.223 0.029 0.000 2.005 254 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 254 L C 2.464 179.350 176.870 0.027 0.000 1.072 254 L CA 1.214 56.072 54.840 0.031 0.000 0.744 254 L CB -0.757 41.323 42.059 0.034 0.000 0.895 254 L HN 0.158 nan 8.230 nan 0.000 0.433 255 S N 0.297 116.011 115.700 0.024 0.000 2.389 255 S HA -0.301 4.168 4.470 -0.000 0.000 0.231 255 S C 2.075 176.687 174.600 0.019 0.000 1.052 255 S CA 1.600 59.813 58.200 0.021 0.000 1.053 255 S CB -0.430 62.779 63.200 0.014 0.000 0.886 255 S HN 0.535 nan 8.310 nan 0.000 0.456 256 A N 0.479 123.309 122.820 0.017 0.000 2.067 256 A HA 0.110 4.430 4.320 -0.000 0.000 0.219 256 A C 2.036 179.626 177.584 0.010 0.000 1.158 256 A CA 0.802 52.846 52.037 0.013 0.000 0.661 256 A CB -0.460 18.547 19.000 0.011 0.000 0.801 256 A HN 0.460 nan 8.150 nan 0.000 0.452 257 L N -1.198 120.033 121.223 0.014 0.000 2.068 257 L HA -0.178 4.161 4.340 -0.000 0.000 0.204 257 L C 2.681 179.558 176.870 0.011 0.000 1.076 257 L CA 1.051 55.898 54.840 0.011 0.000 0.753 257 L CB -0.810 41.259 42.059 0.016 0.000 0.910 257 L HN 0.448 nan 8.230 nan 0.000 0.439 258 C N 0.865 120.176 119.300 0.018 0.000 2.328 258 C HA -0.242 4.218 4.460 -0.000 0.000 0.276 258 C C 2.418 177.414 174.990 0.011 0.000 1.173 258 C CA 1.245 60.275 59.018 0.019 0.000 1.774 258 C CB -1.038 26.720 27.740 0.029 0.000 2.009 258 C HN 0.596 nan 8.230 nan 0.000 0.436 259 I N -0.367 120.210 120.570 0.012 0.000 3.555 259 I HA 0.151 4.321 4.170 -0.000 0.000 0.304 259 I C 0.353 176.472 176.117 0.004 0.000 1.246 259 I CA 0.079 61.384 61.300 0.009 0.000 1.220 259 I CB -0.760 37.247 38.000 0.011 0.000 1.001 259 I HN 0.160 nan 8.210 nan 0.000 0.513 260 L N 2.932 124.156 121.223 0.002 0.000 2.361 260 L HA 0.327 4.667 4.340 -0.000 0.000 0.278 260 L C -1.351 175.516 176.870 -0.005 0.000 1.113 260 L CA -1.354 53.484 54.840 -0.003 0.000 0.849 260 L CB 0.591 42.647 42.059 -0.005 0.000 1.155 260 L HN -0.045 nan 8.230 nan 0.000 0.452 261 P HA -0.179 nan 4.420 nan 0.000 0.213 261 P C 0.842 178.137 177.300 -0.009 0.000 1.170 261 P CA 1.133 64.229 63.100 -0.006 0.000 0.893 261 P CB 0.212 31.909 31.700 -0.004 0.000 0.784 262 Q N -0.312 119.483 119.800 -0.009 0.000 2.269 262 Q HA 0.074 4.414 4.340 -0.000 0.000 0.201 262 Q C -1.348 174.645 176.000 -0.012 0.000 0.946 262 Q CA 0.711 56.508 55.803 -0.010 0.000 0.877 262 Q CB -2.212 26.520 28.738 -0.009 0.000 0.963 262 Q HN 0.238 nan 8.270 nan 0.000 0.472 263 P HA 0.216 nan 4.420 nan 0.000 0.251 263 P C -1.138 176.153 177.300 -0.014 0.000 1.718 263 P CA -0.218 62.874 63.100 -0.014 0.000 1.119 263 P CB 0.318 32.009 31.700 -0.015 0.000 1.762 264 E N 1.879 122.070 120.200 -0.016 0.000 2.481 264 E HA -0.058 4.292 4.350 -0.000 0.000 0.263 264 E C 0.239 176.824 176.600 -0.025 0.000 0.992 264 E CA 0.420 56.808 56.400 -0.021 0.000 0.938 264 E CB -0.115 29.572 29.700 -0.021 0.000 0.933 264 E HN 0.352 nan 8.360 nan 0.000 0.453 265 D N 1.691 122.070 120.400 -0.036 0.000 2.800 265 D HA -0.220 4.420 4.640 -0.000 0.000 0.232 265 D C 0.595 176.878 176.300 -0.028 0.000 1.137 265 D CA 0.534 54.504 54.000 -0.049 0.000 0.718 265 D CB -0.855 39.910 40.800 -0.057 0.000 1.084 265 D HN 0.410 nan 8.370 nan 0.000 0.432 266 M N 1.427 121.017 119.600 -0.016 0.000 2.202 266 M HA -0.156 4.323 4.480 -0.000 0.000 0.262 266 M C 1.879 178.186 176.300 0.011 0.000 1.063 266 M CA 1.860 57.160 55.300 -0.001 0.000 1.097 266 M CB -0.275 32.325 32.600 0.001 0.000 1.382 266 M HN 0.326 nan 8.290 nan 0.000 0.413 267 N N -0.483 118.221 118.700 0.007 0.000 2.272 267 N HA -0.219 4.520 4.740 -0.000 0.000 0.185 267 N C 1.402 176.947 175.510 0.058 0.000 1.014 267 N CA 1.744 54.815 53.050 0.035 0.000 0.870 267 N CB -0.707 37.794 38.487 0.023 0.000 0.975 267 N HN 0.575 nan 8.380 nan 0.000 0.433 268 E N 0.646 120.856 120.200 0.018 0.000 2.072 268 E HA 0.014 4.363 4.350 -0.000 0.000 0.190 268 E C 2.196 178.830 176.600 0.056 0.000 0.982 268 E CA 0.456 56.883 56.400 0.046 0.000 0.803 268 E CB 0.029 29.729 29.700 -0.001 0.000 0.755 268 E HN 0.377 nan 8.360 nan 0.000 0.453 269 R N 0.414 120.934 120.500 0.033 0.000 2.083 269 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 269 R C 2.423 178.745 176.300 0.038 0.000 1.137 269 R CA 1.377 57.495 56.100 0.030 0.000 0.951 269 R CB -0.472 29.840 30.300 0.019 0.000 0.851 269 R HN 0.084 nan 8.270 nan 0.000 0.434 270 V N 1.209 121.151 119.914 0.047 0.000 2.343 270 V HA -0.220 3.899 4.120 -0.000 0.000 0.247 270 V C 2.201 178.334 176.094 0.065 0.000 1.051 270 V CA 1.466 63.799 62.300 0.054 0.000 1.036 270 V CB -0.415 31.446 31.823 0.063 0.000 0.654 270 V HN 0.214 nan 8.190 nan 0.000 0.451 271 L N -0.119 121.158 121.223 0.090 0.000 2.072 271 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 271 L C 2.406 179.296 176.870 0.033 0.000 1.079 271 L CA 1.813 56.708 54.840 0.092 0.000 0.752 271 L CB -0.538 41.627 42.059 0.176 0.000 0.906 271 L HN 0.331 nan 8.230 nan 0.000 0.436 272 E N -0.537 119.689 120.200 0.044 0.000 2.033 272 E HA -0.297 4.052 4.350 -0.000 0.000 0.199 272 E C 2.165 178.766 176.600 0.000 0.000 1.011 272 E CA 1.416 57.828 56.400 0.021 0.000 0.815 272 E CB -0.387 29.331 29.700 0.029 0.000 0.755 272 E HN 0.618 nan 8.360 nan 0.000 0.451 273 A N 1.011 123.836 122.820 0.008 0.000 1.940 273 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 273 A C 2.126 179.702 177.584 -0.014 0.000 1.176 273 A CA 1.696 53.732 52.037 -0.001 0.000 0.631 273 A CB -0.541 18.465 19.000 0.009 0.000 0.814 273 A HN 0.283 nan 8.150 nan 0.000 0.446 274 M N -0.185 119.409 119.600 -0.010 0.000 2.213 274 M HA -0.147 4.332 4.480 -0.000 0.000 0.263 274 M C 1.988 178.241 176.300 -0.078 0.000 1.062 274 M CA 2.104 57.388 55.300 -0.027 0.000 1.105 274 M CB -0.316 32.284 32.600 -0.001 0.000 1.385 274 M HN 0.524 nan 8.290 nan 0.000 0.417 275 T N 0.019 114.519 114.554 -0.090 0.000 2.701 275 T HA -0.147 4.203 4.350 -0.000 0.000 0.263 275 T C 1.392 176.047 174.700 -0.075 0.000 1.040 275 T CA 1.723 63.757 62.100 -0.110 0.000 1.147 275 T CB -0.576 68.237 68.868 -0.092 0.000 0.865 275 T HN 0.534 nan 8.240 nan 0.000 0.426 276 E N 1.454 121.623 120.200 -0.051 0.000 2.219 276 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 276 E C 2.310 178.883 176.600 -0.045 0.000 0.998 276 E CA 1.175 57.551 56.400 -0.040 0.000 0.818 276 E CB -0.315 29.368 29.700 -0.029 0.000 0.741 276 E HN 0.631 nan 8.360 nan 0.000 0.477 277 R N 0.682 121.150 120.500 -0.053 0.000 2.193 277 R HA 0.132 4.471 4.340 -0.000 0.000 0.213 277 R C 1.933 178.201 176.300 -0.054 0.000 1.055 277 R CA 0.998 57.063 56.100 -0.059 0.000 0.995 277 R CB -0.086 30.175 30.300 -0.066 0.000 0.893 277 R HN 0.029 nan 8.270 nan 0.000 0.459 278 A N 0.737 123.523 122.820 -0.058 0.000 2.252 278 A HA 0.019 4.339 4.320 -0.000 0.000 0.207 278 A C 0.766 178.324 177.584 -0.043 0.000 1.194 278 A CA 0.630 52.634 52.037 -0.056 0.000 0.809 278 A CB -0.098 18.854 19.000 -0.079 0.000 0.814 278 A HN 0.485 nan 8.150 nan 0.000 0.482 279 E N -1.402 118.775 120.200 -0.038 0.000 2.367 279 E HA 0.163 4.513 4.350 -0.000 0.000 0.204 279 E C 1.746 178.332 176.600 -0.023 0.000 0.840 279 E CA 0.418 56.802 56.400 -0.028 0.000 1.051 279 E CB -0.412 29.273 29.700 -0.025 0.000 1.051 279 E HN 0.514 nan 8.360 nan 0.000 0.509 280 M N 0.697 120.281 119.600 -0.027 0.000 2.103 280 M HA -0.159 4.321 4.480 -0.000 0.000 0.255 280 M C 0.164 176.453 176.300 -0.018 0.000 1.074 280 M CA 1.339 56.625 55.300 -0.024 0.000 1.090 280 M CB -0.357 32.222 32.600 -0.035 0.000 1.325 280 M HN -0.040 nan 8.290 nan 0.000 0.403 281 D N -0.382 120.006 120.400 -0.021 0.000 2.375 281 D HA 0.210 4.850 4.640 -0.000 0.000 0.247 281 D C -0.547 175.742 176.300 -0.018 0.000 1.061 281 D CA -0.246 53.745 54.000 -0.015 0.000 0.834 281 D CB 1.209 42.001 40.800 -0.013 0.000 1.247 281 D HN 0.056 nan 8.370 nan 0.000 0.489 282 E N 1.128 121.320 120.200 -0.014 0.000 2.321 282 E HA 0.137 4.487 4.350 -0.000 0.000 0.189 282 E C -0.122 176.467 176.600 -0.018 0.000 1.125 282 E CA -0.109 56.282 56.400 -0.016 0.000 1.005 282 E CB 0.428 30.122 29.700 -0.011 0.000 1.140 282 E HN 0.167 nan 8.360 nan 0.000 0.457 283 V N 0.854 120.757 119.914 -0.018 0.000 2.863 283 V HA 0.110 4.230 4.120 -0.000 0.000 0.307 283 V C 0.532 176.611 176.094 -0.026 0.000 1.061 283 V CA -1.009 61.281 62.300 -0.016 0.000 1.024 283 V CB 1.530 33.348 31.823 -0.009 0.000 1.049 283 V HN 0.117 nan 8.190 nan 0.000 0.471 284 E N 1.868 122.054 120.200 -0.023 0.000 2.437 284 E HA -0.028 4.322 4.350 -0.000 0.000 0.263 284 E C 1.354 177.916 176.600 -0.063 0.000 1.030 284 E CA 0.254 56.629 56.400 -0.042 0.000 0.934 284 E CB 0.447 30.137 29.700 -0.017 0.000 0.943 284 E HN 0.589 nan 8.360 nan 0.000 0.444 285 R N 3.214 123.620 120.500 -0.157 0.000 2.341 285 R HA -0.064 4.275 4.340 -0.000 0.000 0.213 285 R C 1.046 177.222 176.300 -0.207 0.000 1.082 285 R CA 1.341 57.293 56.100 -0.247 0.000 1.017 285 R CB -0.147 29.905 30.300 -0.413 0.000 0.860 285 R HN 0.531 nan 8.270 nan 0.000 0.473 286 F N -0.205 119.723 119.950 -0.036 0.000 2.746 286 F HA 0.197 4.724 4.527 -0.000 0.000 0.313 286 F C 2.328 178.107 175.800 -0.034 0.000 1.095 286 F CA -0.659 57.318 58.000 -0.039 0.000 1.224 286 F CB 0.423 39.394 39.000 -0.048 0.000 1.060 286 F HN -0.001 nan 8.300 nan 0.000 0.584 287 Q N 1.156 121.043 119.800 0.146 0.000 2.181 287 Q HA -0.161 4.179 4.340 -0.000 0.000 0.205 287 Q C -0.948 175.082 176.000 0.051 0.000 0.980 287 Q CA 1.419 57.268 55.803 0.076 0.000 0.862 287 Q CB -0.860 27.903 28.738 0.042 0.000 0.905 287 Q HN 0.268 nan 8.270 nan 0.000 0.429 288 P HA -0.215 nan 4.420 nan 0.000 0.213 288 P C 1.133 178.447 177.300 0.024 0.000 1.176 288 P CA 1.276 64.398 63.100 0.036 0.000 0.919 288 P CB -0.170 31.557 31.700 0.044 0.000 0.791 289 L N -2.023 119.223 121.223 0.037 0.000 2.349 289 L HA -0.157 4.182 4.340 -0.000 0.000 0.220 289 L C 2.371 179.206 176.870 -0.058 0.000 1.130 289 L CA 0.942 55.766 54.840 -0.026 0.000 0.791 289 L CB -0.482 41.532 42.059 -0.076 0.000 0.918 289 L HN 0.024 nan 8.230 nan 0.000 0.444 290 L N -1.434 119.772 121.223 -0.029 0.000 2.357 290 L HA -0.009 4.331 4.340 -0.000 0.000 0.211 290 L C 1.845 178.701 176.870 -0.024 0.000 1.075 290 L CA 0.531 55.349 54.840 -0.038 0.000 0.830 290 L CB 0.020 42.067 42.059 -0.020 0.000 0.996 290 L HN 0.068 nan 8.230 nan 0.000 0.467 291 D N 0.368 120.762 120.400 -0.009 0.000 2.123 291 D HA -0.154 4.485 4.640 -0.000 0.000 0.196 291 D C 1.671 177.962 176.300 -0.015 0.000 0.992 291 D CA 1.515 55.511 54.000 -0.008 0.000 0.833 291 D CB -0.245 40.555 40.800 -0.000 0.000 0.954 291 D HN 0.393 nan 8.370 nan 0.000 0.455 292 G N -0.439 108.349 108.800 -0.020 0.000 3.374 292 G HA2 0.236 4.196 3.960 -0.000 0.000 0.252 292 G HA3 0.236 4.196 3.960 -0.000 0.000 0.252 292 G C 0.311 175.190 174.900 -0.036 0.000 1.326 292 G CA -0.124 44.961 45.100 -0.025 0.000 1.133 292 G HN 0.223 nan 8.290 nan 0.000 0.528 293 L N -0.471 120.730 121.223 -0.038 0.000 2.980 293 L HA 0.372 4.711 4.340 -0.000 0.000 0.314 293 L C 0.341 177.189 176.870 -0.036 0.000 1.303 293 L CA -0.144 54.669 54.840 -0.046 0.000 0.785 293 L CB 0.618 42.636 42.059 -0.067 0.000 1.190 293 L HN 0.034 nan 8.230 nan 0.000 0.567 294 K N -0.791 119.593 120.400 -0.027 0.000 2.296 294 K HA 0.579 4.899 4.320 -0.000 0.000 0.243 294 K C -0.105 176.484 176.600 -0.018 0.000 1.082 294 K CA -0.810 55.465 56.287 -0.020 0.000 0.929 294 K CB 1.525 34.016 32.500 -0.015 0.000 1.353 294 K HN -0.125 nan 8.250 nan 0.000 0.536 295 S N -0.166 115.526 115.700 -0.014 0.000 2.499 295 S HA 0.420 4.890 4.470 -0.000 0.000 0.275 295 S C 0.600 175.194 174.600 -0.010 0.000 1.257 295 S CA 0.464 58.657 58.200 -0.012 0.000 1.050 295 S CB 0.919 64.113 63.200 -0.010 0.000 0.937 295 S HN 0.864 nan 8.310 nan 0.000 0.490 296 G N 2.394 111.189 108.800 -0.009 0.000 2.436 296 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.204 296 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.204 296 G C 0.450 175.346 174.900 -0.007 0.000 1.026 296 G CA -0.050 45.046 45.100 -0.007 0.000 0.658 296 G HN 0.969 nan 8.290 nan 0.000 0.499 297 T N 1.940 116.489 114.554 -0.009 0.000 2.940 297 T HA 0.474 4.824 4.350 -0.000 0.000 0.309 297 T C 1.066 175.761 174.700 -0.008 0.000 1.056 297 T CA 1.078 63.173 62.100 -0.009 0.000 1.137 297 T CB 0.668 69.528 68.868 -0.013 0.000 0.976 297 T HN 1.704 nan 8.240 nan 0.000 0.547 298 S N 5.488 121.185 115.700 -0.005 0.000 2.525 298 S HA 0.081 4.551 4.470 -0.000 0.000 0.285 298 S C 1.649 176.245 174.600 -0.008 0.000 1.283 298 S CA -1.013 57.185 58.200 -0.004 0.000 1.072 298 S CB 0.066 63.267 63.200 0.002 0.000 0.867 298 S HN 0.612 nan 8.310 nan 0.000 0.492 299 I N 1.737 122.302 120.570 -0.008 0.000 2.800 299 I HA -0.154 4.016 4.170 -0.000 0.000 0.266 299 I C 2.288 178.398 176.117 -0.011 0.000 1.249 299 I CA 1.214 62.507 61.300 -0.012 0.000 1.458 299 I CB -2.404 35.589 38.000 -0.010 0.000 1.093 299 I HN 0.849 nan 8.210 nan 0.000 0.466 300 A N 0.588 123.404 122.820 -0.006 0.000 1.975 300 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 300 A C 2.229 179.809 177.584 -0.007 0.000 1.170 300 A CA 0.435 52.470 52.037 -0.004 0.000 0.656 300 A CB -0.445 18.557 19.000 0.003 0.000 0.821 300 A HN 0.320 nan 8.150 nan 0.000 0.449 301 L N 0.483 121.701 121.223 -0.008 0.000 1.989 301 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 301 L C 2.208 179.062 176.870 -0.025 0.000 1.071 301 L CA 2.270 57.102 54.840 -0.013 0.000 0.749 301 L CB -0.650 41.402 42.059 -0.012 0.000 0.890 301 L HN 0.354 nan 8.230 nan 0.000 0.431 302 K N -1.103 119.279 120.400 -0.030 0.000 2.074 302 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 302 K C 1.907 178.476 176.600 -0.051 0.000 1.048 302 K CA 1.743 58.003 56.287 -0.044 0.000 0.926 302 K CB -0.576 31.899 32.500 -0.042 0.000 0.713 302 K HN 0.289 nan 8.250 nan 0.000 0.444 303 V N 0.856 120.748 119.914 -0.037 0.000 2.392 303 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 303 V C 2.330 178.403 176.094 -0.036 0.000 1.059 303 V CA 2.192 64.472 62.300 -0.034 0.000 1.051 303 V CB -0.848 30.963 31.823 -0.019 0.000 0.658 303 V HN 0.532 nan 8.190 nan 0.000 0.455 304 G N -1.859 106.923 108.800 -0.030 0.000 2.511 304 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 304 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 304 G C 1.539 176.415 174.900 -0.041 0.000 1.133 304 G CA 0.938 46.022 45.100 -0.027 0.000 0.792 304 G HN 0.522 nan 8.290 nan 0.000 0.539 305 C N -0.052 119.213 119.300 -0.058 0.000 2.762 305 C HA 0.059 4.519 4.460 -0.000 0.000 0.288 305 C C 2.597 177.515 174.990 -0.121 0.000 1.272 305 C CA 0.769 59.736 59.018 -0.084 0.000 1.729 305 C CB -1.004 26.679 27.740 -0.095 0.000 2.135 305 C HN 0.416 nan 8.230 nan 0.000 0.482 306 L N 1.167 122.300 121.223 -0.151 0.000 2.263 306 L HA -0.189 4.151 4.340 -0.000 0.000 0.216 306 L C 2.444 179.236 176.870 -0.130 0.000 1.111 306 L CA 1.754 56.469 54.840 -0.207 0.000 0.773 306 L CB -0.979 40.941 42.059 -0.231 0.000 0.906 306 L HN 0.476 nan 8.230 nan 0.000 0.439 307 Q N -0.888 118.865 119.800 -0.078 0.000 2.079 307 Q HA -0.202 4.137 4.340 -0.000 0.000 0.200 307 Q C 2.315 178.297 176.000 -0.030 0.000 0.974 307 Q CA 1.799 57.578 55.803 -0.039 0.000 0.840 307 Q CB -0.113 28.610 28.738 -0.025 0.000 0.898 307 Q HN 0.662 nan 8.270 nan 0.000 0.430 308 L N 0.287 121.486 121.223 -0.040 0.000 2.023 308 L HA -0.179 4.161 4.340 -0.000 0.000 0.205 308 L C 2.274 179.127 176.870 -0.029 0.000 1.073 308 L CA 0.908 55.735 54.840 -0.022 0.000 0.745 308 L CB -0.246 41.802 42.059 -0.018 0.000 0.900 308 L HN 0.323 nan 8.230 nan 0.000 0.435 309 I N 0.425 120.943 120.570 -0.087 0.000 2.143 309 I HA -0.426 3.743 4.170 -0.000 0.000 0.245 309 I C 2.034 178.142 176.117 -0.015 0.000 1.068 309 I CA 1.760 62.992 61.300 -0.115 0.000 1.326 309 I CB -0.618 37.232 38.000 -0.249 0.000 1.028 309 I HN 0.416 nan 8.210 nan 0.000 0.412 310 N N 0.915 119.619 118.700 0.006 0.000 2.149 310 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 310 N C 1.789 177.337 175.510 0.063 0.000 1.019 310 N CA 1.633 54.726 53.050 0.071 0.000 0.857 310 N CB -0.391 38.136 38.487 0.066 0.000 0.997 310 N HN 0.418 nan 8.380 nan 0.000 0.426 311 A N -0.055 122.790 122.820 0.041 0.000 2.066 311 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 311 A C 1.556 179.176 177.584 0.059 0.000 1.157 311 A CA 0.575 52.637 52.037 0.042 0.000 0.670 311 A CB -0.229 18.789 19.000 0.030 0.000 0.804 311 A HN 0.233 nan 8.150 nan 0.000 0.453 312 L N -0.446 120.821 121.223 0.073 0.000 2.737 312 L HA 0.334 4.674 4.340 -0.000 0.000 0.236 312 L C 0.861 177.831 176.870 0.166 0.000 1.219 312 L CA 0.144 55.057 54.840 0.121 0.000 1.021 312 L CB -0.054 42.080 42.059 0.126 0.000 1.291 312 L HN 0.423 nan 8.230 nan 0.000 0.470 313 I N -2.816 117.837 120.570 0.138 0.000 4.147 313 I HA -0.099 4.070 4.170 -0.000 0.000 0.278 313 I C 1.998 178.185 176.117 0.117 0.000 1.133 313 I CA 0.297 61.696 61.300 0.164 0.000 1.317 313 I CB 0.560 38.661 38.000 0.168 0.000 1.688 313 I HN -0.090 nan 8.210 nan 0.000 0.432 314 T N 2.775 117.380 114.554 0.086 0.000 2.684 314 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 314 T C -0.895 173.825 174.700 0.033 0.000 1.036 314 T CA 1.787 63.922 62.100 0.057 0.000 1.148 314 T CB -0.984 67.913 68.868 0.049 0.000 0.863 314 T HN 0.253 nan 8.240 nan 0.000 0.436 315 P HA 0.314 nan 4.420 nan 0.000 0.249 315 P C -0.243 177.032 177.300 -0.042 0.000 1.229 315 P CA 0.204 63.300 63.100 -0.007 0.000 0.788 315 P CB -0.149 31.545 31.700 -0.011 0.000 1.072 316 A N 0.909 123.701 122.820 -0.047 0.000 2.438 316 A HA 0.081 4.401 4.320 -0.000 0.000 0.280 316 A C 1.415 178.959 177.584 -0.068 0.000 1.160 316 A CA -0.073 51.882 52.037 -0.137 0.000 0.821 316 A CB -0.128 18.786 19.000 -0.143 0.000 1.101 316 A HN -0.062 nan 8.150 nan 0.000 0.515 317 E N 2.158 122.305 120.200 -0.089 0.000 2.204 317 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 317 E C 0.269 176.869 176.600 -0.000 0.000 0.989 317 E CA 1.145 57.524 56.400 -0.035 0.000 0.824 317 E CB 0.139 29.815 29.700 -0.040 0.000 0.756 317 E HN 0.812 nan 8.360 nan 0.000 0.477 318 E N 0.281 120.482 120.200 0.002 0.000 2.130 318 E HA 0.070 4.420 4.350 -0.000 0.000 0.284 318 E C 0.642 177.328 176.600 0.144 0.000 1.018 318 E CA -0.268 56.177 56.400 0.074 0.000 0.817 318 E CB 1.127 30.885 29.700 0.098 0.000 1.078 318 E HN 0.190 nan 8.360 nan 0.000 0.396 319 L N 3.817 125.107 121.223 0.113 0.000 2.043 319 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 319 L C 1.247 178.205 176.870 0.147 0.000 1.075 319 L CA 1.650 56.561 54.840 0.118 0.000 0.752 319 L CB 0.053 42.161 42.059 0.083 0.000 0.891 319 L HN 0.566 nan 8.230 nan 0.000 0.432 320 D N -0.979 119.507 120.400 0.144 0.000 2.182 320 D HA -0.253 4.386 4.640 -0.000 0.000 0.201 320 D C 1.774 178.197 176.300 0.204 0.000 0.986 320 D CA 1.236 55.318 54.000 0.137 0.000 0.847 320 D CB -0.187 40.678 40.800 0.108 0.000 0.942 320 D HN 0.349 nan 8.370 nan 0.000 0.467 321 F N 1.347 121.366 119.950 0.115 0.000 2.084 321 F HA -0.096 4.431 4.527 -0.000 0.000 0.296 321 F C 2.228 178.119 175.800 0.152 0.000 1.111 321 F CA 1.359 59.459 58.000 0.165 0.000 1.224 321 F CB 0.075 39.145 39.000 0.117 0.000 0.991 321 F HN -0.197 nan 8.300 nan 0.000 0.471 322 R N -0.361 120.353 120.500 0.356 0.000 2.073 322 R HA -0.152 4.187 4.340 -0.000 0.000 0.234 322 R C 2.220 178.591 176.300 0.119 0.000 1.134 322 R CA 1.590 57.833 56.100 0.237 0.000 0.952 322 R CB -1.186 29.235 30.300 0.203 0.000 0.850 322 R HN 0.383 nan 8.270 nan 0.000 0.433 323 V N 1.338 121.320 119.914 0.113 0.000 2.515 323 V HA -0.237 3.882 4.120 -0.000 0.000 0.250 323 V C 2.206 178.354 176.094 0.091 0.000 1.058 323 V CA 1.875 64.222 62.300 0.079 0.000 1.064 323 V CB -0.506 31.350 31.823 0.055 0.000 0.675 323 V HN 0.438 nan 8.190 nan 0.000 0.461 324 H N 0.815 119.863 119.070 -0.036 0.000 2.254 324 H HA -0.210 4.346 4.556 -0.000 0.000 0.294 324 H C 2.221 177.507 175.328 -0.070 0.000 1.071 324 H CA 2.853 58.851 56.048 -0.083 0.000 1.228 324 H CB -0.081 29.579 29.762 -0.171 0.000 1.358 324 H HN 0.548 nan 8.280 nan 0.000 0.495 325 I N -0.155 120.224 120.570 -0.318 0.000 2.439 325 I HA -0.083 4.087 4.170 -0.000 0.000 0.251 325 I C 2.701 178.785 176.117 -0.054 0.000 1.139 325 I CA 1.163 62.306 61.300 -0.260 0.000 1.438 325 I CB -0.689 37.164 38.000 -0.245 0.000 1.085 325 I HN 0.133 nan 8.210 nan 0.000 0.427 326 R N 0.784 121.278 120.500 -0.010 0.000 2.096 326 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 326 R C 2.349 178.674 176.300 0.042 0.000 1.127 326 R CA 1.657 57.783 56.100 0.043 0.000 0.968 326 R CB -0.246 30.111 30.300 0.095 0.000 0.861 326 R HN 0.471 nan 8.270 nan 0.000 0.440 327 S N 0.151 115.877 115.700 0.043 0.000 2.387 327 S HA -0.126 4.344 4.470 -0.000 0.000 0.226 327 S C 1.647 176.280 174.600 0.055 0.000 1.026 327 S CA 1.121 59.351 58.200 0.050 0.000 0.972 327 S CB -0.059 63.175 63.200 0.057 0.000 0.814 327 S HN 0.448 nan 8.310 nan 0.000 0.477 328 E N 0.593 120.829 120.200 0.059 0.000 2.049 328 E HA -0.169 4.180 4.350 -0.000 0.000 0.198 328 E C 1.915 178.587 176.600 0.120 0.000 1.007 328 E CA 1.327 57.786 56.400 0.099 0.000 0.809 328 E CB -0.173 29.605 29.700 0.131 0.000 0.749 328 E HN 0.282 nan 8.360 nan 0.000 0.450 329 L N 0.223 121.480 121.223 0.057 0.000 1.963 329 L HA -0.250 4.090 4.340 -0.000 0.000 0.220 329 L C 2.603 179.480 176.870 0.012 0.000 1.076 329 L CA 1.995 56.811 54.840 -0.040 0.000 0.772 329 L CB -1.115 40.841 42.059 -0.173 0.000 0.892 329 L HN 0.408 nan 8.230 nan 0.000 0.435 330 M N -1.514 118.106 119.600 0.034 0.000 2.446 330 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 330 M C 2.161 178.496 176.300 0.059 0.000 1.066 330 M CA 1.047 56.386 55.300 0.065 0.000 1.087 330 M CB -0.298 32.352 32.600 0.083 0.000 1.406 330 M HN 0.140 nan 8.290 nan 0.000 0.459 331 R N 0.476 121.006 120.500 0.049 0.000 2.115 331 R HA -0.053 4.287 4.340 -0.000 0.000 0.226 331 R C 1.696 178.019 176.300 0.040 0.000 1.100 331 R CA 1.072 57.196 56.100 0.041 0.000 0.980 331 R CB -0.055 30.269 30.300 0.039 0.000 0.875 331 R HN 0.379 nan 8.270 nan 0.000 0.445 332 L N -1.313 119.938 121.223 0.047 0.000 2.341 332 L HA 0.144 4.484 4.340 -0.000 0.000 0.214 332 L C 1.063 177.952 176.870 0.031 0.000 1.115 332 L CA 0.868 55.733 54.840 0.040 0.000 0.820 332 L CB 0.495 42.587 42.059 0.055 0.000 0.944 332 L HN 0.553 nan 8.230 nan 0.000 0.452 333 G N -0.897 107.925 108.800 0.037 0.000 2.161 333 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.140 333 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.140 333 G C 0.458 175.379 174.900 0.035 0.000 1.040 333 G CA 0.045 45.170 45.100 0.041 0.000 0.735 333 G HN 0.113 nan 8.290 nan 0.000 0.496 334 L N 0.380 121.621 121.223 0.031 0.000 2.042 334 L HA 0.086 4.425 4.340 -0.000 0.000 0.210 334 L C 2.272 179.169 176.870 0.045 0.000 1.076 334 L CA 3.091 57.934 54.840 0.004 0.000 0.749 334 L CB -0.296 41.748 42.059 -0.024 0.000 0.893 334 L HN 0.461 nan 8.230 nan 0.000 0.432 335 H N -1.383 117.700 119.070 0.021 0.000 2.457 335 H HA -0.163 4.393 4.556 -0.000 0.000 0.294 335 H C 2.196 177.549 175.328 0.041 0.000 1.064 335 H CA 1.618 57.695 56.048 0.047 0.000 1.330 335 H CB 0.136 29.942 29.762 0.074 0.000 1.395 335 H HN 0.504 nan 8.280 nan 0.000 0.541 336 Q N 0.430 120.259 119.800 0.047 0.000 2.167 336 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 336 Q C 2.095 178.063 176.000 -0.053 0.000 0.970 336 Q CA 1.904 57.706 55.803 -0.003 0.000 0.855 336 Q CB -0.105 28.654 28.738 0.035 0.000 0.911 336 Q HN 0.504 nan 8.270 nan 0.000 0.438 337 V N -3.001 116.882 119.914 -0.053 0.000 3.085 337 V HA 0.129 4.248 4.120 -0.000 0.000 0.245 337 V C 1.946 177.995 176.094 -0.075 0.000 1.114 337 V CA 0.567 62.832 62.300 -0.057 0.000 1.108 337 V CB -0.608 31.188 31.823 -0.046 0.000 0.798 337 V HN 0.250 nan 8.190 nan 0.000 0.471 338 L N 0.889 122.060 121.223 -0.087 0.000 2.349 338 L HA -0.123 4.217 4.340 -0.000 0.000 0.220 338 L C 2.636 179.461 176.870 -0.075 0.000 1.130 338 L CA 1.819 56.613 54.840 -0.076 0.000 0.791 338 L CB -0.646 41.393 42.059 -0.034 0.000 0.918 338 L HN 0.362 nan 8.230 nan 0.000 0.444 339 Q N -0.105 119.626 119.800 -0.115 0.000 2.030 339 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 339 Q C 2.054 178.023 176.000 -0.051 0.000 0.986 339 Q CA 2.209 57.958 55.803 -0.089 0.000 0.843 339 Q CB -0.369 28.309 28.738 -0.100 0.000 0.904 339 Q HN 0.661 nan 8.270 nan 0.000 0.420 340 E N 0.314 120.484 120.200 -0.050 0.000 2.338 340 E HA -0.114 4.236 4.350 -0.000 0.000 0.197 340 E C 1.192 177.773 176.600 -0.032 0.000 1.007 340 E CA 0.124 56.502 56.400 -0.036 0.000 0.849 340 E CB 0.027 29.707 29.700 -0.035 0.000 0.774 340 E HN 0.032 nan 8.360 nan 0.000 0.506 341 L N 0.591 121.791 121.223 -0.037 0.000 2.672 341 L HA 0.065 4.405 4.340 -0.000 0.000 0.236 341 L C 1.175 178.034 176.870 -0.019 0.000 1.186 341 L CA 0.688 55.508 54.840 -0.034 0.000 0.977 341 L CB -0.083 41.945 42.059 -0.052 0.000 1.203 341 L HN -0.043 nan 8.230 nan 0.000 0.448 342 R N -2.045 118.447 120.500 -0.014 0.000 2.470 342 R HA 0.108 4.447 4.340 -0.000 0.000 0.210 342 R C 1.555 177.850 176.300 -0.007 0.000 0.873 342 R CA 0.179 56.276 56.100 -0.005 0.000 1.015 342 R CB 0.133 30.434 30.300 0.002 0.000 1.348 342 R HN 0.240 nan 8.270 nan 0.000 0.650 343 E N 2.080 122.273 120.200 -0.011 0.000 2.097 343 E HA -0.157 4.192 4.350 -0.000 0.000 0.196 343 E C 0.427 177.021 176.600 -0.010 0.000 1.000 343 E CA 1.080 57.474 56.400 -0.011 0.000 0.804 343 E CB -0.187 29.505 29.700 -0.014 0.000 0.740 343 E HN 0.280 nan 8.360 nan 0.000 0.454 344 I N 0.487 121.050 120.570 -0.012 0.000 2.517 344 I HA 0.092 4.262 4.170 -0.000 0.000 0.285 344 I C -0.397 175.715 176.117 -0.008 0.000 1.106 344 I CA 0.027 61.321 61.300 -0.011 0.000 1.402 344 I CB 0.749 38.741 38.000 -0.014 0.000 1.399 344 I HN -0.140 nan 8.210 nan 0.000 0.535 345 E N 5.816 126.012 120.200 -0.007 0.000 2.130 345 E HA 0.342 4.692 4.350 -0.000 0.000 0.284 345 E C -1.054 175.543 176.600 -0.005 0.000 1.018 345 E CA -0.402 55.995 56.400 -0.005 0.000 0.817 345 E CB 1.363 31.061 29.700 -0.004 0.000 1.078 345 E HN 0.741 nan 8.360 nan 0.000 0.396 346 N N 1.467 120.165 118.700 -0.004 0.000 2.494 346 N HA 0.044 4.784 4.740 -0.000 0.000 0.270 346 N C 0.104 175.613 175.510 -0.002 0.000 1.285 346 N CA -0.342 52.705 53.050 -0.004 0.000 0.812 346 N CB 1.940 40.423 38.487 -0.006 0.000 1.557 346 N HN 0.356 nan 8.380 nan 0.000 0.487 347 E N 0.012 120.211 120.200 -0.002 0.000 2.127 347 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 347 E C -0.013 176.587 176.600 0.000 0.000 0.964 347 E CA 0.761 57.160 56.400 -0.001 0.000 0.832 347 E CB 0.277 29.977 29.700 -0.001 0.000 0.790 347 E HN 0.537 nan 8.360 nan 0.000 0.465 348 D N -0.116 120.283 120.400 -0.001 0.000 2.327 348 D HA -0.042 4.598 4.640 -0.000 0.000 0.205 348 D C 1.645 177.943 176.300 -0.002 0.000 0.989 348 D CA 0.342 54.341 54.000 -0.001 0.000 0.873 348 D CB 0.238 41.038 40.800 -0.001 0.000 0.955 348 D HN 0.175 nan 8.370 nan 0.000 0.515 349 M N 0.447 120.044 119.600 -0.005 0.000 2.254 349 M HA -0.002 4.478 4.480 -0.000 0.000 0.265 349 M C 0.877 177.176 176.300 -0.002 0.000 1.066 349 M CA 1.581 56.876 55.300 -0.009 0.000 1.123 349 M CB 0.191 32.783 32.600 -0.013 0.000 1.388 349 M HN -0.306 nan 8.290 nan 0.000 0.425 350 K N -0.747 119.655 120.400 0.003 0.000 2.493 350 K HA 0.257 4.577 4.320 -0.000 0.000 0.207 350 K C 0.549 177.157 176.600 0.013 0.000 1.033 350 K CA -0.222 56.071 56.287 0.010 0.000 1.161 350 K CB 0.505 33.009 32.500 0.007 0.000 0.873 350 K HN 0.157 nan 8.250 nan 0.000 0.491 351 V N 0.486 120.407 119.914 0.012 0.000 3.621 351 V HA -0.012 4.108 4.120 -0.000 0.000 0.285 351 V C 1.603 177.712 176.094 0.024 0.000 1.346 351 V CA 0.452 62.761 62.300 0.015 0.000 1.104 351 V CB 0.280 32.109 31.823 0.010 0.000 0.913 351 V HN 0.237 nan 8.190 nan 0.000 0.432 352 Q N 0.423 120.238 119.800 0.025 0.000 2.084 352 Q HA 0.149 4.489 4.340 -0.000 0.000 0.194 352 Q C 2.250 178.298 176.000 0.081 0.000 0.969 352 Q CA 1.227 57.050 55.803 0.034 0.000 0.829 352 Q CB -0.362 28.377 28.738 0.001 0.000 0.904 352 Q HN 0.501 nan 8.270 nan 0.000 0.464 353 L N -0.020 121.251 121.223 0.079 0.000 2.127 353 L HA -0.185 4.154 4.340 -0.000 0.000 0.211 353 L C 2.398 179.338 176.870 0.116 0.000 1.089 353 L CA 0.817 55.741 54.840 0.140 0.000 0.757 353 L CB -0.498 41.617 42.059 0.094 0.000 0.899 353 L HN 0.217 nan 8.230 nan 0.000 0.434 354 C N -1.194 118.146 119.300 0.065 0.000 2.511 354 C HA 0.046 4.506 4.460 -0.000 0.000 0.277 354 C C 2.230 177.243 174.990 0.038 0.000 1.451 354 C CA 0.376 59.417 59.018 0.038 0.000 1.735 354 C CB -0.892 26.861 27.740 0.022 0.000 1.704 354 C HN 0.385 nan 8.230 nan 0.000 0.571 355 V N -1.634 118.321 119.914 0.069 0.000 3.371 355 V HA 0.094 4.214 4.120 -0.000 0.000 0.246 355 V C 1.516 177.672 176.094 0.102 0.000 1.303 355 V CA 0.408 62.747 62.300 0.066 0.000 1.156 355 V CB -0.525 31.336 31.823 0.062 0.000 0.929 355 V HN 0.405 nan 8.190 nan 0.000 0.459 356 F N 2.239 122.184 119.950 -0.008 0.000 2.060 356 F HA -0.122 4.405 4.527 -0.000 0.000 0.295 356 F C 2.078 177.875 175.800 -0.005 0.000 1.120 356 F CA 2.127 60.122 58.000 -0.009 0.000 1.205 356 F CB -0.287 38.701 39.000 -0.019 0.000 0.986 356 F HN 0.171 nan 8.300 nan 0.000 0.470 357 D N 0.286 120.605 120.400 -0.135 0.000 2.144 357 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 357 D C 2.138 178.330 176.300 -0.180 0.000 0.984 357 D CA 1.464 55.327 54.000 -0.228 0.000 0.834 357 D CB -0.554 40.210 40.800 -0.059 0.000 0.955 357 D HN 0.541 nan 8.370 nan 0.000 0.465 358 E N 0.053 120.195 120.200 -0.096 0.000 2.160 358 E HA -0.263 4.086 4.350 -0.000 0.000 0.195 358 E C 1.901 178.450 176.600 -0.084 0.000 0.991 358 E CA 1.156 57.513 56.400 -0.071 0.000 0.810 358 E CB 0.188 29.869 29.700 -0.032 0.000 0.742 358 E HN 0.079 nan 8.360 nan 0.000 0.466 359 Q N -0.653 119.073 119.800 -0.122 0.000 2.084 359 Q HA 0.048 4.388 4.340 -0.000 0.000 0.194 359 Q C 2.060 177.966 176.000 -0.156 0.000 0.969 359 Q CA 1.602 57.342 55.803 -0.105 0.000 0.829 359 Q CB -0.583 28.117 28.738 -0.065 0.000 0.904 359 Q HN 0.308 nan 8.270 nan 0.000 0.464 360 G N -0.082 108.496 108.800 -0.370 0.000 2.516 360 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.221 360 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.221 360 G C 0.561 175.391 174.900 -0.117 0.000 1.107 360 G CA 1.426 46.319 45.100 -0.345 0.000 0.747 360 G HN 0.372 nan 8.290 nan 0.000 0.567 361 D N -0.670 119.671 120.400 -0.100 0.000 2.490 361 D HA 0.037 4.677 4.640 -0.000 0.000 0.244 361 D C 2.066 178.416 176.300 0.084 0.000 0.979 361 D CA 0.325 54.312 54.000 -0.020 0.000 0.924 361 D CB -0.278 40.469 40.800 -0.088 0.000 1.075 361 D HN 0.338 nan 8.370 nan 0.000 0.488 362 E N 0.295 120.514 120.200 0.032 0.000 2.472 362 E HA -0.144 4.206 4.350 -0.000 0.000 0.200 362 E C 0.489 177.170 176.600 0.136 0.000 1.046 362 E CA 0.651 57.091 56.400 0.066 0.000 0.871 362 E CB 0.279 29.981 29.700 0.003 0.000 0.806 362 E HN 0.138 nan 8.360 nan 0.000 0.533 363 D N -0.357 120.119 120.400 0.127 0.000 2.232 363 D HA -0.082 4.557 4.640 -0.000 0.000 0.220 363 D C 1.455 177.871 176.300 0.193 0.000 0.982 363 D CA 0.387 54.466 54.000 0.131 0.000 0.892 363 D CB -0.607 40.241 40.800 0.079 0.000 1.040 363 D HN 0.157 nan 8.370 nan 0.000 0.463 364 F N 0.835 120.813 119.950 0.046 0.000 2.063 364 F HA -0.364 4.162 4.527 -0.000 0.000 0.297 364 F C 2.179 178.030 175.800 0.085 0.000 1.099 364 F CA 1.545 59.578 58.000 0.054 0.000 1.220 364 F CB -0.214 38.814 39.000 0.048 0.000 0.972 364 F HN -0.063 nan 8.300 nan 0.000 0.487 365 F N 1.362 121.544 119.950 0.386 0.000 2.010 365 F HA -0.279 4.248 4.527 -0.000 0.000 0.296 365 F C 2.366 178.240 175.800 0.123 0.000 1.146 365 F CA 2.308 60.451 58.000 0.239 0.000 1.181 365 F CB -1.026 38.050 39.000 0.125 0.000 0.965 365 F HN -0.061 nan 8.300 nan 0.000 0.480 366 D N 0.199 120.811 120.400 0.353 0.000 2.203 366 D HA -0.205 4.435 4.640 -0.000 0.000 0.199 366 D C 2.075 178.380 176.300 0.008 0.000 0.997 366 D CA 1.131 55.238 54.000 0.178 0.000 0.863 366 D CB -0.353 40.569 40.800 0.203 0.000 0.928 366 D HN 0.300 nan 8.370 nan 0.000 0.458 367 L N 0.407 121.626 121.223 -0.007 0.000 2.156 367 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 367 L C 2.050 178.837 176.870 -0.138 0.000 1.095 367 L CA 1.393 56.189 54.840 -0.074 0.000 0.770 367 L CB -0.152 41.844 42.059 -0.105 0.000 0.914 367 L HN -0.145 nan 8.230 nan 0.000 0.439 368 K N -0.495 119.792 120.400 -0.189 0.000 2.025 368 K HA -0.039 4.280 4.320 -0.000 0.000 0.207 368 K C 2.031 178.516 176.600 -0.192 0.000 1.049 368 K CA 1.207 57.372 56.287 -0.203 0.000 0.933 368 K CB -0.995 31.387 32.500 -0.198 0.000 0.714 368 K HN 0.466 nan 8.250 nan 0.000 0.438 369 G N 1.652 110.301 108.800 -0.252 0.000 2.507 369 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.221 369 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.221 369 G C 1.708 176.547 174.900 -0.103 0.000 1.119 369 G CA 0.899 45.884 45.100 -0.191 0.000 0.751 369 G HN 0.283 nan 8.290 nan 0.000 0.574 370 R N -0.578 119.870 120.500 -0.085 0.000 2.075 370 R HA 0.161 4.501 4.340 -0.000 0.000 0.220 370 R C 2.549 178.812 176.300 -0.061 0.000 1.118 370 R CA 0.873 56.940 56.100 -0.055 0.000 0.986 370 R CB -0.309 29.969 30.300 -0.036 0.000 0.884 370 R HN 0.385 nan 8.270 nan 0.000 0.439 371 L N 1.425 122.600 121.223 -0.081 0.000 2.046 371 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 371 L C 1.384 178.210 176.870 -0.073 0.000 1.077 371 L CA 1.989 56.782 54.840 -0.078 0.000 0.747 371 L CB -0.432 41.566 42.059 -0.102 0.000 0.896 371 L HN 0.077 nan 8.230 nan 0.000 0.432 372 D N 0.205 120.554 120.400 -0.084 0.000 2.092 372 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 372 D C 1.806 178.072 176.300 -0.058 0.000 0.994 372 D CA 1.845 55.801 54.000 -0.073 0.000 0.828 372 D CB -0.355 40.394 40.800 -0.085 0.000 0.963 372 D HN 0.489 nan 8.370 nan 0.000 0.450 373 D N -0.270 120.098 120.400 -0.054 0.000 2.133 373 D HA -0.163 4.477 4.640 -0.000 0.000 0.192 373 D C 1.943 178.219 176.300 -0.041 0.000 1.001 373 D CA 0.737 54.712 54.000 -0.042 0.000 0.844 373 D CB -0.147 40.632 40.800 -0.035 0.000 0.944 373 D HN 0.137 nan 8.370 nan 0.000 0.447 374 I N 0.549 121.093 120.570 -0.043 0.000 2.614 374 I HA -0.158 4.011 4.170 -0.000 0.000 0.258 374 I C 2.037 178.123 176.117 -0.051 0.000 1.189 374 I CA 0.945 62.220 61.300 -0.041 0.000 1.462 374 I CB -0.071 37.909 38.000 -0.034 0.000 1.092 374 I HN 0.009 nan 8.210 nan 0.000 0.442 375 R N -0.675 119.792 120.500 -0.054 0.000 2.115 375 R HA -0.037 4.303 4.340 -0.000 0.000 0.226 375 R C 2.083 178.348 176.300 -0.059 0.000 1.100 375 R CA 1.042 57.107 56.100 -0.059 0.000 0.980 375 R CB -0.309 29.958 30.300 -0.054 0.000 0.875 375 R HN 0.334 nan 8.270 nan 0.000 0.445 376 M N 0.605 120.174 119.600 -0.051 0.000 2.073 376 M HA -0.083 4.396 4.480 -0.000 0.000 0.259 376 M C 1.895 178.164 176.300 -0.051 0.000 1.079 376 M CA 1.717 56.988 55.300 -0.047 0.000 1.131 376 M CB -0.479 32.098 32.600 -0.038 0.000 1.316 376 M HN -0.038 nan 8.290 nan 0.000 0.415 377 E N 0.352 120.523 120.200 -0.047 0.000 2.017 377 E HA -0.078 4.271 4.350 -0.000 0.000 0.193 377 E C 1.361 177.923 176.600 -0.063 0.000 0.997 377 E CA 1.067 57.439 56.400 -0.047 0.000 0.804 377 E CB -0.222 29.456 29.700 -0.037 0.000 0.757 377 E HN 0.288 nan 8.360 nan 0.000 0.448 378 M N 1.973 121.532 119.600 -0.069 0.000 3.520 378 M HA -0.041 4.439 4.480 -0.000 0.000 0.188 378 M C -0.276 175.941 176.300 -0.137 0.000 1.400 378 M CA 0.171 55.415 55.300 -0.094 0.000 1.553 378 M CB -0.249 32.306 32.600 -0.075 0.000 1.333 378 M HN 0.063 nan 8.290 nan 0.000 0.452 379 D N -1.811 118.513 120.400 -0.128 0.000 2.371 379 D HA -0.044 4.596 4.640 -0.000 0.000 0.221 379 D C -0.035 176.141 176.300 -0.207 0.000 0.986 379 D CA 0.436 54.349 54.000 -0.145 0.000 0.899 379 D CB 0.217 40.956 40.800 -0.102 0.000 0.902 379 D HN 0.184 nan 8.370 nan 0.000 0.530 380 D N -1.699 118.560 120.400 -0.234 0.000 2.819 380 D HA 0.200 4.839 4.640 -0.000 0.000 0.232 380 D C 0.018 176.110 176.300 -0.347 0.000 1.160 380 D CA -0.899 52.953 54.000 -0.246 0.000 0.858 380 D CB 1.062 41.779 40.800 -0.139 0.000 1.610 380 D HN -0.100 nan 8.370 nan 0.000 0.481 381 F N 1.440 121.201 119.950 -0.315 0.000 2.126 381 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 381 F C 2.400 177.699 175.800 -0.835 0.000 1.096 381 F CA 1.606 59.216 58.000 -0.651 0.000 1.255 381 F CB -0.056 38.555 39.000 -0.649 0.000 0.997 381 F HN 0.573 nan 8.300 nan 0.000 0.479 382 G N -0.062 108.583 108.800 -0.258 0.000 2.529 382 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 382 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 382 G C 1.514 176.351 174.900 -0.106 0.000 1.177 382 G CA 1.207 46.231 45.100 -0.127 0.000 0.773 382 G HN 0.230 nan 8.290 nan 0.000 0.573 383 E N 0.227 120.356 120.200 -0.118 0.000 2.153 383 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 383 E C 2.789 179.351 176.600 -0.064 0.000 0.988 383 E CA 0.518 56.871 56.400 -0.077 0.000 0.811 383 E CB -0.619 29.030 29.700 -0.086 0.000 0.746 383 E HN 0.354 nan 8.360 nan 0.000 0.466 384 V N 0.841 120.679 119.914 -0.126 0.000 2.255 384 V HA -0.208 3.912 4.120 -0.000 0.000 0.243 384 V C 2.071 178.243 176.094 0.129 0.000 1.038 384 V CA 1.493 63.775 62.300 -0.031 0.000 1.008 384 V CB -0.512 31.279 31.823 -0.052 0.000 0.645 384 V HN 0.084 nan 8.190 nan 0.000 0.449 385 F N 0.818 120.815 119.950 0.079 0.000 2.095 385 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 385 F C 2.595 178.395 175.800 0.000 0.000 1.104 385 F CA 1.584 59.607 58.000 0.038 0.000 1.232 385 F CB -1.598 37.429 39.000 0.045 0.000 0.987 385 F HN 0.265 nan 8.300 nan 0.000 0.475 386 Q N 0.874 120.787 119.800 0.189 0.000 2.142 386 Q HA -0.239 4.101 4.340 -0.000 0.000 0.213 386 Q C 1.945 177.976 176.000 0.050 0.000 1.004 386 Q CA 2.558 58.414 55.803 0.087 0.000 0.883 386 Q CB -0.689 28.076 28.738 0.045 0.000 0.939 386 Q HN 0.515 nan 8.270 nan 0.000 0.413 387 I N -0.498 120.097 120.570 0.042 0.000 2.339 387 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 387 I C 2.326 178.426 176.117 -0.028 0.000 1.096 387 I CA 0.762 62.067 61.300 0.008 0.000 1.408 387 I CB -0.336 37.668 38.000 0.007 0.000 1.092 387 I HN 0.306 nan 8.210 nan 0.000 0.423 388 I N 1.104 121.657 120.570 -0.028 0.000 2.143 388 I HA -0.383 3.787 4.170 -0.000 0.000 0.245 388 I C 2.486 178.520 176.117 -0.139 0.000 1.068 388 I CA 1.894 63.104 61.300 -0.149 0.000 1.326 388 I CB -0.298 37.663 38.000 -0.065 0.000 1.028 388 I HN 0.226 nan 8.210 nan 0.000 0.412 389 L N -0.065 121.126 121.223 -0.053 0.000 2.109 389 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 389 L C 2.163 179.003 176.870 -0.050 0.000 1.086 389 L CA 0.991 55.798 54.840 -0.054 0.000 0.760 389 L CB -0.663 41.384 42.059 -0.021 0.000 0.910 389 L HN 0.292 nan 8.230 nan 0.000 0.437 390 N N -0.664 118.014 118.700 -0.035 0.000 2.270 390 N HA -0.097 4.643 4.740 -0.000 0.000 0.181 390 N C 1.795 177.283 175.510 -0.037 0.000 1.016 390 N CA 1.918 54.951 53.050 -0.028 0.000 0.870 390 N CB -0.040 38.438 38.487 -0.014 0.000 0.979 390 N HN 0.475 nan 8.380 nan 0.000 0.431 391 T N -3.634 110.886 114.554 -0.057 0.000 2.989 391 T HA 0.163 4.513 4.350 -0.000 0.000 0.250 391 T C 1.078 175.729 174.700 -0.083 0.000 0.981 391 T CA -0.084 61.983 62.100 -0.055 0.000 0.980 391 T CB -0.143 68.701 68.868 -0.040 0.000 1.133 391 T HN -0.133 nan 8.240 nan 0.000 0.489 392 V N 1.759 121.579 119.914 -0.158 0.000 3.023 392 V HA 0.466 4.586 4.120 -0.000 0.000 0.384 392 V C 1.338 177.329 176.094 -0.172 0.000 1.289 392 V CA -0.039 62.129 62.300 -0.221 0.000 1.383 392 V CB -0.346 31.137 31.823 -0.566 0.000 1.388 392 V HN 0.424 nan 8.190 nan 0.000 0.551 393 K N 0.319 120.658 120.400 -0.103 0.000 2.354 393 K HA 0.181 4.500 4.320 -0.000 0.000 0.210 393 K C -0.109 176.459 176.600 -0.053 0.000 1.184 393 K CA 0.226 56.465 56.287 -0.081 0.000 0.880 393 K CB 0.810 33.267 32.500 -0.072 0.000 1.328 393 K HN 0.361 nan 8.250 nan 0.000 0.466 394 D N 1.981 122.357 120.400 -0.041 0.000 2.551 394 D HA 0.167 4.806 4.640 -0.000 0.000 0.294 394 D C -1.303 174.985 176.300 -0.020 0.000 1.201 394 D CA -0.037 53.946 54.000 -0.029 0.000 0.941 394 D CB 1.228 42.013 40.800 -0.025 0.000 0.995 394 D HN 0.181 nan 8.370 nan 0.000 0.502 395 S N -1.114 114.575 115.700 -0.018 0.000 2.563 395 S HA 0.246 4.716 4.470 -0.000 0.000 0.279 395 S C 0.565 175.167 174.600 0.004 0.000 1.155 395 S CA -0.928 57.271 58.200 -0.003 0.000 0.928 395 S CB 2.363 65.564 63.200 0.001 0.000 1.107 395 S HN -0.026 nan 8.310 nan 0.000 0.462 396 K N 1.170 121.577 120.400 0.012 0.000 2.442 396 K HA -0.107 4.213 4.320 -0.000 0.000 0.200 396 K C 1.969 178.580 176.600 0.018 0.000 1.045 396 K CA 1.255 57.544 56.287 0.004 0.000 0.937 396 K CB -0.417 32.094 32.500 0.019 0.000 0.757 396 K HN 0.786 nan 8.250 nan 0.000 0.474 397 A N 1.020 123.885 122.820 0.075 0.000 2.121 397 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 397 A C 1.889 179.558 177.584 0.141 0.000 1.154 397 A CA 1.154 53.292 52.037 0.167 0.000 0.679 397 A CB -0.280 18.806 19.000 0.143 0.000 0.795 397 A HN 0.384 nan 8.150 nan 0.000 0.458 398 E N 0.142 120.365 120.200 0.038 0.000 2.033 398 E HA -0.191 4.158 4.350 -0.000 0.000 0.199 398 E C -0.627 175.998 176.600 0.042 0.000 1.011 398 E CA 1.837 58.251 56.400 0.023 0.000 0.815 398 E CB -0.581 29.103 29.700 -0.028 0.000 0.755 398 E HN 0.510 nan 8.360 nan 0.000 0.451 399 P HA -0.128 nan 4.420 nan 0.000 0.229 399 P C 0.856 178.123 177.300 -0.053 0.000 1.160 399 P CA 1.179 64.221 63.100 -0.096 0.000 0.777 399 P CB -0.058 31.528 31.700 -0.190 0.000 0.814 400 H N -0.755 118.368 119.070 0.089 0.000 2.261 400 H HA -0.045 4.511 4.556 -0.000 0.000 0.301 400 H C 2.032 177.431 175.328 0.120 0.000 1.067 400 H CA 1.009 57.111 56.048 0.090 0.000 1.297 400 H CB -1.360 28.450 29.762 0.080 0.000 1.377 400 H HN 0.086 nan 8.280 nan 0.000 0.492 401 F N 1.070 121.110 119.950 0.149 0.000 2.065 401 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 401 F C 2.510 178.345 175.800 0.058 0.000 1.112 401 F CA 0.810 58.866 58.000 0.092 0.000 1.212 401 F CB -0.278 38.763 39.000 0.069 0.000 0.975 401 F HN 0.038 nan 8.300 nan 0.000 0.476 402 L N 0.592 122.011 121.223 0.327 0.000 2.034 402 L HA -0.305 4.034 4.340 -0.000 0.000 0.217 402 L C 2.676 179.581 176.870 0.057 0.000 1.077 402 L CA 2.491 57.428 54.840 0.161 0.000 0.769 402 L CB -1.643 40.459 42.059 0.071 0.000 0.890 402 L HN 0.422 nan 8.230 nan 0.000 0.435 403 S N -0.786 114.934 115.700 0.034 0.000 2.348 403 S HA -0.197 4.272 4.470 -0.000 0.000 0.221 403 S C 2.149 176.704 174.600 -0.074 0.000 1.033 403 S CA 1.423 59.579 58.200 -0.074 0.000 1.010 403 S CB -1.044 62.181 63.200 0.043 0.000 0.891 403 S HN 0.494 nan 8.310 nan 0.000 0.442 404 I N 2.223 122.830 120.570 0.061 0.000 2.091 404 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 404 I C 2.598 178.740 176.117 0.040 0.000 1.046 404 I CA 1.818 63.159 61.300 0.068 0.000 1.306 404 I CB -0.713 37.192 38.000 -0.158 0.000 1.018 404 I HN 0.275 nan 8.210 nan 0.000 0.404 405 L N -0.046 121.175 121.223 -0.003 0.000 2.043 405 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 405 L C 2.756 179.643 176.870 0.028 0.000 1.075 405 L CA 1.587 56.459 54.840 0.053 0.000 0.752 405 L CB -0.743 41.392 42.059 0.127 0.000 0.891 405 L HN 0.401 nan 8.230 nan 0.000 0.432 406 Q N -0.921 118.842 119.800 -0.061 0.000 2.124 406 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 406 Q C 2.053 177.992 176.000 -0.102 0.000 0.977 406 Q CA 1.665 57.397 55.803 -0.119 0.000 0.850 406 Q CB -0.291 28.313 28.738 -0.223 0.000 0.901 406 Q HN 0.661 nan 8.270 nan 0.000 0.429 407 H N 0.613 119.700 119.070 0.029 0.000 2.321 407 H HA -0.089 4.466 4.556 -0.000 0.000 0.300 407 H C 2.197 177.546 175.328 0.035 0.000 1.087 407 H CA 1.238 57.300 56.048 0.024 0.000 1.319 407 H CB -0.070 29.704 29.762 0.019 0.000 1.379 407 H HN 0.081 nan 8.280 nan 0.000 0.501 408 L N 0.174 121.511 121.223 0.190 0.000 2.043 408 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 408 L C 1.607 178.612 176.870 0.225 0.000 1.075 408 L CA 1.112 56.080 54.840 0.213 0.000 0.752 408 L CB -0.332 41.865 42.059 0.231 0.000 0.891 408 L HN 0.267 nan 8.230 nan 0.000 0.432 409 L N -0.747 120.566 121.223 0.150 0.000 2.627 409 L HA -0.007 4.333 4.340 -0.000 0.000 0.232 409 L C 1.914 178.824 176.870 0.066 0.000 1.150 409 L CA -0.098 54.821 54.840 0.132 0.000 0.917 409 L CB -0.016 42.087 42.059 0.073 0.000 1.104 409 L HN 0.235 nan 8.230 nan 0.000 0.445 410 L N -0.747 120.490 121.223 0.024 0.000 2.068 410 L HA -0.034 4.305 4.340 -0.000 0.000 0.204 410 L C 0.915 177.734 176.870 -0.085 0.000 1.076 410 L CA 0.236 55.062 54.840 -0.023 0.000 0.753 410 L CB 0.071 42.125 42.059 -0.008 0.000 0.910 410 L HN -0.000 nan 8.230 nan 0.000 0.439 411 V N 2.530 122.318 119.914 -0.210 0.000 2.484 411 V HA -0.111 4.009 4.120 -0.000 0.000 0.276 411 V C 0.927 176.959 176.094 -0.104 0.000 0.976 411 V CA -0.028 62.081 62.300 -0.318 0.000 1.141 411 V CB -1.347 30.022 31.823 -0.757 0.000 0.975 411 V HN 0.413 nan 8.190 nan 0.000 0.466 412 R N 4.119 124.580 120.500 -0.066 0.000 2.873 412 R HA 0.014 4.353 4.340 -0.000 0.000 0.267 412 R C 0.984 177.317 176.300 0.054 0.000 1.009 412 R CA 0.023 56.124 56.100 0.001 0.000 1.152 412 R CB 0.282 30.580 30.300 -0.003 0.000 1.047 412 R HN 0.550 nan 8.270 nan 0.000 0.470 413 N N 1.181 119.915 118.700 0.057 0.000 2.000 413 N HA -0.170 4.570 4.740 -0.000 0.000 0.198 413 N C 0.662 176.230 175.510 0.096 0.000 1.057 413 N CA 2.054 55.147 53.050 0.071 0.000 0.858 413 N CB -0.464 38.050 38.487 0.044 0.000 1.057 413 N HN 0.633 nan 8.380 nan 0.000 0.423 414 D N -0.376 120.076 120.400 0.087 0.000 2.371 414 D HA -0.128 4.512 4.640 -0.000 0.000 0.234 414 D C 0.229 176.608 176.300 0.132 0.000 1.049 414 D CA 0.016 54.067 54.000 0.085 0.000 0.907 414 D CB -0.823 40.014 40.800 0.063 0.000 0.891 414 D HN 0.302 nan 8.370 nan 0.000 0.531 415 Y N 2.499 122.812 120.300 0.021 0.000 2.697 415 Y HA -0.027 4.523 4.550 -0.000 0.000 0.349 415 Y C 1.478 177.406 175.900 0.047 0.000 1.120 415 Y CA -0.563 57.555 58.100 0.030 0.000 1.468 415 Y CB 0.230 38.701 38.460 0.018 0.000 1.182 415 Y HN -0.105 nan 8.280 nan 0.000 0.525 416 E N 4.076 124.133 120.200 -0.239 0.000 2.114 416 E HA -0.239 4.110 4.350 -0.000 0.000 0.199 416 E C 1.151 177.531 176.600 -0.368 0.000 1.008 416 E CA 1.477 57.731 56.400 -0.242 0.000 0.810 416 E CB 0.038 29.639 29.700 -0.164 0.000 0.739 416 E HN 0.796 nan 8.360 nan 0.000 0.456 417 A N 0.237 122.573 122.820 -0.805 0.000 2.415 417 A HA 0.139 4.458 4.320 -0.000 0.000 0.248 417 A C 1.552 178.957 177.584 -0.299 0.000 1.299 417 A CA -0.106 51.613 52.037 -0.531 0.000 0.899 417 A CB -0.124 18.605 19.000 -0.453 0.000 0.997 417 A HN 0.124 nan 8.150 nan 0.000 0.506 418 R N 1.114 121.491 120.500 -0.206 0.000 2.103 418 R HA -0.122 4.217 4.340 -0.000 0.000 0.242 418 R C -0.739 175.740 176.300 0.298 0.000 1.142 418 R CA 2.318 58.547 56.100 0.216 0.000 0.960 418 R CB -0.850 29.593 30.300 0.238 0.000 0.858 418 R HN 0.423 nan 8.270 nan 0.000 0.439 419 P HA -0.163 nan 4.420 nan 0.000 0.215 419 P C 0.799 178.214 177.300 0.192 0.000 1.157 419 P CA 1.468 64.672 63.100 0.174 0.000 0.868 419 P CB -0.047 31.700 31.700 0.079 0.000 0.788 420 Q N -1.283 118.593 119.800 0.127 0.000 2.061 420 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 420 Q C 2.323 178.430 176.000 0.178 0.000 0.984 420 Q CA 1.522 57.391 55.803 0.110 0.000 0.846 420 Q CB -1.486 27.280 28.738 0.048 0.000 0.902 420 Q HN 0.248 nan 8.270 nan 0.000 0.421 421 Y N -0.279 120.080 120.300 0.097 0.000 2.053 421 Y HA -0.324 4.225 4.550 -0.000 0.000 0.277 421 Y C 1.828 177.735 175.900 0.012 0.000 1.159 421 Y CA 1.711 59.856 58.100 0.074 0.000 1.125 421 Y CB -0.723 37.816 38.460 0.131 0.000 0.969 421 Y HN 0.200 nan 8.280 nan 0.000 0.492 422 Y N 0.323 120.885 120.300 0.437 0.000 2.274 422 Y HA -0.229 4.321 4.550 -0.000 0.000 0.290 422 Y C 2.661 178.660 175.900 0.165 0.000 1.145 422 Y CA 1.859 60.128 58.100 0.282 0.000 1.203 422 Y CB -0.373 38.187 38.460 0.167 0.000 0.984 422 Y HN 0.122 nan 8.280 nan 0.000 0.533 423 K N 0.673 121.236 120.400 0.272 0.000 2.044 423 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 423 K C 1.816 178.475 176.600 0.098 0.000 1.049 423 K CA 1.636 58.012 56.287 0.148 0.000 0.927 423 K CB -0.411 32.153 32.500 0.105 0.000 0.713 423 K HN 0.298 nan 8.250 nan 0.000 0.443 424 L N 0.784 122.047 121.223 0.067 0.000 1.994 424 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 424 L C 2.477 179.348 176.870 0.001 0.000 1.071 424 L CA 1.516 56.350 54.840 -0.011 0.000 0.745 424 L CB -0.532 41.456 42.059 -0.118 0.000 0.892 424 L HN 0.300 nan 8.230 nan 0.000 0.431 425 I N -0.958 119.635 120.570 0.038 0.000 2.394 425 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 425 I C 2.605 178.769 176.117 0.079 0.000 1.136 425 I CA 0.716 62.053 61.300 0.061 0.000 1.425 425 I CB -0.566 37.510 38.000 0.127 0.000 1.079 425 I HN 0.360 nan 8.210 nan 0.000 0.425 426 E N 1.870 122.137 120.200 0.111 0.000 2.082 426 E HA -0.313 4.036 4.350 -0.000 0.000 0.215 426 E C 1.950 178.576 176.600 0.042 0.000 1.048 426 E CA 2.145 58.596 56.400 0.084 0.000 0.869 426 E CB -0.148 29.605 29.700 0.088 0.000 0.773 426 E HN 0.537 nan 8.360 nan 0.000 0.466 427 E N -0.736 119.482 120.200 0.030 0.000 2.150 427 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 427 E C 2.340 178.941 176.600 0.002 0.000 0.985 427 E CA 1.086 57.492 56.400 0.010 0.000 0.814 427 E CB -0.058 29.642 29.700 0.001 0.000 0.752 427 E HN 0.353 nan 8.360 nan 0.000 0.466 428 C N -0.240 119.061 119.300 0.002 0.000 2.440 428 C HA -0.164 4.296 4.460 -0.000 0.000 0.282 428 C C 2.658 177.647 174.990 -0.001 0.000 1.223 428 C CA 0.849 59.864 59.018 -0.004 0.000 1.744 428 C CB -1.138 26.597 27.740 -0.009 0.000 2.061 428 C HN 0.367 nan 8.230 nan 0.000 0.456 429 V N 2.267 122.185 119.914 0.007 0.000 2.332 429 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 429 V C 2.635 178.726 176.094 -0.005 0.000 1.055 429 V CA 3.012 65.312 62.300 0.001 0.000 1.038 429 V CB -0.800 31.028 31.823 0.008 0.000 0.651 429 V HN 0.780 nan 8.190 nan 0.000 0.450 430 S N -0.931 114.768 115.700 -0.001 0.000 2.368 430 S HA -0.325 4.144 4.470 -0.000 0.000 0.225 430 S C 1.979 176.576 174.600 -0.005 0.000 1.030 430 S CA 1.858 60.050 58.200 -0.012 0.000 0.999 430 S CB -0.706 62.490 63.200 -0.006 0.000 0.844 430 S HN 0.761 nan 8.310 nan 0.000 0.459 431 Q N 0.702 120.507 119.800 0.008 0.000 2.096 431 Q HA -0.023 4.316 4.340 -0.000 0.000 0.204 431 Q C 2.268 178.284 176.000 0.027 0.000 0.982 431 Q CA 1.806 57.628 55.803 0.031 0.000 0.850 431 Q CB -0.439 28.297 28.738 -0.003 0.000 0.901 431 Q HN 0.670 nan 8.270 nan 0.000 0.422 432 I N -0.284 120.289 120.570 0.004 0.000 2.202 432 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 432 I C 2.075 178.191 176.117 -0.002 0.000 1.091 432 I CA 0.914 62.215 61.300 0.001 0.000 1.368 432 I CB -0.177 37.821 38.000 -0.003 0.000 1.058 432 I HN 0.043 nan 8.210 nan 0.000 0.410 433 V N -0.004 119.898 119.914 -0.019 0.000 2.649 433 V HA -0.100 4.020 4.120 -0.000 0.000 0.248 433 V C 2.029 178.079 176.094 -0.074 0.000 1.054 433 V CA 1.199 63.477 62.300 -0.037 0.000 1.073 433 V CB -0.304 31.492 31.823 -0.046 0.000 0.699 433 V HN 0.325 nan 8.190 nan 0.000 0.463 434 L N -1.922 119.244 121.223 -0.095 0.000 2.379 434 L HA 0.233 4.573 4.340 -0.000 0.000 0.190 434 L C 1.639 178.502 176.870 -0.011 0.000 1.111 434 L CA 0.339 55.047 54.840 -0.220 0.000 0.820 434 L CB -0.204 41.611 42.059 -0.407 0.000 1.046 434 L HN 0.347 nan 8.230 nan 0.000 0.485 435 H N 0.000 119.094 119.070 0.040 0.000 2.539 435 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 435 H CA 0.000 56.143 56.048 0.158 0.000 1.023 435 H CB 0.000 29.811 29.762 0.082 0.000 1.292 435 H HN 0.000 nan 8.280 nan 0.000 0.496