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 2clp_1_E DATA FIRST_RESID 38 DATA SEQUENCE RPATVLGAME MGRRMDAPTS AAVTRAFLER GHTEIDTAFV YSEGQSETIL DATA SEQUENCE GGLGLRLGGS DCRVKIDTKA IPLFGNSLKP DSLRFQLETS LKRLQCPRVD DATA SEQUENCE LFYLHMPDHS TPVEETLRAC HQLHQEGKFV ELGLSNYAAW EVAEICTLCK DATA SEQUENCE SNGWILPTVY QGMYNAITRQ VETELFPCLR HFGLRFYAFN PLAGGLLTGK DATA SEQUENCE YKYEDKDGKQ PVGRFFGNTW AEMYRNRYWK EHHFEGIALV EKALQAAYGA DATA SEQUENCE SAPSMTSATL RWMYHHSQLQ GAHGDAVILG MSSLEQLEQN LAAAEEGPLE DATA SEQUENCE PAVVDAFNQA WHLVAHECPN YFR 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 38 R HA 0.000 nan 4.340 nan 0.000 0.208 38 R C 0.000 176.324 176.300 0.039 0.000 0.893 38 R CA 0.000 56.102 56.100 0.004 0.000 0.921 38 R CB 0.000 30.289 30.300 -0.018 0.000 0.687 39 P HA 0.343 nan 4.420 nan 0.000 0.271 39 P C -0.479 176.909 177.300 0.148 0.000 1.220 39 P CA 0.091 63.234 63.100 0.071 0.000 0.768 39 P CB 1.197 32.892 31.700 -0.009 0.000 0.848 40 A N 3.447 126.323 122.820 0.093 0.000 2.409 40 A HA 0.417 4.737 4.320 -0.001 0.000 0.246 40 A C 0.251 177.897 177.584 0.102 0.000 1.099 40 A CA 0.279 52.376 52.037 0.100 0.000 0.789 40 A CB -0.273 18.751 19.000 0.039 0.000 1.053 40 A HN 0.552 nan 8.150 nan 0.000 0.503 41 T N 0.448 115.055 114.554 0.089 0.000 2.841 41 T HA 0.534 4.884 4.350 -0.001 0.000 0.285 41 T C -0.731 174.013 174.700 0.074 0.000 0.991 41 T CA -0.316 61.792 62.100 0.014 0.000 0.966 41 T CB 1.196 69.916 68.868 -0.246 0.000 0.962 41 T HN 0.519 nan 8.240 nan 0.000 0.438 42 V N 3.609 123.547 119.914 0.041 0.000 2.628 42 V HA 0.522 4.642 4.120 -0.001 0.000 0.306 42 V C -0.408 175.638 176.094 -0.080 0.000 1.045 42 V CA -1.079 61.252 62.300 0.051 0.000 0.905 42 V CB 1.970 33.722 31.823 -0.118 0.000 0.997 42 V HN 0.716 nan 8.190 nan 0.000 0.436 43 L N 3.846 124.827 121.223 -0.405 0.000 2.278 43 L HA 0.649 4.988 4.340 -0.001 0.000 0.287 43 L C 0.814 177.499 176.870 -0.309 0.000 1.072 43 L CA 0.345 54.776 54.840 -0.681 0.000 0.819 43 L CB 0.580 41.792 42.059 -1.412 0.000 1.176 43 L HN 0.790 nan 8.230 nan 0.000 0.435 44 G N 4.465 113.145 108.800 -0.199 0.000 2.396 44 G HA2 0.425 4.385 3.960 -0.001 0.000 0.292 44 G HA3 0.425 4.385 3.960 -0.001 0.000 0.292 44 G C 0.443 175.252 174.900 -0.151 0.000 1.106 44 G CA 0.074 45.096 45.100 -0.131 0.000 1.055 44 G HN 1.018 nan 8.290 nan 0.000 0.424 45 A N 3.519 126.269 122.820 -0.118 0.000 2.476 45 A HA 0.258 4.578 4.320 -0.001 0.000 0.263 45 A C 1.656 179.160 177.584 -0.134 0.000 1.342 45 A CA -0.015 51.965 52.037 -0.095 0.000 0.926 45 A CB -0.174 18.810 19.000 -0.027 0.000 1.019 45 A HN 0.736 nan 8.150 nan 0.000 0.515 46 M N -0.993 118.415 119.600 -0.319 0.000 2.200 46 M HA -0.063 4.416 4.480 -0.001 0.000 0.265 46 M C 1.534 177.634 176.300 -0.333 0.000 1.066 46 M CA 1.749 56.664 55.300 -0.641 0.000 1.127 46 M CB 0.130 32.195 32.600 -0.892 0.000 1.379 46 M HN 0.346 nan 8.290 nan 0.000 0.420 47 E N 0.141 120.212 120.200 -0.214 0.000 2.502 47 E HA 0.119 4.469 4.350 -0.001 0.000 0.194 47 E C -0.172 176.381 176.600 -0.078 0.000 1.062 47 E CA 0.145 56.467 56.400 -0.130 0.000 0.867 47 E CB -0.093 29.546 29.700 -0.102 0.000 0.888 47 E HN 0.470 nan 8.360 nan 0.000 0.510 48 M N -0.356 119.201 119.600 -0.072 0.000 2.227 48 M HA 0.179 4.658 4.480 -0.001 0.000 0.349 48 M C 1.076 177.364 176.300 -0.021 0.000 1.443 48 M CA 0.875 56.153 55.300 -0.036 0.000 1.110 48 M CB 0.729 33.312 32.600 -0.027 0.000 1.773 48 M HN 0.296 nan 8.290 nan 0.000 0.463 49 G N 1.036 109.827 108.800 -0.015 0.000 2.258 49 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.233 49 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.233 49 G C 0.833 175.727 174.900 -0.010 0.000 1.006 49 G CA 0.561 45.655 45.100 -0.009 0.000 0.620 49 G HN 0.576 nan 8.290 nan 0.000 0.511 50 R N 0.073 120.564 120.500 -0.016 0.000 1.950 50 R HA 0.428 4.768 4.340 -0.001 0.000 0.200 50 R C 2.364 178.659 176.300 -0.008 0.000 1.476 50 R CA 1.603 57.696 56.100 -0.011 0.000 1.145 50 R CB -0.913 29.375 30.300 -0.019 0.000 0.942 50 R HN 0.395 nan 8.270 nan 0.000 0.484 51 R N -0.639 119.852 120.500 -0.015 0.000 2.161 51 R HA 0.339 4.679 4.340 -0.001 0.000 0.213 51 R C 0.299 176.596 176.300 -0.004 0.000 1.055 51 R CA 0.909 57.006 56.100 -0.005 0.000 0.996 51 R CB 0.128 30.425 30.300 -0.005 0.000 0.901 51 R HN 0.329 nan 8.270 nan 0.000 0.456 52 M N 1.864 121.457 119.600 -0.011 0.000 2.205 52 M HA 0.156 4.636 4.480 -0.001 0.000 0.344 52 M C -0.762 175.535 176.300 -0.005 0.000 1.085 52 M CA -1.059 54.237 55.300 -0.007 0.000 1.001 52 M CB 1.688 34.281 32.600 -0.012 0.000 1.626 52 M HN 0.003 nan 8.290 nan 0.000 0.442 53 D N 2.621 123.021 120.400 -0.000 0.000 2.380 53 D HA 0.226 4.865 4.640 -0.001 0.000 0.254 53 D C 1.015 177.316 176.300 0.002 0.000 1.288 53 D CA -0.321 53.680 54.000 0.001 0.000 1.008 53 D CB 0.362 41.164 40.800 0.003 0.000 1.099 53 D HN 0.598 nan 8.370 nan 0.000 0.537 54 A N -0.101 122.721 122.820 0.003 0.000 1.865 54 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 54 A C -0.288 177.301 177.584 0.009 0.000 1.191 54 A CA 1.889 53.930 52.037 0.006 0.000 0.623 54 A CB -1.915 17.089 19.000 0.007 0.000 0.826 54 A HN 0.570 nan 8.150 nan 0.000 0.444 55 P HA -0.134 nan 4.420 nan 0.000 0.214 55 P C 1.516 178.825 177.300 0.014 0.000 1.163 55 P CA 2.096 65.203 63.100 0.012 0.000 0.889 55 P CB -0.380 31.326 31.700 0.011 0.000 0.790 56 T N -0.850 113.710 114.554 0.011 0.000 2.759 56 T HA -0.114 4.236 4.350 -0.001 0.000 0.269 56 T C 1.933 176.641 174.700 0.012 0.000 1.042 56 T CA 1.812 63.920 62.100 0.012 0.000 1.140 56 T CB -0.865 68.008 68.868 0.009 0.000 0.864 56 T HN 0.120 nan 8.240 nan 0.000 0.455 57 S N 1.415 117.119 115.700 0.007 0.000 2.368 57 S HA 0.047 4.517 4.470 -0.001 0.000 0.224 57 S C 2.621 177.230 174.600 0.014 0.000 1.029 57 S CA 0.816 59.018 58.200 0.003 0.000 0.988 57 S CB -0.531 62.668 63.200 -0.002 0.000 0.838 57 S HN 0.595 nan 8.310 nan 0.000 0.462 58 A N 1.843 124.675 122.820 0.019 0.000 1.902 58 A HA 0.094 4.413 4.320 -0.001 0.000 0.217 58 A C 2.378 179.985 177.584 0.038 0.000 1.181 58 A CA 1.714 53.768 52.037 0.029 0.000 0.623 58 A CB -1.158 17.858 19.000 0.026 0.000 0.818 58 A HN 0.510 nan 8.150 nan 0.000 0.443 59 A N -0.658 122.182 122.820 0.034 0.000 1.908 59 A HA -0.040 4.279 4.320 -0.001 0.000 0.218 59 A C 2.249 179.865 177.584 0.054 0.000 1.181 59 A CA 1.876 53.936 52.037 0.040 0.000 0.627 59 A CB -0.969 18.050 19.000 0.032 0.000 0.818 59 A HN 0.400 nan 8.150 nan 0.000 0.445 60 V N -0.163 119.779 119.914 0.048 0.000 2.358 60 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 60 V C 2.761 178.915 176.094 0.099 0.000 1.047 60 V CA 2.450 64.786 62.300 0.061 0.000 1.035 60 V CB -1.087 30.752 31.823 0.026 0.000 0.658 60 V HN 0.651 nan 8.190 nan 0.000 0.452 61 T N 0.029 114.630 114.554 0.078 0.000 2.746 61 T HA -0.190 4.159 4.350 -0.001 0.000 0.267 61 T C 2.340 177.147 174.700 0.178 0.000 1.039 61 T CA 1.997 64.171 62.100 0.123 0.000 1.142 61 T CB -0.450 68.464 68.868 0.077 0.000 0.866 61 T HN 0.635 nan 8.240 nan 0.000 0.444 62 R N 1.301 121.871 120.500 0.117 0.000 2.073 62 R HA 0.223 4.563 4.340 -0.001 0.000 0.234 62 R C 2.695 179.059 176.300 0.107 0.000 1.134 62 R CA 1.933 58.092 56.100 0.098 0.000 0.952 62 R CB -1.550 28.788 30.300 0.065 0.000 0.850 62 R HN 0.537 nan 8.270 nan 0.000 0.433 63 A N -0.016 122.875 122.820 0.118 0.000 1.877 63 A HA 0.008 4.327 4.320 -0.001 0.000 0.216 63 A C 2.261 179.942 177.584 0.161 0.000 1.186 63 A CA 1.563 53.669 52.037 0.116 0.000 0.620 63 A CB -0.643 18.423 19.000 0.111 0.000 0.822 63 A HN 0.696 nan 8.150 nan 0.000 0.443 64 F N 0.695 120.685 119.950 0.067 0.000 2.095 64 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 64 F C 1.884 177.762 175.800 0.131 0.000 1.104 64 F CA 1.942 60.006 58.000 0.106 0.000 1.232 64 F CB -0.272 38.773 39.000 0.076 0.000 0.987 64 F HN 0.140 nan 8.300 nan 0.000 0.475 65 L N 0.224 121.514 121.223 0.111 0.000 2.156 65 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 65 L C 2.717 179.542 176.870 -0.075 0.000 1.095 65 L CA 1.346 56.172 54.840 -0.022 0.000 0.770 65 L CB -1.545 40.575 42.059 0.102 0.000 0.914 65 L HN 0.304 nan 8.230 nan 0.000 0.439 66 E N 0.349 120.535 120.200 -0.023 0.000 2.515 66 E HA -0.120 4.229 4.350 -0.001 0.000 0.201 66 E C 1.898 178.450 176.600 -0.080 0.000 1.071 66 E CA 0.534 56.912 56.400 -0.037 0.000 0.880 66 E CB -0.431 29.268 29.700 -0.001 0.000 0.828 66 E HN 0.305 nan 8.360 nan 0.000 0.540 67 R N -1.125 119.296 120.500 -0.132 0.000 2.359 67 R HA 0.240 4.580 4.340 -0.001 0.000 0.231 67 R C 1.520 177.555 176.300 -0.441 0.000 0.913 67 R CA 0.472 56.442 56.100 -0.217 0.000 1.075 67 R CB 0.163 30.389 30.300 -0.124 0.000 1.087 67 R HN 0.593 nan 8.270 nan 0.000 0.515 68 G N 1.100 109.686 108.800 -0.356 0.000 2.179 68 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.260 68 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.260 68 G C 0.240 174.887 174.900 -0.423 0.000 0.977 68 G CA 0.135 45.029 45.100 -0.344 0.000 0.641 68 G HN 0.395 nan 8.290 nan 0.000 0.533 69 H N -0.552 118.282 119.070 -0.394 0.000 2.597 69 H HA 0.528 5.083 4.556 -0.001 0.000 0.370 69 H C 1.185 176.319 175.328 -0.322 0.000 1.281 69 H CA 0.952 56.705 56.048 -0.493 0.000 1.422 69 H CB 1.444 30.560 29.762 -1.077 0.000 1.524 69 H HN 0.177 nan 8.280 nan 0.000 0.607 70 T N -0.918 113.685 114.554 0.081 0.000 3.048 70 T HA 0.029 4.378 4.350 -0.001 0.000 0.254 70 T C 0.190 175.065 174.700 0.292 0.000 0.942 70 T CA -0.057 62.142 62.100 0.166 0.000 0.931 70 T CB 0.480 69.411 68.868 0.105 0.000 1.220 70 T HN 0.594 nan 8.240 nan 0.000 0.503 71 E N 0.763 121.180 120.200 0.362 0.000 2.195 71 E HA 0.625 4.974 4.350 -0.001 0.000 0.271 71 E C -1.341 175.383 176.600 0.208 0.000 0.923 71 E CA -0.686 55.871 56.400 0.261 0.000 0.790 71 E CB 1.323 31.144 29.700 0.201 0.000 1.155 71 E HN 0.380 nan 8.360 nan 0.000 0.402 72 I N 2.718 123.356 120.570 0.114 0.000 2.545 72 I HA 0.252 4.421 4.170 -0.001 0.000 0.292 72 I C -1.033 175.116 176.117 0.054 0.000 1.040 72 I CA -0.864 60.434 61.300 -0.003 0.000 1.068 72 I CB 2.107 40.098 38.000 -0.016 0.000 1.251 72 I HN 0.539 nan 8.210 nan 0.000 0.424 73 D N 3.972 124.386 120.400 0.024 0.000 2.381 73 D HA 0.479 5.118 4.640 -0.001 0.000 0.235 73 D C -0.554 175.805 176.300 0.099 0.000 1.068 73 D CA 0.035 54.085 54.000 0.083 0.000 0.832 73 D CB 1.460 42.301 40.800 0.067 0.000 1.101 73 D HN 0.512 nan 8.370 nan 0.000 0.515 74 T N 1.737 116.369 114.554 0.130 0.000 2.693 74 T HA 0.891 5.241 4.350 -0.001 0.000 0.278 74 T C -1.663 173.043 174.700 0.009 0.000 0.994 74 T CA -0.343 61.878 62.100 0.202 0.000 1.033 74 T CB 1.173 70.128 68.868 0.144 0.000 1.342 74 T HN 0.521 nan 8.240 nan 0.000 0.538 75 A N 0.048 122.764 122.820 -0.174 0.000 2.605 75 A HA 0.595 4.915 4.320 -0.001 0.000 0.294 75 A C -0.017 177.458 177.584 -0.182 0.000 1.062 75 A CA -0.563 51.220 52.037 -0.423 0.000 0.682 75 A CB 0.383 18.640 19.000 -1.238 0.000 1.278 75 A HN 0.862 nan 8.150 nan 0.000 0.410 76 F N 1.695 121.562 119.950 -0.137 0.000 2.192 76 F HA -0.127 4.400 4.527 -0.001 0.000 0.301 76 F C 1.578 177.353 175.800 -0.042 0.000 1.079 76 F CA 2.925 60.904 58.000 -0.034 0.000 1.303 76 F CB 0.237 39.255 39.000 0.030 0.000 1.024 76 F HN 0.319 nan 8.300 nan 0.000 0.494 77 V N -0.458 119.386 119.914 -0.116 0.000 3.354 77 V HA 0.002 4.122 4.120 -0.001 0.000 0.258 77 V C 0.319 176.382 176.094 -0.051 0.000 1.159 77 V CA 0.008 62.229 62.300 -0.131 0.000 1.125 77 V CB -0.594 31.276 31.823 0.079 0.000 0.774 77 V HN 0.166 nan 8.190 nan 0.000 0.464 78 Y N 1.568 121.833 120.300 -0.057 0.000 2.620 78 Y HA 0.097 4.646 4.550 -0.001 0.000 0.330 78 Y C 1.464 177.316 175.900 -0.081 0.000 1.186 78 Y CA 0.294 58.356 58.100 -0.063 0.000 1.467 78 Y CB 0.350 38.780 38.460 -0.050 0.000 1.262 78 Y HN 0.466 nan 8.280 nan 0.000 0.550 79 S N 0.895 116.656 115.700 0.102 0.000 3.378 79 S HA -0.311 4.159 4.470 -0.001 0.000 0.365 79 S C 0.385 174.971 174.600 -0.024 0.000 0.951 79 S CA 0.653 58.869 58.200 0.028 0.000 1.274 79 S CB -2.364 60.843 63.200 0.012 0.000 0.915 79 S HN 1.367 nan 8.310 nan 0.000 0.513 80 E N -0.802 119.361 120.200 -0.062 0.000 2.604 80 E HA 0.007 4.357 4.350 -0.001 0.000 0.255 80 E C 1.557 178.052 176.600 -0.175 0.000 1.164 80 E CA 1.774 58.092 56.400 -0.136 0.000 0.737 80 E CB -2.535 27.104 29.700 -0.102 0.000 1.317 80 E HN 2.807 nan 8.360 nan 0.000 0.417 81 G N -3.925 104.768 108.800 -0.179 0.000 2.175 81 G HA2 0.015 3.975 3.960 -0.001 0.000 0.244 81 G HA3 0.015 3.975 3.960 -0.001 0.000 0.244 81 G C 1.336 176.191 174.900 -0.077 0.000 0.982 81 G CA 1.497 46.489 45.100 -0.179 0.000 0.641 81 G HN 2.102 nan 8.290 nan 0.000 0.527 82 Q N 0.172 119.944 119.800 -0.047 0.000 2.230 82 Q HA 0.274 4.613 4.340 -0.001 0.000 0.202 82 Q C 2.726 178.725 176.000 -0.001 0.000 0.963 82 Q CA 2.406 58.197 55.803 -0.021 0.000 0.866 82 Q CB -0.630 28.097 28.738 -0.018 0.000 0.931 82 Q HN 1.406 nan 8.270 nan 0.000 0.452 83 S N 0.326 116.036 115.700 0.016 0.000 2.344 83 S HA -0.229 4.241 4.470 -0.001 0.000 0.217 83 S C 1.967 176.589 174.600 0.037 0.000 1.033 83 S CA 1.666 59.889 58.200 0.038 0.000 1.017 83 S CB -0.287 62.972 63.200 0.099 0.000 0.941 83 S HN 0.769 nan 8.310 nan 0.000 0.430 84 E N -0.212 120.011 120.200 0.039 0.000 2.130 84 E HA -0.124 4.225 4.350 -0.001 0.000 0.196 84 E C 2.148 178.766 176.600 0.031 0.000 0.998 84 E CA 1.724 58.148 56.400 0.041 0.000 0.806 84 E CB -0.355 29.371 29.700 0.043 0.000 0.738 84 E HN 0.598 nan 8.360 nan 0.000 0.459 85 T N 1.099 115.662 114.554 0.016 0.000 2.857 85 T HA -0.062 4.288 4.350 -0.001 0.000 0.266 85 T C 1.972 176.682 174.700 0.015 0.000 1.048 85 T CA 0.593 62.701 62.100 0.014 0.000 1.139 85 T CB -0.080 68.790 68.868 0.003 0.000 0.874 85 T HN 0.103 nan 8.240 nan 0.000 0.455 86 I N 0.907 121.486 120.570 0.014 0.000 2.113 86 I HA -0.155 4.015 4.170 -0.001 0.000 0.238 86 I C 2.306 178.435 176.117 0.020 0.000 1.070 86 I CA 1.362 62.670 61.300 0.014 0.000 1.332 86 I CB -0.394 37.611 38.000 0.010 0.000 1.044 86 I HN 0.186 nan 8.210 nan 0.000 0.402 87 L N 0.367 121.604 121.223 0.024 0.000 2.042 87 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 87 L C 2.622 179.513 176.870 0.034 0.000 1.076 87 L CA 1.616 56.474 54.840 0.030 0.000 0.749 87 L CB -1.236 40.844 42.059 0.035 0.000 0.893 87 L HN 0.358 nan 8.230 nan 0.000 0.432 88 G N -0.561 108.259 108.800 0.033 0.000 2.470 88 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.220 88 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.220 88 G C 1.326 176.242 174.900 0.028 0.000 1.121 88 G CA 0.682 45.801 45.100 0.033 0.000 0.766 88 G HN 0.509 nan 8.290 nan 0.000 0.553 89 G N -0.112 108.702 108.800 0.024 0.000 3.434 89 G HA2 0.333 4.292 3.960 -0.001 0.000 0.258 89 G HA3 0.333 4.292 3.960 -0.001 0.000 0.258 89 G C 1.032 175.945 174.900 0.023 0.000 1.128 89 G CA -0.369 44.744 45.100 0.021 0.000 0.792 89 G HN 0.376 nan 8.290 nan 0.000 0.539 90 L N 0.445 121.684 121.223 0.027 0.000 2.611 90 L HA 0.243 4.582 4.340 -0.001 0.000 0.229 90 L C 1.790 178.678 176.870 0.031 0.000 1.137 90 L CA 0.197 55.054 54.840 0.030 0.000 0.901 90 L CB 0.126 42.206 42.059 0.035 0.000 1.098 90 L HN 0.271 nan 8.230 nan 0.000 0.456 91 G N 0.995 109.811 108.800 0.028 0.000 2.341 91 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.292 91 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.292 91 G C 0.638 175.556 174.900 0.031 0.000 1.021 91 G CA 0.239 45.355 45.100 0.027 0.000 0.905 91 G HN 0.414 nan 8.290 nan 0.000 0.508 92 L N -0.922 120.322 121.223 0.036 0.000 2.591 92 L HA 0.286 4.625 4.340 -0.001 0.000 0.228 92 L C 2.233 179.126 176.870 0.039 0.000 1.133 92 L CA 0.442 55.307 54.840 0.042 0.000 0.880 92 L CB -0.398 41.693 42.059 0.054 0.000 1.033 92 L HN 0.785 nan 8.230 nan 0.000 0.450 93 R N 0.621 121.140 120.500 0.032 0.000 3.322 93 R HA -0.200 4.140 4.340 -0.001 0.000 0.253 93 R C 0.136 176.455 176.300 0.032 0.000 0.987 93 R CA 1.088 57.205 56.100 0.028 0.000 0.666 93 R CB -3.386 26.928 30.300 0.024 0.000 1.072 93 R HN 0.377 nan 8.270 nan 0.000 0.447 94 L N -0.409 120.837 121.223 0.037 0.000 2.499 94 L HA 0.365 4.704 4.340 -0.001 0.000 0.281 94 L C 2.190 179.083 176.870 0.038 0.000 1.234 94 L CA 1.443 56.309 54.840 0.044 0.000 0.839 94 L CB 0.544 42.634 42.059 0.050 0.000 1.104 94 L HN 1.017 nan 8.230 nan 0.000 0.500 95 G N 1.412 110.237 108.800 0.043 0.000 2.228 95 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.270 95 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.270 95 G C 0.622 175.536 174.900 0.023 0.000 0.976 95 G CA 0.184 45.305 45.100 0.035 0.000 0.636 95 G HN 1.063 nan 8.290 nan 0.000 0.542 96 G N -0.620 108.193 108.800 0.022 0.000 2.651 96 G HA2 0.499 4.459 3.960 -0.001 0.000 0.260 96 G HA3 0.499 4.459 3.960 -0.001 0.000 0.260 96 G C 1.107 176.016 174.900 0.016 0.000 1.216 96 G CA 0.873 45.981 45.100 0.015 0.000 0.913 96 G HN 0.578 nan 8.290 nan 0.000 0.535 97 S N -0.470 115.236 115.700 0.010 0.000 2.388 97 S HA 0.050 4.520 4.470 -0.001 0.000 0.223 97 S C 1.694 176.302 174.600 0.014 0.000 1.034 97 S CA 0.999 59.206 58.200 0.011 0.000 0.963 97 S CB -0.264 62.938 63.200 0.004 0.000 0.827 97 S HN 0.897 nan 8.310 nan 0.000 0.481 98 D N 0.812 121.220 120.400 0.013 0.000 2.597 98 D HA 0.422 5.062 4.640 -0.001 0.000 0.228 98 D C -0.357 175.955 176.300 0.020 0.000 1.120 98 D CA 0.012 54.020 54.000 0.014 0.000 1.083 98 D CB -0.768 40.039 40.800 0.011 0.000 1.116 98 D HN 0.406 nan 8.370 nan 0.000 0.487 99 C N 0.406 119.721 119.300 0.025 0.000 2.832 99 C HA 0.734 5.193 4.460 -0.001 0.000 0.383 99 C C 1.431 176.444 174.990 0.039 0.000 1.046 99 C CA 0.292 59.330 59.018 0.033 0.000 1.242 99 C CB 0.587 28.349 27.740 0.036 0.000 1.693 99 C HN 0.731 nan 8.230 nan 0.000 0.497 100 R N 2.871 123.396 120.500 0.041 0.000 2.127 100 R HA 0.351 4.690 4.340 -0.001 0.000 0.217 100 R C 0.633 176.971 176.300 0.063 0.000 1.074 100 R CA 1.698 57.824 56.100 0.044 0.000 0.991 100 R CB -0.701 29.620 30.300 0.035 0.000 0.895 100 R HN 0.794 nan 8.270 nan 0.000 0.450 101 V N 2.208 122.167 119.914 0.075 0.000 2.583 101 V HA 0.233 4.353 4.120 -0.001 0.000 0.287 101 V C -0.100 176.056 176.094 0.103 0.000 1.051 101 V CA -0.652 61.710 62.300 0.103 0.000 1.010 101 V CB 1.552 33.442 31.823 0.111 0.000 0.988 101 V HN 0.382 nan 8.190 nan 0.000 0.478 102 K N 4.317 124.791 120.400 0.124 0.000 2.159 102 K HA 0.623 4.942 4.320 -0.001 0.000 0.266 102 K C -0.603 176.075 176.600 0.131 0.000 0.975 102 K CA -0.589 55.771 56.287 0.122 0.000 0.865 102 K CB 2.013 34.593 32.500 0.133 0.000 1.087 102 K HN 0.565 nan 8.250 nan 0.000 0.446 103 I N 1.837 122.478 120.570 0.118 0.000 2.474 103 I HA 0.447 4.616 4.170 -0.001 0.000 0.294 103 I C -1.290 174.906 176.117 0.132 0.000 1.005 103 I CA -0.788 60.582 61.300 0.117 0.000 1.113 103 I CB 1.845 39.903 38.000 0.098 0.000 1.289 103 I HN 0.611 nan 8.210 nan 0.000 0.436 104 D N 4.712 125.203 120.400 0.152 0.000 2.505 104 D HA 0.593 5.232 4.640 -0.001 0.000 0.249 104 D C -0.541 175.869 176.300 0.183 0.000 1.082 104 D CA -0.178 53.936 54.000 0.190 0.000 0.839 104 D CB 2.053 43.036 40.800 0.304 0.000 1.317 104 D HN 0.503 nan 8.370 nan 0.000 0.497 105 T N 0.396 115.070 114.554 0.199 0.000 2.838 105 T HA 0.708 5.058 4.350 -0.001 0.000 0.292 105 T C -1.504 173.289 174.700 0.155 0.000 1.113 105 T CA -0.685 61.514 62.100 0.165 0.000 1.008 105 T CB 1.238 70.216 68.868 0.183 0.000 1.259 105 T HN 0.294 nan 8.240 nan 0.000 0.520 106 K N 0.346 120.772 120.400 0.042 0.000 2.512 106 K HA 0.798 5.117 4.320 -0.001 0.000 0.263 106 K C -1.532 175.070 176.600 0.003 0.000 0.966 106 K CA -1.189 55.024 56.287 -0.124 0.000 0.851 106 K CB 2.250 34.537 32.500 -0.356 0.000 1.395 106 K HN 0.627 nan 8.250 nan 0.000 0.440 107 A N 2.267 125.011 122.820 -0.128 0.000 2.343 107 A HA 0.724 5.044 4.320 -0.001 0.000 0.316 107 A C -0.350 177.223 177.584 -0.019 0.000 1.104 107 A CA -0.888 51.124 52.037 -0.041 0.000 0.768 107 A CB 0.380 19.366 19.000 -0.023 0.000 1.213 107 A HN 0.771 nan 8.150 nan 0.000 0.456 108 I N 0.201 120.778 120.570 0.012 0.000 2.750 108 I HA 0.728 4.897 4.170 -0.001 0.000 0.308 108 I C -2.400 173.678 176.117 -0.066 0.000 1.016 108 I CA -2.785 58.490 61.300 -0.042 0.000 1.098 108 I CB 2.761 40.693 38.000 -0.113 0.000 1.279 108 I HN 0.327 nan 8.210 nan 0.000 0.454 109 P HA 0.367 nan 4.420 nan 0.000 0.257 109 P C -0.466 176.716 177.300 -0.198 0.000 1.737 109 P CA -0.006 63.018 63.100 -0.127 0.000 1.130 109 P CB 0.342 31.959 31.700 -0.137 0.000 1.572 110 L N -0.467 120.572 121.223 -0.305 0.000 2.365 110 L HA 0.462 4.801 4.340 -0.001 0.000 0.267 110 L C 0.911 177.461 176.870 -0.533 0.000 1.033 110 L CA -0.791 53.644 54.840 -0.675 0.000 0.802 110 L CB 0.130 41.380 42.059 -1.348 0.000 1.267 110 L HN 0.020 nan 8.230 nan 0.000 0.457 111 F N -0.638 119.328 119.950 0.027 0.000 2.183 111 F HA -0.301 4.225 4.527 -0.001 0.000 0.318 111 F C 1.636 177.446 175.800 0.017 0.000 0.130 111 F CA 0.729 58.748 58.000 0.031 0.000 0.912 111 F CB -1.630 37.404 39.000 0.056 0.000 4.135 111 F HN 0.611 nan 8.300 nan 0.000 0.137 112 G N 0.734 109.672 108.800 0.229 0.000 2.501 112 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.220 112 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.220 112 G C 0.338 175.276 174.900 0.064 0.000 1.114 112 G CA 0.973 46.134 45.100 0.102 0.000 0.757 112 G HN 0.495 nan 8.290 nan 0.000 0.559 113 N N 0.383 119.138 118.700 0.091 0.000 2.515 113 N HA 0.375 5.114 4.740 -0.001 0.000 0.279 113 N C 0.009 175.517 175.510 -0.004 0.000 1.164 113 N CA 0.192 53.268 53.050 0.043 0.000 0.982 113 N CB 1.667 40.199 38.487 0.075 0.000 1.170 113 N HN 0.304 nan 8.380 nan 0.000 0.474 114 S N -0.275 115.418 115.700 -0.010 0.000 2.745 114 S HA 0.510 4.980 4.470 -0.001 0.000 0.306 114 S C 0.291 174.876 174.600 -0.024 0.000 1.137 114 S CA -0.835 57.352 58.200 -0.022 0.000 0.900 114 S CB 0.959 64.155 63.200 -0.006 0.000 1.176 114 S HN 0.429 nan 8.310 nan 0.000 0.520 115 L N 0.245 121.452 121.223 -0.026 0.000 2.818 115 L HA 0.333 4.672 4.340 -0.001 0.000 0.243 115 L C 0.409 177.276 176.870 -0.004 0.000 1.185 115 L CA -0.205 54.625 54.840 -0.017 0.000 0.988 115 L CB -0.297 41.746 42.059 -0.025 0.000 1.292 115 L HN 0.545 nan 8.230 nan 0.000 0.519 116 K N 0.849 121.251 120.400 0.004 0.000 2.276 116 K HA 0.071 4.390 4.320 -0.001 0.000 0.259 116 K C -1.403 175.205 176.600 0.013 0.000 1.001 116 K CA -1.430 54.863 56.287 0.009 0.000 0.927 116 K CB 0.563 33.074 32.500 0.018 0.000 0.969 116 K HN -0.235 nan 8.250 nan 0.000 0.490 117 P HA -0.221 nan 4.420 nan 0.000 0.216 117 P C 0.323 177.620 177.300 -0.005 0.000 1.157 117 P CA 1.466 64.558 63.100 -0.012 0.000 0.880 117 P CB 0.206 31.890 31.700 -0.026 0.000 0.791 118 D N -1.384 119.030 120.400 0.023 0.000 2.084 118 D HA -0.129 4.510 4.640 -0.001 0.000 0.194 118 D C 2.185 178.587 176.300 0.169 0.000 0.990 118 D CA 1.438 55.469 54.000 0.052 0.000 0.826 118 D CB -1.061 39.814 40.800 0.125 0.000 0.971 118 D HN 0.042 nan 8.370 nan 0.000 0.453 119 S N -0.402 115.412 115.700 0.190 0.000 2.368 119 S HA -0.100 4.369 4.470 -0.001 0.000 0.225 119 S C 2.054 176.712 174.600 0.098 0.000 1.030 119 S CA 0.583 58.899 58.200 0.193 0.000 0.999 119 S CB -0.428 62.815 63.200 0.072 0.000 0.844 119 S HN 0.227 nan 8.310 nan 0.000 0.459 120 L N 1.100 122.352 121.223 0.049 0.000 2.013 120 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 120 L C 2.849 179.730 176.870 0.019 0.000 1.073 120 L CA 1.942 56.810 54.840 0.047 0.000 0.753 120 L CB -0.370 41.724 42.059 0.058 0.000 0.890 120 L HN 0.371 nan 8.230 nan 0.000 0.432 121 R N -0.742 119.735 120.500 -0.040 0.000 2.070 121 R HA -0.215 4.125 4.340 -0.001 0.000 0.233 121 R C 2.350 178.577 176.300 -0.122 0.000 1.137 121 R CA 1.978 57.999 56.100 -0.132 0.000 0.945 121 R CB -0.550 29.609 30.300 -0.235 0.000 0.845 121 R HN 0.223 nan 8.270 nan 0.000 0.430 122 F N 1.275 121.180 119.950 -0.075 0.000 2.115 122 F HA -0.313 4.213 4.527 -0.001 0.000 0.300 122 F C 2.707 178.430 175.800 -0.129 0.000 1.092 122 F CA 1.856 59.812 58.000 -0.073 0.000 1.245 122 F CB -0.145 38.817 39.000 -0.063 0.000 0.995 122 F HN 0.235 nan 8.300 nan 0.000 0.481 123 Q N -0.655 119.099 119.800 -0.077 0.000 2.083 123 Q HA -0.183 4.156 4.340 -0.001 0.000 0.198 123 Q C 2.190 178.122 176.000 -0.114 0.000 0.969 123 Q CA 1.252 56.780 55.803 -0.458 0.000 0.838 123 Q CB -0.405 27.926 28.738 -0.678 0.000 0.900 123 Q HN 0.361 nan 8.270 nan 0.000 0.436 124 L N 1.387 122.579 121.223 -0.051 0.000 2.027 124 L HA -0.139 4.201 4.340 -0.001 0.000 0.206 124 L C 1.895 178.743 176.870 -0.036 0.000 1.074 124 L CA 1.831 56.621 54.840 -0.084 0.000 0.745 124 L CB -0.429 41.413 42.059 -0.361 0.000 0.898 124 L HN 0.132 nan 8.230 nan 0.000 0.433 125 E N -1.150 119.025 120.200 -0.042 0.000 2.160 125 E HA -0.215 4.135 4.350 -0.001 0.000 0.195 125 E C 1.896 178.531 176.600 0.058 0.000 0.991 125 E CA 1.742 58.133 56.400 -0.016 0.000 0.810 125 E CB -0.163 29.508 29.700 -0.049 0.000 0.742 125 E HN 0.557 nan 8.360 nan 0.000 0.466 126 T N 0.378 115.011 114.554 0.130 0.000 2.812 126 T HA -0.086 4.264 4.350 -0.001 0.000 0.264 126 T C 2.136 176.949 174.700 0.189 0.000 1.042 126 T CA 1.104 63.324 62.100 0.200 0.000 1.140 126 T CB -0.109 68.973 68.868 0.356 0.000 0.870 126 T HN 0.050 nan 8.240 nan 0.000 0.445 127 S N 1.554 117.388 115.700 0.222 0.000 2.374 127 S HA -0.041 4.429 4.470 -0.001 0.000 0.227 127 S C 2.015 176.677 174.600 0.104 0.000 1.037 127 S CA 0.994 59.305 58.200 0.184 0.000 1.024 127 S CB -0.526 62.794 63.200 0.201 0.000 0.861 127 S HN 0.357 nan 8.310 nan 0.000 0.456 128 L N 1.400 122.664 121.223 0.068 0.000 1.994 128 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 128 L C 3.067 179.962 176.870 0.041 0.000 1.071 128 L CA 1.776 56.639 54.840 0.040 0.000 0.745 128 L CB -0.944 41.120 42.059 0.008 0.000 0.892 128 L HN 0.387 nan 8.230 nan 0.000 0.431 129 K N 0.533 120.961 120.400 0.047 0.000 2.152 129 K HA -0.192 4.128 4.320 -0.001 0.000 0.206 129 K C 2.106 178.732 176.600 0.045 0.000 1.048 129 K CA 1.679 57.992 56.287 0.043 0.000 0.933 129 K CB -0.774 31.757 32.500 0.051 0.000 0.721 129 K HN 0.382 nan 8.250 nan 0.000 0.447 130 R N -0.502 120.031 120.500 0.056 0.000 2.062 130 R HA 0.174 4.514 4.340 -0.001 0.000 0.229 130 R C 2.409 178.734 176.300 0.041 0.000 1.128 130 R CA 1.249 57.377 56.100 0.046 0.000 0.960 130 R CB -0.356 29.974 30.300 0.049 0.000 0.855 130 R HN 0.354 nan 8.270 nan 0.000 0.432 131 L N 1.288 122.540 121.223 0.049 0.000 2.551 131 L HA -0.048 4.291 4.340 -0.001 0.000 0.228 131 L C 1.154 178.047 176.870 0.038 0.000 1.153 131 L CA 0.821 55.689 54.840 0.047 0.000 0.851 131 L CB -0.668 41.425 42.059 0.057 0.000 0.959 131 L HN 0.385 nan 8.230 nan 0.000 0.451 132 Q N -0.469 119.351 119.800 0.033 0.000 2.463 132 Q HA -0.236 4.103 4.340 -0.001 0.000 0.299 132 Q C -0.086 175.928 176.000 0.024 0.000 1.353 132 Q CA 0.980 56.798 55.803 0.026 0.000 0.828 132 Q CB -3.054 25.698 28.738 0.024 0.000 1.157 132 Q HN 0.730 nan 8.270 nan 0.000 0.436 133 C N -3.089 116.226 119.300 0.023 0.000 3.090 133 C HA 0.947 5.407 4.460 -0.001 0.000 0.305 133 C C -1.188 173.808 174.990 0.010 0.000 1.292 133 C CA -0.782 58.248 59.018 0.020 0.000 1.482 133 C CB 2.315 30.073 27.740 0.030 0.000 1.897 133 C HN 0.391 nan 8.230 nan 0.000 0.469 134 P HA 0.101 nan 4.420 nan 0.000 0.230 134 P C -0.034 177.254 177.300 -0.020 0.000 1.168 134 P CA 0.950 64.041 63.100 -0.015 0.000 0.793 134 P CB 0.235 31.923 31.700 -0.020 0.000 0.851 135 R N -0.740 119.759 120.500 -0.002 0.000 2.663 135 R HA 0.529 4.868 4.340 -0.001 0.000 0.267 135 R C -1.180 175.148 176.300 0.046 0.000 1.038 135 R CA -0.954 55.151 56.100 0.010 0.000 0.886 135 R CB 1.379 31.674 30.300 -0.009 0.000 1.249 135 R HN -0.181 nan 8.270 nan 0.000 0.463 136 V N -0.714 119.248 119.914 0.080 0.000 2.834 136 V HA 0.396 4.516 4.120 -0.001 0.000 0.313 136 V C 0.172 176.351 176.094 0.142 0.000 1.060 136 V CA -0.510 61.855 62.300 0.109 0.000 0.989 136 V CB 1.861 33.757 31.823 0.121 0.000 1.041 136 V HN 0.914 nan 8.190 nan 0.000 0.459 137 D N 0.745 121.219 120.400 0.125 0.000 2.249 137 D HA 0.149 4.788 4.640 -0.001 0.000 0.205 137 D C 0.003 176.374 176.300 0.118 0.000 0.962 137 D CA 1.139 55.212 54.000 0.121 0.000 0.860 137 D CB 0.882 41.746 40.800 0.107 0.000 0.955 137 D HN 0.396 nan 8.370 nan 0.000 0.505 138 L N 0.084 121.359 121.223 0.087 0.000 2.464 138 L HA 0.411 4.750 4.340 -0.001 0.000 0.266 138 L C -2.011 174.819 176.870 -0.067 0.000 0.965 138 L CA -0.887 53.924 54.840 -0.049 0.000 0.833 138 L CB 2.310 44.274 42.059 -0.157 0.000 1.296 138 L HN -0.258 nan 8.230 nan 0.000 0.405 139 F N 5.051 124.724 119.950 -0.461 0.000 2.500 139 F HA 0.572 5.098 4.527 -0.001 0.000 0.349 139 F C -1.492 173.981 175.800 -0.544 0.000 1.127 139 F CA -0.644 57.044 58.000 -0.519 0.000 0.998 139 F CB 0.796 39.250 39.000 -0.910 0.000 1.237 139 F HN 0.417 nan 8.300 nan 0.000 0.439 140 Y N 5.122 124.987 120.300 -0.725 0.000 2.320 140 Y HA 0.467 5.016 4.550 -0.001 0.000 0.324 140 Y C 0.064 175.452 175.900 -0.853 0.000 1.190 140 Y CA -0.792 56.902 58.100 -0.677 0.000 1.215 140 Y CB 1.131 39.300 38.460 -0.485 0.000 1.221 140 Y HN 0.341 nan 8.280 nan 0.000 0.486 141 L N 3.460 124.445 121.223 -0.397 0.000 2.295 141 L HA 0.152 4.491 4.340 -0.001 0.000 0.288 141 L C 1.189 178.044 176.870 -0.025 0.000 1.079 141 L CA -0.046 54.661 54.840 -0.222 0.000 0.830 141 L CB 0.234 42.223 42.059 -0.116 0.000 1.200 141 L HN 0.878 nan 8.230 nan 0.000 0.438 142 H N 3.744 122.716 119.070 -0.163 0.000 2.352 142 H HA 0.009 4.564 4.556 -0.001 0.000 0.299 142 H C 0.293 175.532 175.328 -0.149 0.000 1.097 142 H CA 1.365 57.300 56.048 -0.189 0.000 1.311 142 H CB 0.373 30.013 29.762 -0.203 0.000 1.377 142 H HN 0.494 nan 8.280 nan 0.000 0.504 143 M N -1.217 118.395 119.600 0.019 0.000 2.578 143 M HA 0.292 4.771 4.480 -0.001 0.000 0.276 143 M C -2.621 173.417 176.300 -0.437 0.000 1.245 143 M CA -2.078 53.099 55.300 -0.206 0.000 0.871 143 M CB 2.861 35.320 32.600 -0.234 0.000 1.722 143 M HN -0.195 nan 8.290 nan 0.000 0.473 144 P HA 0.037 nan 4.420 nan 0.000 0.265 144 P C -1.177 175.741 177.300 -0.637 0.000 1.193 144 P CA 0.186 62.672 63.100 -1.023 0.000 0.765 144 P CB 0.336 31.292 31.700 -1.239 0.000 0.823 145 D N 1.844 122.003 120.400 -0.402 0.000 2.499 145 D HA 0.045 4.685 4.640 -0.001 0.000 0.225 145 D C 0.742 176.928 176.300 -0.190 0.000 1.124 145 D CA -0.271 53.581 54.000 -0.246 0.000 0.938 145 D CB -0.207 40.525 40.800 -0.113 0.000 1.014 145 D HN 0.332 nan 8.370 nan 0.000 0.517 146 H N 0.999 120.029 119.070 -0.067 0.000 2.560 146 H HA -0.063 4.493 4.556 -0.001 0.000 0.283 146 H C 1.557 176.880 175.328 -0.009 0.000 1.028 146 H CA 1.044 57.073 56.048 -0.032 0.000 1.221 146 H CB 0.145 29.890 29.762 -0.029 0.000 1.363 146 H HN 0.368 nan 8.280 nan 0.000 0.594 147 S N -0.755 114.988 115.700 0.071 0.000 2.556 147 S HA 0.078 4.548 4.470 -0.001 0.000 0.216 147 S C 0.659 175.280 174.600 0.034 0.000 0.970 147 S CA -0.398 57.831 58.200 0.049 0.000 0.912 147 S CB 0.387 63.603 63.200 0.027 0.000 0.790 147 S HN 0.034 nan 8.310 nan 0.000 0.504 148 T N 4.380 118.950 114.554 0.027 0.000 2.847 148 T HA 0.508 4.858 4.350 -0.001 0.000 0.291 148 T C -3.057 171.666 174.700 0.038 0.000 0.998 148 T CA -1.306 60.809 62.100 0.025 0.000 0.967 148 T CB 1.625 70.498 68.868 0.008 0.000 0.954 148 T HN 0.011 nan 8.240 nan 0.000 0.441 149 P HA 0.031 nan 4.420 nan 0.000 0.262 149 P C 1.106 178.443 177.300 0.061 0.000 1.182 149 P CA -0.120 63.018 63.100 0.064 0.000 0.761 149 P CB 0.624 32.362 31.700 0.064 0.000 0.795 150 V N 3.642 123.601 119.914 0.075 0.000 2.594 150 V HA -0.232 3.887 4.120 -0.001 0.000 0.253 150 V C 1.962 178.101 176.094 0.074 0.000 1.069 150 V CA 1.844 64.186 62.300 0.070 0.000 1.082 150 V CB -0.716 31.156 31.823 0.081 0.000 0.680 150 V HN 0.568 nan 8.190 nan 0.000 0.469 151 E N -0.260 120.007 120.200 0.113 0.000 2.049 151 E HA -0.305 4.045 4.350 -0.001 0.000 0.198 151 E C 2.160 178.790 176.600 0.049 0.000 1.007 151 E CA 2.068 58.573 56.400 0.174 0.000 0.809 151 E CB -0.152 29.666 29.700 0.197 0.000 0.749 151 E HN 0.733 nan 8.360 nan 0.000 0.450 152 E N -0.308 119.908 120.200 0.026 0.000 2.058 152 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 152 E C 2.177 178.727 176.600 -0.084 0.000 0.997 152 E CA 1.716 58.101 56.400 -0.026 0.000 0.801 152 E CB -0.098 29.603 29.700 0.002 0.000 0.746 152 E HN 0.219 nan 8.360 nan 0.000 0.450 153 T N 1.576 116.098 114.554 -0.053 0.000 2.674 153 T HA -0.147 4.202 4.350 -0.001 0.000 0.265 153 T C 2.009 176.636 174.700 -0.121 0.000 1.039 153 T CA 0.969 63.034 62.100 -0.060 0.000 1.150 153 T CB -0.268 68.585 68.868 -0.025 0.000 0.864 153 T HN 0.076 nan 8.240 nan 0.000 0.427 154 L N 0.433 121.561 121.223 -0.158 0.000 2.046 154 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 154 L C 2.880 179.388 176.870 -0.605 0.000 1.077 154 L CA 1.331 56.034 54.840 -0.228 0.000 0.747 154 L CB -0.526 41.515 42.059 -0.030 0.000 0.896 154 L HN 0.159 nan 8.230 nan 0.000 0.432 155 R N 0.403 120.288 120.500 -1.026 0.000 2.103 155 R HA -0.233 4.107 4.340 -0.001 0.000 0.242 155 R C 2.292 178.301 176.300 -0.484 0.000 1.142 155 R CA 1.712 57.110 56.100 -1.170 0.000 0.960 155 R CB -0.278 29.581 30.300 -0.735 0.000 0.858 155 R HN 0.370 nan 8.270 nan 0.000 0.439 156 A N 0.114 122.769 122.820 -0.275 0.000 1.930 156 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 156 A C 2.470 180.031 177.584 -0.038 0.000 1.175 156 A CA 1.493 53.457 52.037 -0.122 0.000 0.627 156 A CB -0.811 18.145 19.000 -0.072 0.000 0.815 156 A HN 0.599 nan 8.150 nan 0.000 0.443 157 C N -1.773 117.524 119.300 -0.005 0.000 2.429 157 C HA -0.082 4.377 4.460 -0.001 0.000 0.277 157 C C 2.607 177.743 174.990 0.243 0.000 1.262 157 C CA 1.294 60.430 59.018 0.197 0.000 1.733 157 C CB -1.465 26.379 27.740 0.174 0.000 2.010 157 C HN 0.823 nan 8.230 nan 0.000 0.483 158 H N 0.670 119.701 119.070 -0.065 0.000 2.293 158 H HA -0.169 4.387 4.556 -0.000 0.000 0.300 158 H C 2.280 177.587 175.328 -0.036 0.000 1.082 158 H CA 2.261 58.275 56.048 -0.057 0.000 1.308 158 H CB -0.432 29.170 29.762 -0.267 0.000 1.375 158 H HN 0.482 nan 8.280 nan 0.000 0.495 159 Q N -0.341 119.399 119.800 -0.100 0.000 2.181 159 Q HA -0.129 4.210 4.340 -0.001 0.000 0.205 159 Q C 2.260 178.170 176.000 -0.151 0.000 0.980 159 Q CA 1.531 57.252 55.803 -0.137 0.000 0.862 159 Q CB -0.027 28.660 28.738 -0.087 0.000 0.905 159 Q HN 0.528 nan 8.270 nan 0.000 0.429 160 L N -1.145 120.028 121.223 -0.082 0.000 2.179 160 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 160 L C 2.329 179.042 176.870 -0.263 0.000 1.096 160 L CA 1.059 55.848 54.840 -0.085 0.000 0.779 160 L CB -0.353 41.748 42.059 0.071 0.000 0.922 160 L HN 0.340 nan 8.230 nan 0.000 0.443 161 H N -0.132 118.629 119.070 -0.515 0.000 2.357 161 H HA -0.133 4.422 4.556 -0.001 0.000 0.301 161 H C 2.271 177.280 175.328 -0.532 0.000 1.082 161 H CA 1.360 56.880 56.048 -0.880 0.000 1.342 161 H CB 0.203 29.482 29.762 -0.805 0.000 1.389 161 H HN 0.157 nan 8.280 nan 0.000 0.511 162 Q N 0.457 119.954 119.800 -0.505 0.000 2.181 162 Q HA -0.161 4.179 4.340 -0.001 0.000 0.205 162 Q C 1.559 177.350 176.000 -0.349 0.000 0.980 162 Q CA 1.641 57.182 55.803 -0.436 0.000 0.862 162 Q CB -0.048 28.485 28.738 -0.342 0.000 0.905 162 Q HN 0.742 nan 8.270 nan 0.000 0.429 163 E N -0.811 119.202 120.200 -0.313 0.000 2.489 163 E HA 0.141 4.490 4.350 -0.001 0.000 0.193 163 E C 0.643 177.090 176.600 -0.254 0.000 1.057 163 E CA 0.278 56.536 56.400 -0.237 0.000 0.866 163 E CB 0.281 29.872 29.700 -0.182 0.000 0.916 163 E HN 0.459 nan 8.360 nan 0.000 0.500 164 G N 2.167 110.747 108.800 -0.366 0.000 2.176 164 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.252 164 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.252 164 G C 0.851 175.608 174.900 -0.238 0.000 1.024 164 G CA 0.376 45.274 45.100 -0.337 0.000 0.755 164 G HN 0.134 nan 8.290 nan 0.000 0.507 165 K N -1.043 119.212 120.400 -0.241 0.000 2.366 165 K HA 0.224 4.544 4.320 -0.001 0.000 0.198 165 K C 0.850 177.457 176.600 0.012 0.000 1.044 165 K CA 1.325 57.544 56.287 -0.113 0.000 0.973 165 K CB 0.089 32.528 32.500 -0.102 0.000 0.767 165 K HN 0.941 nan 8.250 nan 0.000 0.475 166 F N -4.386 115.506 119.950 -0.097 0.000 2.686 166 F HA 0.308 4.835 4.527 -0.001 0.000 0.311 166 F C 0.543 176.403 175.800 0.099 0.000 1.128 166 F CA -1.216 56.773 58.000 -0.019 0.000 0.946 166 F CB 0.603 39.582 39.000 -0.036 0.000 1.336 166 F HN -0.380 nan 8.300 nan 0.000 0.457 167 V N -0.170 119.919 119.914 0.292 0.000 2.403 167 V HA 0.174 4.294 4.120 -0.001 0.000 0.239 167 V C 0.322 176.592 176.094 0.293 0.000 1.041 167 V CA 0.956 63.386 62.300 0.217 0.000 1.051 167 V CB -0.247 31.662 31.823 0.143 0.000 0.704 167 V HN 0.767 nan 8.190 nan 0.000 0.472 168 E N 0.061 120.457 120.200 0.327 0.000 2.212 168 E HA 0.485 4.834 4.350 -0.001 0.000 0.268 168 E C -1.472 175.207 176.600 0.131 0.000 0.902 168 E CA -0.741 55.765 56.400 0.177 0.000 0.779 168 E CB 2.516 32.229 29.700 0.022 0.000 1.172 168 E HN 0.119 nan 8.360 nan 0.000 0.409 169 L N 1.744 122.992 121.223 0.041 0.000 2.325 169 L HA 0.655 4.995 4.340 -0.001 0.000 0.279 169 L C -0.168 176.504 176.870 -0.330 0.000 1.054 169 L CA 0.175 54.911 54.840 -0.173 0.000 0.804 169 L CB 1.406 43.445 42.059 -0.034 0.000 1.200 169 L HN 0.573 nan 8.230 nan 0.000 0.436 170 G N 4.565 113.058 108.800 -0.512 0.000 2.605 170 G HA2 0.678 4.638 3.960 -0.001 0.000 0.296 170 G HA3 0.678 4.638 3.960 -0.001 0.000 0.296 170 G C -1.797 172.911 174.900 -0.320 0.000 1.304 170 G CA -0.710 44.054 45.100 -0.559 0.000 0.941 170 G HN 0.649 nan 8.290 nan 0.000 0.475 171 L N 0.189 121.301 121.223 -0.184 0.000 2.354 171 L HA 0.801 5.140 4.340 -0.001 0.000 0.264 171 L C -0.175 176.497 176.870 -0.329 0.000 1.008 171 L CA -0.988 53.702 54.840 -0.250 0.000 0.819 171 L CB 2.455 44.296 42.059 -0.363 0.000 1.339 171 L HN 0.577 nan 8.230 nan 0.000 0.420 172 S N 1.125 116.694 115.700 -0.219 0.000 2.546 172 S HA 0.407 4.877 4.470 -0.001 0.000 0.272 172 S C -0.289 174.308 174.600 -0.006 0.000 1.140 172 S CA -0.520 57.462 58.200 -0.363 0.000 0.920 172 S CB 0.930 63.908 63.200 -0.371 0.000 1.083 172 S HN 0.792 nan 8.310 nan 0.000 0.476 173 N N 1.090 119.853 118.700 0.104 0.000 2.741 173 N HA -0.177 4.563 4.740 -0.001 0.000 0.251 173 N C -1.017 174.643 175.510 0.250 0.000 1.112 173 N CA 1.092 54.316 53.050 0.291 0.000 0.750 173 N CB -1.769 36.795 38.487 0.128 0.000 1.119 173 N HN 0.676 nan 8.380 nan 0.000 0.561 174 Y N 0.691 121.139 120.300 0.247 0.000 2.301 174 Y HA 0.485 5.035 4.550 -0.001 0.000 0.325 174 Y C 1.240 177.268 175.900 0.214 0.000 1.203 174 Y CA -0.267 57.923 58.100 0.149 0.000 1.255 174 Y CB 0.864 39.368 38.460 0.074 0.000 1.232 174 Y HN 0.150 nan 8.280 nan 0.000 0.501 175 A N 1.769 124.543 122.820 -0.076 0.000 2.407 175 A HA 0.440 4.760 4.320 -0.001 0.000 0.248 175 A C 1.341 178.848 177.584 -0.129 0.000 1.082 175 A CA 0.119 51.923 52.037 -0.388 0.000 0.785 175 A CB -0.033 18.364 19.000 -1.006 0.000 1.020 175 A HN 1.047 nan 8.150 nan 0.000 0.489 176 A N 2.175 125.070 122.820 0.124 0.000 1.915 176 A HA -0.215 4.105 4.320 -0.001 0.000 0.220 176 A C 1.914 179.548 177.584 0.083 0.000 1.198 176 A CA 2.184 54.297 52.037 0.125 0.000 0.647 176 A CB -1.046 18.068 19.000 0.190 0.000 0.825 176 A HN 1.315 nan 8.150 nan 0.000 0.456 177 W N 0.008 121.321 121.300 0.022 0.000 2.402 177 W HA -0.068 4.591 4.660 -0.001 0.000 0.286 177 W C 1.266 177.797 176.519 0.020 0.000 1.221 177 W CA 1.046 58.397 57.345 0.010 0.000 1.257 177 W CB -0.895 28.557 29.460 -0.013 0.000 1.120 177 W HN 0.496 nan 8.180 nan 0.000 0.551 178 E N 1.155 120.975 120.200 -0.633 0.000 2.150 178 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 178 E C 2.400 178.898 176.600 -0.171 0.000 0.985 178 E CA 1.555 57.673 56.400 -0.469 0.000 0.814 178 E CB -0.176 29.226 29.700 -0.496 0.000 0.752 178 E HN 0.105 nan 8.360 nan 0.000 0.466 179 V N 1.504 121.341 119.914 -0.129 0.000 2.358 179 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 179 V C 2.389 178.295 176.094 -0.314 0.000 1.047 179 V CA 1.760 63.959 62.300 -0.167 0.000 1.035 179 V CB -0.761 31.021 31.823 -0.068 0.000 0.658 179 V HN 0.295 nan 8.190 nan 0.000 0.452 180 A N -0.156 122.513 122.820 -0.252 0.000 1.908 180 A HA -0.304 4.015 4.320 -0.001 0.000 0.218 180 A C 2.295 179.731 177.584 -0.247 0.000 1.181 180 A CA 2.180 53.993 52.037 -0.373 0.000 0.627 180 A CB -0.547 18.488 19.000 0.058 0.000 0.818 180 A HN 0.645 nan 8.150 nan 0.000 0.445 181 E N -0.220 119.940 120.200 -0.066 0.000 2.038 181 E HA -0.196 4.153 4.350 -0.001 0.000 0.195 181 E C 1.912 178.471 176.600 -0.068 0.000 1.000 181 E CA 1.476 57.874 56.400 -0.004 0.000 0.803 181 E CB -0.257 29.491 29.700 0.079 0.000 0.750 181 E HN 0.651 nan 8.360 nan 0.000 0.448 182 I N 0.607 121.104 120.570 -0.122 0.000 2.163 182 I HA -0.370 3.799 4.170 -0.001 0.000 0.243 182 I C 2.618 178.659 176.117 -0.126 0.000 1.085 182 I CA 1.032 62.265 61.300 -0.112 0.000 1.347 182 I CB -0.262 37.626 38.000 -0.187 0.000 1.044 182 I HN 0.376 nan 8.210 nan 0.000 0.408 183 C N 0.081 119.222 119.300 -0.266 0.000 2.440 183 C HA -0.134 4.326 4.460 -0.001 0.000 0.278 183 C C 2.976 177.905 174.990 -0.102 0.000 1.295 183 C CA 1.421 60.290 59.018 -0.248 0.000 1.738 183 C CB -1.197 26.195 27.740 -0.579 0.000 1.987 183 C HN 0.521 nan 8.230 nan 0.000 0.492 184 T N 1.443 115.940 114.554 -0.095 0.000 2.821 184 T HA -0.076 4.273 4.350 -0.001 0.000 0.267 184 T C 1.716 176.401 174.700 -0.025 0.000 1.046 184 T CA 1.063 63.180 62.100 0.028 0.000 1.139 184 T CB -0.256 68.657 68.868 0.075 0.000 0.871 184 T HN 0.464 nan 8.240 nan 0.000 0.454 185 L N 0.354 121.553 121.223 -0.040 0.000 2.093 185 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 185 L C 2.770 179.537 176.870 -0.171 0.000 1.085 185 L CA 0.872 55.668 54.840 -0.074 0.000 0.755 185 L CB -0.532 41.540 42.059 0.023 0.000 0.904 185 L HN 0.391 nan 8.230 nan 0.000 0.435 186 C N -0.473 118.791 119.300 -0.061 0.000 2.476 186 C HA -0.119 4.341 4.460 -0.001 0.000 0.278 186 C C 2.753 177.654 174.990 -0.149 0.000 1.274 186 C CA 0.341 59.327 59.018 -0.053 0.000 1.713 186 C CB -0.594 27.191 27.740 0.075 0.000 2.039 186 C HN 0.417 nan 8.230 nan 0.000 0.484 187 K N 1.547 121.899 120.400 -0.080 0.000 2.020 187 K HA -0.204 4.116 4.320 -0.001 0.000 0.212 187 K C 2.234 178.749 176.600 -0.142 0.000 1.050 187 K CA 2.231 58.476 56.287 -0.070 0.000 0.929 187 K CB -0.415 32.083 32.500 -0.004 0.000 0.714 187 K HN 0.646 nan 8.250 nan 0.000 0.443 188 S N 0.531 116.130 115.700 -0.169 0.000 2.461 188 S HA -0.017 4.453 4.470 -0.001 0.000 0.228 188 S C 1.334 175.738 174.600 -0.325 0.000 1.005 188 S CA 0.791 58.875 58.200 -0.193 0.000 0.942 188 S CB -0.012 63.102 63.200 -0.144 0.000 0.776 188 S HN 0.195 nan 8.310 nan 0.000 0.514 189 N N 1.187 119.549 118.700 -0.562 0.000 2.236 189 N HA 0.225 4.965 4.740 -0.001 0.000 0.196 189 N C 1.070 176.029 175.510 -0.917 0.000 1.114 189 N CA 0.672 53.157 53.050 -0.941 0.000 0.859 189 N CB 0.379 37.704 38.487 -1.938 0.000 0.982 189 N HN 0.625 nan 8.380 nan 0.000 0.493 190 G N 0.565 109.049 108.800 -0.526 0.000 2.249 190 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.273 190 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.273 190 G C -0.330 174.400 174.900 -0.283 0.000 1.036 190 G CA 0.010 44.931 45.100 -0.300 0.000 0.824 190 G HN 0.186 nan 8.290 nan 0.000 0.504 191 W N -0.884 120.237 121.300 -0.298 0.000 2.332 191 W HA 0.672 5.332 4.660 0.001 0.000 0.351 191 W C 0.989 177.450 176.519 -0.096 0.000 1.195 191 W CA -2.558 54.537 57.345 -0.417 0.000 1.334 191 W CB 0.222 29.518 29.460 -0.273 0.000 1.206 191 W HN 0.193 nan 8.180 nan 0.000 0.637 192 I N 2.422 123.193 120.570 0.335 0.000 2.683 192 I HA -0.071 4.098 4.170 -0.001 0.000 0.286 192 I C -0.296 175.879 176.117 0.098 0.000 1.175 192 I CA -0.121 61.258 61.300 0.132 0.000 1.429 192 I CB 0.233 38.199 38.000 -0.057 0.000 1.371 192 I HN 0.035 nan 8.210 nan 0.000 0.569 193 L N 10.105 131.351 121.223 0.039 0.000 2.395 193 L HA 0.436 4.775 4.340 -0.001 0.000 0.269 193 L C -1.964 174.894 176.870 -0.020 0.000 1.133 193 L CA -1.418 53.431 54.840 0.015 0.000 0.812 193 L CB 0.212 42.281 42.059 0.016 0.000 1.125 193 L HN 0.504 nan 8.230 nan 0.000 0.452 194 P HA 0.130 nan 4.420 nan 0.000 0.271 194 P C -0.084 177.170 177.300 -0.076 0.000 1.216 194 P CA -0.194 62.846 63.100 -0.100 0.000 0.776 194 P CB 0.733 32.344 31.700 -0.148 0.000 0.881 195 T N -1.787 112.707 114.554 -0.101 0.000 3.016 195 T HA 0.272 4.621 4.350 -0.001 0.000 0.271 195 T C 0.242 174.872 174.700 -0.116 0.000 0.968 195 T CA -0.110 61.944 62.100 -0.076 0.000 0.891 195 T CB -0.022 68.811 68.868 -0.058 0.000 1.149 195 T HN 0.178 nan 8.240 nan 0.000 0.524 196 V N 1.512 121.312 119.914 -0.190 0.000 2.686 196 V HA 0.548 4.668 4.120 -0.001 0.000 0.306 196 V C -1.693 174.321 176.094 -0.133 0.000 1.065 196 V CA -1.368 60.771 62.300 -0.269 0.000 0.894 196 V CB 2.030 33.531 31.823 -0.538 0.000 1.004 196 V HN 0.446 nan 8.190 nan 0.000 0.424 197 Y N 3.333 123.529 120.300 -0.174 0.000 2.352 197 Y HA 0.590 5.139 4.550 -0.001 0.000 0.339 197 Y C 0.032 175.807 175.900 -0.208 0.000 0.992 197 Y CA -0.291 57.761 58.100 -0.081 0.000 1.100 197 Y CB 1.813 40.275 38.460 0.003 0.000 1.192 197 Y HN 0.696 nan 8.280 nan 0.000 0.458 198 Q N 4.658 124.224 119.800 -0.390 0.000 2.347 198 Q HA 0.633 4.973 4.340 -0.001 0.000 0.262 198 Q C -1.067 174.859 176.000 -0.123 0.000 0.980 198 Q CA -0.652 54.979 55.803 -0.287 0.000 0.867 198 Q CB 1.209 29.701 28.738 -0.410 0.000 1.242 198 Q HN 0.956 nan 8.270 nan 0.000 0.453 199 G N 2.937 111.675 108.800 -0.103 0.000 2.619 199 G HA2 0.397 4.357 3.960 -0.001 0.000 0.296 199 G HA3 0.397 4.357 3.960 -0.001 0.000 0.296 199 G C -1.269 173.446 174.900 -0.308 0.000 1.334 199 G CA -0.915 44.353 45.100 0.281 0.000 0.934 199 G HN 0.673 nan 8.290 nan 0.000 0.476 200 M N 2.014 121.304 119.600 -0.516 0.000 2.292 200 M HA 0.414 4.894 4.480 -0.001 0.000 0.342 200 M C -1.695 174.625 176.300 0.033 0.000 1.538 200 M CA -0.234 54.624 55.300 -0.738 0.000 1.163 200 M CB 0.095 32.554 32.600 -0.235 0.000 1.823 200 M HN 0.503 nan 8.290 nan 0.000 0.462 201 Y N 5.912 126.155 120.300 -0.094 0.000 2.401 201 Y HA 0.484 5.034 4.550 -0.000 0.000 0.330 201 Y C -1.460 174.450 175.900 0.016 0.000 1.071 201 Y CA -1.339 56.784 58.100 0.038 0.000 1.049 201 Y CB 1.209 39.804 38.460 0.225 0.000 1.239 201 Y HN 0.888 nan 8.280 nan 0.000 0.437 202 N N 1.936 120.525 118.700 -0.184 0.000 3.020 202 N HA 0.541 5.281 4.740 -0.001 0.000 0.248 202 N C -0.068 175.017 175.510 -0.708 0.000 1.480 202 N CA -0.291 52.533 53.050 -0.377 0.000 0.874 202 N CB 0.582 38.943 38.487 -0.210 0.000 1.433 202 N HN 0.457 nan 8.380 nan 0.000 0.530 203 A N -0.294 121.919 122.820 -1.011 0.000 1.986 203 A HA -0.003 4.316 4.320 -0.001 0.000 0.220 203 A C 1.954 178.983 177.584 -0.924 0.000 1.171 203 A CA 2.933 53.917 52.037 -1.755 0.000 0.640 203 A CB -1.333 16.566 19.000 -1.835 0.000 0.811 203 A HN 1.270 nan 8.150 nan 0.000 0.451 204 I N -1.818 118.501 120.570 -0.418 0.000 3.941 204 I HA 0.419 4.589 4.170 -0.001 0.000 0.335 204 I C 0.678 176.890 176.117 0.159 0.000 1.402 204 I CA 0.947 62.216 61.300 -0.052 0.000 1.112 204 I CB -0.739 37.252 38.000 -0.015 0.000 1.043 204 I HN 0.129 nan 8.210 nan 0.000 0.395 205 T N 0.892 115.405 114.554 -0.069 0.000 3.089 205 T HA 0.483 4.832 4.350 -0.001 0.000 0.340 205 T C 0.301 174.896 174.700 -0.174 0.000 1.008 205 T CA -0.351 61.792 62.100 0.072 0.000 1.096 205 T CB 0.418 69.450 68.868 0.275 0.000 1.024 205 T HN 0.569 nan 8.240 nan 0.000 0.477 206 R N 1.304 121.413 120.500 -0.651 0.000 2.659 206 R HA 0.225 4.565 4.340 -0.001 0.000 0.418 206 R C 1.577 177.680 176.300 -0.328 0.000 1.076 206 R CA -0.293 55.436 56.100 -0.618 0.000 1.093 206 R CB 0.565 30.108 30.300 -1.262 0.000 1.400 206 R HN 0.490 nan 8.270 nan 0.000 0.583 207 Q N 1.330 121.128 119.800 -0.005 0.000 2.167 207 Q HA -0.115 4.224 4.340 -0.001 0.000 0.202 207 Q C 1.976 177.945 176.000 -0.053 0.000 0.970 207 Q CA 1.875 57.783 55.803 0.175 0.000 0.855 207 Q CB 0.238 29.210 28.738 0.391 0.000 0.911 207 Q HN 0.344 nan 8.270 nan 0.000 0.438 208 V N -1.498 118.221 119.914 -0.325 0.000 2.453 208 V HA -0.271 3.849 4.120 -0.001 0.000 0.252 208 V C 1.664 177.345 176.094 -0.688 0.000 1.068 208 V CA 2.117 64.009 62.300 -0.681 0.000 1.070 208 V CB -0.836 30.569 31.823 -0.697 0.000 0.664 208 V HN 0.308 nan 8.190 nan 0.000 0.461 209 E N 0.788 120.509 120.200 -0.799 0.000 2.097 209 E HA -0.189 4.160 4.350 -0.001 0.000 0.196 209 E C 2.330 178.743 176.600 -0.313 0.000 1.000 209 E CA 2.078 58.024 56.400 -0.757 0.000 0.804 209 E CB -0.458 28.919 29.700 -0.539 0.000 0.740 209 E HN 0.758 nan 8.360 nan 0.000 0.454 210 T N 0.527 114.994 114.554 -0.145 0.000 2.737 210 T HA -0.123 4.226 4.350 -0.001 0.000 0.265 210 T C 1.627 176.330 174.700 0.005 0.000 1.038 210 T CA 1.337 63.428 62.100 -0.016 0.000 1.144 210 T CB -0.053 68.859 68.868 0.072 0.000 0.866 210 T HN 0.205 nan 8.240 nan 0.000 0.434 211 E N -0.577 119.633 120.200 0.016 0.000 2.406 211 E HA 0.219 4.569 4.350 -0.001 0.000 0.204 211 E C 1.890 178.506 176.600 0.027 0.000 0.820 211 E CA -0.166 56.266 56.400 0.054 0.000 1.136 211 E CB -0.030 29.747 29.700 0.128 0.000 1.129 211 E HN 0.092 nan 8.360 nan 0.000 0.530 212 L N 0.916 122.102 121.223 -0.062 0.000 1.994 212 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 212 L C 1.935 178.789 176.870 -0.028 0.000 1.071 212 L CA 1.772 56.534 54.840 -0.130 0.000 0.745 212 L CB -0.469 41.318 42.059 -0.453 0.000 0.892 212 L HN 0.006 nan 8.230 nan 0.000 0.431 213 F N 0.118 119.878 119.950 -0.317 0.000 2.075 213 F HA -0.087 4.439 4.527 -0.001 0.000 0.297 213 F C -0.111 175.607 175.800 -0.137 0.000 1.113 213 F CA 1.387 59.226 58.000 -0.269 0.000 1.218 213 F CB -2.472 36.331 39.000 -0.328 0.000 0.984 213 F HN 0.149 nan 8.300 nan 0.000 0.472 214 P HA -0.241 nan 4.420 nan 0.000 0.217 214 P C 2.149 179.481 177.300 0.053 0.000 1.158 214 P CA 2.012 65.140 63.100 0.047 0.000 0.887 214 P CB -0.340 31.381 31.700 0.035 0.000 0.792 215 C N -1.198 118.145 119.300 0.073 0.000 2.432 215 C HA -0.116 4.343 4.460 -0.001 0.000 0.277 215 C C 2.659 177.779 174.990 0.217 0.000 1.249 215 C CA 0.743 59.861 59.018 0.167 0.000 1.725 215 C CB -1.835 25.998 27.740 0.155 0.000 2.028 215 C HN 0.082 nan 8.230 nan 0.000 0.477 216 L N 0.585 121.841 121.223 0.055 0.000 2.046 216 L HA -0.114 4.226 4.340 -0.001 0.000 0.208 216 L C 3.026 179.886 176.870 -0.017 0.000 1.077 216 L CA 1.400 56.244 54.840 0.006 0.000 0.747 216 L CB -0.720 41.243 42.059 -0.159 0.000 0.896 216 L HN 0.322 nan 8.230 nan 0.000 0.432 217 R N -0.988 119.466 120.500 -0.076 0.000 2.092 217 R HA -0.160 4.179 4.340 -0.001 0.000 0.231 217 R C 2.161 178.404 176.300 -0.094 0.000 1.119 217 R CA 1.129 57.140 56.100 -0.149 0.000 0.970 217 R CB -0.973 29.232 30.300 -0.159 0.000 0.864 217 R HN 0.533 nan 8.270 nan 0.000 0.440 218 H N -0.318 118.673 119.070 -0.131 0.000 2.357 218 H HA -0.058 4.497 4.556 -0.001 0.000 0.301 218 H C 0.969 176.087 175.328 -0.351 0.000 1.082 218 H CA 1.354 57.250 56.048 -0.254 0.000 1.342 218 H CB 0.082 29.646 29.762 -0.330 0.000 1.389 218 H HN 0.083 nan 8.280 nan 0.000 0.511 219 F N -0.236 119.708 119.950 -0.010 0.000 2.765 219 F HA 0.223 4.749 4.527 -0.001 0.000 0.302 219 F C 1.785 177.535 175.800 -0.083 0.000 1.111 219 F CA 0.731 58.701 58.000 -0.051 0.000 1.359 219 F CB 0.530 39.546 39.000 0.027 0.000 1.097 219 F HN 0.336 nan 8.300 nan 0.000 0.577 220 G N 1.021 109.833 108.800 0.020 0.000 2.160 220 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.244 220 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.244 220 G C -0.223 174.673 174.900 -0.007 0.000 1.022 220 G CA -0.403 44.678 45.100 -0.033 0.000 0.741 220 G HN 0.152 nan 8.290 nan 0.000 0.508 221 L N 0.575 121.805 121.223 0.012 0.000 2.375 221 L HA 0.643 4.983 4.340 -0.001 0.000 0.271 221 L C 1.286 178.146 176.870 -0.017 0.000 1.107 221 L CA -0.681 54.160 54.840 0.002 0.000 0.806 221 L CB 0.980 43.058 42.059 0.033 0.000 1.146 221 L HN 0.465 nan 8.230 nan 0.000 0.447 222 R N 1.744 122.241 120.500 -0.006 0.000 2.536 222 R HA 0.533 4.873 4.340 -0.001 0.000 0.279 222 R C -1.122 175.223 176.300 0.075 0.000 1.001 222 R CA -0.552 55.578 56.100 0.050 0.000 1.027 222 R CB 0.938 31.303 30.300 0.107 0.000 1.096 222 R HN 0.398 nan 8.270 nan 0.000 0.502 223 F N 2.592 122.541 119.950 -0.001 0.000 2.427 223 F HA 0.381 4.907 4.527 -0.001 0.000 0.346 223 F C -1.328 174.682 175.800 0.349 0.000 1.120 223 F CA -0.927 57.101 58.000 0.047 0.000 1.033 223 F CB 1.033 39.868 39.000 -0.274 0.000 1.126 223 F HN 0.395 nan 8.300 nan 0.000 0.462 224 Y N 4.833 124.912 120.300 -0.368 0.000 2.331 224 Y HA 0.601 5.151 4.550 -0.001 0.000 0.338 224 Y C 0.243 175.929 175.900 -0.357 0.000 0.976 224 Y CA -1.851 56.140 58.100 -0.182 0.000 1.137 224 Y CB 1.098 39.530 38.460 -0.047 0.000 1.172 224 Y HN 0.712 nan 8.280 nan 0.000 0.478 225 A N 5.557 128.466 122.820 0.149 0.000 2.328 225 A HA 0.644 4.964 4.320 -0.001 0.000 0.284 225 A C -0.653 177.044 177.584 0.189 0.000 1.160 225 A CA -0.316 51.877 52.037 0.260 0.000 0.818 225 A CB -0.342 18.930 19.000 0.453 0.000 1.087 225 A HN 0.612 nan 8.150 nan 0.000 0.504 226 F N 0.487 120.528 119.950 0.152 0.000 2.594 226 F HA 0.611 5.137 4.527 -0.001 0.000 0.335 226 F C 0.394 176.302 175.800 0.180 0.000 1.058 226 F CA -1.373 56.696 58.000 0.114 0.000 0.981 226 F CB 0.651 39.686 39.000 0.059 0.000 1.289 226 F HN 0.721 nan 8.300 nan 0.000 0.490 227 N N 0.285 119.254 118.700 0.448 0.000 2.735 227 N HA -0.143 4.596 4.740 -0.001 0.000 0.248 227 N C -2.130 173.452 175.510 0.120 0.000 1.083 227 N CA 0.436 53.678 53.050 0.320 0.000 0.703 227 N CB -0.837 37.915 38.487 0.442 0.000 1.005 227 N HN 0.577 nan 8.380 nan 0.000 0.550 228 P HA -0.131 nan 4.420 nan 0.000 0.222 228 P C 0.855 178.143 177.300 -0.021 0.000 1.147 228 P CA 1.112 64.221 63.100 0.016 0.000 0.790 228 P CB 0.209 31.927 31.700 0.030 0.000 0.780 229 L N -1.265 119.963 121.223 0.008 0.000 2.818 229 L HA 0.425 4.765 4.340 -0.001 0.000 0.243 229 L C 0.687 177.519 176.870 -0.065 0.000 1.185 229 L CA -0.345 54.489 54.840 -0.010 0.000 0.988 229 L CB -0.504 41.582 42.059 0.045 0.000 1.292 229 L HN -0.140 nan 8.230 nan 0.000 0.519 230 A N 0.516 123.232 122.820 -0.174 0.000 2.560 230 A HA -0.138 4.182 4.320 -0.001 0.000 0.299 230 A C 1.480 179.003 177.584 -0.102 0.000 1.484 230 A CA 0.802 52.495 52.037 -0.575 0.000 0.749 230 A CB -1.850 16.592 19.000 -0.930 0.000 1.072 230 A HN 1.038 nan 8.150 nan 0.000 0.426 231 G N -1.972 106.918 108.800 0.150 0.000 2.155 231 G HA2 0.206 4.165 3.960 -0.001 0.000 0.257 231 G HA3 0.206 4.165 3.960 -0.001 0.000 0.257 231 G C 1.176 176.271 174.900 0.324 0.000 0.983 231 G CA 0.992 46.203 45.100 0.185 0.000 0.676 231 G HN 3.009 nan 8.290 nan 0.000 0.528 232 G N -1.630 107.333 108.800 0.271 0.000 2.213 232 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.226 232 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.226 232 G C 1.146 176.253 174.900 0.345 0.000 0.992 232 G CA 0.911 46.200 45.100 0.316 0.000 0.632 232 G HN 1.424 nan 8.290 nan 0.000 0.511 233 L N 0.816 122.199 121.223 0.267 0.000 2.079 233 L HA 0.230 4.569 4.340 -0.001 0.000 0.210 233 L C 2.540 179.389 176.870 -0.036 0.000 1.081 233 L CA 2.309 57.160 54.840 0.017 0.000 0.752 233 L CB -0.220 41.686 42.059 -0.256 0.000 0.896 233 L HN 0.407 nan 8.230 nan 0.000 0.433 234 L N -0.958 120.244 121.223 -0.036 0.000 2.610 234 L HA -0.065 4.274 4.340 -0.001 0.000 0.232 234 L C 2.152 179.032 176.870 0.016 0.000 1.149 234 L CA 0.907 55.730 54.840 -0.027 0.000 0.872 234 L CB -0.888 41.150 42.059 -0.036 0.000 0.992 234 L HN 0.456 nan 8.230 nan 0.000 0.447 235 T N -3.786 110.787 114.554 0.032 0.000 3.035 235 T HA 0.019 4.369 4.350 -0.001 0.000 0.268 235 T C 1.593 176.289 174.700 -0.007 0.000 1.109 235 T CA 0.653 62.764 62.100 0.018 0.000 1.119 235 T CB -0.004 68.871 68.868 0.012 0.000 0.900 235 T HN 0.448 nan 8.240 nan 0.000 0.503 236 G N 2.430 111.227 108.800 -0.004 0.000 2.143 236 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.248 236 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.248 236 G C 0.684 175.578 174.900 -0.009 0.000 0.991 236 G CA 0.586 45.688 45.100 0.003 0.000 0.689 236 G HN 0.806 nan 8.290 nan 0.000 0.522 237 K N -0.901 119.437 120.400 -0.102 0.000 2.400 237 K HA 0.212 4.531 4.320 -0.001 0.000 0.194 237 K C 0.379 176.853 176.600 -0.210 0.000 1.033 237 K CA 0.136 56.297 56.287 -0.209 0.000 1.021 237 K CB 0.231 32.526 32.500 -0.342 0.000 0.808 237 K HN 0.379 nan 8.250 nan 0.000 0.505 238 Y N 1.402 121.782 120.300 0.133 0.000 2.453 238 Y HA 0.508 5.058 4.550 -0.001 0.000 0.326 238 Y C 0.481 176.501 175.900 0.200 0.000 1.186 238 Y CA -0.751 57.471 58.100 0.204 0.000 1.200 238 Y CB 1.302 39.905 38.460 0.239 0.000 1.247 238 Y HN -0.027 nan 8.280 nan 0.000 0.482 239 K N 0.393 120.918 120.400 0.208 0.000 2.371 239 K HA 0.320 4.639 4.320 -0.001 0.000 0.251 239 K C -0.089 176.187 176.600 -0.539 0.000 0.934 239 K CA -0.881 55.317 56.287 -0.150 0.000 0.798 239 K CB 0.466 32.944 32.500 -0.036 0.000 1.204 239 K HN 0.833 nan 8.250 nan 0.000 0.427 240 Y N 1.230 120.645 120.300 -1.476 0.000 2.181 240 Y HA -0.263 4.287 4.550 -0.001 0.000 0.284 240 Y C 1.963 177.798 175.900 -0.108 0.000 1.179 240 Y CA 3.202 60.585 58.100 -1.195 0.000 1.179 240 Y CB 0.156 38.092 38.460 -0.874 0.000 0.973 240 Y HN 0.679 nan 8.280 nan 0.000 0.519 241 E N -0.269 119.884 120.200 -0.079 0.000 2.516 241 E HA -0.122 4.227 4.350 -0.001 0.000 0.199 241 E C 1.291 177.885 176.600 -0.011 0.000 1.069 241 E CA 0.777 57.161 56.400 -0.026 0.000 0.876 241 E CB -0.424 29.288 29.700 0.019 0.000 0.843 241 E HN 0.636 nan 8.360 nan 0.000 0.530 242 D N 0.733 121.187 120.400 0.090 0.000 2.224 242 D HA -0.133 4.506 4.640 -0.001 0.000 0.205 242 D C 2.131 178.365 176.300 -0.110 0.000 0.965 242 D CA 1.493 55.525 54.000 0.052 0.000 0.852 242 D CB -0.308 40.635 40.800 0.239 0.000 0.947 242 D HN 0.461 nan 8.370 nan 0.000 0.494 243 K N 0.699 121.069 120.400 -0.051 0.000 2.152 243 K HA -0.124 4.196 4.320 -0.001 0.000 0.206 243 K C 1.239 177.763 176.600 -0.126 0.000 1.048 243 K CA 1.292 57.489 56.287 -0.149 0.000 0.933 243 K CB -0.683 31.613 32.500 -0.340 0.000 0.721 243 K HN 0.156 nan 8.250 nan 0.000 0.447 244 D N -0.299 120.034 120.400 -0.112 0.000 2.305 244 D HA 0.189 4.828 4.640 -0.001 0.000 0.206 244 D C 1.657 177.907 176.300 -0.083 0.000 0.974 244 D CA 1.280 55.233 54.000 -0.079 0.000 0.871 244 D CB 0.411 41.181 40.800 -0.049 0.000 0.947 244 D HN 0.559 nan 8.370 nan 0.000 0.516 245 G N 0.250 108.985 108.800 -0.109 0.000 2.465 245 G HA2 0.147 4.106 3.960 -0.001 0.000 0.178 245 G HA3 0.147 4.106 3.960 -0.001 0.000 0.178 245 G C 1.616 176.429 174.900 -0.146 0.000 1.591 245 G CA 0.677 45.717 45.100 -0.101 0.000 0.689 245 G HN 0.239 nan 8.290 nan 0.000 0.708 246 K N 0.266 120.575 120.400 -0.151 0.000 2.057 246 K HA 0.015 4.335 4.320 -0.001 0.000 0.207 246 K C 1.221 177.643 176.600 -0.296 0.000 1.049 246 K CA 1.782 57.972 56.287 -0.162 0.000 0.931 246 K CB -1.260 31.183 32.500 -0.094 0.000 0.714 246 K HN 0.596 nan 8.250 nan 0.000 0.440 247 Q N 0.464 119.911 119.800 -0.589 0.000 2.426 247 Q HA -0.107 4.233 4.340 -0.001 0.000 0.359 247 Q C -2.237 173.335 176.000 -0.714 0.000 1.381 247 Q CA 0.114 55.195 55.803 -1.202 0.000 1.060 247 Q CB -1.541 26.772 28.738 -0.708 0.000 1.253 247 Q HN 0.569 nan 8.270 nan 0.000 0.363 248 P HA 0.147 nan 4.420 nan 0.000 0.276 248 P C 0.306 177.724 177.300 0.196 0.000 1.253 248 P CA 0.220 63.317 63.100 -0.004 0.000 0.766 248 P CB 0.514 32.306 31.700 0.152 0.000 0.845 249 V N 3.363 123.363 119.914 0.143 0.000 2.536 249 V HA 0.297 4.417 4.120 -0.001 0.000 0.287 249 V C 1.092 177.327 176.094 0.236 0.000 0.979 249 V CA 1.553 63.963 62.300 0.184 0.000 1.161 249 V CB -1.123 30.762 31.823 0.103 0.000 0.915 249 V HN 0.823 nan 8.190 nan 0.000 0.467 250 G N 3.472 112.453 108.800 0.301 0.000 2.677 250 G HA2 0.420 4.380 3.960 -0.001 0.000 0.283 250 G HA3 0.420 4.380 3.960 -0.001 0.000 0.283 250 G C 0.478 175.493 174.900 0.192 0.000 1.221 250 G CA 0.189 45.465 45.100 0.293 0.000 0.851 250 G HN 0.779 nan 8.290 nan 0.000 0.504 251 R N -0.634 119.968 120.500 0.170 0.000 2.096 251 R HA 0.151 4.490 4.340 -0.001 0.000 0.235 251 R C 1.676 177.784 176.300 -0.320 0.000 1.127 251 R CA 1.920 57.930 56.100 -0.151 0.000 0.968 251 R CB -0.625 29.504 30.300 -0.286 0.000 0.861 251 R HN 0.372 nan 8.270 nan 0.000 0.440 252 F N -1.607 118.259 119.950 -0.140 0.000 2.727 252 F HA 0.335 4.861 4.527 -0.001 0.000 0.302 252 F C -0.328 174.898 175.800 -0.957 0.000 1.097 252 F CA -0.172 57.526 58.000 -0.503 0.000 1.330 252 F CB 0.457 39.058 39.000 -0.665 0.000 1.084 252 F HN -0.193 nan 8.300 nan 0.000 0.578 253 F N -0.431 119.565 119.950 0.078 0.000 2.574 253 F HA 0.549 5.076 4.527 -0.001 0.000 0.313 253 F C 0.648 176.458 175.800 0.017 0.000 1.130 253 F CA -1.575 56.434 58.000 0.014 0.000 0.936 253 F CB 1.742 40.747 39.000 0.009 0.000 1.219 253 F HN -0.108 nan 8.300 nan 0.000 0.445 254 G N 2.313 111.211 108.800 0.163 0.000 2.212 254 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.255 254 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.255 254 G C -0.744 174.185 174.900 0.049 0.000 1.062 254 G CA 0.298 45.454 45.100 0.093 0.000 0.815 254 G HN 1.109 nan 8.290 nan 0.000 0.497 255 N N -3.205 115.509 118.700 0.024 0.000 2.732 255 N HA 0.638 5.377 4.740 -0.001 0.000 0.259 255 N C 0.937 176.417 175.510 -0.048 0.000 1.402 255 N CA -0.120 52.935 53.050 0.008 0.000 0.829 255 N CB 0.311 38.829 38.487 0.052 0.000 1.495 255 N HN -0.119 nan 8.380 nan 0.000 0.511 256 T N -0.904 113.579 114.554 -0.118 0.000 2.685 256 T HA -0.183 4.166 4.350 -0.001 0.000 0.268 256 T C 0.306 174.735 174.700 -0.452 0.000 1.034 256 T CA 1.834 63.714 62.100 -0.366 0.000 1.149 256 T CB -0.391 68.134 68.868 -0.572 0.000 0.860 256 T HN 0.620 nan 8.240 nan 0.000 0.449 257 W N 0.756 122.056 121.300 0.000 0.000 3.316 257 W HA 0.635 5.295 4.660 -0.001 0.000 0.327 257 W C 2.241 178.772 176.519 0.020 0.000 1.232 257 W CA -0.292 57.074 57.345 0.035 0.000 1.805 257 W CB -0.417 29.104 29.460 0.101 0.000 1.090 257 W HN 0.211 nan 8.180 nan 0.000 0.654 258 A N 0.963 123.831 122.820 0.079 0.000 1.884 258 A HA -0.336 3.984 4.320 -0.001 0.000 0.219 258 A C 1.877 179.422 177.584 -0.064 0.000 1.197 258 A CA 2.376 54.383 52.037 -0.051 0.000 0.637 258 A CB -0.750 18.194 19.000 -0.094 0.000 0.827 258 A HN 0.412 nan 8.150 nan 0.000 0.450 259 E N -0.954 119.215 120.200 -0.051 0.000 2.106 259 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 259 E C 2.024 178.618 176.600 -0.009 0.000 0.984 259 E CA 1.221 57.587 56.400 -0.057 0.000 0.806 259 E CB -0.218 29.445 29.700 -0.062 0.000 0.750 259 E HN 0.656 nan 8.360 nan 0.000 0.458 260 M N -0.491 119.135 119.600 0.043 0.000 2.080 260 M HA -0.219 4.261 4.480 -0.001 0.000 0.260 260 M C 1.529 177.782 176.300 -0.078 0.000 1.068 260 M CA 1.624 56.934 55.300 0.017 0.000 1.109 260 M CB -0.172 32.502 32.600 0.123 0.000 1.342 260 M HN 0.216 nan 8.290 nan 0.000 0.405 261 Y N 0.296 120.550 120.300 -0.077 0.000 2.293 261 Y HA -0.138 4.411 4.550 -0.001 0.000 0.291 261 Y C 2.499 178.429 175.900 0.050 0.000 1.137 261 Y CA 1.581 59.581 58.100 -0.167 0.000 1.202 261 Y CB -0.234 37.901 38.460 -0.542 0.000 0.990 261 Y HN 0.247 nan 8.280 nan 0.000 0.537 262 R N -0.111 120.501 120.500 0.185 0.000 2.066 262 R HA -0.153 4.186 4.340 -0.001 0.000 0.232 262 R C 1.778 178.199 176.300 0.201 0.000 1.131 262 R CA 1.424 57.681 56.100 0.262 0.000 0.955 262 R CB -0.325 29.955 30.300 -0.034 0.000 0.851 262 R HN 0.356 nan 8.270 nan 0.000 0.432 263 N N 0.540 119.279 118.700 0.064 0.000 2.289 263 N HA -0.165 4.575 4.740 -0.001 0.000 0.184 263 N C 1.659 177.148 175.510 -0.036 0.000 1.016 263 N CA 0.934 53.999 53.050 0.025 0.000 0.872 263 N CB -0.151 38.326 38.487 -0.017 0.000 0.973 263 N HN 0.264 nan 8.380 nan 0.000 0.433 264 R N -0.529 119.893 120.500 -0.130 0.000 2.055 264 R HA -0.011 4.329 4.340 -0.001 0.000 0.226 264 R C 1.094 177.178 176.300 -0.361 0.000 1.135 264 R CA 1.220 57.097 56.100 -0.371 0.000 0.959 264 R CB 0.049 29.914 30.300 -0.724 0.000 0.854 264 R HN 0.264 nan 8.270 nan 0.000 0.431 265 Y N -2.834 117.510 120.300 0.074 0.000 2.467 265 Y HA 0.099 4.649 4.550 -0.001 0.000 0.259 265 Y C 0.600 176.348 175.900 -0.254 0.000 1.084 265 Y CA -0.920 57.088 58.100 -0.153 0.000 1.275 265 Y CB 0.479 39.039 38.460 0.167 0.000 1.208 265 Y HN 0.168 nan 8.280 nan 0.000 0.511 266 W N 4.516 125.871 121.300 0.093 0.000 1.438 266 W HA 0.192 4.852 4.660 -0.001 0.000 0.455 266 W C -0.768 175.925 176.519 0.290 0.000 0.656 266 W CA 0.195 57.642 57.345 0.169 0.000 2.049 266 W CB -0.235 29.325 29.460 0.168 0.000 1.683 266 W HN -0.116 nan 8.180 nan 0.000 0.228 267 K N 0.788 121.350 120.400 0.271 0.000 2.221 267 K HA 0.308 4.628 4.320 -0.001 0.000 0.243 267 K C 1.145 177.935 176.600 0.318 0.000 0.968 267 K CA 0.079 56.585 56.287 0.364 0.000 0.846 267 K CB 0.905 33.597 32.500 0.320 0.000 1.141 267 K HN 0.232 nan 8.250 nan 0.000 0.434 268 E N 1.359 121.563 120.200 0.006 0.000 2.051 268 E HA -0.200 4.150 4.350 -0.001 0.000 0.192 268 E C 1.588 178.136 176.600 -0.088 0.000 0.991 268 E CA 1.650 57.825 56.400 -0.374 0.000 0.799 268 E CB -0.832 28.497 29.700 -0.617 0.000 0.748 268 E HN 0.553 nan 8.360 nan 0.000 0.449 269 H N -0.677 118.435 119.070 0.070 0.000 2.456 269 H HA -0.061 4.494 4.556 -0.001 0.000 0.296 269 H C 2.105 177.453 175.328 0.034 0.000 1.079 269 H CA 1.620 57.704 56.048 0.060 0.000 1.322 269 H CB -0.101 29.711 29.762 0.084 0.000 1.388 269 H HN 0.630 nan 8.280 nan 0.000 0.538 270 H N -0.623 118.501 119.070 0.089 0.000 2.326 270 H HA -0.078 4.477 4.556 -0.001 0.000 0.301 270 H C 1.950 177.189 175.328 -0.149 0.000 1.081 270 H CA 1.383 57.400 56.048 -0.053 0.000 1.334 270 H CB -0.389 29.282 29.762 -0.151 0.000 1.385 270 H HN 0.203 nan 8.280 nan 0.000 0.504 271 F N 0.936 120.906 119.950 0.033 0.000 2.234 271 F HA -0.106 4.421 4.527 -0.001 0.000 0.299 271 F C 2.313 178.086 175.800 -0.045 0.000 1.087 271 F CA 1.031 59.000 58.000 -0.051 0.000 1.340 271 F CB -0.146 38.796 39.000 -0.097 0.000 1.031 271 F HN 0.224 nan 8.300 nan 0.000 0.500 272 E N -0.080 120.191 120.200 0.118 0.000 2.070 272 E HA -0.211 4.138 4.350 -0.001 0.000 0.197 272 E C 2.606 179.221 176.600 0.024 0.000 1.004 272 E CA 1.172 57.607 56.400 0.058 0.000 0.805 272 E CB -0.678 29.063 29.700 0.068 0.000 0.744 272 E HN 0.480 nan 8.360 nan 0.000 0.451 273 G N 1.026 109.828 108.800 0.005 0.000 2.402 273 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.216 273 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.216 273 G C 1.594 176.451 174.900 -0.072 0.000 1.162 273 G CA 0.505 45.581 45.100 -0.040 0.000 0.777 273 G HN 0.121 nan 8.290 nan 0.000 0.539 274 I N 1.384 121.913 120.570 -0.068 0.000 2.226 274 I HA -0.187 3.983 4.170 -0.001 0.000 0.245 274 I C 3.287 179.362 176.117 -0.070 0.000 1.100 274 I CA 0.978 62.229 61.300 -0.082 0.000 1.374 274 I CB -0.162 37.788 38.000 -0.084 0.000 1.057 274 I HN 0.244 nan 8.210 nan 0.000 0.413 275 A N 0.594 123.401 122.820 -0.022 0.000 1.908 275 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 275 A C 2.369 179.921 177.584 -0.054 0.000 1.181 275 A CA 1.539 53.565 52.037 -0.019 0.000 0.627 275 A CB -0.927 18.080 19.000 0.011 0.000 0.818 275 A HN 0.444 nan 8.150 nan 0.000 0.445 276 L N -0.490 120.695 121.223 -0.063 0.000 2.079 276 L HA -0.157 4.183 4.340 -0.001 0.000 0.210 276 L C 2.448 179.233 176.870 -0.141 0.000 1.081 276 L CA 1.332 56.124 54.840 -0.080 0.000 0.752 276 L CB -0.138 41.881 42.059 -0.067 0.000 0.896 276 L HN 0.254 nan 8.230 nan 0.000 0.433 277 V N -0.340 119.442 119.914 -0.219 0.000 2.379 277 V HA -0.247 3.872 4.120 -0.001 0.000 0.245 277 V C 2.292 178.230 176.094 -0.260 0.000 1.044 277 V CA 1.778 63.858 62.300 -0.367 0.000 1.036 277 V CB -0.334 31.098 31.823 -0.652 0.000 0.664 277 V HN 0.472 nan 8.190 nan 0.000 0.453 278 E N -0.171 119.925 120.200 -0.173 0.000 2.110 278 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 278 E C 2.428 178.977 176.600 -0.085 0.000 0.988 278 E CA 1.577 57.908 56.400 -0.115 0.000 0.804 278 E CB -0.143 29.515 29.700 -0.070 0.000 0.745 278 E HN 0.388 nan 8.360 nan 0.000 0.458 279 K N 0.432 120.788 120.400 -0.074 0.000 2.057 279 K HA -0.027 4.292 4.320 -0.001 0.000 0.206 279 K C 2.062 178.635 176.600 -0.046 0.000 1.050 279 K CA 1.015 57.273 56.287 -0.048 0.000 0.935 279 K CB -0.420 32.057 32.500 -0.038 0.000 0.715 279 K HN 0.288 nan 8.250 nan 0.000 0.439 280 A N 0.528 123.303 122.820 -0.074 0.000 1.969 280 A HA 0.072 4.391 4.320 -0.001 0.000 0.218 280 A C 2.283 179.846 177.584 -0.034 0.000 1.169 280 A CA 1.528 53.529 52.037 -0.059 0.000 0.635 280 A CB -0.461 18.479 19.000 -0.099 0.000 0.810 280 A HN 0.448 nan 8.150 nan 0.000 0.445 281 L N -1.111 120.061 121.223 -0.084 0.000 2.005 281 L HA -0.219 4.121 4.340 -0.001 0.000 0.207 281 L C 3.160 180.035 176.870 0.009 0.000 1.072 281 L CA 1.651 56.437 54.840 -0.090 0.000 0.744 281 L CB -0.743 41.212 42.059 -0.173 0.000 0.895 281 L HN 0.417 nan 8.230 nan 0.000 0.433 282 Q N -0.762 119.037 119.800 -0.003 0.000 2.135 282 Q HA -0.185 4.155 4.340 -0.001 0.000 0.204 282 Q C 2.347 178.379 176.000 0.053 0.000 0.981 282 Q CA 1.288 57.108 55.803 0.028 0.000 0.856 282 Q CB -0.738 28.004 28.738 0.006 0.000 0.902 282 Q HN 0.712 nan 8.270 nan 0.000 0.425 283 A N 0.419 123.264 122.820 0.042 0.000 1.877 283 A HA 0.065 4.384 4.320 -0.001 0.000 0.216 283 A C 2.309 179.932 177.584 0.065 0.000 1.186 283 A CA 1.814 53.875 52.037 0.041 0.000 0.620 283 A CB -0.748 18.266 19.000 0.023 0.000 0.822 283 A HN 0.563 nan 8.150 nan 0.000 0.443 284 A N -3.054 119.840 122.820 0.122 0.000 2.081 284 A HA 0.326 4.646 4.320 -0.001 0.000 0.214 284 A C 1.707 179.359 177.584 0.112 0.000 1.158 284 A CA 0.961 53.075 52.037 0.129 0.000 0.724 284 A CB -0.212 18.902 19.000 0.190 0.000 0.826 284 A HN 0.533 nan 8.150 nan 0.000 0.463 285 Y N -1.626 118.671 120.300 -0.005 0.000 2.526 285 Y HA 0.387 4.937 4.550 -0.001 0.000 0.265 285 Y C 1.855 177.754 175.900 -0.001 0.000 1.092 285 Y CA 0.057 58.157 58.100 -0.001 0.000 1.277 285 Y CB 0.067 38.529 38.460 0.003 0.000 1.228 285 Y HN 0.453 nan 8.280 nan 0.000 0.507 286 G N 1.130 110.021 108.800 0.151 0.000 2.531 286 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.274 286 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.274 286 G C 1.448 176.391 174.900 0.072 0.000 1.159 286 G CA 0.688 45.836 45.100 0.080 0.000 0.969 286 G HN 0.643 nan 8.290 nan 0.000 0.554 287 A N -0.774 122.078 122.820 0.053 0.000 1.933 287 A HA 0.360 4.680 4.320 -0.001 0.000 0.218 287 A C 2.859 180.477 177.584 0.056 0.000 1.175 287 A CA 3.138 55.201 52.037 0.043 0.000 0.628 287 A CB -1.078 17.940 19.000 0.031 0.000 0.814 287 A HN 2.428 nan 8.150 nan 0.000 0.444 288 S N -0.390 115.358 115.700 0.081 0.000 2.720 288 S HA 0.573 5.042 4.470 -0.001 0.000 0.222 288 S C 0.901 175.591 174.600 0.151 0.000 0.958 288 S CA 0.472 58.734 58.200 0.103 0.000 0.943 288 S CB -0.806 62.456 63.200 0.103 0.000 0.779 288 S HN 0.964 nan 8.310 nan 0.000 0.526 289 A N 2.908 125.800 122.820 0.120 0.000 2.488 289 A HA 0.529 4.849 4.320 -0.001 0.000 0.249 289 A C -1.732 175.832 177.584 -0.033 0.000 1.083 289 A CA -0.944 51.119 52.037 0.043 0.000 0.768 289 A CB -0.100 18.904 19.000 0.007 0.000 1.017 289 A HN 0.393 nan 8.150 nan 0.000 0.496 290 P HA 0.256 nan 4.420 nan 0.000 0.276 290 P C 0.073 177.330 177.300 -0.072 0.000 1.244 290 P CA -0.347 62.705 63.100 -0.079 0.000 0.801 290 P CB 0.805 32.443 31.700 -0.103 0.000 1.006 291 S N 0.773 116.455 115.700 -0.030 0.000 2.573 291 S HA 0.048 4.517 4.470 -0.001 0.000 0.277 291 S C 1.208 175.799 174.600 -0.014 0.000 1.346 291 S CA -0.310 57.878 58.200 -0.019 0.000 1.034 291 S CB -0.051 63.149 63.200 -0.000 0.000 0.879 291 S HN 0.632 nan 8.310 nan 0.000 0.528 292 M N 0.427 120.021 119.600 -0.009 0.000 2.495 292 M HA 0.149 4.629 4.480 -0.001 0.000 0.237 292 M C 1.150 177.488 176.300 0.063 0.000 1.131 292 M CA 0.274 55.586 55.300 0.019 0.000 1.032 292 M CB -0.719 31.869 32.600 -0.020 0.000 1.513 292 M HN 0.622 nan 8.290 nan 0.000 0.488 293 T N 0.334 114.915 114.554 0.044 0.000 2.684 293 T HA -0.149 4.201 4.350 -0.001 0.000 0.267 293 T C 1.962 176.711 174.700 0.082 0.000 1.036 293 T CA 2.144 64.279 62.100 0.058 0.000 1.148 293 T CB -0.292 68.602 68.868 0.043 0.000 0.863 293 T HN 0.607 nan 8.240 nan 0.000 0.436 294 S N 0.595 116.337 115.700 0.069 0.000 2.355 294 S HA -0.022 4.447 4.470 -0.001 0.000 0.222 294 S C 2.432 177.107 174.600 0.124 0.000 1.031 294 S CA 1.207 59.456 58.200 0.082 0.000 0.993 294 S CB -0.586 62.643 63.200 0.049 0.000 0.859 294 S HN 0.516 nan 8.310 nan 0.000 0.453 295 A N 0.548 123.441 122.820 0.122 0.000 1.908 295 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 295 A C 2.350 180.137 177.584 0.339 0.000 1.181 295 A CA 2.385 54.553 52.037 0.218 0.000 0.627 295 A CB -1.560 17.541 19.000 0.168 0.000 0.818 295 A HN 0.578 nan 8.150 nan 0.000 0.445 296 T N 0.365 115.088 114.554 0.281 0.000 2.746 296 T HA -0.071 4.279 4.350 -0.001 0.000 0.267 296 T C 1.823 176.579 174.700 0.093 0.000 1.039 296 T CA 1.451 63.618 62.100 0.111 0.000 1.142 296 T CB -0.359 68.555 68.868 0.076 0.000 0.866 296 T HN 0.360 nan 8.240 nan 0.000 0.444 297 L N 0.234 121.554 121.223 0.161 0.000 2.056 297 L HA -0.046 4.294 4.340 -0.001 0.000 0.207 297 L C 2.864 179.947 176.870 0.354 0.000 1.078 297 L CA 1.318 56.300 54.840 0.237 0.000 0.749 297 L CB -0.403 41.806 42.059 0.250 0.000 0.901 297 L HN 0.131 nan 8.230 nan 0.000 0.433 298 R N -1.169 119.525 120.500 0.323 0.000 2.120 298 R HA -0.231 4.109 4.340 -0.001 0.000 0.234 298 R C 2.027 178.581 176.300 0.424 0.000 1.123 298 R CA 1.763 58.103 56.100 0.400 0.000 0.975 298 R CB -0.402 30.106 30.300 0.346 0.000 0.866 298 R HN 0.421 nan 8.270 nan 0.000 0.446 299 W N 0.677 122.039 121.300 0.104 0.000 2.358 299 W HA -0.188 4.471 4.660 -0.001 0.000 0.303 299 W C 1.786 178.262 176.519 -0.071 0.000 1.208 299 W CA 1.232 58.559 57.345 -0.029 0.000 1.274 299 W CB 0.067 29.185 29.460 -0.569 0.000 1.138 299 W HN -0.044 nan 8.180 nan 0.000 0.515 300 M N -0.847 118.839 119.600 0.144 0.000 2.099 300 M HA -0.206 4.274 4.480 -0.001 0.000 0.262 300 M C 1.856 177.985 176.300 -0.284 0.000 1.067 300 M CA 1.735 56.956 55.300 -0.133 0.000 1.124 300 M CB -1.754 30.757 32.600 -0.148 0.000 1.353 300 M HN 0.108 nan 8.290 nan 0.000 0.410 301 Y N -0.724 119.495 120.300 -0.135 0.000 2.263 301 Y HA -0.170 4.380 4.550 -0.001 0.000 0.292 301 Y C 2.605 178.235 175.900 -0.450 0.000 1.130 301 Y CA 1.333 59.268 58.100 -0.276 0.000 1.179 301 Y CB -0.326 37.946 38.460 -0.314 0.000 0.998 301 Y HN 0.349 nan 8.280 nan 0.000 0.532 302 H N -3.011 116.003 119.070 -0.093 0.000 2.545 302 H HA 0.174 4.730 4.556 -0.001 0.000 0.283 302 H C 0.848 175.793 175.328 -0.640 0.000 0.997 302 H CA 0.975 56.809 56.048 -0.357 0.000 1.269 302 H CB 0.401 29.905 29.762 -0.429 0.000 1.451 302 H HN 0.416 nan 8.280 nan 0.000 0.508 303 H N 0.247 119.106 119.070 -0.351 0.000 2.784 303 H HA 0.187 4.742 4.556 -0.001 0.000 0.273 303 H C 0.994 175.733 175.328 -0.980 0.000 1.112 303 H CA 0.129 55.835 56.048 -0.571 0.000 1.162 303 H CB 1.135 30.551 29.762 -0.575 0.000 1.586 303 H HN 0.158 nan 8.280 nan 0.000 0.548 304 S N 0.273 115.400 115.700 -0.956 0.000 2.666 304 S HA 0.086 4.556 4.470 -0.001 0.000 0.279 304 S C 1.226 175.648 174.600 -0.297 0.000 1.149 304 S CA -0.613 57.031 58.200 -0.926 0.000 1.020 304 S CB 1.567 64.276 63.200 -0.819 0.000 1.127 304 S HN 0.093 nan 8.310 nan 0.000 0.537 305 Q N -0.204 119.571 119.800 -0.041 0.000 2.451 305 Q HA 0.280 4.619 4.340 -0.001 0.000 0.206 305 Q C 0.118 176.248 176.000 0.217 0.000 0.947 305 Q CA 0.037 55.885 55.803 0.076 0.000 0.937 305 Q CB -0.475 28.261 28.738 -0.005 0.000 1.025 305 Q HN 0.571 nan 8.270 nan 0.000 0.511 306 L N 1.719 123.069 121.223 0.211 0.000 2.485 306 L HA -0.034 4.306 4.340 -0.001 0.000 0.275 306 L C 0.335 177.245 176.870 0.066 0.000 1.207 306 L CA 0.760 55.707 54.840 0.179 0.000 0.855 306 L CB 0.189 42.327 42.059 0.132 0.000 1.114 306 L HN 0.008 nan 8.230 nan 0.000 0.485 307 Q N 1.183 121.026 119.800 0.072 0.000 2.275 307 Q HA 0.193 4.532 4.340 -0.001 0.000 0.266 307 Q C 0.832 176.816 176.000 -0.027 0.000 1.002 307 Q CA -0.241 55.550 55.803 -0.020 0.000 0.761 307 Q CB 1.987 30.668 28.738 -0.094 0.000 1.255 307 Q HN 0.851 nan 8.270 nan 0.000 0.446 308 G N 1.870 110.649 108.800 -0.034 0.000 2.505 308 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.220 308 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.220 308 G C 1.313 176.192 174.900 -0.035 0.000 1.145 308 G CA 1.260 46.355 45.100 -0.009 0.000 0.761 308 G HN 0.705 nan 8.290 nan 0.000 0.571 309 A N 0.607 123.351 122.820 -0.127 0.000 1.940 309 A HA -0.211 4.109 4.320 -0.001 0.000 0.221 309 A C 2.032 179.541 177.584 -0.125 0.000 1.190 309 A CA 2.057 53.985 52.037 -0.181 0.000 0.647 309 A CB -0.779 18.022 19.000 -0.333 0.000 0.821 309 A HN 0.645 nan 8.150 nan 0.000 0.457 310 H N -1.986 117.103 119.070 0.032 0.000 2.539 310 H HA 0.376 4.932 4.556 -0.001 0.000 0.269 310 H C 1.415 176.780 175.328 0.062 0.000 0.980 310 H CA 0.162 56.230 56.048 0.034 0.000 1.152 310 H CB 0.233 30.005 29.762 0.016 0.000 1.407 310 H HN 0.704 nan 8.280 nan 0.000 0.564 311 G N 1.177 110.073 108.800 0.160 0.000 2.136 311 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.242 311 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.242 311 G C -0.514 174.532 174.900 0.244 0.000 0.989 311 G CA 0.006 45.211 45.100 0.176 0.000 0.682 311 G HN 0.325 nan 8.290 nan 0.000 0.522 312 D N 0.560 121.091 120.400 0.218 0.000 2.382 312 D HA 0.620 5.259 4.640 -0.001 0.000 0.240 312 D C 0.697 177.099 176.300 0.169 0.000 1.146 312 D CA 1.240 55.399 54.000 0.266 0.000 0.897 312 D CB 1.398 42.335 40.800 0.227 0.000 1.197 312 D HN 0.963 nan 8.370 nan 0.000 0.432 313 A N 0.653 123.552 122.820 0.132 0.000 2.566 313 A HA 0.626 4.946 4.320 -0.001 0.000 0.292 313 A C -1.217 176.312 177.584 -0.091 0.000 1.112 313 A CA -0.683 51.279 52.037 -0.125 0.000 0.707 313 A CB 1.545 20.189 19.000 -0.593 0.000 1.302 313 A HN 0.277 nan 8.150 nan 0.000 0.409 314 V N 1.523 121.338 119.914 -0.165 0.000 2.448 314 V HA 0.372 4.491 4.120 -0.001 0.000 0.295 314 V C -0.469 175.583 176.094 -0.070 0.000 1.025 314 V CA -0.185 62.032 62.300 -0.139 0.000 0.859 314 V CB 1.347 32.945 31.823 -0.375 0.000 0.988 314 V HN 0.652 nan 8.190 nan 0.000 0.431 315 I N 5.949 126.514 120.570 -0.008 0.000 2.301 315 I HA 0.306 4.476 4.170 -0.001 0.000 0.292 315 I C -0.154 175.982 176.117 0.033 0.000 1.046 315 I CA -0.142 61.162 61.300 0.007 0.000 1.282 315 I CB 0.748 38.780 38.000 0.052 0.000 1.409 315 I HN 0.354 nan 8.210 nan 0.000 0.484 316 L N 5.919 127.153 121.223 0.018 0.000 2.349 316 L HA 0.490 4.829 4.340 -0.001 0.000 0.275 316 L C 0.823 177.693 176.870 0.001 0.000 1.115 316 L CA -0.231 54.631 54.840 0.037 0.000 0.820 316 L CB 1.068 43.166 42.059 0.064 0.000 1.135 316 L HN 0.652 nan 8.230 nan 0.000 0.445 317 G N 4.626 113.437 108.800 0.018 0.000 2.417 317 G HA2 0.780 4.739 3.960 -0.001 0.000 0.334 317 G HA3 0.780 4.739 3.960 -0.001 0.000 0.334 317 G C -0.751 174.148 174.900 -0.001 0.000 1.150 317 G CA -0.451 44.643 45.100 -0.009 0.000 0.923 317 G HN 0.446 nan 8.290 nan 0.000 0.485 318 M N -0.035 119.551 119.600 -0.023 0.000 2.605 318 M HA 0.403 4.883 4.480 -0.001 0.000 0.281 318 M C -0.513 175.775 176.300 -0.019 0.000 1.166 318 M CA -0.851 54.446 55.300 -0.005 0.000 0.875 318 M CB 0.977 33.579 32.600 0.004 0.000 1.732 318 M HN 0.602 nan 8.290 nan 0.000 0.504 319 S N -0.145 115.555 115.700 -0.001 0.000 2.559 319 S HA 0.452 4.922 4.470 -0.001 0.000 0.226 319 S C 0.409 175.013 174.600 0.006 0.000 1.000 319 S CA 0.389 58.588 58.200 -0.003 0.000 0.948 319 S CB -0.308 62.899 63.200 0.011 0.000 0.870 319 S HN 1.272 nan 8.310 nan 0.000 0.497 320 S N 0.072 115.779 115.700 0.011 0.000 2.625 320 S HA 0.612 5.081 4.470 -0.001 0.000 0.271 320 S C 0.143 174.754 174.600 0.019 0.000 1.161 320 S CA -0.783 57.425 58.200 0.015 0.000 0.820 320 S CB 0.989 64.200 63.200 0.019 0.000 1.137 320 S HN 0.074 nan 8.310 nan 0.000 0.470 321 L N 1.535 122.771 121.223 0.022 0.000 2.072 321 L HA 0.240 4.580 4.340 -0.001 0.000 0.205 321 L C 2.902 179.791 176.870 0.032 0.000 1.079 321 L CA 2.836 57.693 54.840 0.030 0.000 0.752 321 L CB -1.438 40.638 42.059 0.029 0.000 0.906 321 L HN 1.051 nan 8.230 nan 0.000 0.436 322 E N -0.683 119.533 120.200 0.027 0.000 2.160 322 E HA -0.301 4.048 4.350 -0.001 0.000 0.195 322 E C 2.011 178.628 176.600 0.029 0.000 0.991 322 E CA 1.830 58.246 56.400 0.026 0.000 0.810 322 E CB -0.831 28.881 29.700 0.021 0.000 0.742 322 E HN 0.804 nan 8.360 nan 0.000 0.466 323 Q N -1.277 118.541 119.800 0.029 0.000 2.083 323 Q HA 0.032 4.372 4.340 -0.001 0.000 0.198 323 Q C 2.413 178.438 176.000 0.042 0.000 0.969 323 Q CA 1.199 57.022 55.803 0.033 0.000 0.838 323 Q CB -0.108 28.649 28.738 0.031 0.000 0.900 323 Q HN 0.526 nan 8.270 nan 0.000 0.436 324 L N 1.514 122.764 121.223 0.045 0.000 2.005 324 L HA -0.178 4.162 4.340 -0.001 0.000 0.207 324 L C 2.412 179.324 176.870 0.070 0.000 1.072 324 L CA 2.727 57.604 54.840 0.061 0.000 0.744 324 L CB -0.970 41.129 42.059 0.067 0.000 0.895 324 L HN 0.236 nan 8.230 nan 0.000 0.433 325 E N -0.505 119.731 120.200 0.060 0.000 2.097 325 E HA -0.358 3.991 4.350 -0.001 0.000 0.196 325 E C 2.161 178.790 176.600 0.047 0.000 1.000 325 E CA 1.764 58.197 56.400 0.055 0.000 0.804 325 E CB -1.016 28.710 29.700 0.044 0.000 0.740 325 E HN 0.785 nan 8.360 nan 0.000 0.454 326 Q N -0.142 119.684 119.800 0.043 0.000 2.096 326 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 326 Q C 2.027 178.054 176.000 0.046 0.000 0.982 326 Q CA 1.835 57.661 55.803 0.039 0.000 0.850 326 Q CB -0.049 28.710 28.738 0.034 0.000 0.901 326 Q HN 0.533 nan 8.270 nan 0.000 0.422 327 N N 0.142 118.875 118.700 0.055 0.000 2.173 327 N HA -0.069 4.670 4.740 -0.001 0.000 0.184 327 N C 1.822 177.368 175.510 0.060 0.000 1.025 327 N CA 0.786 53.876 53.050 0.067 0.000 0.852 327 N CB -0.246 38.288 38.487 0.078 0.000 0.998 327 N HN 0.240 nan 8.380 nan 0.000 0.427 328 L N 0.877 122.139 121.223 0.065 0.000 2.127 328 L HA -0.137 4.203 4.340 -0.001 0.000 0.211 328 L C 2.313 179.199 176.870 0.026 0.000 1.089 328 L CA 0.960 55.836 54.840 0.060 0.000 0.757 328 L CB -0.402 41.718 42.059 0.102 0.000 0.899 328 L HN 0.126 nan 8.230 nan 0.000 0.434 329 A N 0.030 122.866 122.820 0.027 0.000 1.858 329 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 329 A C 2.541 180.125 177.584 -0.000 0.000 1.190 329 A CA 1.708 53.754 52.037 0.015 0.000 0.617 329 A CB -0.818 18.196 19.000 0.024 0.000 0.827 329 A HN 0.388 nan 8.150 nan 0.000 0.443 330 A N -0.187 122.640 122.820 0.012 0.000 1.978 330 A HA 0.105 4.425 4.320 -0.001 0.000 0.220 330 A C 2.462 180.012 177.584 -0.057 0.000 1.170 330 A CA 2.185 54.234 52.037 0.020 0.000 0.636 330 A CB -0.984 18.053 19.000 0.062 0.000 0.810 330 A HN 1.114 nan 8.150 nan 0.000 0.448 331 A N -0.118 122.600 122.820 -0.169 0.000 1.908 331 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 331 A C 1.908 179.197 177.584 -0.493 0.000 1.181 331 A CA 1.694 53.366 52.037 -0.608 0.000 0.627 331 A CB -0.485 18.208 19.000 -0.512 0.000 0.818 331 A HN 0.653 nan 8.150 nan 0.000 0.445 332 E N 0.091 120.172 120.200 -0.198 0.000 2.285 332 E HA -0.015 4.334 4.350 -0.001 0.000 0.194 332 E C 0.248 176.841 176.600 -0.011 0.000 0.997 332 E CA -0.093 56.250 56.400 -0.095 0.000 0.845 332 E CB 0.029 29.701 29.700 -0.046 0.000 0.782 332 E HN 0.703 nan 8.360 nan 0.000 0.491 333 E N 0.590 120.797 120.200 0.011 0.000 2.438 333 E HA 0.103 4.452 4.350 -0.001 0.000 0.261 333 E C 0.447 177.132 176.600 0.141 0.000 1.103 333 E CA -0.136 56.302 56.400 0.064 0.000 0.959 333 E CB 0.543 30.283 29.700 0.067 0.000 0.958 333 E HN 0.113 nan 8.360 nan 0.000 0.447 334 G N 1.454 110.281 108.800 0.045 0.000 2.535 334 G HA2 0.289 4.248 3.960 -0.001 0.000 0.282 334 G HA3 0.289 4.248 3.960 -0.001 0.000 0.282 334 G C -2.308 172.339 174.900 -0.422 0.000 1.350 334 G CA -0.883 44.123 45.100 -0.156 0.000 1.039 334 G HN 0.338 nan 8.290 nan 0.000 0.509 335 P HA 0.266 nan 4.420 nan 0.000 0.275 335 P C -0.431 176.939 177.300 0.117 0.000 1.266 335 P CA -0.280 62.599 63.100 -0.368 0.000 0.793 335 P CB 0.881 32.365 31.700 -0.359 0.000 1.074 336 L N 0.016 121.482 121.223 0.406 0.000 2.334 336 L HA 0.344 4.683 4.340 -0.001 0.000 0.270 336 L C 1.028 178.030 176.870 0.220 0.000 1.018 336 L CA -1.141 53.870 54.840 0.285 0.000 0.811 336 L CB 0.542 42.709 42.059 0.181 0.000 1.271 336 L HN 0.268 nan 8.230 nan 0.000 0.443 337 E N 1.734 122.095 120.200 0.268 0.000 2.437 337 E HA -0.012 4.337 4.350 -0.001 0.000 0.263 337 E C -1.692 174.971 176.600 0.105 0.000 1.030 337 E CA -1.226 55.266 56.400 0.152 0.000 0.934 337 E CB 0.595 30.379 29.700 0.140 0.000 0.943 337 E HN 0.332 nan 8.360 nan 0.000 0.444 338 P HA -0.126 nan 4.420 nan 0.000 0.218 338 P C 0.963 178.296 177.300 0.056 0.000 1.149 338 P CA 1.541 64.677 63.100 0.059 0.000 0.817 338 P CB 0.192 31.928 31.700 0.059 0.000 0.785 339 A N -0.590 122.264 122.820 0.057 0.000 1.972 339 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 339 A C 2.301 179.908 177.584 0.039 0.000 1.169 339 A CA 1.588 53.653 52.037 0.047 0.000 0.635 339 A CB -1.589 17.438 19.000 0.044 0.000 0.810 339 A HN 0.063 nan 8.150 nan 0.000 0.446 340 V N -0.629 119.319 119.914 0.057 0.000 2.379 340 V HA -0.172 3.948 4.120 -0.001 0.000 0.245 340 V C 2.544 178.673 176.094 0.058 0.000 1.044 340 V CA 1.737 64.045 62.300 0.012 0.000 1.036 340 V CB -0.492 31.355 31.823 0.040 0.000 0.664 340 V HN 0.360 nan 8.190 nan 0.000 0.453 341 V N 0.361 120.336 119.914 0.101 0.000 2.469 341 V HA -0.263 3.857 4.120 -0.001 0.000 0.251 341 V C 2.238 178.444 176.094 0.187 0.000 1.064 341 V CA 2.098 64.505 62.300 0.179 0.000 1.066 341 V CB -0.705 31.090 31.823 -0.047 0.000 0.667 341 V HN 0.578 nan 8.190 nan 0.000 0.461 342 D N 0.391 120.852 120.400 0.101 0.000 2.144 342 D HA -0.096 4.544 4.640 -0.001 0.000 0.200 342 D C 2.239 178.569 176.300 0.050 0.000 0.978 342 D CA 1.580 55.628 54.000 0.080 0.000 0.833 342 D CB -0.217 40.618 40.800 0.058 0.000 0.961 342 D HN 0.464 nan 8.370 nan 0.000 0.470 343 A N 0.372 123.194 122.820 0.004 0.000 1.898 343 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 343 A C 2.029 179.563 177.584 -0.083 0.000 1.181 343 A CA 0.800 52.794 52.037 -0.072 0.000 0.620 343 A CB -0.911 17.994 19.000 -0.158 0.000 0.819 343 A HN 0.078 nan 8.150 nan 0.000 0.442 344 F N 0.510 120.420 119.950 -0.067 0.000 2.091 344 F HA -0.217 4.310 4.527 -0.001 0.000 0.299 344 F C 2.244 177.968 175.800 -0.127 0.000 1.103 344 F CA 1.822 59.729 58.000 -0.155 0.000 1.228 344 F CB -0.803 38.045 39.000 -0.255 0.000 0.984 344 F HN 0.298 nan 8.300 nan 0.000 0.477 345 N N -0.025 118.761 118.700 0.142 0.000 2.104 345 N HA -0.195 4.544 4.740 -0.001 0.000 0.190 345 N C 1.739 177.133 175.510 -0.192 0.000 1.024 345 N CA 1.425 54.476 53.050 0.003 0.000 0.853 345 N CB -0.205 38.300 38.487 0.030 0.000 1.008 345 N HN 0.355 nan 8.380 nan 0.000 0.424 346 Q N -0.808 118.949 119.800 -0.073 0.000 2.170 346 Q HA -0.014 4.325 4.340 -0.001 0.000 0.203 346 Q C 1.953 177.939 176.000 -0.024 0.000 0.976 346 Q CA 1.430 57.215 55.803 -0.031 0.000 0.858 346 Q CB -0.109 28.635 28.738 0.011 0.000 0.907 346 Q HN 0.485 nan 8.270 nan 0.000 0.433 347 A N 0.729 123.538 122.820 -0.019 0.000 1.929 347 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 347 A C 1.730 179.318 177.584 0.006 0.000 1.176 347 A CA 0.782 52.809 52.037 -0.016 0.000 0.628 347 A CB -1.004 17.980 19.000 -0.026 0.000 0.816 347 A HN 0.739 nan 8.150 nan 0.000 0.444 348 W N 0.595 121.804 121.300 -0.152 0.000 2.355 348 W HA -0.237 4.422 4.660 -0.001 0.000 0.309 348 W C 1.762 178.263 176.519 -0.030 0.000 1.206 348 W CA 1.835 59.094 57.345 -0.143 0.000 1.284 348 W CB -0.637 28.715 29.460 -0.180 0.000 1.145 348 W HN 0.626 nan 8.180 nan 0.000 0.502 349 H N 0.306 119.191 119.070 -0.309 0.000 2.457 349 H HA -0.205 4.351 4.556 -0.001 0.000 0.297 349 H C 2.178 177.307 175.328 -0.332 0.000 1.092 349 H CA 1.210 57.006 56.048 -0.420 0.000 1.309 349 H CB -0.062 29.597 29.762 -0.171 0.000 1.382 349 H HN 0.099 nan 8.280 nan 0.000 0.535 350 L N 0.714 121.869 121.223 -0.113 0.000 2.046 350 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 350 L C 2.274 179.033 176.870 -0.186 0.000 1.077 350 L CA 1.365 56.128 54.840 -0.129 0.000 0.747 350 L CB -0.196 41.831 42.059 -0.053 0.000 0.896 350 L HN 0.302 nan 8.230 nan 0.000 0.432 351 V N -4.390 115.369 119.914 -0.259 0.000 3.621 351 V HA 0.368 4.488 4.120 -0.001 0.000 0.285 351 V C 2.114 177.958 176.094 -0.417 0.000 1.346 351 V CA 0.567 62.671 62.300 -0.326 0.000 1.104 351 V CB -0.576 30.952 31.823 -0.492 0.000 0.913 351 V HN 0.232 nan 8.190 nan 0.000 0.432 352 A N 2.042 124.490 122.820 -0.621 0.000 1.940 352 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 352 A C 2.069 179.462 177.584 -0.319 0.000 1.176 352 A CA 2.406 53.932 52.037 -0.852 0.000 0.631 352 A CB -1.108 17.185 19.000 -1.178 0.000 0.814 352 A HN 1.037 nan 8.150 nan 0.000 0.446 353 H N -2.087 116.829 119.070 -0.258 0.000 2.421 353 H HA 0.261 4.816 4.556 -0.001 0.000 0.298 353 H C 1.296 176.597 175.328 -0.045 0.000 1.087 353 H CA 1.584 57.556 56.048 -0.127 0.000 1.330 353 H CB -0.291 29.390 29.762 -0.135 0.000 1.388 353 H HN 0.452 nan 8.280 nan 0.000 0.526 354 E N 1.256 120.975 120.200 -0.801 0.000 2.411 354 E HA 0.261 4.611 4.350 -0.001 0.000 0.204 354 E C -0.131 176.411 176.600 -0.096 0.000 1.059 354 E CA 0.099 56.244 56.400 -0.425 0.000 1.112 354 E CB -0.955 28.457 29.700 -0.480 0.000 1.168 354 E HN 0.627 nan 8.360 nan 0.000 0.445 355 C N 2.717 121.998 119.300 -0.032 0.000 2.527 355 C HA 0.636 5.095 4.460 -0.001 0.000 0.396 355 C C -2.028 173.025 174.990 0.106 0.000 1.289 355 C CA -1.941 57.158 59.018 0.135 0.000 2.047 355 C CB 0.723 28.621 27.740 0.263 0.000 2.568 355 C HN 0.489 nan 8.230 nan 0.000 0.573 356 P HA 0.152 nan 4.420 nan 0.000 0.271 356 P C -0.707 176.597 177.300 0.006 0.000 1.216 356 P CA 0.054 63.148 63.100 -0.010 0.000 0.776 356 P CB 0.453 32.092 31.700 -0.102 0.000 0.881 357 N N 1.427 120.045 118.700 -0.138 0.000 2.492 357 N HA -0.040 4.699 4.740 -0.001 0.000 0.260 357 N C 1.006 176.413 175.510 -0.171 0.000 1.215 357 N CA -0.030 52.835 53.050 -0.309 0.000 0.923 357 N CB -0.090 37.850 38.487 -0.912 0.000 1.092 357 N HN 0.531 nan 8.380 nan 0.000 0.448 358 Y N 0.241 120.553 120.300 0.019 0.000 2.529 358 Y HA 0.237 4.786 4.550 -0.001 0.000 0.290 358 Y C -0.187 175.898 175.900 0.309 0.000 1.177 358 Y CA -0.601 57.626 58.100 0.212 0.000 1.305 358 Y CB -0.519 38.136 38.460 0.325 0.000 1.047 358 Y HN 0.324 nan 8.280 nan 0.000 0.522 359 F N -0.705 119.109 119.950 -0.227 0.000 2.565 359 F HA 0.789 5.316 4.527 -0.000 0.000 0.313 359 F C -0.266 175.471 175.800 -0.105 0.000 1.091 359 F CA -2.067 55.819 58.000 -0.190 0.000 0.915 359 F CB 1.372 40.119 39.000 -0.421 0.000 1.208 359 F HN -0.327 nan 8.300 nan 0.000 0.453 360 R N 0.000 120.520 120.500 0.034 0.000 2.786 360 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 360 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 360 R CB 0.000 30.256 30.300 -0.074 0.000 0.687 360 R HN 0.000 nan 8.270 nan 0.000 0.535