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 1fzf_1_C DATA FIRST_RESID 102 DATA SEQUENCE THDSSIRYLQ EIYNSNNQKI VNLKEKVAQL EAQCQEPCKD TVQIHDITGK DATA SEQUENCE DcQDIANKGA KQSGLYFIKP LKANQQFLVY cEIDGSGNGW TVFQKRLDGS DATA SEQUENCE VDFKKNWIQY KEGFGHLSPT GTTEFWLGNE KIHLISTQSA IPYALRVELE DATA SEQUENCE DWNGRTSTAD YAMFKVGPEA DKYRLTYAYF AGGDAGDAFD GFDFGDDPSD DATA SEQUENCE KFFTSHNGMQ FSTWDNDNDK FEGNcAEQDG SGWWMNKcHA GHLNGVYYQG DATA SEQUENCE GTYSKASTPN GYDNGIIWAT WKTRWYSMKK TTMKIIPFNR LT 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 102 T HA 0.000 nan 4.350 nan 0.000 0.228 102 T C 0.000 174.753 174.700 0.088 0.000 1.109 102 T CA 0.000 62.124 62.100 0.040 0.000 1.349 102 T CB 0.000 68.886 68.868 0.031 0.000 0.612 103 H N 0.485 119.541 119.070 -0.023 0.000 3.186 103 H HA 0.304 4.860 4.556 -0.000 0.000 0.219 103 H C 0.611 175.901 175.328 -0.063 0.000 1.393 103 H CA -0.346 55.686 56.048 -0.027 0.000 1.183 103 H CB 0.043 29.799 29.762 -0.009 0.000 2.346 103 H HN 0.758 nan 8.280 nan 0.000 0.535 104 D N -0.767 119.649 120.400 0.027 0.000 2.269 104 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 104 D C 1.465 177.641 176.300 -0.206 0.000 0.963 104 D CA 1.013 54.960 54.000 -0.089 0.000 0.864 104 D CB 0.114 40.879 40.800 -0.058 0.000 0.936 104 D HN 0.361 nan 8.370 nan 0.000 0.505 105 S N 0.801 116.400 115.700 -0.169 0.000 2.387 105 S HA -0.211 4.259 4.470 -0.000 0.000 0.230 105 S C 2.166 176.109 174.600 -1.096 0.000 1.035 105 S CA 1.401 59.365 58.200 -0.394 0.000 1.014 105 S CB -0.604 62.586 63.200 -0.017 0.000 0.836 105 S HN 0.236 nan 8.310 nan 0.000 0.466 106 S N 2.643 117.889 115.700 -0.757 0.000 2.351 106 S HA -0.058 4.412 4.470 -0.000 0.000 0.220 106 S C 1.801 176.096 174.600 -0.508 0.000 1.035 106 S CA 1.610 59.418 58.200 -0.653 0.000 1.031 106 S CB -0.689 62.157 63.200 -0.591 0.000 0.928 106 S HN 0.464 nan 8.310 nan 0.000 0.433 107 I N 2.004 122.356 120.570 -0.363 0.000 2.185 107 I HA -0.253 3.917 4.170 -0.000 0.000 0.246 107 I C 2.446 178.429 176.117 -0.223 0.000 1.088 107 I CA 1.430 62.594 61.300 -0.227 0.000 1.347 107 I CB -0.607 37.288 38.000 -0.174 0.000 1.041 107 I HN 0.173 nan 8.210 nan 0.000 0.415 108 R N -0.592 119.705 120.500 -0.339 0.000 2.094 108 R HA -0.235 4.105 4.340 -0.000 0.000 0.239 108 R C 2.424 178.671 176.300 -0.088 0.000 1.137 108 R CA 2.018 57.976 56.100 -0.237 0.000 0.943 108 R CB -0.787 29.330 30.300 -0.304 0.000 0.850 108 R HN 0.326 nan 8.270 nan 0.000 0.433 109 Y N 0.747 121.037 120.300 -0.017 0.000 2.097 109 Y HA -0.194 4.356 4.550 -0.000 0.000 0.282 109 Y C 2.249 178.152 175.900 0.004 0.000 1.152 109 Y CA 0.606 58.703 58.100 -0.005 0.000 1.136 109 Y CB -1.020 37.433 38.460 -0.012 0.000 0.975 109 Y HN -0.051 nan 8.280 nan 0.000 0.498 110 L N 0.262 121.557 121.223 0.119 0.000 1.989 110 L HA -0.253 4.087 4.340 -0.000 0.000 0.211 110 L C 2.670 179.588 176.870 0.081 0.000 1.071 110 L CA 1.912 56.798 54.840 0.078 0.000 0.749 110 L CB -1.542 40.525 42.059 0.013 0.000 0.890 110 L HN 0.322 nan 8.230 nan 0.000 0.431 111 Q N -0.482 119.332 119.800 0.023 0.000 2.112 111 Q HA -0.259 4.081 4.340 -0.000 0.000 0.206 111 Q C 2.046 178.115 176.000 0.116 0.000 0.987 111 Q CA 2.015 57.832 55.803 0.023 0.000 0.858 111 Q CB 0.025 28.745 28.738 -0.029 0.000 0.905 111 Q HN 0.600 nan 8.270 nan 0.000 0.420 112 E N -0.076 120.187 120.200 0.105 0.000 2.017 112 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 112 E C 1.984 178.655 176.600 0.118 0.000 0.997 112 E CA 1.310 57.777 56.400 0.112 0.000 0.804 112 E CB -0.101 29.672 29.700 0.120 0.000 0.757 112 E HN 0.307 nan 8.360 nan 0.000 0.448 113 I N 0.597 121.241 120.570 0.123 0.000 2.335 113 I HA -0.264 3.906 4.170 -0.000 0.000 0.251 113 I C 2.142 178.328 176.117 0.115 0.000 1.129 113 I CA 1.098 62.458 61.300 0.099 0.000 1.402 113 I CB -0.526 37.529 38.000 0.091 0.000 1.069 113 I HN 0.177 nan 8.210 nan 0.000 0.424 114 Y N 1.808 122.119 120.300 0.018 0.000 2.097 114 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 114 Y C 2.357 178.262 175.900 0.009 0.000 1.152 114 Y CA 1.983 60.089 58.100 0.010 0.000 1.136 114 Y CB -0.437 38.026 38.460 0.007 0.000 0.975 114 Y HN 0.215 nan 8.280 nan 0.000 0.498 115 N N -0.284 118.478 118.700 0.104 0.000 2.459 115 N HA -0.140 4.600 4.740 -0.000 0.000 0.181 115 N C 2.053 177.543 175.510 -0.034 0.000 1.046 115 N CA 0.995 54.040 53.050 -0.008 0.000 0.904 115 N CB -0.295 38.241 38.487 0.083 0.000 0.964 115 N HN 0.424 nan 8.380 nan 0.000 0.444 116 S N 2.493 118.190 115.700 -0.004 0.000 2.363 116 S HA -0.156 4.314 4.470 -0.000 0.000 0.218 116 S C 1.635 176.212 174.600 -0.038 0.000 1.035 116 S CA 1.596 59.791 58.200 -0.008 0.000 1.043 116 S CB -0.452 62.755 63.200 0.011 0.000 0.986 116 S HN 0.565 nan 8.310 nan 0.000 0.423 117 N N 0.864 119.531 118.700 -0.055 0.000 2.309 117 N HA -0.159 4.581 4.740 -0.000 0.000 0.182 117 N C 1.718 177.166 175.510 -0.103 0.000 1.018 117 N CA 1.359 54.369 53.050 -0.068 0.000 0.876 117 N CB -0.684 37.767 38.487 -0.061 0.000 0.972 117 N HN 0.524 nan 8.380 nan 0.000 0.434 118 N N 1.123 119.723 118.700 -0.166 0.000 2.166 118 N HA -0.205 4.535 4.740 -0.000 0.000 0.186 118 N C 1.823 177.266 175.510 -0.112 0.000 1.019 118 N CA 1.132 54.063 53.050 -0.199 0.000 0.856 118 N CB -0.069 38.212 38.487 -0.343 0.000 0.993 118 N HN 0.164 nan 8.380 nan 0.000 0.426 119 Q N 0.090 119.843 119.800 -0.079 0.000 2.245 119 Q HA 0.094 4.434 4.340 -0.000 0.000 0.201 119 Q C 1.390 177.366 176.000 -0.039 0.000 0.955 119 Q CA 0.982 56.758 55.803 -0.046 0.000 0.870 119 Q CB 0.130 28.851 28.738 -0.028 0.000 0.945 119 Q HN 0.196 nan 8.270 nan 0.000 0.461 120 K N -0.077 120.297 120.400 -0.043 0.000 2.155 120 K HA -0.012 4.308 4.320 -0.000 0.000 0.203 120 K C 1.924 178.503 176.600 -0.035 0.000 1.052 120 K CA 0.693 56.960 56.287 -0.034 0.000 0.948 120 K CB -0.119 32.361 32.500 -0.033 0.000 0.728 120 K HN 0.325 nan 8.250 nan 0.000 0.448 121 I N 0.715 121.257 120.570 -0.046 0.000 2.113 121 I HA -0.285 3.885 4.170 -0.000 0.000 0.238 121 I C 2.242 178.340 176.117 -0.032 0.000 1.070 121 I CA 1.070 62.345 61.300 -0.042 0.000 1.332 121 I CB -0.474 37.492 38.000 -0.056 0.000 1.044 121 I HN -0.166 nan 8.210 nan 0.000 0.402 122 V N 1.175 121.070 119.914 -0.033 0.000 2.317 122 V HA -0.364 3.756 4.120 -0.000 0.000 0.251 122 V C 1.927 178.009 176.094 -0.019 0.000 1.065 122 V CA 2.616 64.902 62.300 -0.024 0.000 1.049 122 V CB -1.155 30.655 31.823 -0.022 0.000 0.651 122 V HN 0.487 nan 8.190 nan 0.000 0.450 123 N N -0.456 118.233 118.700 -0.019 0.000 2.244 123 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 123 N C 1.647 177.148 175.510 -0.014 0.000 1.016 123 N CA 0.804 53.846 53.050 -0.015 0.000 0.866 123 N CB -0.141 38.338 38.487 -0.014 0.000 0.980 123 N HN 0.337 nan 8.380 nan 0.000 0.430 124 L N 1.771 122.984 121.223 -0.017 0.000 2.056 124 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 124 L C 1.531 178.393 176.870 -0.014 0.000 1.078 124 L CA 1.723 56.554 54.840 -0.015 0.000 0.749 124 L CB -0.371 41.677 42.059 -0.018 0.000 0.901 124 L HN -0.020 nan 8.230 nan 0.000 0.433 125 K N -0.558 119.834 120.400 -0.015 0.000 2.281 125 K HA -0.153 4.167 4.320 -0.000 0.000 0.203 125 K C 1.766 178.360 176.600 -0.010 0.000 1.046 125 K CA 1.117 57.397 56.287 -0.013 0.000 0.938 125 K CB -0.026 32.466 32.500 -0.013 0.000 0.737 125 K HN 0.365 nan 8.250 nan 0.000 0.458 126 E N 0.898 121.091 120.200 -0.010 0.000 2.112 126 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 126 E C 1.665 178.260 176.600 -0.008 0.000 0.979 126 E CA 0.944 57.339 56.400 -0.009 0.000 0.814 126 E CB 0.061 29.756 29.700 -0.008 0.000 0.762 126 E HN 0.290 nan 8.360 nan 0.000 0.460 127 K N 0.628 121.023 120.400 -0.008 0.000 2.057 127 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 127 K C 2.258 178.853 176.600 -0.007 0.000 1.050 127 K CA 0.992 57.274 56.287 -0.008 0.000 0.935 127 K CB -0.164 32.331 32.500 -0.008 0.000 0.715 127 K HN -0.073 nan 8.250 nan 0.000 0.439 128 V N 1.756 121.665 119.914 -0.008 0.000 2.255 128 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 128 V C 2.442 178.532 176.094 -0.006 0.000 1.051 128 V CA 2.160 64.456 62.300 -0.007 0.000 1.018 128 V CB -0.822 30.997 31.823 -0.008 0.000 0.641 128 V HN 0.388 nan 8.190 nan 0.000 0.445 129 A N -0.828 121.988 122.820 -0.006 0.000 1.892 129 A HA -0.347 3.973 4.320 -0.000 0.000 0.218 129 A C 2.162 179.743 177.584 -0.005 0.000 1.188 129 A CA 2.340 54.374 52.037 -0.006 0.000 0.631 129 A CB -0.617 18.379 19.000 -0.006 0.000 0.822 129 A HN 0.663 nan 8.150 nan 0.000 0.447 130 Q N -1.325 118.472 119.800 -0.005 0.000 2.124 130 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 130 Q C 2.092 178.089 176.000 -0.005 0.000 0.977 130 Q CA 1.393 57.193 55.803 -0.005 0.000 0.850 130 Q CB -0.315 28.420 28.738 -0.005 0.000 0.901 130 Q HN 0.618 nan 8.270 nan 0.000 0.429 131 L N 1.013 122.233 121.223 -0.005 0.000 2.005 131 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 131 L C 2.193 179.060 176.870 -0.005 0.000 1.072 131 L CA 1.893 56.730 54.840 -0.005 0.000 0.744 131 L CB -0.493 41.563 42.059 -0.005 0.000 0.895 131 L HN 0.156 nan 8.230 nan 0.000 0.433 132 E N -0.531 119.666 120.200 -0.005 0.000 2.114 132 E HA -0.314 4.036 4.350 -0.000 0.000 0.199 132 E C 2.033 178.630 176.600 -0.004 0.000 1.008 132 E CA 1.442 57.840 56.400 -0.005 0.000 0.810 132 E CB -0.210 29.488 29.700 -0.004 0.000 0.739 132 E HN 0.648 nan 8.360 nan 0.000 0.456 133 A N 0.431 123.248 122.820 -0.004 0.000 1.972 133 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 133 A C 1.972 179.553 177.584 -0.005 0.000 1.169 133 A CA 1.405 53.439 52.037 -0.004 0.000 0.635 133 A CB -0.345 18.653 19.000 -0.004 0.000 0.810 133 A HN 0.328 nan 8.150 nan 0.000 0.446 134 Q N -1.643 118.154 119.800 -0.005 0.000 2.435 134 Q HA -0.015 4.325 4.340 -0.000 0.000 0.207 134 Q C -0.081 175.916 176.000 -0.005 0.000 0.956 134 Q CA 0.401 56.201 55.803 -0.005 0.000 0.917 134 Q CB -0.046 28.689 28.738 -0.005 0.000 0.997 134 Q HN 0.621 nan 8.270 nan 0.000 0.497 135 C N 1.280 120.577 119.300 -0.005 0.000 2.717 135 C HA 0.321 4.781 4.460 -0.000 0.000 0.306 135 C C 0.772 175.760 174.990 -0.005 0.000 1.225 135 C CA -0.638 58.377 59.018 -0.005 0.000 1.658 135 C CB -0.045 27.692 27.740 -0.005 0.000 1.714 135 C HN 0.406 nan 8.230 nan 0.000 0.463 136 Q N -0.123 119.674 119.800 -0.005 0.000 2.445 136 Q HA 0.149 4.489 4.340 -0.000 0.000 0.257 136 Q C 0.308 176.305 176.000 -0.005 0.000 0.806 136 Q CA 0.347 56.148 55.803 -0.004 0.000 0.987 136 Q CB 0.380 29.116 28.738 -0.004 0.000 1.248 136 Q HN 0.581 nan 8.270 nan 0.000 0.542 137 E N 3.269 123.466 120.200 -0.006 0.000 2.338 137 E HA 0.231 4.581 4.350 -0.000 0.000 0.272 137 E C -1.779 174.817 176.600 -0.007 0.000 1.029 137 E CA -1.240 55.156 56.400 -0.006 0.000 0.872 137 E CB 0.572 30.268 29.700 -0.007 0.000 1.015 137 E HN 0.172 nan 8.360 nan 0.000 0.417 138 P HA 0.163 nan 4.420 nan 0.000 0.275 138 P C -0.198 177.097 177.300 -0.009 0.000 1.266 138 P CA -0.491 62.605 63.100 -0.007 0.000 0.793 138 P CB 0.590 32.285 31.700 -0.007 0.000 1.074 139 C N 0.467 119.761 119.300 -0.009 0.000 2.679 139 C HA 0.100 4.560 4.460 -0.000 0.000 0.417 139 C C 1.135 176.117 174.990 -0.013 0.000 1.302 139 C CA -0.189 58.823 59.018 -0.011 0.000 1.973 139 C CB -1.046 26.687 27.740 -0.011 0.000 2.715 139 C HN 0.416 nan 8.230 nan 0.000 0.628 140 K N 2.061 122.452 120.400 -0.015 0.000 2.339 140 K HA 0.151 4.471 4.320 -0.000 0.000 0.286 140 K C -0.263 176.324 176.600 -0.021 0.000 1.050 140 K CA -0.033 56.243 56.287 -0.018 0.000 0.956 140 K CB 0.445 32.934 32.500 -0.018 0.000 0.990 140 K HN 0.596 nan 8.250 nan 0.000 0.475 141 D N 1.982 122.368 120.400 -0.024 0.000 2.280 141 D HA 0.001 4.641 4.640 -0.000 0.000 0.243 141 D C 1.130 177.410 176.300 -0.034 0.000 1.129 141 D CA -0.207 53.776 54.000 -0.028 0.000 0.848 141 D CB 1.446 42.230 40.800 -0.028 0.000 1.107 141 D HN 0.630 nan 8.370 nan 0.000 0.471 142 T N 0.143 114.677 114.554 -0.032 0.000 2.867 142 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 142 T C 1.251 175.924 174.700 -0.045 0.000 1.057 142 T CA 0.700 62.779 62.100 -0.034 0.000 1.136 142 T CB -0.445 68.407 68.868 -0.026 0.000 0.874 142 T HN 0.239 nan 8.240 nan 0.000 0.466 143 V N 0.399 120.286 119.914 -0.046 0.000 2.521 143 V HA 0.494 4.614 4.120 -0.000 0.000 0.286 143 V C -0.652 175.391 176.094 -0.085 0.000 1.034 143 V CA -0.784 61.481 62.300 -0.058 0.000 1.045 143 V CB 0.340 32.133 31.823 -0.049 0.000 0.974 143 V HN 0.515 nan 8.190 nan 0.000 0.480 144 Q N 4.451 124.174 119.800 -0.129 0.000 2.389 144 Q HA 0.638 4.978 4.340 -0.000 0.000 0.277 144 Q C -1.251 174.576 176.000 -0.287 0.000 1.082 144 Q CA -0.759 54.927 55.803 -0.195 0.000 0.810 144 Q CB 3.163 31.759 28.738 -0.237 0.000 1.374 144 Q HN 0.839 nan 8.270 nan 0.000 0.422 145 I N 2.322 122.730 120.570 -0.271 0.000 2.339 145 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 145 I C -0.367 175.548 176.117 -0.336 0.000 0.994 145 I CA -0.683 60.441 61.300 -0.293 0.000 1.191 145 I CB 0.887 38.779 38.000 -0.179 0.000 1.343 145 I HN 0.572 nan 8.210 nan 0.000 0.458 146 H N 4.146 122.977 119.070 -0.399 0.000 2.836 146 H HA 0.023 4.579 4.556 -0.000 0.000 0.368 146 H C 0.550 175.796 175.328 -0.137 0.000 1.164 146 H CA 0.137 55.984 56.048 -0.335 0.000 1.425 146 H CB 0.720 30.104 29.762 -0.629 0.000 1.414 146 H HN 0.500 nan 8.280 nan 0.000 0.614 147 D N 0.971 121.420 120.400 0.080 0.000 2.234 147 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 147 D C 0.629 177.010 176.300 0.135 0.000 0.962 147 D CA 0.698 54.753 54.000 0.091 0.000 0.855 147 D CB 0.274 41.111 40.800 0.062 0.000 0.951 147 D HN 0.384 nan 8.370 nan 0.000 0.500 148 I N 1.213 121.901 120.570 0.197 0.000 2.696 148 I HA 0.023 4.193 4.170 -0.000 0.000 0.284 148 I C 0.724 176.976 176.117 0.225 0.000 1.129 148 I CA 0.363 61.780 61.300 0.196 0.000 1.410 148 I CB 0.869 38.991 38.000 0.203 0.000 1.399 148 I HN -0.226 nan 8.210 nan 0.000 0.579 149 T N 2.438 117.066 114.554 0.123 0.000 2.858 149 T HA 0.849 5.199 4.350 -0.000 0.000 0.285 149 T C -0.067 174.646 174.700 0.022 0.000 1.052 149 T CA -0.692 61.462 62.100 0.091 0.000 1.009 149 T CB 2.126 71.031 68.868 0.060 0.000 1.241 149 T HN 1.001 nan 8.240 nan 0.000 0.542 150 G N -0.258 108.537 108.800 -0.008 0.000 2.322 150 G HA2 0.327 4.287 3.960 -0.000 0.000 0.295 150 G HA3 0.327 4.287 3.960 -0.000 0.000 0.295 150 G C -0.239 174.638 174.900 -0.039 0.000 1.369 150 G CA -0.738 44.344 45.100 -0.030 0.000 0.821 150 G HN 0.520 nan 8.290 nan 0.000 0.536 151 K N -0.452 119.934 120.400 -0.023 0.000 2.097 151 K HA 0.132 4.452 4.320 -0.000 0.000 0.205 151 K C 0.449 177.052 176.600 0.006 0.000 1.050 151 K CA 1.941 58.227 56.287 -0.001 0.000 0.938 151 K CB -0.076 32.438 32.500 0.024 0.000 0.718 151 K HN 0.706 nan 8.250 nan 0.000 0.442 152 D N -3.212 117.187 120.400 -0.001 0.000 2.713 152 D HA 0.093 4.733 4.640 -0.000 0.000 0.306 152 D C 0.309 176.578 176.300 -0.051 0.000 1.299 152 D CA -0.769 53.236 54.000 0.009 0.000 0.823 152 D CB 0.190 41.066 40.800 0.127 0.000 1.353 152 D HN -0.190 nan 8.370 nan 0.000 0.447 153 c N -0.865 117.700 118.600 -0.058 0.000 2.413 153 c HA -0.100 4.470 4.570 -0.000 0.000 0.277 153 c C 2.389 176.382 174.090 -0.161 0.000 1.265 153 c CA 1.413 57.651 56.329 -0.151 0.000 1.752 153 c CB -1.038 41.408 42.510 -0.107 0.000 1.998 153 c HN 0.690 nan 8.230 nan 0.000 0.489 154 Q N 1.774 121.513 119.800 -0.103 0.000 2.050 154 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 154 Q C 1.680 177.609 176.000 -0.117 0.000 0.980 154 Q CA 2.283 58.009 55.803 -0.128 0.000 0.840 154 Q CB -0.725 27.939 28.738 -0.124 0.000 0.898 154 Q HN 0.636 nan 8.270 nan 0.000 0.424 155 D N -0.547 119.801 120.400 -0.086 0.000 2.133 155 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 155 D C 1.745 177.989 176.300 -0.094 0.000 0.997 155 D CA 1.564 55.520 54.000 -0.075 0.000 0.840 155 D CB -0.216 40.555 40.800 -0.048 0.000 0.947 155 D HN 0.457 nan 8.370 nan 0.000 0.452 156 I N 0.254 120.742 120.570 -0.137 0.000 2.179 156 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 156 I C 2.489 178.505 176.117 -0.169 0.000 1.088 156 I CA 1.053 62.248 61.300 -0.175 0.000 1.357 156 I CB -0.423 37.377 38.000 -0.333 0.000 1.051 156 I HN 0.038 nan 8.210 nan 0.000 0.409 157 A N 1.010 123.719 122.820 -0.186 0.000 1.978 157 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 157 A C 1.972 179.495 177.584 -0.100 0.000 1.170 157 A CA 1.811 53.759 52.037 -0.148 0.000 0.636 157 A CB -0.646 18.266 19.000 -0.146 0.000 0.810 157 A HN 0.430 nan 8.150 nan 0.000 0.448 158 N N 0.178 118.822 118.700 -0.093 0.000 2.244 158 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 158 N C 1.144 176.622 175.510 -0.054 0.000 1.016 158 N CA 1.159 54.167 53.050 -0.070 0.000 0.866 158 N CB -0.257 38.190 38.487 -0.067 0.000 0.980 158 N HN 0.566 nan 8.380 nan 0.000 0.430 159 K N -0.115 120.253 120.400 -0.055 0.000 2.505 159 K HA 0.161 4.481 4.320 -0.000 0.000 0.192 159 K C 0.568 177.153 176.600 -0.026 0.000 1.025 159 K CA 0.337 56.603 56.287 -0.034 0.000 1.086 159 K CB 0.303 32.788 32.500 -0.026 0.000 0.840 159 K HN 0.217 nan 8.250 nan 0.000 0.514 160 G N 0.993 109.771 108.800 -0.037 0.000 2.134 160 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.209 160 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.209 160 G C 0.111 174.997 174.900 -0.024 0.000 0.993 160 G CA -0.123 44.961 45.100 -0.026 0.000 0.669 160 G HN 0.410 nan 8.290 nan 0.000 0.519 161 A N 0.136 122.925 122.820 -0.051 0.000 2.454 161 A HA 0.622 4.942 4.320 -0.000 0.000 0.260 161 A C 0.959 178.505 177.584 -0.063 0.000 1.106 161 A CA 0.362 52.365 52.037 -0.056 0.000 0.780 161 A CB 0.359 19.258 19.000 -0.168 0.000 1.044 161 A HN 0.187 nan 8.150 nan 0.000 0.498 162 K N 2.463 122.844 120.400 -0.032 0.000 2.758 162 K HA 0.165 4.485 4.320 -0.000 0.000 0.208 162 K C -0.318 176.271 176.600 -0.019 0.000 1.091 162 K CA -0.004 56.268 56.287 -0.025 0.000 1.059 162 K CB 0.531 33.028 32.500 -0.006 0.000 0.801 162 K HN 0.903 nan 8.250 nan 0.000 0.470 163 Q N -1.154 118.622 119.800 -0.040 0.000 2.403 163 Q HA 0.272 4.612 4.340 -0.000 0.000 0.267 163 Q C -1.167 174.807 176.000 -0.043 0.000 0.991 163 Q CA -0.389 55.399 55.803 -0.025 0.000 0.906 163 Q CB 0.756 29.498 28.738 0.008 0.000 1.422 163 Q HN -0.125 nan 8.270 nan 0.000 0.400 164 S N 1.052 116.739 115.700 -0.022 0.000 2.465 164 S HA 0.727 5.197 4.470 -0.000 0.000 0.280 164 S C 0.183 174.753 174.600 -0.050 0.000 1.232 164 S CA 0.605 58.749 58.200 -0.092 0.000 1.066 164 S CB 0.452 63.639 63.200 -0.021 0.000 0.929 164 S HN 0.853 nan 8.310 nan 0.000 0.494 165 G N 1.955 110.689 108.800 -0.110 0.000 2.570 165 G HA2 0.455 4.415 3.960 -0.000 0.000 0.310 165 G HA3 0.455 4.415 3.960 -0.000 0.000 0.310 165 G C -1.588 173.349 174.900 0.061 0.000 1.266 165 G CA -0.988 44.148 45.100 0.061 0.000 0.825 165 G HN 0.553 nan 8.290 nan 0.000 0.483 166 L N 0.557 121.817 121.223 0.061 0.000 2.305 166 L HA 0.599 4.939 4.340 -0.000 0.000 0.281 166 L C -0.994 175.749 176.870 -0.211 0.000 1.085 166 L CA -0.409 54.423 54.840 -0.013 0.000 0.813 166 L CB 0.683 42.688 42.059 -0.091 0.000 1.157 166 L HN 0.471 nan 8.230 nan 0.000 0.436 167 Y N 1.560 121.779 120.300 -0.134 0.000 2.562 167 Y HA 0.464 5.014 4.550 -0.000 0.000 0.345 167 Y C -0.440 175.340 175.900 -0.200 0.000 1.045 167 Y CA -0.827 57.204 58.100 -0.114 0.000 1.028 167 Y CB 1.708 40.123 38.460 -0.075 0.000 1.297 167 Y HN 0.216 nan 8.280 nan 0.000 0.463 168 F N 3.284 123.283 119.950 0.080 0.000 2.385 168 F HA 0.682 5.209 4.527 -0.000 0.000 0.336 168 F C 0.274 175.996 175.800 -0.130 0.000 1.100 168 F CA -0.895 57.076 58.000 -0.049 0.000 1.116 168 F CB 1.037 40.014 39.000 -0.037 0.000 1.166 168 F HN 0.318 nan 8.300 nan 0.000 0.511 169 I N -0.149 120.345 120.570 -0.128 0.000 3.074 169 I HA 0.631 4.801 4.170 -0.000 0.000 0.310 169 I C -1.420 174.445 176.117 -0.419 0.000 1.153 169 I CA -1.111 60.024 61.300 -0.276 0.000 0.993 169 I CB 2.634 40.432 38.000 -0.337 0.000 1.237 169 I HN 0.513 nan 8.210 nan 0.000 0.443 170 K N 3.614 123.878 120.400 -0.227 0.000 2.790 170 K HA 0.494 4.814 4.320 -0.000 0.000 0.253 170 K C -2.885 173.704 176.600 -0.017 0.000 1.082 170 K CA -1.238 54.991 56.287 -0.097 0.000 1.067 170 K CB 1.566 34.044 32.500 -0.036 0.000 1.284 170 K HN 0.393 nan 8.250 nan 0.000 0.529 171 P HA -0.048 nan 4.420 nan 0.000 0.267 171 P C 0.681 178.009 177.300 0.046 0.000 1.201 171 P CA -0.304 62.830 63.100 0.056 0.000 0.775 171 P CB 0.617 32.375 31.700 0.097 0.000 0.854 172 L N 1.674 122.918 121.223 0.036 0.000 2.189 172 L HA -0.224 4.116 4.340 -0.000 0.000 0.214 172 L C 1.985 178.872 176.870 0.027 0.000 1.097 172 L CA 2.031 56.888 54.840 0.027 0.000 0.764 172 L CB -0.867 41.206 42.059 0.024 0.000 0.900 172 L HN 0.416 nan 8.230 nan 0.000 0.436 173 K N -0.761 119.655 120.400 0.026 0.000 2.186 173 K HA 0.157 4.477 4.320 -0.000 0.000 0.202 173 K C 1.019 177.647 176.600 0.046 0.000 1.052 173 K CA 0.520 56.820 56.287 0.021 0.000 0.965 173 K CB -0.084 32.404 32.500 -0.019 0.000 0.746 173 K HN 0.277 nan 8.250 nan 0.000 0.457 174 A N 2.398 125.263 122.820 0.075 0.000 2.445 174 A HA 0.050 4.370 4.320 -0.000 0.000 0.242 174 A C 0.135 177.768 177.584 0.081 0.000 1.075 174 A CA -0.212 51.892 52.037 0.111 0.000 0.777 174 A CB -0.007 19.122 19.000 0.216 0.000 1.013 174 A HN 0.477 nan 8.150 nan 0.000 0.493 175 N N -0.395 118.352 118.700 0.078 0.000 2.200 175 N HA 0.342 5.082 4.740 -0.000 0.000 0.224 175 N C -0.440 175.103 175.510 0.055 0.000 1.179 175 N CA -0.197 52.885 53.050 0.053 0.000 0.877 175 N CB 0.759 39.272 38.487 0.042 0.000 1.072 175 N HN 0.527 nan 8.380 nan 0.000 0.519 176 Q N 1.167 121.021 119.800 0.089 0.000 2.313 176 Q HA 0.160 4.500 4.340 -0.000 0.000 0.260 176 Q C -1.412 174.690 176.000 0.169 0.000 0.972 176 Q CA -0.634 55.225 55.803 0.093 0.000 0.886 176 Q CB 1.379 30.172 28.738 0.092 0.000 1.373 176 Q HN 0.385 nan 8.270 nan 0.000 0.416 177 Q N 2.370 122.222 119.800 0.087 0.000 2.443 177 Q HA 0.637 4.977 4.340 -0.000 0.000 0.232 177 Q C -0.760 175.413 176.000 0.288 0.000 1.026 177 Q CA -0.363 55.484 55.803 0.072 0.000 0.924 177 Q CB 0.749 29.433 28.738 -0.090 0.000 1.256 177 Q HN 0.529 nan 8.270 nan 0.000 0.519 178 F N -1.876 118.228 119.950 0.258 0.000 2.654 178 F HA 0.512 5.039 4.527 -0.000 0.000 0.308 178 F C -1.809 174.181 175.800 0.316 0.000 1.108 178 F CA -1.663 56.523 58.000 0.310 0.000 0.957 178 F CB 0.743 39.820 39.000 0.129 0.000 1.309 178 F HN 0.515 nan 8.300 nan 0.000 0.446 179 L N 3.678 125.061 121.223 0.266 0.000 2.397 179 L HA 0.758 5.098 4.340 -0.000 0.000 0.271 179 L C -0.355 176.520 176.870 0.008 0.000 1.148 179 L CA -0.185 54.534 54.840 -0.201 0.000 0.825 179 L CB 1.305 43.091 42.059 -0.456 0.000 1.117 179 L HN 0.859 nan 8.230 nan 0.000 0.456 180 V N 2.109 121.991 119.914 -0.054 0.000 3.188 180 V HA 0.496 4.616 4.120 -0.000 0.000 0.305 180 V C -1.551 174.578 176.094 0.058 0.000 1.232 180 V CA -1.023 61.300 62.300 0.039 0.000 1.043 180 V CB 1.489 33.372 31.823 0.099 0.000 1.068 180 V HN 0.689 nan 8.190 nan 0.000 0.439 181 Y N 1.520 121.806 120.300 -0.023 0.000 2.335 181 Y HA 0.738 5.288 4.550 -0.000 0.000 0.339 181 Y C -0.197 175.771 175.900 0.113 0.000 0.987 181 Y CA -0.695 57.425 58.100 0.033 0.000 1.140 181 Y CB 1.047 39.493 38.460 -0.023 0.000 1.173 181 Y HN 0.962 nan 8.280 nan 0.000 0.486 182 c N 6.303 124.626 118.600 -0.462 0.000 2.303 182 c HA 0.321 4.891 4.570 -0.000 0.000 0.326 182 c C -0.062 173.723 174.090 -0.507 0.000 1.285 182 c CA -0.857 55.255 56.329 -0.361 0.000 1.675 182 c CB 0.265 42.542 42.510 -0.388 0.000 2.289 182 c HN 0.836 nan 8.230 nan 0.000 0.512 183 E N 3.573 123.675 120.200 -0.163 0.000 2.115 183 E HA 0.496 4.846 4.350 -0.000 0.000 0.282 183 E C -1.083 175.556 176.600 0.065 0.000 0.987 183 E CA -0.173 56.215 56.400 -0.020 0.000 0.797 183 E CB 0.520 30.302 29.700 0.137 0.000 1.086 183 E HN 0.657 nan 8.360 nan 0.000 0.397 184 I N 4.928 125.496 120.570 -0.002 0.000 2.389 184 I HA 0.187 4.357 4.170 -0.000 0.000 0.288 184 I C -0.232 175.909 176.117 0.041 0.000 0.999 184 I CA -1.017 60.287 61.300 0.006 0.000 1.129 184 I CB 1.377 39.330 38.000 -0.079 0.000 1.288 184 I HN 0.579 nan 8.210 nan 0.000 0.444 185 D N 4.146 124.593 120.400 0.078 0.000 2.432 185 D HA 0.259 4.899 4.640 -0.000 0.000 0.258 185 D C 1.316 177.633 176.300 0.030 0.000 1.146 185 D CA -0.631 53.408 54.000 0.066 0.000 1.015 185 D CB 0.930 41.793 40.800 0.105 0.000 1.107 185 D HN 0.520 nan 8.370 nan 0.000 0.529 186 G N -0.938 107.877 108.800 0.025 0.000 2.443 186 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 186 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 186 G C 1.319 176.221 174.900 0.004 0.000 1.131 186 G CA 0.540 45.646 45.100 0.011 0.000 0.775 186 G HN 0.428 nan 8.290 nan 0.000 0.547 187 S N -0.144 115.562 115.700 0.010 0.000 2.402 187 S HA 0.225 4.695 4.470 -0.000 0.000 0.229 187 S C 1.789 176.378 174.600 -0.017 0.000 1.021 187 S CA 1.207 59.407 58.200 -0.001 0.000 0.974 187 S CB -0.087 63.118 63.200 0.008 0.000 0.800 187 S HN 1.306 nan 8.310 nan 0.000 0.484 188 G N 1.593 110.381 108.800 -0.019 0.000 2.155 188 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.135 188 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.135 188 G C -0.601 174.257 174.900 -0.071 0.000 1.023 188 G CA -0.729 44.345 45.100 -0.043 0.000 0.688 188 G HN 0.339 nan 8.290 nan 0.000 0.499 189 N N 0.648 119.312 118.700 -0.061 0.000 2.419 189 N HA 0.557 5.297 4.740 -0.000 0.000 0.277 189 N C 0.379 175.806 175.510 -0.139 0.000 1.006 189 N CA 0.428 53.393 53.050 -0.142 0.000 0.923 189 N CB 1.758 40.147 38.487 -0.164 0.000 1.140 189 N HN 0.429 nan 8.380 nan 0.000 0.488 190 G N 1.737 110.408 108.800 -0.216 0.000 2.607 190 G HA2 0.305 4.265 3.960 -0.000 0.000 0.332 190 G HA3 0.305 4.265 3.960 -0.000 0.000 0.332 190 G C -0.791 174.018 174.900 -0.151 0.000 1.046 190 G CA -0.539 44.465 45.100 -0.161 0.000 1.099 190 G HN 0.463 nan 8.290 nan 0.000 0.451 191 W N 1.679 122.950 121.300 -0.048 0.000 2.315 191 W HA 0.413 5.073 4.660 -0.000 0.000 0.316 191 W C 0.399 176.918 176.519 -0.000 0.000 1.211 191 W CA -0.357 56.986 57.345 -0.003 0.000 1.201 191 W CB 1.592 31.051 29.460 -0.003 0.000 1.184 191 W HN 0.238 nan 8.180 nan 0.000 0.544 192 T N 3.426 118.171 114.554 0.319 0.000 2.781 192 T HA 0.293 4.643 4.350 -0.000 0.000 0.305 192 T C -0.222 174.658 174.700 0.300 0.000 1.001 192 T CA -0.633 61.611 62.100 0.240 0.000 0.950 192 T CB 0.211 69.192 68.868 0.187 0.000 0.955 192 T HN 0.052 nan 8.240 nan 0.000 0.471 193 V N 5.465 125.564 119.914 0.308 0.000 2.488 193 V HA 0.222 4.342 4.120 -0.000 0.000 0.277 193 V C 0.705 177.007 176.094 0.347 0.000 1.046 193 V CA -0.172 62.285 62.300 0.261 0.000 0.986 193 V CB -0.023 32.025 31.823 0.376 0.000 0.989 193 V HN 0.954 nan 8.190 nan 0.000 0.475 194 F N 1.551 121.520 119.950 0.031 0.000 2.706 194 F HA 0.508 5.035 4.527 -0.000 0.000 0.308 194 F C 0.353 175.836 175.800 -0.529 0.000 1.095 194 F CA -0.155 57.764 58.000 -0.135 0.000 1.244 194 F CB 0.346 39.209 39.000 -0.227 0.000 1.063 194 F HN 0.442 nan 8.300 nan 0.000 0.582 195 Q N 2.012 121.386 119.800 -0.710 0.000 2.353 195 Q HA 0.455 4.795 4.340 -0.000 0.000 0.275 195 Q C -2.026 173.610 176.000 -0.606 0.000 1.029 195 Q CA -0.462 54.996 55.803 -0.575 0.000 0.848 195 Q CB 2.772 31.506 28.738 -0.006 0.000 1.390 195 Q HN 0.342 nan 8.270 nan 0.000 0.401 196 K N 2.337 122.420 120.400 -0.529 0.000 2.543 196 K HA 0.568 4.888 4.320 -0.000 0.000 0.255 196 K C -1.770 174.756 176.600 -0.123 0.000 0.934 196 K CA -0.433 55.672 56.287 -0.304 0.000 0.810 196 K CB 1.283 33.624 32.500 -0.265 0.000 1.315 196 K HN 0.491 nan 8.250 nan 0.000 0.433 197 R N 4.599 125.030 120.500 -0.115 0.000 2.686 197 R HA 0.570 4.910 4.340 -0.000 0.000 0.283 197 R C -0.158 176.107 176.300 -0.057 0.000 0.978 197 R CA -0.686 55.366 56.100 -0.080 0.000 0.897 197 R CB 1.174 31.404 30.300 -0.117 0.000 1.192 197 R HN 0.788 nan 8.270 nan 0.000 0.457 198 L N -0.465 120.717 121.223 -0.069 0.000 2.567 198 L HA 0.239 4.579 4.340 -0.000 0.000 0.228 198 L C -0.140 176.627 176.870 -0.171 0.000 1.046 198 L CA -0.001 54.786 54.840 -0.089 0.000 1.013 198 L CB 0.254 42.259 42.059 -0.090 0.000 1.944 198 L HN 0.560 nan 8.230 nan 0.000 0.510 199 D N -0.868 119.287 120.400 -0.410 0.000 2.732 199 D HA 0.378 5.018 4.640 -0.000 0.000 0.292 199 D C 0.558 176.178 176.300 -1.134 0.000 1.135 199 D CA -0.179 53.388 54.000 -0.723 0.000 1.071 199 D CB 0.791 41.417 40.800 -0.289 0.000 1.457 199 D HN -0.026 nan 8.370 nan 0.000 0.547 200 G N -0.981 107.282 108.800 -0.894 0.000 3.379 200 G HA2 0.144 4.104 3.960 -0.000 0.000 0.253 200 G HA3 0.144 4.104 3.960 -0.000 0.000 0.253 200 G C 0.977 175.766 174.900 -0.185 0.000 1.262 200 G CA 0.382 45.170 45.100 -0.519 0.000 0.959 200 G HN 0.450 nan 8.290 nan 0.000 0.524 201 S N -0.521 115.087 115.700 -0.153 0.000 2.359 201 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 201 S C 0.947 175.580 174.600 0.055 0.000 1.035 201 S CA 0.673 58.854 58.200 -0.032 0.000 1.018 201 S CB -0.153 63.034 63.200 -0.021 0.000 0.876 201 S HN 0.034 nan 8.310 nan 0.000 0.448 202 V N 2.558 122.557 119.914 0.141 0.000 2.532 202 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 202 V C -0.503 175.753 176.094 0.271 0.000 1.041 202 V CA -0.834 61.593 62.300 0.212 0.000 0.926 202 V CB 1.488 33.483 31.823 0.287 0.000 0.992 202 V HN 0.332 nan 8.190 nan 0.000 0.457 203 D N 2.467 122.948 120.400 0.135 0.000 2.347 203 D HA 0.278 4.918 4.640 -0.000 0.000 0.235 203 D C 0.250 176.595 176.300 0.075 0.000 1.149 203 D CA -0.232 53.838 54.000 0.118 0.000 0.850 203 D CB 0.703 41.509 40.800 0.010 0.000 1.061 203 D HN 0.346 nan 8.370 nan 0.000 0.487 204 F N 2.151 122.128 119.950 0.044 0.000 2.816 204 F HA 0.101 4.628 4.527 -0.000 0.000 0.302 204 F C 1.731 177.561 175.800 0.050 0.000 1.178 204 F CA 0.209 58.264 58.000 0.091 0.000 1.421 204 F CB -0.130 39.011 39.000 0.234 0.000 1.114 204 F HN 0.272 nan 8.300 nan 0.000 0.573 205 K N 1.877 122.348 120.400 0.118 0.000 2.480 205 K HA 0.054 4.374 4.320 -0.000 0.000 0.241 205 K C -0.136 176.492 176.600 0.047 0.000 1.261 205 K CA 0.003 56.366 56.287 0.126 0.000 1.193 205 K CB -0.283 32.253 32.500 0.061 0.000 1.598 205 K HN -0.122 nan 8.250 nan 0.000 0.278 206 K N 1.403 121.815 120.400 0.019 0.000 2.185 206 K HA 0.197 4.517 4.320 -0.000 0.000 0.240 206 K C 0.007 176.783 176.600 0.293 0.000 0.983 206 K CA -0.868 55.346 56.287 -0.122 0.000 0.873 206 K CB 1.091 33.030 32.500 -0.936 0.000 1.118 206 K HN 0.493 nan 8.250 nan 0.000 0.441 207 N N -0.850 118.002 118.700 0.253 0.000 2.405 207 N HA 0.023 4.763 4.740 -0.000 0.000 0.269 207 N C 1.057 176.714 175.510 0.244 0.000 1.249 207 N CA -0.591 52.602 53.050 0.238 0.000 0.974 207 N CB 0.287 38.885 38.487 0.184 0.000 1.204 207 N HN 0.686 nan 8.380 nan 0.000 0.565 208 W N 0.373 121.667 121.300 -0.010 0.000 2.302 208 W HA -0.278 4.382 4.660 -0.000 0.000 0.320 208 W C 1.195 177.773 176.519 0.098 0.000 1.241 208 W CA 1.462 58.839 57.345 0.052 0.000 1.264 208 W CB -0.328 29.108 29.460 -0.039 0.000 1.154 208 W HN 0.510 nan 8.180 nan 0.000 0.483 209 I N 1.310 121.979 120.570 0.165 0.000 2.163 209 I HA -0.380 3.790 4.170 -0.000 0.000 0.243 209 I C 2.615 178.730 176.117 -0.003 0.000 1.085 209 I CA 2.105 63.448 61.300 0.071 0.000 1.347 209 I CB -1.370 36.696 38.000 0.110 0.000 1.044 209 I HN 0.100 nan 8.210 nan 0.000 0.408 210 Q N -1.003 118.804 119.800 0.012 0.000 2.124 210 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 210 Q C 2.208 178.252 176.000 0.073 0.000 0.977 210 Q CA 1.628 57.423 55.803 -0.013 0.000 0.850 210 Q CB -0.321 28.310 28.738 -0.179 0.000 0.901 210 Q HN 0.515 nan 8.270 nan 0.000 0.429 211 Y N 0.924 121.219 120.300 -0.008 0.000 2.395 211 Y HA -0.118 4.431 4.550 -0.000 0.000 0.293 211 Y C 2.342 178.116 175.900 -0.209 0.000 1.123 211 Y CA 1.046 59.123 58.100 -0.038 0.000 1.227 211 Y CB 0.133 38.420 38.460 -0.289 0.000 1.012 211 Y HN -0.001 nan 8.280 nan 0.000 0.552 212 K N 0.205 120.449 120.400 -0.260 0.000 2.007 212 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 212 K C 1.555 178.027 176.600 -0.213 0.000 1.047 212 K CA 1.617 57.674 56.287 -0.384 0.000 0.937 212 K CB 0.038 32.353 32.500 -0.308 0.000 0.718 212 K HN 0.093 nan 8.250 nan 0.000 0.438 213 E N 0.176 120.316 120.200 -0.100 0.000 2.371 213 E HA 0.081 4.431 4.350 -0.000 0.000 0.194 213 E C 0.629 177.188 176.600 -0.068 0.000 1.012 213 E CA 0.768 57.118 56.400 -0.083 0.000 0.860 213 E CB 0.450 30.129 29.700 -0.035 0.000 0.811 213 E HN 0.552 nan 8.360 nan 0.000 0.502 214 G N 1.377 110.191 108.800 0.025 0.000 2.690 214 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.686 214 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.686 214 G C -0.584 174.374 174.900 0.096 0.000 1.277 214 G CA -0.423 44.695 45.100 0.030 0.000 0.799 214 G HN 0.174 nan 8.290 nan 0.000 0.613 215 F N -1.235 118.687 119.950 -0.047 0.000 2.693 215 F HA 0.926 5.453 4.527 -0.000 0.000 0.309 215 F C 0.639 176.370 175.800 -0.116 0.000 1.129 215 F CA -0.092 57.816 58.000 -0.152 0.000 0.948 215 F CB 1.254 40.094 39.000 -0.267 0.000 1.315 215 F HN 2.485 nan 8.300 nan 0.000 0.447 216 G N 0.971 109.745 108.800 -0.043 0.000 2.396 216 G HA2 0.272 4.232 3.960 -0.000 0.000 0.254 216 G HA3 0.272 4.232 3.960 -0.000 0.000 0.254 216 G C -2.197 172.513 174.900 -0.316 0.000 1.248 216 G CA -0.718 44.349 45.100 -0.055 0.000 1.033 216 G HN 1.249 nan 8.290 nan 0.000 0.502 217 H N -1.336 117.759 119.070 0.041 0.000 2.821 217 H HA 0.735 5.291 4.556 -0.000 0.000 0.373 217 H C -0.082 175.141 175.328 -0.175 0.000 1.165 217 H CA -0.669 55.348 56.048 -0.052 0.000 1.154 217 H CB 1.731 31.477 29.762 -0.028 0.000 1.765 217 H HN 0.519 nan 8.280 nan 0.000 0.549 218 L N 1.942 123.088 121.223 -0.129 0.000 2.309 218 L HA 0.559 4.899 4.340 -0.000 0.000 0.282 218 L C -0.297 176.501 176.870 -0.120 0.000 1.036 218 L CA -0.583 54.088 54.840 -0.282 0.000 0.806 218 L CB 1.341 43.224 42.059 -0.293 0.000 1.220 218 L HN 0.696 nan 8.230 nan 0.000 0.429 219 S N 1.667 117.288 115.700 -0.131 0.000 2.536 219 S HA 0.512 4.982 4.470 -0.000 0.000 0.287 219 S C -2.144 172.481 174.600 0.041 0.000 1.101 219 S CA -1.247 56.917 58.200 -0.059 0.000 0.950 219 S CB 2.231 65.383 63.200 -0.080 0.000 1.056 219 S HN 0.418 nan 8.310 nan 0.000 0.481 220 P HA -0.063 nan 4.420 nan 0.000 0.222 220 P C 1.230 178.699 177.300 0.281 0.000 1.147 220 P CA 1.288 64.523 63.100 0.226 0.000 0.790 220 P CB -0.430 31.329 31.700 0.098 0.000 0.780 221 T N -4.958 109.668 114.554 0.120 0.000 3.100 221 T HA 0.283 4.633 4.350 -0.000 0.000 0.253 221 T C 1.579 176.282 174.700 0.005 0.000 1.118 221 T CA 0.520 62.669 62.100 0.081 0.000 1.058 221 T CB -1.058 67.823 68.868 0.021 0.000 0.953 221 T HN 0.221 nan 8.240 nan 0.000 0.515 222 G N 2.265 110.937 108.800 -0.213 0.000 2.225 222 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.267 222 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.267 222 G C 0.497 175.247 174.900 -0.251 0.000 1.024 222 G CA 0.593 45.338 45.100 -0.591 0.000 0.784 222 G HN 1.077 nan 8.290 nan 0.000 0.507 223 T N -2.612 111.856 114.554 -0.144 0.000 3.242 223 T HA 0.582 4.932 4.350 -0.000 0.000 0.253 223 T C 0.193 174.858 174.700 -0.059 0.000 0.946 223 T CA 0.520 62.570 62.100 -0.083 0.000 0.944 223 T CB 1.222 70.057 68.868 -0.054 0.000 1.122 223 T HN 0.804 nan 8.240 nan 0.000 0.546 224 T N 0.579 115.107 114.554 -0.043 0.000 2.900 224 T HA 0.380 4.730 4.350 -0.000 0.000 0.303 224 T C -1.372 173.414 174.700 0.142 0.000 1.142 224 T CA -0.653 61.466 62.100 0.032 0.000 1.007 224 T CB 1.862 70.748 68.868 0.031 0.000 1.156 224 T HN 0.386 nan 8.240 nan 0.000 0.490 225 E N 2.335 122.641 120.200 0.177 0.000 2.313 225 E HA 0.624 4.974 4.350 -0.000 0.000 0.272 225 E C -0.738 176.100 176.600 0.397 0.000 1.038 225 E CA -0.451 56.101 56.400 0.253 0.000 0.863 225 E CB 1.133 30.987 29.700 0.257 0.000 1.060 225 E HN 0.536 nan 8.360 nan 0.000 0.402 226 F N -0.800 119.247 119.950 0.162 0.000 2.842 226 F HA 0.463 4.990 4.527 -0.000 0.000 0.319 226 F C -2.265 173.551 175.800 0.027 0.000 1.159 226 F CA -1.225 56.764 58.000 -0.018 0.000 0.902 226 F CB 1.228 40.184 39.000 -0.072 0.000 1.311 226 F HN 0.548 nan 8.300 nan 0.000 0.453 227 W N 5.128 126.175 121.300 -0.420 0.000 2.664 227 W HA 0.565 5.225 4.660 -0.000 0.000 0.314 227 W C -1.878 174.535 176.519 -0.176 0.000 1.010 227 W CA -1.033 56.026 57.345 -0.478 0.000 1.306 227 W CB 1.668 30.439 29.460 -1.147 0.000 1.254 227 W HN 0.897 nan 8.180 nan 0.000 0.404 228 L N 5.079 126.128 121.223 -0.290 0.000 2.483 228 L HA 0.430 4.770 4.340 -0.000 0.000 0.275 228 L C 1.143 177.653 176.870 -0.600 0.000 1.220 228 L CA 1.093 55.810 54.840 -0.204 0.000 0.833 228 L CB 0.551 42.596 42.059 -0.022 0.000 1.102 228 L HN 0.510 nan 8.230 nan 0.000 0.490 229 G N 2.990 111.572 108.800 -0.363 0.000 2.484 229 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.235 229 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.235 229 G C 0.614 175.240 174.900 -0.457 0.000 1.282 229 G CA 0.239 45.142 45.100 -0.328 0.000 0.857 229 G HN 0.975 nan 8.290 nan 0.000 0.571 230 N N -0.077 118.365 118.700 -0.431 0.000 2.120 230 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 230 N C 2.042 177.139 175.510 -0.689 0.000 1.024 230 N CA 1.218 53.844 53.050 -0.708 0.000 0.852 230 N CB 0.038 37.730 38.487 -1.327 0.000 1.003 230 N HN 0.675 nan 8.380 nan 0.000 0.424 231 E N 1.575 121.439 120.200 -0.560 0.000 2.118 231 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 231 E C 1.453 177.972 176.600 -0.135 0.000 0.992 231 E CA 1.492 57.802 56.400 -0.151 0.000 0.804 231 E CB 0.139 29.804 29.700 -0.059 0.000 0.741 231 E HN 0.268 nan 8.360 nan 0.000 0.458 232 K N -0.136 120.067 120.400 -0.329 0.000 2.031 232 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 232 K C 2.294 178.774 176.600 -0.199 0.000 1.049 232 K CA 1.494 57.527 56.287 -0.423 0.000 0.939 232 K CB -0.251 31.823 32.500 -0.709 0.000 0.717 232 K HN 0.182 nan 8.250 nan 0.000 0.438 233 I N 0.857 121.268 120.570 -0.265 0.000 2.208 233 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 233 I C 2.650 178.694 176.117 -0.120 0.000 1.097 233 I CA 1.518 62.665 61.300 -0.254 0.000 1.363 233 I CB -0.496 37.208 38.000 -0.493 0.000 1.051 233 I HN 0.269 nan 8.210 nan 0.000 0.413 234 H N 1.751 120.730 119.070 -0.152 0.000 2.253 234 H HA -0.169 4.387 4.556 -0.000 0.000 0.296 234 H C 2.132 177.440 175.328 -0.034 0.000 1.074 234 H CA 1.942 57.962 56.048 -0.046 0.000 1.263 234 H CB -0.564 29.259 29.762 0.100 0.000 1.363 234 H HN 0.159 nan 8.280 nan 0.000 0.489 235 L N -0.293 120.782 121.223 -0.247 0.000 2.137 235 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 235 L C 2.596 179.387 176.870 -0.130 0.000 1.085 235 L CA 1.527 56.226 54.840 -0.235 0.000 0.760 235 L CB -0.470 41.575 42.059 -0.023 0.000 0.893 235 L HN 0.377 nan 8.230 nan 0.000 0.434 236 I N -0.741 119.778 120.570 -0.085 0.000 2.188 236 I HA -0.231 3.939 4.170 -0.000 0.000 0.237 236 I C 2.781 178.727 176.117 -0.285 0.000 1.073 236 I CA 1.353 62.590 61.300 -0.106 0.000 1.359 236 I CB -0.545 37.403 38.000 -0.088 0.000 1.083 236 I HN 0.284 nan 8.210 nan 0.000 0.412 237 S N 0.205 115.684 115.700 -0.369 0.000 2.402 237 S HA -0.225 4.245 4.470 -0.000 0.000 0.233 237 S C 1.829 176.370 174.600 -0.098 0.000 1.030 237 S CA 1.890 59.842 58.200 -0.413 0.000 1.003 237 S CB -1.155 61.870 63.200 -0.291 0.000 0.813 237 S HN 0.644 nan 8.310 nan 0.000 0.477 238 T N -0.546 113.936 114.554 -0.119 0.000 3.054 238 T HA 0.193 4.543 4.350 -0.000 0.000 0.255 238 T C 1.728 176.411 174.700 -0.028 0.000 1.035 238 T CA 0.274 62.339 62.100 -0.058 0.000 0.941 238 T CB -0.220 68.574 68.868 -0.125 0.000 1.026 238 T HN 0.692 nan 8.240 nan 0.000 0.533 239 Q N 2.193 121.987 119.800 -0.010 0.000 2.248 239 Q HA -0.078 4.262 4.340 -0.000 0.000 0.208 239 Q C 0.881 176.914 176.000 0.055 0.000 0.984 239 Q CA 1.417 57.232 55.803 0.020 0.000 0.875 239 Q CB -0.423 28.347 28.738 0.053 0.000 0.910 239 Q HN 0.655 nan 8.270 nan 0.000 0.433 240 S N -2.317 113.443 115.700 0.099 0.000 2.671 240 S HA 0.730 5.200 4.470 -0.000 0.000 0.277 240 S C 0.368 175.004 174.600 0.061 0.000 1.165 240 S CA -0.618 57.622 58.200 0.066 0.000 0.822 240 S CB 1.050 64.282 63.200 0.053 0.000 1.150 240 S HN 0.167 nan 8.310 nan 0.000 0.479 241 A N 0.614 123.453 122.820 0.031 0.000 2.015 241 A HA 0.202 4.522 4.320 -0.000 0.000 0.219 241 A C 1.210 178.802 177.584 0.014 0.000 1.163 241 A CA 0.812 52.864 52.037 0.026 0.000 0.646 241 A CB -1.297 17.713 19.000 0.018 0.000 0.806 241 A HN 1.042 nan 8.150 nan 0.000 0.448 242 I N -0.122 120.435 120.570 -0.023 0.000 2.742 242 I HA 0.198 4.368 4.170 -0.000 0.000 0.287 242 I C -2.378 173.666 176.117 -0.120 0.000 1.186 242 I CA -1.599 59.647 61.300 -0.090 0.000 1.417 242 I CB 0.220 38.113 38.000 -0.177 0.000 1.377 242 I HN 0.030 nan 8.210 nan 0.000 0.556 243 P HA 0.184 nan 4.420 nan 0.000 0.275 243 P C -1.412 175.846 177.300 -0.070 0.000 1.227 243 P CA 0.272 63.374 63.100 0.003 0.000 0.781 243 P CB 0.617 32.355 31.700 0.065 0.000 0.906 244 Y N 0.800 121.117 120.300 0.028 0.000 2.496 244 Y HA 0.577 5.127 4.550 -0.000 0.000 0.331 244 Y C 0.680 176.589 175.900 0.015 0.000 1.140 244 Y CA -0.615 57.532 58.100 0.078 0.000 1.166 244 Y CB 1.752 40.317 38.460 0.175 0.000 1.249 244 Y HN 0.429 nan 8.280 nan 0.000 0.479 245 A N 2.191 125.164 122.820 0.255 0.000 2.355 245 A HA 0.663 4.983 4.320 -0.000 0.000 0.317 245 A C -1.852 175.900 177.584 0.280 0.000 1.094 245 A CA -0.667 51.462 52.037 0.153 0.000 0.764 245 A CB 0.975 20.089 19.000 0.191 0.000 1.230 245 A HN 0.692 nan 8.150 nan 0.000 0.448 246 L N 2.255 123.603 121.223 0.209 0.000 2.282 246 L HA 0.733 5.073 4.340 -0.000 0.000 0.288 246 L C 0.092 177.051 176.870 0.148 0.000 1.033 246 L CA -0.244 54.620 54.840 0.040 0.000 0.807 246 L CB 1.029 42.867 42.059 -0.369 0.000 1.209 246 L HN 0.762 nan 8.230 nan 0.000 0.423 247 R N 4.123 124.686 120.500 0.104 0.000 2.514 247 R HA 0.752 5.092 4.340 -0.000 0.000 0.301 247 R C -1.824 174.339 176.300 -0.228 0.000 0.962 247 R CA -0.701 55.365 56.100 -0.056 0.000 0.882 247 R CB 1.755 31.916 30.300 -0.232 0.000 1.143 247 R HN 0.570 nan 8.270 nan 0.000 0.452 248 V N 4.331 124.092 119.914 -0.256 0.000 2.350 248 V HA 0.283 4.403 4.120 -0.000 0.000 0.285 248 V C -0.555 175.257 176.094 -0.470 0.000 1.014 248 V CA -0.630 61.436 62.300 -0.390 0.000 0.831 248 V CB 1.446 32.955 31.823 -0.524 0.000 1.000 248 V HN 0.838 nan 8.190 nan 0.000 0.433 249 E N 5.450 125.386 120.200 -0.439 0.000 2.156 249 E HA 0.650 5.000 4.350 -0.000 0.000 0.279 249 E C -1.189 175.172 176.600 -0.399 0.000 0.965 249 E CA -0.495 55.653 56.400 -0.419 0.000 0.789 249 E CB 2.092 31.572 29.700 -0.366 0.000 1.098 249 E HN 0.510 nan 8.360 nan 0.000 0.397 250 L N 2.282 123.239 121.223 -0.444 0.000 2.362 250 L HA 0.527 4.867 4.340 -0.000 0.000 0.271 250 L C -0.328 176.432 176.870 -0.184 0.000 1.002 250 L CA -0.700 53.943 54.840 -0.327 0.000 0.818 250 L CB 2.018 43.825 42.059 -0.419 0.000 1.298 250 L HN 0.533 nan 8.230 nan 0.000 0.420 251 E N 1.739 121.941 120.200 0.004 0.000 2.260 251 E HA 0.223 4.573 4.350 -0.000 0.000 0.266 251 E C -1.466 175.219 176.600 0.142 0.000 0.887 251 E CA -0.694 55.758 56.400 0.086 0.000 0.777 251 E CB 1.817 31.486 29.700 -0.052 0.000 1.205 251 E HN 0.678 nan 8.360 nan 0.000 0.414 252 D N 2.185 122.762 120.400 0.295 0.000 2.398 252 D HA -0.003 4.637 4.640 -0.000 0.000 0.264 252 D C 0.283 176.637 176.300 0.089 0.000 1.263 252 D CA -0.199 53.961 54.000 0.266 0.000 1.037 252 D CB 0.246 41.174 40.800 0.213 0.000 1.101 252 D HN 0.527 nan 8.370 nan 0.000 0.551 253 W N -1.482 119.948 121.300 0.217 0.000 3.405 253 W HA 0.280 4.940 4.660 -0.000 0.000 0.300 253 W C 0.547 177.129 176.519 0.105 0.000 1.286 253 W CA -0.289 57.133 57.345 0.129 0.000 1.762 253 W CB -0.600 28.922 29.460 0.103 0.000 1.087 253 W HN 0.316 nan 8.180 nan 0.000 0.703 254 N N -0.759 118.084 118.700 0.239 0.000 2.238 254 N HA 0.234 4.974 4.740 -0.000 0.000 0.235 254 N C 1.444 177.016 175.510 0.103 0.000 1.209 254 N CA 0.570 53.711 53.050 0.151 0.000 0.879 254 N CB 1.010 39.563 38.487 0.111 0.000 1.136 254 N HN 0.028 nan 8.380 nan 0.000 0.517 255 G N 0.820 109.672 108.800 0.088 0.000 2.234 255 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 255 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 255 G C 0.257 175.203 174.900 0.078 0.000 0.987 255 G CA -0.100 45.035 45.100 0.059 0.000 0.625 255 G HN 0.281 nan 8.290 nan 0.000 0.532 256 R N 1.357 121.932 120.500 0.125 0.000 2.543 256 R HA 0.509 4.849 4.340 -0.000 0.000 0.277 256 R C 0.661 177.123 176.300 0.270 0.000 1.074 256 R CA 0.879 57.088 56.100 0.183 0.000 1.076 256 R CB 0.621 31.046 30.300 0.209 0.000 0.993 256 R HN 0.458 nan 8.270 nan 0.000 0.459 257 T N -1.559 113.093 114.554 0.163 0.000 2.916 257 T HA 0.660 5.010 4.350 -0.000 0.000 0.292 257 T C -0.356 174.212 174.700 -0.219 0.000 1.055 257 T CA -0.841 61.253 62.100 -0.010 0.000 1.009 257 T CB 1.964 70.781 68.868 -0.087 0.000 1.118 257 T HN 0.618 nan 8.240 nan 0.000 0.497 258 S N 0.060 115.407 115.700 -0.589 0.000 2.656 258 S HA 0.905 5.375 4.470 -0.000 0.000 0.273 258 S C -0.539 173.692 174.600 -0.615 0.000 1.168 258 S CA -0.408 57.368 58.200 -0.707 0.000 0.817 258 S CB 1.474 63.842 63.200 -1.387 0.000 1.146 258 S HN 1.578 nan 8.310 nan 0.000 0.475 259 T N -2.540 111.726 114.554 -0.480 0.000 2.812 259 T HA 0.901 5.251 4.350 -0.000 0.000 0.294 259 T C -0.954 173.569 174.700 -0.294 0.000 1.159 259 T CA -0.616 61.246 62.100 -0.396 0.000 1.008 259 T CB 1.288 69.986 68.868 -0.284 0.000 1.289 259 T HN 2.103 nan 8.240 nan 0.000 0.514 260 A N 1.428 124.114 122.820 -0.225 0.000 2.485 260 A HA 0.624 4.944 4.320 -0.000 0.000 0.285 260 A C -1.676 175.871 177.584 -0.063 0.000 1.045 260 A CA -0.827 51.195 52.037 -0.025 0.000 0.792 260 A CB 1.016 20.092 19.000 0.127 0.000 1.307 260 A HN 0.760 nan 8.150 nan 0.000 0.406 261 D N 0.994 121.261 120.400 -0.221 0.000 2.163 261 D HA 0.594 5.234 4.640 -0.000 0.000 0.248 261 D C -1.257 174.824 176.300 -0.366 0.000 1.035 261 D CA 0.486 54.392 54.000 -0.156 0.000 0.872 261 D CB 1.234 41.984 40.800 -0.083 0.000 1.183 261 D HN 0.418 nan 8.370 nan 0.000 0.445 262 Y N 0.134 120.434 120.300 0.000 0.000 2.329 262 Y HA 0.478 5.028 4.550 -0.000 0.000 0.328 262 Y C 0.326 176.135 175.900 -0.152 0.000 0.992 262 Y CA -1.092 56.974 58.100 -0.057 0.000 1.151 262 Y CB 1.669 40.046 38.460 -0.139 0.000 1.150 262 Y HN 0.411 nan 8.280 nan 0.000 0.450 263 A N 2.929 125.568 122.820 -0.302 0.000 2.386 263 A HA 0.513 4.833 4.320 -0.000 0.000 0.248 263 A C 0.416 177.743 177.584 -0.428 0.000 1.082 263 A CA -0.419 51.131 52.037 -0.812 0.000 0.789 263 A CB 0.008 18.174 19.000 -1.389 0.000 1.025 263 A HN 0.934 nan 8.150 nan 0.000 0.490 264 M N 0.033 119.344 119.600 -0.482 0.000 2.249 264 M HA -0.171 4.309 4.480 -0.000 0.000 0.198 264 M C -0.341 175.991 176.300 0.052 0.000 0.394 264 M CA 0.523 55.740 55.300 -0.137 0.000 0.427 264 M CB -2.017 30.540 32.600 -0.072 0.000 1.307 264 M HN 0.683 nan 8.290 nan 0.000 0.924 265 F N 1.203 121.162 119.950 0.015 0.000 2.504 265 F HA 0.515 5.042 4.527 -0.000 0.000 0.369 265 F C 0.320 176.159 175.800 0.065 0.000 1.082 265 F CA 0.074 58.127 58.000 0.087 0.000 1.216 265 F CB 0.361 39.429 39.000 0.113 0.000 1.108 265 F HN 0.123 nan 8.300 nan 0.000 0.554 266 K N 4.163 124.016 120.400 -0.912 0.000 2.527 266 K HA 0.632 4.952 4.320 -0.000 0.000 0.260 266 K C -1.648 174.502 176.600 -0.750 0.000 0.937 266 K CA -0.728 55.107 56.287 -0.752 0.000 0.826 266 K CB 2.452 34.792 32.500 -0.267 0.000 1.359 266 K HN 0.391 nan 8.250 nan 0.000 0.434 267 V N 2.105 121.734 119.914 -0.474 0.000 2.409 267 V HA 0.574 4.694 4.120 -0.000 0.000 0.291 267 V C 0.555 176.710 176.094 0.102 0.000 1.020 267 V CA -0.839 61.375 62.300 -0.143 0.000 0.848 267 V CB 1.597 33.413 31.823 -0.013 0.000 0.990 267 V HN 0.873 nan 8.190 nan 0.000 0.430 268 G N 5.990 114.833 108.800 0.072 0.000 2.684 268 G HA2 0.411 4.370 3.960 -0.000 0.000 0.255 268 G HA3 0.411 4.370 3.960 -0.000 0.000 0.255 268 G C -2.398 172.333 174.900 -0.283 0.000 1.219 268 G CA -0.791 44.308 45.100 -0.002 0.000 0.901 268 G HN 0.556 nan 8.290 nan 0.000 0.548 269 P HA 0.108 nan 4.420 nan 0.000 0.274 269 P C 0.440 177.265 177.300 -0.792 0.000 1.246 269 P CA -0.248 62.314 63.100 -0.896 0.000 0.795 269 P CB 1.564 33.014 31.700 -0.417 0.000 1.006 270 E N 1.257 120.887 120.200 -0.949 0.000 2.118 270 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 270 E C 1.881 178.246 176.600 -0.392 0.000 0.992 270 E CA 1.514 57.342 56.400 -0.953 0.000 0.804 270 E CB -0.551 28.884 29.700 -0.441 0.000 0.741 270 E HN 0.478 nan 8.360 nan 0.000 0.458 271 A N 0.775 123.436 122.820 -0.266 0.000 2.024 271 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 271 A C 1.737 179.242 177.584 -0.132 0.000 1.164 271 A CA 1.838 53.785 52.037 -0.150 0.000 0.643 271 A CB -0.210 18.727 19.000 -0.104 0.000 0.806 271 A HN 0.305 nan 8.150 nan 0.000 0.451 272 D N -1.049 119.253 120.400 -0.163 0.000 2.463 272 D HA 0.138 4.778 4.640 -0.000 0.000 0.224 272 D C -0.202 176.071 176.300 -0.044 0.000 1.174 272 D CA -0.119 53.829 54.000 -0.087 0.000 0.829 272 D CB -0.163 40.598 40.800 -0.066 0.000 0.993 272 D HN 0.056 nan 8.370 nan 0.000 0.497 273 K N 0.646 121.003 120.400 -0.072 0.000 3.077 273 K HA -0.265 4.055 4.320 -0.000 0.000 0.264 273 K C -0.568 176.204 176.600 0.288 0.000 1.008 273 K CA 0.383 56.759 56.287 0.148 0.000 0.740 273 K CB -2.782 29.841 32.500 0.204 0.000 1.273 273 K HN 0.497 nan 8.250 nan 0.000 0.477 274 Y N -1.489 118.901 120.300 0.150 0.000 2.981 274 Y HA -0.317 4.233 4.550 -0.000 0.000 0.204 274 Y C 1.075 177.174 175.900 0.332 0.000 1.265 274 Y CA 1.138 59.314 58.100 0.126 0.000 0.941 274 Y CB -1.481 36.992 38.460 0.022 0.000 1.254 274 Y HN 0.316 nan 8.280 nan 0.000 0.469 275 R N 1.283 121.965 120.500 0.302 0.000 2.537 275 R HA 0.302 4.642 4.340 -0.000 0.000 0.280 275 R C -0.034 176.319 176.300 0.087 0.000 1.058 275 R CA -0.680 55.570 56.100 0.249 0.000 1.057 275 R CB 0.409 30.771 30.300 0.103 0.000 0.973 275 R HN 0.384 nan 8.270 nan 0.000 0.438 276 L N 4.753 125.886 121.223 -0.150 0.000 2.313 276 L HA 0.276 4.616 4.340 -0.000 0.000 0.282 276 L C -0.436 176.239 176.870 -0.325 0.000 1.092 276 L CA 0.535 55.033 54.840 -0.570 0.000 0.831 276 L CB 1.315 42.499 42.059 -1.458 0.000 1.159 276 L HN 0.812 nan 8.230 nan 0.000 0.442 277 T N 2.461 116.855 114.554 -0.266 0.000 2.906 277 T HA 0.800 5.150 4.350 -0.000 0.000 0.295 277 T C -1.038 173.649 174.700 -0.022 0.000 1.075 277 T CA -0.429 61.565 62.100 -0.178 0.000 1.005 277 T CB 1.629 70.407 68.868 -0.149 0.000 1.136 277 T HN 0.796 nan 8.240 nan 0.000 0.498 278 Y N -0.657 119.617 120.300 -0.043 0.000 2.522 278 Y HA 0.723 5.273 4.550 -0.000 0.000 0.326 278 Y C 0.514 176.460 175.900 0.077 0.000 1.198 278 Y CA -0.870 57.253 58.100 0.039 0.000 1.112 278 Y CB 0.493 39.057 38.460 0.175 0.000 1.342 278 Y HN 0.782 nan 8.280 nan 0.000 0.460 279 A N 2.759 125.680 122.820 0.168 0.000 1.845 279 A HA 0.226 4.546 4.320 -0.000 0.000 0.215 279 A C 0.006 177.844 177.584 0.424 0.000 1.195 279 A CA 2.411 54.568 52.037 0.200 0.000 0.616 279 A CB -0.705 18.427 19.000 0.220 0.000 0.832 279 A HN 1.251 nan 8.150 nan 0.000 0.443 280 Y N -5.889 114.708 120.300 0.494 0.000 2.689 280 Y HA 0.592 5.142 4.550 -0.000 0.000 0.333 280 Y C -0.827 175.411 175.900 0.562 0.000 1.208 280 Y CA -2.537 55.891 58.100 0.546 0.000 1.055 280 Y CB 0.218 38.866 38.460 0.312 0.000 1.304 280 Y HN 0.094 nan 8.280 nan 0.000 0.455 281 F N 2.866 123.092 119.950 0.460 0.000 2.462 281 F HA 0.590 5.117 4.527 -0.000 0.000 0.360 281 F C 0.847 176.703 175.800 0.094 0.000 1.134 281 F CA -0.875 57.135 58.000 0.017 0.000 1.148 281 F CB 0.806 39.836 39.000 0.049 0.000 1.147 281 F HN 0.783 nan 8.300 nan 0.000 0.550 282 A N 4.854 127.443 122.820 -0.386 0.000 2.252 282 A HA 0.470 4.790 4.320 -0.000 0.000 0.207 282 A C 1.178 178.429 177.584 -0.555 0.000 1.194 282 A CA 0.643 52.533 52.037 -0.246 0.000 0.809 282 A CB -1.458 17.508 19.000 -0.057 0.000 0.814 282 A HN 1.705 nan 8.150 nan 0.000 0.482 283 G N -2.919 105.013 108.800 -1.447 0.000 2.619 283 G HA2 0.518 4.478 3.960 -0.000 0.000 0.686 283 G HA3 0.518 4.478 3.960 -0.000 0.000 0.686 283 G C 0.042 174.506 174.900 -0.726 0.000 1.256 283 G CA -0.429 44.006 45.100 -1.108 0.000 0.826 283 G HN 2.315 nan 8.290 nan 0.000 0.619 284 G N -0.101 108.550 108.800 -0.248 0.000 2.343 284 G HA2 0.587 4.546 3.960 -0.000 0.000 0.298 284 G HA3 0.587 4.546 3.960 -0.000 0.000 0.298 284 G C 0.198 175.143 174.900 0.074 0.000 1.644 284 G CA 0.655 45.722 45.100 -0.056 0.000 0.958 284 G HN 1.669 nan 8.290 nan 0.000 0.702 285 D N -0.123 120.262 120.400 -0.024 0.000 2.371 285 D HA 0.101 4.741 4.640 -0.000 0.000 0.221 285 D C 1.923 178.192 176.300 -0.051 0.000 0.986 285 D CA 1.130 55.128 54.000 -0.004 0.000 0.899 285 D CB 0.052 40.835 40.800 -0.028 0.000 0.902 285 D HN 0.748 nan 8.370 nan 0.000 0.530 286 A N 0.345 123.065 122.820 -0.168 0.000 2.123 286 A HA 0.481 4.801 4.320 -0.000 0.000 0.214 286 A C 1.362 179.133 177.584 0.312 0.000 1.152 286 A CA 0.766 52.648 52.037 -0.258 0.000 0.728 286 A CB -0.500 18.161 19.000 -0.565 0.000 0.814 286 A HN 0.615 nan 8.150 nan 0.000 0.464 287 G N -0.613 108.380 108.800 0.322 0.000 2.712 287 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.686 287 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.686 287 G C -0.768 174.160 174.900 0.045 0.000 1.321 287 G CA -0.093 45.152 45.100 0.243 0.000 0.813 287 G HN 0.368 nan 8.290 nan 0.000 0.599 288 D N 0.985 121.095 120.400 -0.483 0.000 2.517 288 D HA 0.583 5.223 4.640 -0.000 0.000 0.220 288 D C 1.372 177.477 176.300 -0.325 0.000 1.158 288 D CA 0.728 54.286 54.000 -0.737 0.000 0.992 288 D CB 0.401 40.517 40.800 -1.139 0.000 1.058 288 D HN 0.895 nan 8.370 nan 0.000 0.516 289 A N 3.262 125.725 122.820 -0.596 0.000 2.014 289 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 289 A C 1.549 179.033 177.584 -0.167 0.000 1.163 289 A CA 0.439 52.032 52.037 -0.741 0.000 0.652 289 A CB -0.507 17.376 19.000 -1.861 0.000 0.808 289 A HN 0.501 nan 8.150 nan 0.000 0.449 290 F N 0.285 120.140 119.950 -0.159 0.000 2.583 290 F HA -0.045 4.482 4.527 -0.000 0.000 0.297 290 F C 1.550 177.513 175.800 0.273 0.000 1.131 290 F CA 0.977 59.060 58.000 0.138 0.000 1.467 290 F CB -0.491 38.482 39.000 -0.045 0.000 1.097 290 F HN 0.295 nan 8.300 nan 0.000 0.586 291 D N -0.624 119.983 120.400 0.346 0.000 2.349 291 D HA 0.290 4.930 4.640 -0.000 0.000 0.214 291 D C 0.952 177.346 176.300 0.157 0.000 1.063 291 D CA 0.924 55.077 54.000 0.255 0.000 0.847 291 D CB 0.248 41.163 40.800 0.191 0.000 0.933 291 D HN 0.240 nan 8.370 nan 0.000 0.513 292 G N -0.192 108.708 108.800 0.166 0.000 2.707 292 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.686 292 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.686 292 G C -1.040 173.921 174.900 0.102 0.000 1.315 292 G CA -0.521 44.657 45.100 0.129 0.000 0.832 292 G HN 0.170 nan 8.290 nan 0.000 0.573 293 F N 0.573 120.426 119.950 -0.161 0.000 2.569 293 F HA 0.569 5.096 4.527 -0.000 0.000 0.312 293 F C -0.474 175.055 175.800 -0.451 0.000 1.109 293 F CA -0.993 56.739 58.000 -0.445 0.000 0.919 293 F CB 2.254 40.710 39.000 -0.908 0.000 1.211 293 F HN 0.495 nan 8.300 nan 0.000 0.446 294 D N 5.118 124.897 120.400 -1.036 0.000 2.470 294 D HA 0.075 4.715 4.640 -0.000 0.000 0.226 294 D C 0.453 176.416 176.300 -0.560 0.000 1.196 294 D CA 0.223 53.867 54.000 -0.593 0.000 0.979 294 D CB -0.133 40.367 40.800 -0.501 0.000 1.059 294 D HN 0.412 nan 8.370 nan 0.000 0.515 295 F N 1.816 121.778 119.950 0.020 0.000 2.816 295 F HA 0.209 4.736 4.527 -0.000 0.000 0.302 295 F C 1.915 177.769 175.800 0.091 0.000 1.178 295 F CA 0.651 58.766 58.000 0.192 0.000 1.421 295 F CB -0.188 38.929 39.000 0.194 0.000 1.114 295 F HN 0.520 nan 8.300 nan 0.000 0.573 296 G N 0.382 109.270 108.800 0.146 0.000 2.582 296 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.222 296 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.222 296 G C 0.041 175.002 174.900 0.102 0.000 1.311 296 G CA -0.593 44.566 45.100 0.099 0.000 0.915 296 G HN 0.442 nan 8.290 nan 0.000 0.528 297 D N -0.339 120.109 120.400 0.079 0.000 3.334 297 D HA -0.315 4.325 4.640 -0.000 0.000 0.173 297 D C 0.352 176.694 176.300 0.071 0.000 1.168 297 D CA 1.820 55.862 54.000 0.069 0.000 0.991 297 D CB -1.385 39.459 40.800 0.074 0.000 0.522 297 D HN 1.601 nan 8.370 nan 0.000 0.532 298 D N 1.898 122.345 120.400 0.078 0.000 3.046 298 D HA -0.038 4.602 4.640 -0.000 0.000 0.213 298 D C -1.395 174.964 176.300 0.098 0.000 1.074 298 D CA 0.296 54.349 54.000 0.088 0.000 0.785 298 D CB 0.738 41.599 40.800 0.102 0.000 1.160 298 D HN 0.098 nan 8.370 nan 0.000 0.524 299 P HA -0.085 nan 4.420 nan 0.000 0.221 299 P C 0.898 178.264 177.300 0.110 0.000 1.150 299 P CA 0.711 63.854 63.100 0.071 0.000 0.800 299 P CB 0.124 31.851 31.700 0.045 0.000 0.787 300 S N -0.313 115.494 115.700 0.178 0.000 2.507 300 S HA -0.108 4.362 4.470 -0.000 0.000 0.235 300 S C 1.262 176.071 174.600 0.349 0.000 0.988 300 S CA 0.882 59.263 58.200 0.301 0.000 0.944 300 S CB -0.993 62.514 63.200 0.512 0.000 0.762 300 S HN 0.165 nan 8.310 nan 0.000 0.526 301 D N 2.208 122.763 120.400 0.259 0.000 2.242 301 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 301 D C 1.807 178.252 176.300 0.241 0.000 1.005 301 D CA 1.414 55.575 54.000 0.267 0.000 0.856 301 D CB -0.308 40.640 40.800 0.247 0.000 1.001 301 D HN 0.330 nan 8.370 nan 0.000 0.452 302 K N -0.780 119.704 120.400 0.139 0.000 2.074 302 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 302 K C 2.188 178.849 176.600 0.102 0.000 1.048 302 K CA 1.011 57.345 56.287 0.077 0.000 0.926 302 K CB -0.330 32.164 32.500 -0.009 0.000 0.713 302 K HN 0.117 nan 8.250 nan 0.000 0.444 303 F N 0.470 120.390 119.950 -0.050 0.000 2.102 303 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 303 F C 1.292 176.981 175.800 -0.184 0.000 1.105 303 F CA 1.253 59.149 58.000 -0.175 0.000 1.239 303 F CB -0.348 38.450 39.000 -0.338 0.000 0.991 303 F HN -0.065 nan 8.300 nan 0.000 0.474 304 F N 0.693 120.497 119.950 -0.244 0.000 2.795 304 F HA 0.094 4.621 4.527 -0.000 0.000 0.303 304 F C 1.661 177.319 175.800 -0.236 0.000 1.186 304 F CA 0.946 58.730 58.000 -0.359 0.000 1.415 304 F CB -1.005 37.896 39.000 -0.165 0.000 1.106 304 F HN 0.135 nan 8.300 nan 0.000 0.558 305 T N -4.488 110.064 114.554 -0.005 0.000 3.209 305 T HA 0.183 4.533 4.350 -0.000 0.000 0.295 305 T C 0.487 175.136 174.700 -0.084 0.000 0.977 305 T CA -0.098 62.011 62.100 0.015 0.000 0.922 305 T CB -0.559 68.482 68.868 0.290 0.000 1.152 305 T HN 0.043 nan 8.240 nan 0.000 0.527 306 S N 0.679 116.296 115.700 -0.138 0.000 2.586 306 S HA 0.446 4.916 4.470 -0.000 0.000 0.274 306 S C 0.193 174.670 174.600 -0.205 0.000 1.281 306 S CA -0.465 57.708 58.200 -0.045 0.000 1.035 306 S CB 0.919 64.118 63.200 0.000 0.000 0.962 306 S HN 0.405 nan 8.310 nan 0.000 0.512 307 H N -0.051 119.078 119.070 0.098 0.000 2.740 307 H HA 0.364 4.920 4.556 -0.000 0.000 0.265 307 H C 0.310 175.563 175.328 -0.125 0.000 0.978 307 H CA -0.236 55.798 56.048 -0.023 0.000 1.198 307 H CB -0.008 29.668 29.762 -0.143 0.000 1.467 307 H HN 0.516 nan 8.280 nan 0.000 0.511 308 N N 1.034 119.761 118.700 0.045 0.000 2.412 308 N HA 0.047 4.787 4.740 -0.000 0.000 0.258 308 N C 1.131 176.564 175.510 -0.129 0.000 1.236 308 N CA 1.400 54.373 53.050 -0.127 0.000 0.882 308 N CB 0.436 38.728 38.487 -0.325 0.000 1.066 308 N HN 0.661 nan 8.380 nan 0.000 0.465 309 G N 2.235 110.943 108.800 -0.154 0.000 2.148 309 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 309 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 309 G C 0.048 174.936 174.900 -0.019 0.000 0.981 309 G CA 0.139 45.189 45.100 -0.083 0.000 0.670 309 G HN 0.481 nan 8.290 nan 0.000 0.528 310 M N 0.411 120.008 119.600 -0.006 0.000 2.277 310 M HA 0.391 4.871 4.480 -0.000 0.000 0.350 310 M C 0.771 177.221 176.300 0.251 0.000 1.180 310 M CA -0.342 55.018 55.300 0.101 0.000 1.103 310 M CB 1.121 33.798 32.600 0.128 0.000 1.577 310 M HN 0.296 nan 8.290 nan 0.000 0.459 311 Q N 0.683 120.638 119.800 0.258 0.000 2.260 311 Q HA 0.400 4.740 4.340 -0.000 0.000 0.238 311 Q C -0.965 175.275 176.000 0.401 0.000 0.948 311 Q CA -0.425 55.588 55.803 0.349 0.000 0.895 311 Q CB 1.276 30.147 28.738 0.222 0.000 1.218 311 Q HN 0.477 nan 8.270 nan 0.000 0.470 312 F N 0.560 120.658 119.950 0.247 0.000 2.418 312 F HA 0.155 4.682 4.527 -0.000 0.000 0.341 312 F C -0.111 175.786 175.800 0.162 0.000 1.120 312 F CA 0.497 58.466 58.000 -0.053 0.000 1.232 312 F CB 0.974 39.828 39.000 -0.243 0.000 1.175 312 F HN 0.309 nan 8.300 nan 0.000 0.569 313 S N 1.820 117.488 115.700 -0.054 0.000 2.536 313 S HA 0.630 5.100 4.470 -0.000 0.000 0.287 313 S C -0.670 173.963 174.600 0.055 0.000 1.101 313 S CA -0.773 57.491 58.200 0.106 0.000 0.950 313 S CB 1.857 65.078 63.200 0.034 0.000 1.056 313 S HN 0.748 nan 8.310 nan 0.000 0.481 314 T N -0.748 113.920 114.554 0.189 0.000 2.907 314 T HA 0.488 4.838 4.350 -0.000 0.000 0.290 314 T C 1.270 176.030 174.700 0.100 0.000 1.066 314 T CA -1.058 61.130 62.100 0.148 0.000 1.012 314 T CB 0.857 69.860 68.868 0.226 0.000 1.184 314 T HN 0.827 nan 8.240 nan 0.000 0.522 315 W N 1.832 123.203 121.300 0.119 0.000 2.342 315 W HA -0.123 4.537 4.660 -0.000 0.000 0.297 315 W C 0.491 177.054 176.519 0.073 0.000 1.213 315 W CA 1.896 59.293 57.345 0.086 0.000 1.251 315 W CB -0.955 28.553 29.460 0.080 0.000 1.136 315 W HN 0.755 nan 8.180 nan 0.000 0.526 316 D N -0.152 119.636 120.400 -1.020 0.000 2.328 316 D HA -0.013 4.627 4.640 -0.000 0.000 0.226 316 D C -0.390 175.636 176.300 -0.456 0.000 1.066 316 D CA 0.050 53.439 54.000 -1.019 0.000 0.861 316 D CB -0.998 38.844 40.800 -1.597 0.000 0.912 316 D HN 0.331 nan 8.370 nan 0.000 0.521 317 N N 0.422 118.963 118.700 -0.266 0.000 2.751 317 N HA 0.014 4.754 4.740 -0.000 0.000 0.234 317 N C -1.673 173.769 175.510 -0.114 0.000 1.403 317 N CA -0.408 52.491 53.050 -0.253 0.000 0.747 317 N CB 0.663 38.887 38.487 -0.438 0.000 1.326 317 N HN -0.148 nan 8.380 nan 0.000 0.532 318 D N 1.173 121.520 120.400 -0.088 0.000 2.346 318 D HA 0.119 4.759 4.640 -0.000 0.000 0.260 318 D C -0.286 175.992 176.300 -0.037 0.000 1.252 318 D CA 0.506 54.488 54.000 -0.030 0.000 0.895 318 D CB 0.472 41.254 40.800 -0.031 0.000 1.097 318 D HN 0.557 nan 8.370 nan 0.000 0.489 319 N N 2.271 120.978 118.700 0.011 0.000 2.305 319 N HA 0.072 4.812 4.740 -0.000 0.000 0.248 319 N C -0.923 174.623 175.510 0.060 0.000 1.290 319 N CA -0.579 52.486 53.050 0.025 0.000 0.873 319 N CB 0.628 39.145 38.487 0.050 0.000 1.261 319 N HN 0.420 nan 8.380 nan 0.000 0.504 320 D N -0.175 120.265 120.400 0.067 0.000 2.411 320 D HA 0.128 4.768 4.640 -0.000 0.000 0.251 320 D C 0.334 176.691 176.300 0.095 0.000 1.201 320 D CA -0.325 53.732 54.000 0.094 0.000 0.996 320 D CB 0.787 41.665 40.800 0.131 0.000 1.101 320 D HN -0.258 nan 8.370 nan 0.000 0.504 321 K N -0.025 120.443 120.400 0.113 0.000 2.994 321 K HA 0.203 4.523 4.320 -0.000 0.000 0.231 321 K C -0.844 175.835 176.600 0.131 0.000 1.174 321 K CA -0.468 55.895 56.287 0.127 0.000 1.221 321 K CB -0.764 31.842 32.500 0.177 0.000 1.166 321 K HN 0.386 nan 8.250 nan 0.000 0.453 322 F N 2.045 121.949 119.950 -0.076 0.000 2.540 322 F HA 0.198 4.725 4.527 -0.000 0.000 0.317 322 F C 1.133 176.885 175.800 -0.081 0.000 1.104 322 F CA -1.702 56.222 58.000 -0.126 0.000 0.913 322 F CB 1.537 40.456 39.000 -0.136 0.000 1.170 322 F HN 0.027 nan 8.300 nan 0.000 0.450 323 E N 2.637 122.632 120.200 -0.341 0.000 2.267 323 E HA 0.007 4.357 4.350 -0.000 0.000 0.197 323 E C 0.943 177.071 176.600 -0.788 0.000 0.998 323 E CA 0.930 57.064 56.400 -0.444 0.000 0.830 323 E CB -0.507 29.044 29.700 -0.249 0.000 0.751 323 E HN 0.656 nan 8.360 nan 0.000 0.491 324 G N 0.752 108.400 108.800 -1.919 0.000 2.606 324 G HA2 0.255 4.215 3.960 -0.000 0.000 0.262 324 G HA3 0.255 4.215 3.960 -0.000 0.000 0.262 324 G C -0.825 173.628 174.900 -0.745 0.000 1.394 324 G CA -0.714 43.540 45.100 -1.410 0.000 1.044 324 G HN 0.206 nan 8.290 nan 0.000 0.553 325 N N -1.058 117.526 118.700 -0.194 0.000 2.706 325 N HA 0.211 4.951 4.740 -0.000 0.000 0.240 325 N C 1.038 176.691 175.510 0.238 0.000 1.039 325 N CA -0.747 52.342 53.050 0.065 0.000 0.888 325 N CB 0.702 39.229 38.487 0.067 0.000 1.128 325 N HN 0.315 nan 8.380 nan 0.000 0.512 326 c N 2.003 120.798 118.600 0.325 0.000 2.398 326 c HA -0.211 4.359 4.570 -0.000 0.000 0.276 326 c C 2.743 176.915 174.090 0.136 0.000 1.222 326 c CA 1.519 57.963 56.329 0.190 0.000 1.746 326 c CB -1.142 41.441 42.510 0.121 0.000 2.039 326 c HN 0.898 nan 8.230 nan 0.000 0.470 327 A N -0.121 122.786 122.820 0.144 0.000 1.877 327 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 327 A C 2.263 179.970 177.584 0.204 0.000 1.186 327 A CA 1.968 54.098 52.037 0.154 0.000 0.620 327 A CB -0.646 18.436 19.000 0.137 0.000 0.822 327 A HN 0.638 nan 8.150 nan 0.000 0.443 328 E N 0.065 120.400 120.200 0.225 0.000 2.106 328 E HA -0.208 4.141 4.350 -0.000 0.000 0.192 328 E C 2.078 178.779 176.600 0.169 0.000 0.984 328 E CA 1.521 58.056 56.400 0.224 0.000 0.806 328 E CB -0.261 29.573 29.700 0.224 0.000 0.750 328 E HN 0.775 nan 8.360 nan 0.000 0.458 329 Q N -0.247 119.659 119.800 0.176 0.000 2.224 329 Q HA -0.112 4.228 4.340 -0.000 0.000 0.203 329 Q C 0.802 176.916 176.000 0.190 0.000 0.970 329 Q CA 1.276 57.192 55.803 0.189 0.000 0.865 329 Q CB 0.201 29.061 28.738 0.203 0.000 0.922 329 Q HN 0.158 nan 8.270 nan 0.000 0.445 330 D N -1.248 119.249 120.400 0.162 0.000 2.433 330 D HA 0.135 4.775 4.640 -0.000 0.000 0.211 330 D C 0.073 176.494 176.300 0.202 0.000 1.114 330 D CA 0.380 54.489 54.000 0.181 0.000 0.837 330 D CB 0.777 41.641 40.800 0.106 0.000 0.984 330 D HN 0.239 nan 8.370 nan 0.000 0.505 331 G N 1.710 110.616 108.800 0.176 0.000 2.370 331 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.293 331 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.293 331 G C 0.320 175.338 174.900 0.197 0.000 0.992 331 G CA 0.887 46.085 45.100 0.162 0.000 1.247 331 G HN 0.505 nan 8.290 nan 0.000 0.505 332 S N -1.065 114.772 115.700 0.228 0.000 2.757 332 S HA 0.898 5.368 4.470 -0.000 0.000 0.285 332 S C -0.198 174.472 174.600 0.117 0.000 1.196 332 S CA -0.007 58.333 58.200 0.233 0.000 0.856 332 S CB 1.682 65.020 63.200 0.229 0.000 1.212 332 S HN 1.887 nan 8.310 nan 0.000 0.516 333 G N 0.138 108.869 108.800 -0.114 0.000 2.702 333 G HA2 0.595 4.555 3.960 -0.000 0.000 0.295 333 G HA3 0.595 4.555 3.960 -0.000 0.000 0.295 333 G C -1.468 172.936 174.900 -0.826 0.000 1.446 333 G CA -0.539 44.096 45.100 -0.776 0.000 0.983 333 G HN 0.657 nan 8.290 nan 0.000 0.520 334 W N 3.124 123.578 121.300 -1.409 0.000 2.937 334 W HA 0.362 5.022 4.660 -0.000 0.000 0.360 334 W C -1.236 174.575 176.519 -1.180 0.000 1.215 334 W CA -1.316 55.255 57.345 -1.289 0.000 1.183 334 W CB 1.323 30.605 29.460 -0.296 0.000 1.458 334 W HN 0.423 nan 8.180 nan 0.000 0.574 335 W N 5.226 125.984 121.300 -0.903 0.000 2.081 335 W HA 0.191 4.851 4.660 -0.000 0.000 0.433 335 W C -0.009 176.541 176.519 0.052 0.000 0.876 335 W CA -0.121 56.995 57.345 -0.381 0.000 1.631 335 W CB -0.217 29.025 29.460 -0.363 0.000 1.757 335 W HN -0.125 nan 8.180 nan 0.000 0.298 336 M N 2.090 121.812 119.600 0.203 0.000 2.250 336 M HA 0.100 4.580 4.480 -0.000 0.000 0.344 336 M C 0.267 176.637 176.300 0.118 0.000 1.150 336 M CA 0.006 55.442 55.300 0.227 0.000 1.147 336 M CB 0.960 33.653 32.600 0.154 0.000 1.498 336 M HN 0.203 nan 8.290 nan 0.000 0.461 337 N N 1.609 120.331 118.700 0.036 0.000 2.653 337 N HA 0.150 4.890 4.740 -0.000 0.000 0.261 337 N C -0.713 174.780 175.510 -0.028 0.000 1.216 337 N CA -0.242 52.802 53.050 -0.010 0.000 0.784 337 N CB 0.685 39.102 38.487 -0.116 0.000 1.327 337 N HN 0.642 nan 8.380 nan 0.000 0.539 338 K N 2.479 122.865 120.400 -0.023 0.000 3.003 338 K HA -0.301 4.019 4.320 -0.000 0.000 0.257 338 K C -0.370 176.030 176.600 -0.332 0.000 0.958 338 K CA 1.152 57.307 56.287 -0.220 0.000 0.707 338 K CB -1.917 30.350 32.500 -0.389 0.000 1.279 338 K HN 0.881 nan 8.250 nan 0.000 0.479 339 c N -3.808 114.665 118.600 -0.211 0.000 0.169 339 c HA -0.210 4.360 4.570 -0.000 0.000 0.017 339 c C 0.093 174.175 174.090 -0.013 0.000 0.171 339 c CA 0.510 56.729 56.329 -0.183 0.000 0.499 339 c CB -1.307 40.931 42.510 -0.454 0.000 3.212 339 c HN 1.058 nan 8.230 nan 0.000 1.118 340 H N -1.218 117.812 119.070 -0.067 0.000 2.932 340 H HA 0.752 5.308 4.556 -0.000 0.000 0.307 340 H C -0.274 175.207 175.328 0.254 0.000 1.391 340 H CA 0.059 56.208 56.048 0.169 0.000 1.130 340 H CB 1.008 30.983 29.762 0.354 0.000 1.836 340 H HN 1.360 nan 8.280 nan 0.000 0.522 341 A N 0.127 123.356 122.820 0.682 0.000 2.263 341 A HA 0.557 4.877 4.320 -0.000 0.000 0.200 341 A C 0.819 178.580 177.584 0.295 0.000 1.428 341 A CA 0.446 52.769 52.037 0.477 0.000 1.050 341 A CB 0.096 19.300 19.000 0.339 0.000 1.226 341 A HN 1.036 nan 8.150 nan 0.000 0.501 342 G N -0.590 108.449 108.800 0.399 0.000 2.557 342 G HA2 0.522 4.482 3.960 -0.000 0.000 0.310 342 G HA3 0.522 4.482 3.960 -0.000 0.000 0.310 342 G C -1.111 173.854 174.900 0.108 0.000 1.328 342 G CA -0.099 45.086 45.100 0.141 0.000 0.945 342 G HN 0.322 nan 8.290 nan 0.000 0.494 343 H N 4.252 123.118 119.070 -0.339 0.000 2.490 343 H HA 0.163 4.719 4.556 -0.000 0.000 0.230 343 H C 0.363 175.130 175.328 -0.936 0.000 1.417 343 H CA -0.489 54.911 56.048 -1.081 0.000 1.449 343 H CB 0.738 29.825 29.762 -1.125 0.000 1.649 343 H HN 0.395 nan 8.280 nan 0.000 0.519 344 L N 1.087 121.516 121.223 -1.322 0.000 2.291 344 L HA -0.052 4.288 4.340 -0.000 0.000 0.214 344 L C 0.947 177.404 176.870 -0.689 0.000 1.120 344 L CA 0.553 54.957 54.840 -0.728 0.000 0.799 344 L CB -0.150 41.773 42.059 -0.227 0.000 0.925 344 L HN 0.386 nan 8.230 nan 0.000 0.446 345 N N 0.646 118.834 118.700 -0.854 0.000 2.295 345 N HA 0.101 4.841 4.740 -0.000 0.000 0.221 345 N C 0.723 175.882 175.510 -0.585 0.000 1.129 345 N CA 0.111 52.881 53.050 -0.467 0.000 0.836 345 N CB 0.254 38.812 38.487 0.118 0.000 1.040 345 N HN 0.167 nan 8.380 nan 0.000 0.494 346 G N -0.438 107.806 108.800 -0.926 0.000 2.653 346 G HA2 0.262 4.222 3.960 -0.000 0.000 0.265 346 G HA3 0.262 4.222 3.960 -0.000 0.000 0.265 346 G C -0.014 174.714 174.900 -0.287 0.000 1.237 346 G CA -0.397 44.282 45.100 -0.701 0.000 0.946 346 G HN 0.023 nan 8.290 nan 0.000 0.522 347 V N 0.152 119.973 119.914 -0.157 0.000 2.585 347 V HA 0.020 4.140 4.120 -0.000 0.000 0.296 347 V C -0.193 175.703 176.094 -0.332 0.000 1.035 347 V CA -0.134 62.024 62.300 -0.238 0.000 1.084 347 V CB 0.685 32.289 31.823 -0.366 0.000 0.953 347 V HN 0.500 nan 8.190 nan 0.000 0.483 348 Y N 6.056 126.146 120.300 -0.350 0.000 2.539 348 Y HA 0.327 4.877 4.550 -0.000 0.000 0.352 348 Y C -0.352 175.357 175.900 -0.318 0.000 1.004 348 Y CA -0.284 57.678 58.100 -0.230 0.000 1.278 348 Y CB 0.049 38.444 38.460 -0.108 0.000 1.136 348 Y HN 0.561 nan 8.280 nan 0.000 0.528 349 Y N 4.080 124.198 120.300 -0.303 0.000 2.326 349 Y HA 0.257 4.807 4.550 -0.000 0.000 0.337 349 Y C 0.306 176.021 175.900 -0.308 0.000 1.023 349 Y CA -0.726 57.210 58.100 -0.274 0.000 1.143 349 Y CB 0.997 39.196 38.460 -0.436 0.000 1.183 349 Y HN 0.501 nan 8.280 nan 0.000 0.485 350 Q N 1.336 121.119 119.800 -0.029 0.000 2.332 350 Q HA 0.404 4.744 4.340 -0.000 0.000 0.263 350 Q C 1.048 176.627 176.000 -0.702 0.000 0.979 350 Q CA 1.361 57.061 55.803 -0.172 0.000 0.885 350 Q CB 0.733 29.489 28.738 0.030 0.000 1.218 350 Q HN 0.936 nan 8.270 nan 0.000 0.405 351 G N 1.875 109.683 108.800 -1.653 0.000 2.284 351 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.247 351 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.247 351 G C 0.836 174.646 174.900 -1.817 0.000 1.012 351 G CA 0.481 44.719 45.100 -1.436 0.000 0.618 351 G HN 1.716 nan 8.290 nan 0.000 0.521 352 G N -1.415 106.332 108.800 -1.753 0.000 4.165 352 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.211 352 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.211 352 G C 0.622 175.165 174.900 -0.596 0.000 1.469 352 G CA 0.859 45.193 45.100 -1.278 0.000 0.964 352 G HN 1.775 nan 8.290 nan 0.000 0.613 353 T N 2.238 116.602 114.554 -0.318 0.000 2.930 353 T HA 0.554 4.904 4.350 -0.000 0.000 0.306 353 T C -0.260 174.462 174.700 0.036 0.000 1.045 353 T CA 1.273 63.370 62.100 -0.005 0.000 1.134 353 T CB 0.850 69.739 68.868 0.035 0.000 0.961 353 T HN 1.413 nan 8.240 nan 0.000 0.545 354 Y N -1.062 119.150 120.300 -0.146 0.000 2.641 354 Y HA 0.627 5.177 4.550 -0.000 0.000 0.333 354 Y C -0.619 175.176 175.900 -0.175 0.000 1.174 354 Y CA -1.614 56.344 58.100 -0.237 0.000 1.057 354 Y CB 0.581 38.682 38.460 -0.599 0.000 1.322 354 Y HN 0.673 nan 8.280 nan 0.000 0.457 355 S N 1.010 116.533 115.700 -0.295 0.000 2.704 355 S HA 0.377 4.847 4.470 -0.000 0.000 0.305 355 S C 0.459 174.733 174.600 -0.543 0.000 1.107 355 S CA -0.529 57.294 58.200 -0.629 0.000 0.993 355 S CB 1.867 64.809 63.200 -0.431 0.000 1.110 355 S HN 0.973 nan 8.310 nan 0.000 0.534 356 K N -0.101 119.781 120.400 -0.863 0.000 2.360 356 K HA 0.014 4.334 4.320 -0.000 0.000 0.201 356 K C 1.766 178.289 176.600 -0.129 0.000 1.046 356 K CA 1.114 57.184 56.287 -0.362 0.000 0.945 356 K CB -0.611 31.677 32.500 -0.354 0.000 0.750 356 K HN 0.569 nan 8.250 nan 0.000 0.464 357 A N 1.805 124.523 122.820 -0.170 0.000 1.873 357 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 357 A C 2.254 179.838 177.584 -0.001 0.000 1.186 357 A CA 1.757 53.743 52.037 -0.084 0.000 0.616 357 A CB -0.700 18.238 19.000 -0.103 0.000 0.823 357 A HN 0.363 nan 8.150 nan 0.000 0.442 358 S N -0.071 115.647 115.700 0.030 0.000 2.370 358 S HA -0.098 4.372 4.470 -0.000 0.000 0.226 358 S C 1.441 176.167 174.600 0.210 0.000 1.033 358 S CA 1.273 59.549 58.200 0.128 0.000 1.011 358 S CB -0.960 62.336 63.200 0.160 0.000 0.852 358 S HN 0.891 nan 8.310 nan 0.000 0.457 359 T N 1.279 115.982 114.554 0.248 0.000 2.932 359 T HA 0.138 4.488 4.350 -0.000 0.000 0.312 359 T C -1.238 173.569 174.700 0.178 0.000 1.071 359 T CA -1.325 60.957 62.100 0.303 0.000 1.128 359 T CB 0.838 69.942 68.868 0.393 0.000 0.984 359 T HN 0.030 nan 8.240 nan 0.000 0.549 360 P HA -0.033 nan 4.420 nan 0.000 0.211 360 P C 1.057 178.408 177.300 0.085 0.000 1.191 360 P CA 1.004 64.170 63.100 0.109 0.000 0.909 360 P CB 0.141 31.907 31.700 0.110 0.000 0.770 361 N N -0.527 118.247 118.700 0.122 0.000 2.521 361 N HA 0.012 4.752 4.740 -0.000 0.000 0.188 361 N C 1.160 176.620 175.510 -0.082 0.000 1.146 361 N CA 1.191 54.301 53.050 0.099 0.000 0.893 361 N CB -0.206 38.433 38.487 0.252 0.000 0.975 361 N HN 0.347 nan 8.380 nan 0.000 0.451 362 G N 0.283 109.053 108.800 -0.051 0.000 2.136 362 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.242 362 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.242 362 G C -0.509 174.261 174.900 -0.217 0.000 0.989 362 G CA 0.074 45.068 45.100 -0.175 0.000 0.682 362 G HN 0.334 nan 8.290 nan 0.000 0.522 363 Y N 0.592 121.013 120.300 0.202 0.000 2.598 363 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 363 Y C 0.421 176.444 175.900 0.206 0.000 1.038 363 Y CA -1.261 56.935 58.100 0.161 0.000 1.100 363 Y CB 0.993 39.463 38.460 0.016 0.000 1.281 363 Y HN 0.221 nan 8.280 nan 0.000 0.488 364 D N 0.755 121.206 120.400 0.086 0.000 2.371 364 D HA 0.023 4.663 4.640 -0.000 0.000 0.256 364 D C -0.154 176.279 176.300 0.220 0.000 1.193 364 D CA -0.068 53.870 54.000 -0.103 0.000 0.881 364 D CB 0.803 41.152 40.800 -0.751 0.000 1.143 364 D HN 0.745 nan 8.370 nan 0.000 0.473 365 N N 1.301 120.244 118.700 0.404 0.000 2.184 365 N HA 0.108 4.848 4.740 -0.000 0.000 0.234 365 N C 0.571 176.312 175.510 0.384 0.000 1.282 365 N CA -0.549 52.736 53.050 0.392 0.000 0.877 365 N CB 0.361 39.054 38.487 0.343 0.000 1.184 365 N HN 0.402 nan 8.380 nan 0.000 0.510 366 G N 0.669 109.675 108.800 0.344 0.000 2.588 366 G HA2 0.452 4.412 3.960 -0.000 0.000 0.278 366 G HA3 0.452 4.412 3.960 -0.000 0.000 0.278 366 G C -0.314 174.625 174.900 0.064 0.000 1.307 366 G CA -0.630 44.571 45.100 0.167 0.000 1.016 366 G HN 0.154 nan 8.290 nan 0.000 0.503 367 I N 1.107 121.644 120.570 -0.054 0.000 2.372 367 I HA 0.175 4.345 4.170 -0.000 0.000 0.298 367 I C 0.620 176.761 176.117 0.040 0.000 1.137 367 I CA 0.403 61.621 61.300 -0.136 0.000 1.314 367 I CB -0.364 37.540 38.000 -0.159 0.000 1.444 367 I HN 0.324 nan 8.210 nan 0.000 0.541 368 I N 2.066 122.692 120.570 0.094 0.000 2.750 368 I HA 0.579 4.749 4.170 -0.000 0.000 0.308 368 I C -1.081 175.235 176.117 0.331 0.000 1.016 368 I CA -0.669 60.763 61.300 0.221 0.000 1.098 368 I CB 2.445 40.569 38.000 0.208 0.000 1.279 368 I HN 0.562 nan 8.210 nan 0.000 0.454 369 W N 5.057 126.423 121.300 0.110 0.000 2.258 369 W HA 0.426 5.085 4.660 -0.000 0.000 0.287 369 W C 0.419 176.972 176.519 0.057 0.000 1.024 369 W CA -0.343 57.064 57.345 0.103 0.000 1.377 369 W CB 1.934 31.477 29.460 0.138 0.000 1.351 369 W HN 0.945 nan 8.180 nan 0.000 0.334 370 A N 1.468 124.197 122.820 -0.152 0.000 1.971 370 A HA -0.339 3.981 4.320 -0.000 0.000 0.222 370 A C 2.000 179.265 177.584 -0.533 0.000 1.182 370 A CA 3.185 54.928 52.037 -0.490 0.000 0.649 370 A CB -0.862 17.607 19.000 -0.885 0.000 0.818 370 A HN 0.589 nan 8.150 nan 0.000 0.458 371 T N -6.135 108.261 114.554 -0.263 0.000 3.035 371 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 371 T C 1.391 176.263 174.700 0.287 0.000 1.109 371 T CA 1.284 63.413 62.100 0.048 0.000 1.119 371 T CB -0.204 68.701 68.868 0.061 0.000 0.900 371 T HN 0.632 nan 8.240 nan 0.000 0.503 372 W N 1.485 122.880 121.300 0.158 0.000 2.777 372 W HA 0.475 5.135 4.660 -0.000 0.000 0.260 372 W C 0.045 176.606 176.519 0.069 0.000 1.194 372 W CA -0.115 57.334 57.345 0.173 0.000 1.447 372 W CB 0.669 30.291 29.460 0.270 0.000 1.009 372 W HN -0.126 nan 8.180 nan 0.000 0.613 373 K N -0.523 119.907 120.400 0.051 0.000 2.522 373 K HA 0.213 4.533 4.320 -0.000 0.000 0.275 373 K C -0.597 175.965 176.600 -0.064 0.000 1.006 373 K CA -0.687 55.521 56.287 -0.132 0.000 0.890 373 K CB 1.067 33.488 32.500 -0.132 0.000 1.475 373 K HN -0.339 nan 8.250 nan 0.000 0.441 374 T N 0.441 114.960 114.554 -0.059 0.000 2.900 374 T HA 0.048 4.398 4.350 -0.000 0.000 0.307 374 T C 1.396 176.078 174.700 -0.029 0.000 1.065 374 T CA 0.085 62.166 62.100 -0.032 0.000 1.105 374 T CB 0.423 69.317 68.868 0.044 0.000 0.979 374 T HN 0.586 nan 8.240 nan 0.000 0.544 375 R N 1.998 122.389 120.500 -0.181 0.000 2.293 375 R HA -0.048 4.292 4.340 -0.000 0.000 0.219 375 R C 0.877 176.846 176.300 -0.553 0.000 1.091 375 R CA 1.136 57.029 56.100 -0.344 0.000 1.004 375 R CB -0.290 29.672 30.300 -0.563 0.000 0.865 375 R HN 0.714 nan 8.270 nan 0.000 0.469 376 W N 0.134 121.339 121.300 -0.158 0.000 3.391 376 W HA 0.238 4.898 4.660 -0.000 0.000 0.372 376 W C -0.483 175.895 176.519 -0.234 0.000 1.171 376 W CA -0.929 56.087 57.345 -0.548 0.000 1.862 376 W CB 0.201 29.381 29.460 -0.466 0.000 1.048 376 W HN 0.004 nan 8.180 nan 0.000 0.726 377 Y N 0.680 121.033 120.300 0.088 0.000 2.329 377 Y HA 0.485 5.035 4.550 -0.000 0.000 0.328 377 Y C -0.402 175.656 175.900 0.263 0.000 0.992 377 Y CA -1.174 57.025 58.100 0.166 0.000 1.151 377 Y CB 1.392 39.886 38.460 0.058 0.000 1.150 377 Y HN -0.312 nan 8.280 nan 0.000 0.450 378 S N 6.914 122.523 115.700 -0.152 0.000 2.462 378 S HA 0.546 5.016 4.470 -0.000 0.000 0.294 378 S C -0.198 174.362 174.600 -0.068 0.000 1.144 378 S CA -0.852 57.325 58.200 -0.039 0.000 1.088 378 S CB 0.245 63.432 63.200 -0.022 0.000 1.009 378 S HN 0.662 nan 8.310 nan 0.000 0.484 379 M N 3.762 123.393 119.600 0.052 0.000 2.219 379 M HA 0.148 4.628 4.480 -0.000 0.000 0.307 379 M C 1.387 177.559 176.300 -0.214 0.000 1.116 379 M CA 0.486 55.816 55.300 0.051 0.000 1.181 379 M CB -0.061 32.572 32.600 0.055 0.000 1.410 379 M HN 0.775 nan 8.290 nan 0.000 0.454 380 K N 0.910 120.939 120.400 -0.618 0.000 2.141 380 K HA 0.082 4.402 4.320 -0.000 0.000 0.202 380 K C 0.073 176.420 176.600 -0.422 0.000 1.045 380 K CA 0.989 56.587 56.287 -1.148 0.000 0.971 380 K CB 0.627 32.232 32.500 -1.492 0.000 0.795 380 K HN 0.494 nan 8.250 nan 0.000 0.459 381 K N 0.035 120.275 120.400 -0.266 0.000 2.443 381 K HA 0.334 4.654 4.320 -0.000 0.000 0.251 381 K C -1.296 175.220 176.600 -0.140 0.000 0.972 381 K CA -0.739 55.456 56.287 -0.155 0.000 0.833 381 K CB 2.366 34.773 32.500 -0.156 0.000 1.317 381 K HN -0.139 nan 8.250 nan 0.000 0.441 382 T N 0.637 115.104 114.554 -0.145 0.000 2.923 382 T HA 0.467 4.817 4.350 -0.000 0.000 0.311 382 T C -1.601 172.975 174.700 -0.206 0.000 1.183 382 T CA -0.538 61.454 62.100 -0.179 0.000 1.020 382 T CB 1.876 70.645 68.868 -0.165 0.000 1.165 382 T HN 0.577 nan 8.240 nan 0.000 0.482 383 T N 3.073 117.474 114.554 -0.255 0.000 3.237 383 T HA 0.463 4.813 4.350 -0.000 0.000 0.319 383 T C -0.915 173.561 174.700 -0.372 0.000 1.037 383 T CA -0.608 61.313 62.100 -0.298 0.000 1.048 383 T CB 0.936 69.634 68.868 -0.283 0.000 1.081 383 T HN 0.449 nan 8.240 nan 0.000 0.455 384 M N 4.188 123.494 119.600 -0.490 0.000 2.125 384 M HA 0.507 4.987 4.480 -0.000 0.000 0.321 384 M C -0.340 175.444 176.300 -0.860 0.000 0.983 384 M CA -0.662 54.201 55.300 -0.728 0.000 0.934 384 M CB 1.593 33.599 32.600 -0.991 0.000 1.542 384 M HN 0.565 nan 8.290 nan 0.000 0.424 385 K N 3.864 123.976 120.400 -0.480 0.000 2.536 385 K HA 0.879 5.199 4.320 -0.000 0.000 0.269 385 K C -1.334 175.411 176.600 0.241 0.000 0.965 385 K CA -0.964 55.262 56.287 -0.101 0.000 0.860 385 K CB 2.382 34.850 32.500 -0.054 0.000 1.423 385 K HN 0.762 nan 8.250 nan 0.000 0.438 386 I N -1.287 119.556 120.570 0.455 0.000 3.002 386 I HA 0.752 4.922 4.170 -0.000 0.000 0.310 386 I C -0.954 175.384 176.117 0.369 0.000 1.087 386 I CA -1.307 60.274 61.300 0.467 0.000 1.017 386 I CB 2.087 40.290 38.000 0.338 0.000 1.226 386 I HN 0.809 nan 8.210 nan 0.000 0.443 387 I N 2.350 123.025 120.570 0.175 0.000 2.842 387 I HA 0.451 4.621 4.170 -0.000 0.000 0.297 387 I C -2.815 173.312 176.117 0.017 0.000 1.380 387 I CA -2.038 59.180 61.300 -0.136 0.000 1.018 387 I CB 3.254 40.635 38.000 -1.032 0.000 1.311 387 I HN 0.410 nan 8.210 nan 0.000 0.439 388 P HA 0.034 nan 4.420 nan 0.000 0.264 388 P C 0.275 177.536 177.300 -0.064 0.000 1.193 388 P CA 0.102 63.019 63.100 -0.306 0.000 0.763 388 P CB 0.247 31.738 31.700 -0.347 0.000 0.810 389 F N 4.877 124.723 119.950 -0.173 0.000 2.063 389 F HA -0.326 4.201 4.527 -0.000 0.000 0.298 389 F C 1.957 177.697 175.800 -0.100 0.000 1.105 389 F CA 2.362 60.306 58.000 -0.093 0.000 1.215 389 F CB -1.261 37.710 39.000 -0.049 0.000 0.972 389 F HN 0.403 nan 8.300 nan 0.000 0.483 390 N N 0.603 119.272 118.700 -0.051 0.000 2.182 390 N HA -0.266 4.474 4.740 -0.000 0.000 0.192 390 N C 1.447 176.863 175.510 -0.157 0.000 1.007 390 N CA 1.497 54.455 53.050 -0.153 0.000 0.873 390 N CB -1.107 37.314 38.487 -0.110 0.000 0.998 390 N HN 0.207 nan 8.380 nan 0.000 0.436 391 R N 0.106 120.521 120.500 -0.141 0.000 2.377 391 R HA 0.119 4.459 4.340 -0.000 0.000 0.207 391 R C 1.285 177.508 176.300 -0.128 0.000 1.075 391 R CA 0.299 56.307 56.100 -0.152 0.000 1.035 391 R CB -0.406 29.762 30.300 -0.219 0.000 0.857 391 R HN 0.491 nan 8.270 nan 0.000 0.475 392 L N -1.214 119.928 121.223 -0.136 0.000 2.766 392 L HA 0.101 4.441 4.340 -0.000 0.000 0.241 392 L C 1.229 178.004 176.870 -0.158 0.000 1.080 392 L CA 0.112 54.887 54.840 -0.108 0.000 0.909 392 L CB -0.230 41.801 42.059 -0.046 0.000 1.277 392 L HN -0.004 nan 8.230 nan 0.000 0.510 393 T N 0.000 114.407 114.554 -0.245 0.000 3.816 393 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 393 T CA 0.000 61.964 62.100 -0.227 0.000 1.349 393 T CB 0.000 68.712 68.868 -0.261 0.000 0.612 393 T HN 0.000 nan 8.240 nan 0.000 0.658