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_A 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 0.000 176.325 176.300 0.041 0.000 0.893 38 R CA 0.000 56.103 56.100 0.004 0.000 0.921 38 R CB 0.000 30.290 30.300 -0.016 0.000 0.687 39 P HA 0.320 nan 4.420 nan 0.000 0.268 39 P C -0.451 176.935 177.300 0.143 0.000 1.204 39 P CA 0.183 63.324 63.100 0.069 0.000 0.768 39 P CB 1.089 32.781 31.700 -0.013 0.000 0.842 40 A N 3.395 126.269 122.820 0.089 0.000 2.409 40 A HA 0.422 4.742 4.320 -0.000 0.000 0.246 40 A C 0.268 177.909 177.584 0.094 0.000 1.099 40 A CA 0.235 52.329 52.037 0.095 0.000 0.789 40 A CB -0.233 18.787 19.000 0.033 0.000 1.053 40 A HN 0.553 nan 8.150 nan 0.000 0.503 41 T N 0.483 115.087 114.554 0.083 0.000 2.841 41 T HA 0.539 4.888 4.350 -0.000 0.000 0.285 41 T C -0.705 174.031 174.700 0.061 0.000 0.991 41 T CA -0.314 61.792 62.100 0.009 0.000 0.966 41 T CB 1.213 69.931 68.868 -0.250 0.000 0.962 41 T HN 0.511 nan 8.240 nan 0.000 0.438 42 V N 3.569 123.503 119.914 0.033 0.000 2.628 42 V HA 0.514 4.633 4.120 -0.000 0.000 0.306 42 V C -0.420 175.630 176.094 -0.075 0.000 1.045 42 V CA -1.078 61.252 62.300 0.051 0.000 0.905 42 V CB 1.994 33.746 31.823 -0.119 0.000 0.997 42 V HN 0.713 nan 8.190 nan 0.000 0.436 43 L N 3.806 124.791 121.223 -0.398 0.000 2.278 43 L HA 0.638 4.978 4.340 -0.000 0.000 0.287 43 L C 0.815 177.504 176.870 -0.302 0.000 1.072 43 L CA 0.369 54.805 54.840 -0.674 0.000 0.819 43 L CB 0.552 41.774 42.059 -1.395 0.000 1.176 43 L HN 0.792 nan 8.230 nan 0.000 0.435 44 G N 4.447 113.130 108.800 -0.195 0.000 2.396 44 G HA2 0.428 4.388 3.960 -0.000 0.000 0.292 44 G HA3 0.428 4.388 3.960 -0.000 0.000 0.292 44 G C 0.409 175.220 174.900 -0.149 0.000 1.106 44 G CA 0.069 45.092 45.100 -0.128 0.000 1.055 44 G HN 1.019 nan 8.290 nan 0.000 0.424 45 A N 3.502 126.254 122.820 -0.113 0.000 2.532 45 A HA 0.270 4.590 4.320 -0.000 0.000 0.273 45 A C 1.621 179.121 177.584 -0.140 0.000 1.342 45 A CA -0.065 51.916 52.037 -0.094 0.000 0.929 45 A CB -0.162 18.824 19.000 -0.024 0.000 1.051 45 A HN 0.739 nan 8.150 nan 0.000 0.521 46 M N -1.029 118.372 119.600 -0.332 0.000 2.200 46 M HA -0.042 4.438 4.480 -0.000 0.000 0.265 46 M C 1.507 177.596 176.300 -0.351 0.000 1.066 46 M CA 1.691 56.590 55.300 -0.669 0.000 1.127 46 M CB 0.153 32.206 32.600 -0.912 0.000 1.379 46 M HN 0.346 nan 8.290 nan 0.000 0.420 47 E N 0.155 120.221 120.200 -0.223 0.000 2.502 47 E HA 0.122 4.472 4.350 -0.000 0.000 0.194 47 E C -0.211 176.340 176.600 -0.081 0.000 1.062 47 E CA 0.137 56.456 56.400 -0.135 0.000 0.867 47 E CB -0.097 29.540 29.700 -0.105 0.000 0.888 47 E HN 0.468 nan 8.360 nan 0.000 0.510 48 M N -0.349 119.206 119.600 -0.075 0.000 2.251 48 M HA 0.193 4.673 4.480 -0.000 0.000 0.346 48 M C 1.048 177.335 176.300 -0.022 0.000 1.499 48 M CA 0.817 56.094 55.300 -0.038 0.000 1.128 48 M CB 0.763 33.346 32.600 -0.029 0.000 1.809 48 M HN 0.285 nan 8.290 nan 0.000 0.464 49 G N 2.483 111.273 108.800 -0.016 0.000 2.258 49 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.233 49 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.233 49 G C 0.789 175.683 174.900 -0.011 0.000 1.006 49 G CA 0.565 45.659 45.100 -0.010 0.000 0.620 49 G HN 0.657 nan 8.290 nan 0.000 0.511 50 R N -0.041 120.448 120.500 -0.018 0.000 1.921 50 R HA 0.477 4.817 4.340 -0.000 0.000 0.190 50 R C 2.430 178.724 176.300 -0.009 0.000 1.595 50 R CA 0.717 56.810 56.100 -0.012 0.000 1.236 50 R CB -0.128 30.160 30.300 -0.020 0.000 1.010 50 R HN 0.189 nan 8.270 nan 0.000 0.482 51 R N -0.565 119.926 120.500 -0.016 0.000 2.161 51 R HA 0.232 4.572 4.340 -0.000 0.000 0.213 51 R C 0.036 176.333 176.300 -0.005 0.000 1.055 51 R CA 0.685 56.781 56.100 -0.006 0.000 0.996 51 R CB 0.267 30.564 30.300 -0.006 0.000 0.901 51 R HN 0.239 nan 8.270 nan 0.000 0.456 52 M N 1.855 121.447 119.600 -0.012 0.000 2.205 52 M HA 0.153 4.633 4.480 -0.000 0.000 0.344 52 M C -0.759 175.538 176.300 -0.006 0.000 1.085 52 M CA -1.054 54.241 55.300 -0.008 0.000 1.001 52 M CB 1.695 34.287 32.600 -0.013 0.000 1.626 52 M HN 0.003 nan 8.290 nan 0.000 0.442 53 D N 2.608 123.008 120.400 -0.001 0.000 2.393 53 D HA 0.237 4.877 4.640 -0.000 0.000 0.246 53 D C 1.003 177.304 176.300 0.002 0.000 1.275 53 D CA -0.336 53.664 54.000 0.000 0.000 0.979 53 D CB 0.376 41.178 40.800 0.003 0.000 1.101 53 D HN 0.598 nan 8.370 nan 0.000 0.505 54 A N -0.087 122.735 122.820 0.003 0.000 1.865 54 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 54 A C -0.291 177.298 177.584 0.009 0.000 1.191 54 A CA 1.880 53.920 52.037 0.006 0.000 0.623 54 A CB -1.915 17.088 19.000 0.006 0.000 0.826 54 A HN 0.572 nan 8.150 nan 0.000 0.444 55 P HA -0.131 nan 4.420 nan 0.000 0.214 55 P C 1.517 178.825 177.300 0.013 0.000 1.163 55 P CA 2.078 65.185 63.100 0.012 0.000 0.889 55 P CB -0.376 31.331 31.700 0.011 0.000 0.790 56 T N -1.279 113.282 114.554 0.011 0.000 2.759 56 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 56 T C 2.260 176.967 174.700 0.011 0.000 1.042 56 T CA 1.992 64.100 62.100 0.012 0.000 1.140 56 T CB -1.219 67.654 68.868 0.008 0.000 0.864 56 T HN 0.215 nan 8.240 nan 0.000 0.455 57 S N 1.111 116.815 115.700 0.007 0.000 2.368 57 S HA 0.246 4.716 4.470 -0.000 0.000 0.224 57 S C 2.385 176.993 174.600 0.013 0.000 1.029 57 S CA 1.402 59.603 58.200 0.002 0.000 0.988 57 S CB -0.645 62.553 63.200 -0.003 0.000 0.838 57 S HN 0.497 nan 8.310 nan 0.000 0.462 58 A N 1.328 124.159 122.820 0.019 0.000 1.902 58 A HA 0.313 4.633 4.320 -0.000 0.000 0.217 58 A C 2.608 180.215 177.584 0.037 0.000 1.181 58 A CA 1.983 54.037 52.037 0.028 0.000 0.623 58 A CB -1.075 17.941 19.000 0.025 0.000 0.818 58 A HN 0.979 nan 8.150 nan 0.000 0.443 59 A N -0.639 122.201 122.820 0.033 0.000 1.908 59 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 59 A C 2.246 179.862 177.584 0.053 0.000 1.181 59 A CA 1.848 53.908 52.037 0.039 0.000 0.627 59 A CB -0.953 18.065 19.000 0.031 0.000 0.818 59 A HN 0.388 nan 8.150 nan 0.000 0.445 60 V N -0.202 119.740 119.914 0.047 0.000 2.343 60 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 60 V C 2.766 178.918 176.094 0.097 0.000 1.051 60 V CA 2.468 64.803 62.300 0.059 0.000 1.036 60 V CB -1.077 30.761 31.823 0.024 0.000 0.654 60 V HN 0.643 nan 8.190 nan 0.000 0.451 61 T N -0.005 114.595 114.554 0.076 0.000 2.746 61 T HA -0.189 4.160 4.350 -0.000 0.000 0.267 61 T C 2.336 177.142 174.700 0.176 0.000 1.039 61 T CA 1.992 64.165 62.100 0.120 0.000 1.142 61 T CB -0.442 68.471 68.868 0.074 0.000 0.866 61 T HN 0.638 nan 8.240 nan 0.000 0.444 62 R N 1.311 121.881 120.500 0.117 0.000 2.083 62 R HA 0.208 4.548 4.340 -0.000 0.000 0.237 62 R C 2.696 179.062 176.300 0.110 0.000 1.137 62 R CA 1.962 58.121 56.100 0.099 0.000 0.951 62 R CB -1.554 28.785 30.300 0.065 0.000 0.851 62 R HN 0.532 nan 8.270 nan 0.000 0.434 63 A N 0.003 122.895 122.820 0.120 0.000 1.877 63 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 63 A C 2.264 179.947 177.584 0.164 0.000 1.186 63 A CA 1.594 53.702 52.037 0.118 0.000 0.620 63 A CB -0.655 18.412 19.000 0.112 0.000 0.822 63 A HN 0.707 nan 8.150 nan 0.000 0.443 64 F N 0.678 120.669 119.950 0.067 0.000 2.095 64 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 64 F C 1.894 177.772 175.800 0.130 0.000 1.104 64 F CA 1.971 60.035 58.000 0.107 0.000 1.232 64 F CB -0.290 38.755 39.000 0.076 0.000 0.987 64 F HN 0.141 nan 8.300 nan 0.000 0.475 65 L N 0.238 121.532 121.223 0.117 0.000 2.156 65 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 65 L C 2.731 179.555 176.870 -0.075 0.000 1.095 65 L CA 1.361 56.189 54.840 -0.019 0.000 0.770 65 L CB -1.551 40.570 42.059 0.105 0.000 0.914 65 L HN 0.311 nan 8.230 nan 0.000 0.439 66 E N 0.360 120.546 120.200 -0.022 0.000 2.515 66 E HA -0.128 4.222 4.350 -0.000 0.000 0.201 66 E C 1.891 178.442 176.600 -0.081 0.000 1.071 66 E CA 0.573 56.951 56.400 -0.037 0.000 0.880 66 E CB -0.443 29.257 29.700 -0.000 0.000 0.828 66 E HN 0.310 nan 8.360 nan 0.000 0.540 67 R N -1.131 119.288 120.500 -0.135 0.000 2.388 67 R HA 0.246 4.586 4.340 -0.000 0.000 0.247 67 R C 1.514 177.544 176.300 -0.450 0.000 0.931 67 R CA 0.457 56.425 56.100 -0.221 0.000 1.082 67 R CB 0.147 30.370 30.300 -0.128 0.000 1.135 67 R HN 0.590 nan 8.270 nan 0.000 0.525 68 G N 1.127 109.711 108.800 -0.360 0.000 2.179 68 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.260 68 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.260 68 G C 0.226 174.871 174.900 -0.425 0.000 0.977 68 G CA 0.146 45.038 45.100 -0.346 0.000 0.641 68 G HN 0.398 nan 8.290 nan 0.000 0.533 69 H N -0.541 118.290 119.070 -0.398 0.000 2.597 69 H HA 0.529 5.085 4.556 -0.000 0.000 0.370 69 H C 1.160 176.289 175.328 -0.332 0.000 1.281 69 H CA 0.933 56.681 56.048 -0.500 0.000 1.422 69 H CB 1.492 30.598 29.762 -1.093 0.000 1.524 69 H HN 0.170 nan 8.280 nan 0.000 0.607 70 T N -0.741 113.863 114.554 0.084 0.000 3.048 70 T HA 0.028 4.378 4.350 -0.000 0.000 0.254 70 T C 0.225 175.101 174.700 0.293 0.000 0.942 70 T CA -0.048 62.152 62.100 0.167 0.000 0.931 70 T CB 0.490 69.420 68.868 0.104 0.000 1.220 70 T HN 0.599 nan 8.240 nan 0.000 0.503 71 E N 0.728 121.144 120.200 0.360 0.000 2.207 71 E HA 0.623 4.973 4.350 -0.000 0.000 0.270 71 E C -1.340 175.385 176.600 0.208 0.000 0.927 71 E CA -0.689 55.866 56.400 0.258 0.000 0.799 71 E CB 1.319 31.137 29.700 0.197 0.000 1.172 71 E HN 0.375 nan 8.360 nan 0.000 0.404 72 I N 2.647 123.286 120.570 0.114 0.000 2.498 72 I HA 0.252 4.421 4.170 -0.000 0.000 0.290 72 I C -1.019 175.131 176.117 0.056 0.000 1.032 72 I CA -0.871 60.428 61.300 -0.002 0.000 1.073 72 I CB 2.101 40.091 38.000 -0.018 0.000 1.251 72 I HN 0.534 nan 8.210 nan 0.000 0.426 73 D N 3.933 124.350 120.400 0.027 0.000 2.349 73 D HA 0.494 5.134 4.640 -0.000 0.000 0.232 73 D C -0.538 175.822 176.300 0.100 0.000 1.071 73 D CA 0.053 54.104 54.000 0.085 0.000 0.832 73 D CB 1.477 42.319 40.800 0.070 0.000 1.086 73 D HN 0.526 nan 8.370 nan 0.000 0.504 74 T N 1.719 116.350 114.554 0.129 0.000 2.693 74 T HA 0.883 5.233 4.350 -0.000 0.000 0.278 74 T C -1.696 173.009 174.700 0.007 0.000 0.994 74 T CA -0.343 61.878 62.100 0.201 0.000 1.033 74 T CB 1.147 70.102 68.868 0.145 0.000 1.342 74 T HN 0.522 nan 8.240 nan 0.000 0.538 75 A N 0.073 122.791 122.820 -0.170 0.000 2.604 75 A HA 0.600 4.920 4.320 -0.000 0.000 0.295 75 A C 0.016 177.499 177.584 -0.169 0.000 1.067 75 A CA -0.553 51.236 52.037 -0.414 0.000 0.683 75 A CB 0.421 18.695 19.000 -1.209 0.000 1.281 75 A HN 0.871 nan 8.150 nan 0.000 0.407 76 F N 1.781 121.655 119.950 -0.126 0.000 2.147 76 F HA -0.142 4.385 4.527 -0.000 0.000 0.301 76 F C 1.570 177.347 175.800 -0.038 0.000 1.084 76 F CA 2.984 60.967 58.000 -0.029 0.000 1.268 76 F CB 0.225 39.245 39.000 0.034 0.000 1.009 76 F HN 0.323 nan 8.300 nan 0.000 0.486 77 V N -0.441 119.402 119.914 -0.119 0.000 3.471 77 V HA 0.021 4.141 4.120 -0.000 0.000 0.258 77 V C 0.288 176.355 176.094 -0.046 0.000 1.192 77 V CA -0.044 62.175 62.300 -0.136 0.000 1.116 77 V CB -0.619 31.248 31.823 0.074 0.000 0.792 77 V HN 0.169 nan 8.190 nan 0.000 0.459 78 Y N 1.550 121.815 120.300 -0.058 0.000 2.620 78 Y HA 0.094 4.644 4.550 -0.000 0.000 0.330 78 Y C 1.481 177.333 175.900 -0.081 0.000 1.186 78 Y CA 0.291 58.353 58.100 -0.063 0.000 1.467 78 Y CB 0.381 38.812 38.460 -0.049 0.000 1.262 78 Y HN 0.469 nan 8.280 nan 0.000 0.550 79 S N 0.900 116.662 115.700 0.103 0.000 3.378 79 S HA -0.313 4.156 4.470 -0.000 0.000 0.365 79 S C 0.388 174.973 174.600 -0.024 0.000 0.951 79 S CA 0.661 58.877 58.200 0.027 0.000 1.274 79 S CB -2.353 60.854 63.200 0.010 0.000 0.915 79 S HN 1.356 nan 8.310 nan 0.000 0.513 80 E N -0.842 119.320 120.200 -0.063 0.000 2.604 80 E HA 0.006 4.356 4.350 -0.000 0.000 0.255 80 E C 1.554 178.049 176.600 -0.176 0.000 1.164 80 E CA 1.772 58.088 56.400 -0.139 0.000 0.737 80 E CB -2.537 27.099 29.700 -0.105 0.000 1.317 80 E HN 2.802 nan 8.360 nan 0.000 0.417 81 G N -3.864 104.829 108.800 -0.178 0.000 2.195 81 G HA2 0.009 3.969 3.960 -0.000 0.000 0.246 81 G HA3 0.009 3.969 3.960 -0.000 0.000 0.246 81 G C 1.365 176.221 174.900 -0.073 0.000 0.984 81 G CA 1.495 46.490 45.100 -0.175 0.000 0.633 81 G HN 2.106 nan 8.290 nan 0.000 0.525 82 Q N 0.198 119.971 119.800 -0.046 0.000 2.224 82 Q HA 0.250 4.590 4.340 -0.000 0.000 0.203 82 Q C 2.731 178.731 176.000 -0.001 0.000 0.970 82 Q CA 2.461 58.252 55.803 -0.020 0.000 0.865 82 Q CB -0.652 28.075 28.738 -0.018 0.000 0.922 82 Q HN 1.388 nan 8.270 nan 0.000 0.445 83 S N 0.257 115.967 115.700 0.017 0.000 2.344 83 S HA -0.223 4.247 4.470 -0.000 0.000 0.217 83 S C 1.973 176.596 174.600 0.038 0.000 1.033 83 S CA 1.647 59.870 58.200 0.039 0.000 1.017 83 S CB -0.272 62.988 63.200 0.100 0.000 0.941 83 S HN 0.772 nan 8.310 nan 0.000 0.430 84 E N -0.220 120.004 120.200 0.041 0.000 2.118 84 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 84 E C 2.145 178.763 176.600 0.032 0.000 0.992 84 E CA 1.709 58.135 56.400 0.043 0.000 0.804 84 E CB -0.333 29.395 29.700 0.045 0.000 0.741 84 E HN 0.593 nan 8.360 nan 0.000 0.458 85 T N 1.133 115.697 114.554 0.017 0.000 2.857 85 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 85 T C 1.980 176.690 174.700 0.016 0.000 1.048 85 T CA 0.624 62.732 62.100 0.014 0.000 1.139 85 T CB -0.096 68.774 68.868 0.003 0.000 0.874 85 T HN 0.102 nan 8.240 nan 0.000 0.455 86 I N 0.914 121.493 120.570 0.014 0.000 2.113 86 I HA -0.160 4.010 4.170 -0.000 0.000 0.238 86 I C 2.320 178.449 176.117 0.020 0.000 1.070 86 I CA 1.372 62.680 61.300 0.014 0.000 1.332 86 I CB -0.401 37.605 38.000 0.010 0.000 1.044 86 I HN 0.188 nan 8.210 nan 0.000 0.402 87 L N 0.345 121.582 121.223 0.024 0.000 2.042 87 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 87 L C 2.633 179.523 176.870 0.034 0.000 1.076 87 L CA 1.615 56.473 54.840 0.030 0.000 0.749 87 L CB -1.260 40.820 42.059 0.035 0.000 0.893 87 L HN 0.360 nan 8.230 nan 0.000 0.432 88 G N -0.513 108.307 108.800 0.033 0.000 2.470 88 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.220 88 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.220 88 G C 1.326 176.243 174.900 0.028 0.000 1.121 88 G CA 0.699 45.819 45.100 0.033 0.000 0.766 88 G HN 0.511 nan 8.290 nan 0.000 0.553 89 G N -0.134 108.680 108.800 0.024 0.000 3.434 89 G HA2 0.335 4.295 3.960 -0.000 0.000 0.258 89 G HA3 0.335 4.295 3.960 -0.000 0.000 0.258 89 G C 1.025 175.939 174.900 0.022 0.000 1.128 89 G CA -0.375 44.738 45.100 0.021 0.000 0.792 89 G HN 0.376 nan 8.290 nan 0.000 0.539 90 L N 0.477 121.716 121.223 0.027 0.000 2.611 90 L HA 0.240 4.580 4.340 -0.000 0.000 0.229 90 L C 1.783 178.672 176.870 0.031 0.000 1.137 90 L CA 0.180 55.038 54.840 0.030 0.000 0.901 90 L CB 0.116 42.196 42.059 0.035 0.000 1.098 90 L HN 0.273 nan 8.230 nan 0.000 0.456 91 G N 1.025 109.842 108.800 0.028 0.000 2.356 91 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.296 91 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.296 91 G C 0.624 175.542 174.900 0.031 0.000 1.022 91 G CA 0.228 45.344 45.100 0.027 0.000 0.961 91 G HN 0.418 nan 8.290 nan 0.000 0.510 92 L N -0.881 120.364 121.223 0.036 0.000 2.612 92 L HA 0.288 4.628 4.340 -0.000 0.000 0.230 92 L C 2.218 179.111 176.870 0.039 0.000 1.140 92 L CA 0.372 55.237 54.840 0.042 0.000 0.896 92 L CB -0.416 41.675 42.059 0.053 0.000 1.065 92 L HN 0.757 nan 8.230 nan 0.000 0.447 93 R N 0.572 121.091 120.500 0.032 0.000 3.301 93 R HA -0.204 4.136 4.340 -0.000 0.000 0.249 93 R C 0.113 176.432 176.300 0.032 0.000 0.964 93 R CA 1.101 57.217 56.100 0.028 0.000 0.653 93 R CB -3.409 26.906 30.300 0.024 0.000 1.043 93 R HN 0.370 nan 8.270 nan 0.000 0.454 94 L N -0.385 120.861 121.223 0.037 0.000 2.499 94 L HA 0.384 4.724 4.340 -0.000 0.000 0.281 94 L C 2.183 179.075 176.870 0.038 0.000 1.234 94 L CA 1.633 56.500 54.840 0.044 0.000 0.839 94 L CB 0.590 42.679 42.059 0.050 0.000 1.104 94 L HN 1.020 nan 8.230 nan 0.000 0.500 95 G N 1.201 110.027 108.800 0.043 0.000 2.220 95 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.269 95 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.269 95 G C 0.610 175.524 174.900 0.023 0.000 0.977 95 G CA 0.132 45.252 45.100 0.035 0.000 0.634 95 G HN 1.089 nan 8.290 nan 0.000 0.539 96 G N -0.606 108.208 108.800 0.023 0.000 2.616 96 G HA2 0.515 4.475 3.960 -0.000 0.000 0.268 96 G HA3 0.515 4.475 3.960 -0.000 0.000 0.268 96 G C 1.099 176.009 174.900 0.017 0.000 1.213 96 G CA 0.883 45.992 45.100 0.016 0.000 0.926 96 G HN 0.586 nan 8.290 nan 0.000 0.523 97 S N -0.479 115.228 115.700 0.011 0.000 2.388 97 S HA 0.049 4.519 4.470 -0.000 0.000 0.223 97 S C 1.688 176.297 174.600 0.015 0.000 1.034 97 S CA 1.009 59.216 58.200 0.012 0.000 0.963 97 S CB -0.282 62.921 63.200 0.006 0.000 0.827 97 S HN 0.896 nan 8.310 nan 0.000 0.481 98 D N 0.812 121.220 120.400 0.013 0.000 2.671 98 D HA 0.425 5.064 4.640 -0.000 0.000 0.228 98 D C -0.356 175.956 176.300 0.021 0.000 1.102 98 D CA 0.008 54.017 54.000 0.015 0.000 1.044 98 D CB -0.783 40.024 40.800 0.012 0.000 1.113 98 D HN 0.411 nan 8.370 nan 0.000 0.480 99 C N 0.392 119.707 119.300 0.025 0.000 2.817 99 C HA 0.731 5.191 4.460 -0.000 0.000 0.385 99 C C 1.433 176.447 174.990 0.039 0.000 1.050 99 C CA 0.293 59.331 59.018 0.034 0.000 1.245 99 C CB 0.571 28.333 27.740 0.037 0.000 1.706 99 C HN 0.728 nan 8.230 nan 0.000 0.488 100 R N 2.919 123.445 120.500 0.042 0.000 2.127 100 R HA 0.352 4.692 4.340 -0.000 0.000 0.217 100 R C 0.645 176.984 176.300 0.065 0.000 1.074 100 R CA 1.670 57.797 56.100 0.045 0.000 0.991 100 R CB -0.624 29.697 30.300 0.035 0.000 0.895 100 R HN 0.761 nan 8.270 nan 0.000 0.450 101 V N 2.188 122.149 119.914 0.077 0.000 2.583 101 V HA 0.233 4.353 4.120 -0.000 0.000 0.287 101 V C -0.145 176.012 176.094 0.105 0.000 1.051 101 V CA -0.550 61.814 62.300 0.107 0.000 1.010 101 V CB 1.619 33.512 31.823 0.117 0.000 0.988 101 V HN 0.413 nan 8.190 nan 0.000 0.478 102 K N 4.384 124.859 120.400 0.126 0.000 2.138 102 K HA 0.624 4.943 4.320 -0.000 0.000 0.263 102 K C -0.617 176.061 176.600 0.130 0.000 0.965 102 K CA -0.587 55.773 56.287 0.123 0.000 0.868 102 K CB 2.004 34.584 32.500 0.134 0.000 1.083 102 K HN 0.548 nan 8.250 nan 0.000 0.443 103 I N 1.757 122.398 120.570 0.118 0.000 2.509 103 I HA 0.445 4.615 4.170 -0.000 0.000 0.293 103 I C -1.390 174.806 176.117 0.132 0.000 1.020 103 I CA -0.804 60.566 61.300 0.117 0.000 1.088 103 I CB 1.935 39.993 38.000 0.098 0.000 1.267 103 I HN 0.613 nan 8.210 nan 0.000 0.430 104 D N 4.743 125.233 120.400 0.151 0.000 2.505 104 D HA 0.587 5.227 4.640 -0.000 0.000 0.249 104 D C -0.542 175.867 176.300 0.183 0.000 1.082 104 D CA -0.173 53.940 54.000 0.189 0.000 0.839 104 D CB 2.059 43.040 40.800 0.301 0.000 1.317 104 D HN 0.495 nan 8.370 nan 0.000 0.497 105 T N 0.513 115.186 114.554 0.198 0.000 2.804 105 T HA 0.726 5.075 4.350 -0.000 0.000 0.290 105 T C -1.465 173.326 174.700 0.152 0.000 1.099 105 T CA -0.665 61.533 62.100 0.163 0.000 1.011 105 T CB 1.236 70.213 68.868 0.182 0.000 1.291 105 T HN 0.292 nan 8.240 nan 0.000 0.523 106 K N 0.249 120.675 120.400 0.043 0.000 2.512 106 K HA 0.794 5.114 4.320 -0.000 0.000 0.263 106 K C -1.550 175.055 176.600 0.008 0.000 0.966 106 K CA -1.188 55.026 56.287 -0.122 0.000 0.851 106 K CB 2.216 34.507 32.500 -0.348 0.000 1.395 106 K HN 0.629 nan 8.250 nan 0.000 0.440 107 A N 2.155 124.900 122.820 -0.126 0.000 2.355 107 A HA 0.734 5.054 4.320 -0.000 0.000 0.317 107 A C -0.360 177.212 177.584 -0.019 0.000 1.094 107 A CA -0.891 51.124 52.037 -0.037 0.000 0.764 107 A CB 0.415 19.407 19.000 -0.014 0.000 1.230 107 A HN 0.763 nan 8.150 nan 0.000 0.448 108 I N 0.122 120.698 120.570 0.010 0.000 2.750 108 I HA 0.725 4.895 4.170 -0.000 0.000 0.308 108 I C -2.412 173.664 176.117 -0.068 0.000 1.016 108 I CA -2.788 58.484 61.300 -0.046 0.000 1.098 108 I CB 2.749 40.681 38.000 -0.113 0.000 1.279 108 I HN 0.329 nan 8.210 nan 0.000 0.454 109 P HA 0.378 nan 4.420 nan 0.000 0.257 109 P C -0.501 176.678 177.300 -0.201 0.000 1.737 109 P CA -0.017 63.005 63.100 -0.129 0.000 1.130 109 P CB 0.348 31.963 31.700 -0.141 0.000 1.572 110 L N -0.463 120.576 121.223 -0.307 0.000 2.365 110 L HA 0.472 4.812 4.340 -0.000 0.000 0.267 110 L C 0.900 177.451 176.870 -0.532 0.000 1.033 110 L CA -0.829 53.607 54.840 -0.674 0.000 0.802 110 L CB 0.154 41.413 42.059 -1.334 0.000 1.267 110 L HN 0.021 nan 8.230 nan 0.000 0.457 111 F N -0.617 119.349 119.950 0.027 0.000 2.182 111 F HA -0.304 4.223 4.527 -0.000 0.000 0.318 111 F C 1.639 177.450 175.800 0.017 0.000 0.130 111 F CA 0.748 58.766 58.000 0.031 0.000 0.911 111 F CB -1.609 37.425 39.000 0.056 0.000 4.132 111 F HN 0.617 nan 8.300 nan 0.000 0.139 112 G N 0.698 109.638 108.800 0.234 0.000 2.501 112 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.220 112 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.220 112 G C 0.327 175.267 174.900 0.066 0.000 1.114 112 G CA 0.965 46.128 45.100 0.104 0.000 0.757 112 G HN 0.495 nan 8.290 nan 0.000 0.559 113 N N 0.344 119.100 118.700 0.095 0.000 2.508 113 N HA 0.383 5.123 4.740 -0.000 0.000 0.285 113 N C -0.026 175.482 175.510 -0.003 0.000 1.144 113 N CA 0.129 53.206 53.050 0.045 0.000 0.978 113 N CB 1.704 40.237 38.487 0.077 0.000 1.180 113 N HN 0.293 nan 8.380 nan 0.000 0.484 114 S N -0.217 115.478 115.700 -0.010 0.000 2.810 114 S HA 0.511 4.980 4.470 -0.000 0.000 0.315 114 S C 0.318 174.904 174.600 -0.024 0.000 1.138 114 S CA -0.832 57.354 58.200 -0.022 0.000 0.889 114 S CB 0.962 64.158 63.200 -0.006 0.000 1.236 114 S HN 0.433 nan 8.310 nan 0.000 0.548 115 L N 0.244 121.451 121.223 -0.026 0.000 2.872 115 L HA 0.330 4.670 4.340 -0.000 0.000 0.245 115 L C 0.406 177.275 176.870 -0.003 0.000 1.211 115 L CA -0.198 54.632 54.840 -0.017 0.000 1.013 115 L CB -0.307 41.737 42.059 -0.025 0.000 1.326 115 L HN 0.547 nan 8.230 nan 0.000 0.525 116 K N 0.833 121.236 120.400 0.004 0.000 2.276 116 K HA 0.074 4.393 4.320 -0.000 0.000 0.259 116 K C -1.408 175.200 176.600 0.014 0.000 1.001 116 K CA -1.431 54.862 56.287 0.010 0.000 0.927 116 K CB 0.572 33.084 32.500 0.019 0.000 0.969 116 K HN -0.234 nan 8.250 nan 0.000 0.490 117 P HA -0.211 nan 4.420 nan 0.000 0.216 117 P C 0.318 177.616 177.300 -0.004 0.000 1.157 117 P CA 1.438 64.531 63.100 -0.011 0.000 0.880 117 P CB 0.210 31.895 31.700 -0.025 0.000 0.791 118 D N -1.362 119.052 120.400 0.024 0.000 2.084 118 D HA -0.129 4.510 4.640 -0.000 0.000 0.194 118 D C 2.183 178.587 176.300 0.173 0.000 0.990 118 D CA 1.417 55.450 54.000 0.054 0.000 0.826 118 D CB -1.050 39.825 40.800 0.126 0.000 0.971 118 D HN 0.038 nan 8.370 nan 0.000 0.453 119 S N -0.356 115.459 115.700 0.191 0.000 2.370 119 S HA -0.108 4.362 4.470 -0.000 0.000 0.226 119 S C 2.061 176.721 174.600 0.101 0.000 1.033 119 S CA 0.619 58.934 58.200 0.193 0.000 1.011 119 S CB -0.443 62.800 63.200 0.071 0.000 0.852 119 S HN 0.232 nan 8.310 nan 0.000 0.457 120 L N 1.081 122.335 121.223 0.051 0.000 2.043 120 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 120 L C 2.851 179.732 176.870 0.019 0.000 1.075 120 L CA 1.961 56.830 54.840 0.048 0.000 0.752 120 L CB -0.364 41.730 42.059 0.059 0.000 0.891 120 L HN 0.376 nan 8.230 nan 0.000 0.432 121 R N -0.768 119.708 120.500 -0.040 0.000 2.070 121 R HA -0.208 4.132 4.340 -0.000 0.000 0.233 121 R C 2.349 178.577 176.300 -0.121 0.000 1.137 121 R CA 1.902 57.924 56.100 -0.131 0.000 0.945 121 R CB -0.537 29.623 30.300 -0.232 0.000 0.845 121 R HN 0.222 nan 8.270 nan 0.000 0.430 122 F N 1.319 121.223 119.950 -0.076 0.000 2.115 122 F HA -0.318 4.209 4.527 -0.000 0.000 0.300 122 F C 2.710 178.433 175.800 -0.129 0.000 1.092 122 F CA 1.876 59.832 58.000 -0.074 0.000 1.245 122 F CB -0.159 38.804 39.000 -0.063 0.000 0.995 122 F HN 0.229 nan 8.300 nan 0.000 0.481 123 Q N -0.645 119.109 119.800 -0.077 0.000 2.079 123 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 123 Q C 2.190 178.123 176.000 -0.112 0.000 0.974 123 Q CA 1.310 56.840 55.803 -0.455 0.000 0.840 123 Q CB -0.409 27.925 28.738 -0.674 0.000 0.898 123 Q HN 0.366 nan 8.270 nan 0.000 0.430 124 L N 1.328 122.516 121.223 -0.058 0.000 2.044 124 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 124 L C 1.897 178.740 176.870 -0.045 0.000 1.075 124 L CA 1.812 56.594 54.840 -0.097 0.000 0.747 124 L CB -0.415 41.414 42.059 -0.383 0.000 0.903 124 L HN 0.126 nan 8.230 nan 0.000 0.435 125 E N -1.090 119.082 120.200 -0.047 0.000 2.118 125 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 125 E C 1.905 178.538 176.600 0.055 0.000 0.992 125 E CA 1.784 58.173 56.400 -0.019 0.000 0.804 125 E CB -0.184 29.486 29.700 -0.050 0.000 0.741 125 E HN 0.556 nan 8.360 nan 0.000 0.458 126 T N 0.492 115.122 114.554 0.127 0.000 2.737 126 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 126 T C 2.149 176.959 174.700 0.183 0.000 1.038 126 T CA 1.221 63.438 62.100 0.196 0.000 1.144 126 T CB -0.159 68.920 68.868 0.352 0.000 0.866 126 T HN 0.057 nan 8.240 nan 0.000 0.434 127 S N 1.570 117.402 115.700 0.220 0.000 2.374 127 S HA -0.064 4.405 4.470 -0.000 0.000 0.227 127 S C 2.022 176.683 174.600 0.101 0.000 1.037 127 S CA 1.045 59.354 58.200 0.182 0.000 1.024 127 S CB -0.568 62.751 63.200 0.198 0.000 0.861 127 S HN 0.352 nan 8.310 nan 0.000 0.456 128 L N 1.371 122.634 121.223 0.066 0.000 1.994 128 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 128 L C 3.072 179.966 176.870 0.041 0.000 1.071 128 L CA 1.782 56.645 54.840 0.038 0.000 0.745 128 L CB -0.944 41.119 42.059 0.006 0.000 0.892 128 L HN 0.396 nan 8.230 nan 0.000 0.431 129 K N 0.515 120.942 120.400 0.046 0.000 2.152 129 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 129 K C 2.100 178.727 176.600 0.044 0.000 1.048 129 K CA 1.657 57.970 56.287 0.042 0.000 0.933 129 K CB -0.769 31.761 32.500 0.049 0.000 0.721 129 K HN 0.380 nan 8.250 nan 0.000 0.447 130 R N -0.498 120.035 120.500 0.055 0.000 2.062 130 R HA 0.170 4.510 4.340 -0.000 0.000 0.229 130 R C 2.406 178.731 176.300 0.041 0.000 1.128 130 R CA 1.269 57.397 56.100 0.046 0.000 0.960 130 R CB -0.364 29.965 30.300 0.050 0.000 0.855 130 R HN 0.354 nan 8.270 nan 0.000 0.432 131 L N 1.308 122.560 121.223 0.049 0.000 2.551 131 L HA -0.055 4.285 4.340 -0.000 0.000 0.228 131 L C 0.222 177.115 176.870 0.038 0.000 1.153 131 L CA 0.497 55.364 54.840 0.046 0.000 0.851 131 L CB -0.343 41.750 42.059 0.056 0.000 0.959 131 L HN 0.288 nan 8.230 nan 0.000 0.451 132 Q N -0.373 119.446 119.800 0.033 0.000 2.451 132 Q HA -0.234 4.106 4.340 -0.000 0.000 0.305 132 Q C -0.303 175.711 176.000 0.023 0.000 1.345 132 Q CA 0.681 56.499 55.803 0.026 0.000 0.854 132 Q CB -2.120 26.632 28.738 0.024 0.000 1.162 132 Q HN 0.693 nan 8.270 nan 0.000 0.440 133 C N -3.573 115.741 119.300 0.023 0.000 3.173 133 C HA 0.719 5.179 4.460 -0.000 0.000 0.310 133 C C -1.717 173.279 174.990 0.010 0.000 1.306 133 C CA -1.256 57.774 59.018 0.019 0.000 1.426 133 C CB 1.857 29.614 27.740 0.030 0.000 1.800 133 C HN 0.192 nan 8.230 nan 0.000 0.470 134 P HA 0.104 nan 4.420 nan 0.000 0.226 134 P C -0.041 177.247 177.300 -0.019 0.000 1.161 134 P CA 0.951 64.043 63.100 -0.014 0.000 0.804 134 P CB 0.231 31.919 31.700 -0.020 0.000 0.829 135 R N -0.718 119.782 120.500 -0.001 0.000 2.663 135 R HA 0.530 4.869 4.340 -0.000 0.000 0.267 135 R C -1.150 175.178 176.300 0.047 0.000 1.038 135 R CA -0.954 55.152 56.100 0.011 0.000 0.886 135 R CB 1.396 31.692 30.300 -0.007 0.000 1.249 135 R HN -0.180 nan 8.270 nan 0.000 0.463 136 V N -0.711 119.252 119.914 0.082 0.000 2.834 136 V HA 0.391 4.511 4.120 -0.000 0.000 0.313 136 V C 0.193 176.373 176.094 0.143 0.000 1.060 136 V CA -0.501 61.864 62.300 0.109 0.000 0.989 136 V CB 1.850 33.745 31.823 0.120 0.000 1.041 136 V HN 0.914 nan 8.190 nan 0.000 0.459 137 D N 0.684 121.159 120.400 0.126 0.000 2.249 137 D HA 0.146 4.786 4.640 -0.000 0.000 0.205 137 D C 0.005 176.378 176.300 0.122 0.000 0.962 137 D CA 1.148 55.222 54.000 0.123 0.000 0.860 137 D CB 0.860 41.724 40.800 0.108 0.000 0.955 137 D HN 0.392 nan 8.370 nan 0.000 0.505 138 L N 0.061 121.338 121.223 0.090 0.000 2.464 138 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 138 L C -2.008 174.824 176.870 -0.063 0.000 0.965 138 L CA -0.886 53.926 54.840 -0.046 0.000 0.833 138 L CB 2.328 44.295 42.059 -0.154 0.000 1.296 138 L HN -0.254 nan 8.230 nan 0.000 0.405 139 F N 4.994 124.666 119.950 -0.462 0.000 2.577 139 F HA 0.570 5.096 4.527 -0.000 0.000 0.344 139 F C -1.520 173.950 175.800 -0.551 0.000 1.145 139 F CA -0.637 57.047 58.000 -0.525 0.000 0.996 139 F CB 0.821 39.265 39.000 -0.926 0.000 1.248 139 F HN 0.415 nan 8.300 nan 0.000 0.447 140 Y N 5.098 124.951 120.300 -0.746 0.000 2.320 140 Y HA 0.478 5.027 4.550 -0.000 0.000 0.324 140 Y C 0.049 175.428 175.900 -0.868 0.000 1.190 140 Y CA -0.799 56.886 58.100 -0.692 0.000 1.215 140 Y CB 1.146 39.309 38.460 -0.494 0.000 1.221 140 Y HN 0.344 nan 8.280 nan 0.000 0.486 141 L N 3.372 124.351 121.223 -0.407 0.000 2.295 141 L HA 0.158 4.498 4.340 -0.000 0.000 0.288 141 L C 1.179 178.030 176.870 -0.030 0.000 1.079 141 L CA -0.054 54.648 54.840 -0.229 0.000 0.830 141 L CB 0.233 42.219 42.059 -0.121 0.000 1.200 141 L HN 0.874 nan 8.230 nan 0.000 0.438 142 H N 3.720 122.687 119.070 -0.171 0.000 2.387 142 H HA 0.020 4.575 4.556 -0.000 0.000 0.299 142 H C 0.284 175.516 175.328 -0.160 0.000 1.099 142 H CA 1.288 57.217 56.048 -0.197 0.000 1.315 142 H CB 0.376 30.012 29.762 -0.211 0.000 1.380 142 H HN 0.498 nan 8.280 nan 0.000 0.513 143 M N -1.315 118.293 119.600 0.013 0.000 2.603 143 M HA 0.287 4.767 4.480 -0.000 0.000 0.275 143 M C -2.631 173.404 176.300 -0.443 0.000 1.226 143 M CA -2.060 53.115 55.300 -0.209 0.000 0.870 143 M CB 2.803 35.261 32.600 -0.238 0.000 1.716 143 M HN -0.212 nan 8.290 nan 0.000 0.482 144 P HA 0.047 nan 4.420 nan 0.000 0.268 144 P C -1.186 175.727 177.300 -0.646 0.000 1.204 144 P CA 0.192 62.680 63.100 -1.021 0.000 0.768 144 P CB 0.342 31.301 31.700 -1.236 0.000 0.842 145 D N 1.781 121.936 120.400 -0.409 0.000 2.493 145 D HA 0.050 4.690 4.640 -0.000 0.000 0.235 145 D C 0.696 176.882 176.300 -0.190 0.000 1.117 145 D CA -0.292 53.559 54.000 -0.249 0.000 0.930 145 D CB -0.220 40.511 40.800 -0.114 0.000 1.010 145 D HN 0.328 nan 8.370 nan 0.000 0.514 146 H N 0.898 119.928 119.070 -0.066 0.000 2.560 146 H HA -0.057 4.499 4.556 -0.000 0.000 0.283 146 H C 1.528 176.851 175.328 -0.008 0.000 1.028 146 H CA 1.002 57.031 56.048 -0.031 0.000 1.221 146 H CB 0.130 29.875 29.762 -0.028 0.000 1.363 146 H HN 0.358 nan 8.280 nan 0.000 0.594 147 S N -0.810 114.933 115.700 0.071 0.000 2.540 147 S HA 0.091 4.561 4.470 -0.000 0.000 0.218 147 S C 0.626 175.246 174.600 0.034 0.000 0.977 147 S CA -0.426 57.803 58.200 0.049 0.000 0.918 147 S CB 0.424 63.640 63.200 0.027 0.000 0.806 147 S HN 0.029 nan 8.310 nan 0.000 0.496 148 T N 4.349 118.919 114.554 0.027 0.000 2.840 148 T HA 0.521 4.871 4.350 -0.000 0.000 0.287 148 T C -3.065 171.658 174.700 0.040 0.000 0.991 148 T CA -1.303 60.812 62.100 0.026 0.000 0.964 148 T CB 1.660 70.533 68.868 0.009 0.000 0.954 148 T HN 0.009 nan 8.240 nan 0.000 0.438 149 P HA 0.046 nan 4.420 nan 0.000 0.262 149 P C 1.100 178.437 177.300 0.062 0.000 1.182 149 P CA -0.149 62.990 63.100 0.065 0.000 0.761 149 P CB 0.627 32.366 31.700 0.065 0.000 0.795 150 V N 3.632 123.592 119.914 0.077 0.000 2.594 150 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 150 V C 1.961 178.100 176.094 0.075 0.000 1.069 150 V CA 1.857 64.200 62.300 0.071 0.000 1.082 150 V CB -0.715 31.158 31.823 0.083 0.000 0.680 150 V HN 0.570 nan 8.190 nan 0.000 0.469 151 E N -0.288 119.981 120.200 0.114 0.000 2.049 151 E HA -0.298 4.052 4.350 -0.000 0.000 0.198 151 E C 2.169 178.802 176.600 0.055 0.000 1.007 151 E CA 2.028 58.535 56.400 0.177 0.000 0.809 151 E CB -0.143 29.676 29.700 0.198 0.000 0.749 151 E HN 0.733 nan 8.360 nan 0.000 0.450 152 E N -0.325 119.892 120.200 0.028 0.000 2.085 152 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 152 E C 2.160 178.712 176.600 -0.080 0.000 0.994 152 E CA 1.617 58.003 56.400 -0.023 0.000 0.801 152 E CB -0.076 29.627 29.700 0.004 0.000 0.743 152 E HN 0.216 nan 8.360 nan 0.000 0.453 153 T N 1.576 116.099 114.554 -0.052 0.000 2.708 153 T HA -0.131 4.218 4.350 -0.000 0.000 0.266 153 T C 2.015 176.643 174.700 -0.120 0.000 1.037 153 T CA 0.900 62.965 62.100 -0.059 0.000 1.146 153 T CB -0.239 68.614 68.868 -0.024 0.000 0.865 153 T HN 0.074 nan 8.240 nan 0.000 0.435 154 L N 0.460 121.588 121.223 -0.158 0.000 2.017 154 L HA -0.060 4.279 4.340 -0.000 0.000 0.208 154 L C 2.876 179.369 176.870 -0.628 0.000 1.073 154 L CA 1.322 56.024 54.840 -0.231 0.000 0.745 154 L CB -0.530 41.511 42.059 -0.030 0.000 0.894 154 L HN 0.156 nan 8.230 nan 0.000 0.432 155 R N 0.408 120.264 120.500 -1.074 0.000 2.096 155 R HA -0.241 4.099 4.340 -0.000 0.000 0.240 155 R C 2.291 178.299 176.300 -0.487 0.000 1.139 155 R CA 1.760 57.145 56.100 -1.191 0.000 0.952 155 R CB -0.288 29.576 30.300 -0.727 0.000 0.854 155 R HN 0.374 nan 8.270 nan 0.000 0.436 156 A N 0.089 122.744 122.820 -0.276 0.000 1.930 156 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 156 A C 2.478 180.038 177.584 -0.040 0.000 1.175 156 A CA 1.508 53.472 52.037 -0.122 0.000 0.627 156 A CB -0.812 18.145 19.000 -0.072 0.000 0.815 156 A HN 0.602 nan 8.150 nan 0.000 0.443 157 C N -1.786 117.510 119.300 -0.006 0.000 2.429 157 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 157 C C 2.605 177.735 174.990 0.233 0.000 1.262 157 C CA 1.272 60.409 59.018 0.198 0.000 1.733 157 C CB -1.475 26.375 27.740 0.184 0.000 2.010 157 C HN 0.823 nan 8.230 nan 0.000 0.483 158 H N 0.727 119.753 119.070 -0.074 0.000 2.290 158 H HA -0.181 4.375 4.556 -0.000 0.000 0.298 158 H C 2.280 177.584 175.328 -0.039 0.000 1.087 158 H CA 2.307 58.318 56.048 -0.062 0.000 1.291 158 H CB -0.442 29.155 29.762 -0.276 0.000 1.369 158 H HN 0.486 nan 8.280 nan 0.000 0.492 159 Q N -0.349 119.391 119.800 -0.100 0.000 2.181 159 Q HA -0.133 4.206 4.340 -0.000 0.000 0.205 159 Q C 2.289 178.197 176.000 -0.152 0.000 0.980 159 Q CA 1.575 57.297 55.803 -0.136 0.000 0.862 159 Q CB -0.040 28.647 28.738 -0.085 0.000 0.905 159 Q HN 0.532 nan 8.270 nan 0.000 0.429 160 L N -1.113 120.060 121.223 -0.083 0.000 2.179 160 L HA -0.148 4.191 4.340 -0.000 0.000 0.208 160 L C 2.335 179.050 176.870 -0.258 0.000 1.096 160 L CA 1.059 55.849 54.840 -0.084 0.000 0.779 160 L CB -0.357 41.745 42.059 0.072 0.000 0.922 160 L HN 0.344 nan 8.230 nan 0.000 0.443 161 H N -0.121 118.643 119.070 -0.510 0.000 2.357 161 H HA -0.138 4.417 4.556 -0.000 0.000 0.301 161 H C 2.274 177.284 175.328 -0.529 0.000 1.082 161 H CA 1.395 56.918 56.048 -0.875 0.000 1.342 161 H CB 0.194 29.467 29.762 -0.816 0.000 1.389 161 H HN 0.156 nan 8.280 nan 0.000 0.511 162 Q N 0.460 119.953 119.800 -0.511 0.000 2.181 162 Q HA -0.159 4.181 4.340 -0.000 0.000 0.205 162 Q C 1.570 177.360 176.000 -0.351 0.000 0.980 162 Q CA 1.629 57.169 55.803 -0.438 0.000 0.862 162 Q CB -0.052 28.482 28.738 -0.340 0.000 0.905 162 Q HN 0.741 nan 8.270 nan 0.000 0.429 163 E N -0.785 119.227 120.200 -0.314 0.000 2.489 163 E HA 0.136 4.486 4.350 -0.000 0.000 0.193 163 E C 0.653 177.101 176.600 -0.253 0.000 1.057 163 E CA 0.271 56.529 56.400 -0.236 0.000 0.866 163 E CB 0.248 29.839 29.700 -0.182 0.000 0.916 163 E HN 0.462 nan 8.360 nan 0.000 0.500 164 G N 2.168 110.749 108.800 -0.364 0.000 2.176 164 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.252 164 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.252 164 G C 0.872 175.633 174.900 -0.233 0.000 1.024 164 G CA 0.424 45.325 45.100 -0.332 0.000 0.755 164 G HN 0.145 nan 8.290 nan 0.000 0.507 165 K N -1.046 119.215 120.400 -0.232 0.000 2.296 165 K HA 0.217 4.536 4.320 -0.000 0.000 0.200 165 K C 0.858 177.467 176.600 0.015 0.000 1.048 165 K CA 1.338 57.560 56.287 -0.108 0.000 0.966 165 K CB 0.093 32.534 32.500 -0.099 0.000 0.754 165 K HN 0.942 nan 8.250 nan 0.000 0.466 166 F N -4.300 115.592 119.950 -0.097 0.000 2.668 166 F HA 0.310 4.836 4.527 -0.000 0.000 0.309 166 F C 0.525 176.388 175.800 0.105 0.000 1.117 166 F CA -1.205 56.785 58.000 -0.016 0.000 0.951 166 F CB 0.641 39.621 39.000 -0.033 0.000 1.323 166 F HN -0.381 nan 8.300 nan 0.000 0.451 167 V N -0.101 119.992 119.914 0.300 0.000 2.403 167 V HA 0.176 4.296 4.120 -0.000 0.000 0.239 167 V C 0.341 176.605 176.094 0.283 0.000 1.041 167 V CA 0.983 63.413 62.300 0.217 0.000 1.051 167 V CB -0.230 31.679 31.823 0.143 0.000 0.704 167 V HN 0.774 nan 8.190 nan 0.000 0.472 168 E N -0.038 120.361 120.200 0.331 0.000 2.238 168 E HA 0.486 4.836 4.350 -0.000 0.000 0.267 168 E C -1.492 175.206 176.600 0.163 0.000 0.887 168 E CA -0.764 55.745 56.400 0.182 0.000 0.769 168 E CB 2.549 32.264 29.700 0.024 0.000 1.187 168 E HN 0.110 nan 8.360 nan 0.000 0.416 169 L N 1.603 122.865 121.223 0.065 0.000 2.325 169 L HA 0.657 4.997 4.340 -0.000 0.000 0.279 169 L C -0.189 176.488 176.870 -0.323 0.000 1.054 169 L CA 0.172 54.922 54.840 -0.151 0.000 0.804 169 L CB 1.414 43.465 42.059 -0.013 0.000 1.200 169 L HN 0.571 nan 8.230 nan 0.000 0.436 170 G N 4.581 113.074 108.800 -0.512 0.000 2.574 170 G HA2 0.671 4.631 3.960 -0.000 0.000 0.299 170 G HA3 0.671 4.631 3.960 -0.000 0.000 0.299 170 G C -1.793 172.917 174.900 -0.318 0.000 1.298 170 G CA -0.699 44.062 45.100 -0.565 0.000 0.952 170 G HN 0.648 nan 8.290 nan 0.000 0.477 171 L N 0.242 121.354 121.223 -0.185 0.000 2.354 171 L HA 0.809 5.148 4.340 -0.000 0.000 0.264 171 L C -0.120 176.555 176.870 -0.324 0.000 1.008 171 L CA -0.987 53.704 54.840 -0.249 0.000 0.819 171 L CB 2.442 44.286 42.059 -0.359 0.000 1.339 171 L HN 0.575 nan 8.230 nan 0.000 0.420 172 S N 1.018 116.589 115.700 -0.215 0.000 2.546 172 S HA 0.398 4.868 4.470 -0.000 0.000 0.272 172 S C -0.280 174.316 174.600 -0.007 0.000 1.140 172 S CA -0.533 57.449 58.200 -0.363 0.000 0.920 172 S CB 0.955 63.929 63.200 -0.377 0.000 1.083 172 S HN 0.795 nan 8.310 nan 0.000 0.476 173 N N 1.049 119.806 118.700 0.095 0.000 2.753 173 N HA -0.180 4.559 4.740 -0.000 0.000 0.251 173 N C -1.037 174.619 175.510 0.243 0.000 1.097 173 N CA 1.106 54.326 53.050 0.283 0.000 0.786 173 N CB -1.711 36.850 38.487 0.124 0.000 1.137 173 N HN 0.669 nan 8.380 nan 0.000 0.566 174 Y N 0.715 121.160 120.300 0.241 0.000 2.301 174 Y HA 0.485 5.034 4.550 -0.000 0.000 0.325 174 Y C 1.228 177.256 175.900 0.213 0.000 1.203 174 Y CA -0.287 57.901 58.100 0.147 0.000 1.255 174 Y CB 0.895 39.398 38.460 0.070 0.000 1.232 174 Y HN 0.148 nan 8.280 nan 0.000 0.501 175 A N 1.891 124.669 122.820 -0.070 0.000 2.425 175 A HA 0.420 4.740 4.320 -0.000 0.000 0.242 175 A C 1.377 178.890 177.584 -0.118 0.000 1.077 175 A CA 0.147 51.958 52.037 -0.377 0.000 0.781 175 A CB -0.075 18.323 19.000 -1.003 0.000 1.020 175 A HN 1.050 nan 8.150 nan 0.000 0.494 176 A N 2.025 124.919 122.820 0.123 0.000 1.903 176 A HA -0.212 4.107 4.320 -0.000 0.000 0.219 176 A C 1.908 179.541 177.584 0.082 0.000 1.191 176 A CA 2.174 54.286 52.037 0.125 0.000 0.638 176 A CB -1.023 18.091 19.000 0.190 0.000 0.823 176 A HN 1.310 nan 8.150 nan 0.000 0.451 177 W N -0.031 121.284 121.300 0.026 0.000 2.425 177 W HA -0.044 4.616 4.660 -0.000 0.000 0.277 177 W C 1.254 177.787 176.519 0.023 0.000 1.231 177 W CA 0.987 58.340 57.345 0.014 0.000 1.248 177 W CB -0.856 28.598 29.460 -0.010 0.000 1.117 177 W HN 0.494 nan 8.180 nan 0.000 0.568 178 E N 1.235 121.073 120.200 -0.603 0.000 2.106 178 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 178 E C 2.417 178.919 176.600 -0.163 0.000 0.984 178 E CA 1.586 57.718 56.400 -0.447 0.000 0.806 178 E CB -0.213 29.195 29.700 -0.488 0.000 0.750 178 E HN 0.090 nan 8.360 nan 0.000 0.458 179 V N 1.647 121.486 119.914 -0.126 0.000 2.295 179 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 179 V C 2.424 178.334 176.094 -0.306 0.000 1.049 179 V CA 1.865 64.067 62.300 -0.164 0.000 1.024 179 V CB -0.846 30.939 31.823 -0.064 0.000 0.648 179 V HN 0.306 nan 8.190 nan 0.000 0.447 180 A N -0.291 122.384 122.820 -0.242 0.000 1.908 180 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 180 A C 2.296 179.743 177.584 -0.228 0.000 1.181 180 A CA 2.263 54.091 52.037 -0.348 0.000 0.627 180 A CB -0.571 18.474 19.000 0.076 0.000 0.818 180 A HN 0.660 nan 8.150 nan 0.000 0.445 181 E N -0.264 119.902 120.200 -0.057 0.000 2.031 181 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 181 E C 1.911 178.473 176.600 -0.063 0.000 0.994 181 E CA 1.440 57.841 56.400 0.002 0.000 0.800 181 E CB -0.251 29.500 29.700 0.084 0.000 0.752 181 E HN 0.655 nan 8.360 nan 0.000 0.447 182 I N 0.622 121.122 120.570 -0.117 0.000 2.163 182 I HA -0.368 3.802 4.170 -0.000 0.000 0.243 182 I C 2.613 178.657 176.117 -0.122 0.000 1.085 182 I CA 0.987 62.222 61.300 -0.108 0.000 1.347 182 I CB -0.264 37.627 38.000 -0.181 0.000 1.044 182 I HN 0.371 nan 8.210 nan 0.000 0.408 183 C N 0.079 119.222 119.300 -0.262 0.000 2.429 183 C HA -0.138 4.321 4.460 -0.000 0.000 0.277 183 C C 2.983 177.916 174.990 -0.095 0.000 1.262 183 C CA 1.429 60.301 59.018 -0.244 0.000 1.733 183 C CB -1.213 26.182 27.740 -0.575 0.000 2.010 183 C HN 0.517 nan 8.230 nan 0.000 0.483 184 T N 1.457 115.961 114.554 -0.084 0.000 2.821 184 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 184 T C 1.707 176.394 174.700 -0.021 0.000 1.046 184 T CA 1.078 63.197 62.100 0.032 0.000 1.139 184 T CB -0.259 68.655 68.868 0.078 0.000 0.871 184 T HN 0.468 nan 8.240 nan 0.000 0.454 185 L N 0.320 121.522 121.223 -0.036 0.000 2.093 185 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 185 L C 2.759 179.526 176.870 -0.171 0.000 1.085 185 L CA 0.831 55.628 54.840 -0.071 0.000 0.755 185 L CB -0.525 41.548 42.059 0.024 0.000 0.904 185 L HN 0.390 nan 8.230 nan 0.000 0.435 186 C N -0.410 118.855 119.300 -0.058 0.000 2.476 186 C HA -0.120 4.340 4.460 -0.000 0.000 0.278 186 C C 2.750 177.652 174.990 -0.147 0.000 1.274 186 C CA 0.365 59.354 59.018 -0.049 0.000 1.713 186 C CB -0.587 27.201 27.740 0.080 0.000 2.039 186 C HN 0.421 nan 8.230 nan 0.000 0.484 187 K N 1.568 121.922 120.400 -0.078 0.000 2.015 187 K HA -0.206 4.114 4.320 -0.000 0.000 0.216 187 K C 2.226 178.742 176.600 -0.140 0.000 1.052 187 K CA 2.241 58.487 56.287 -0.068 0.000 0.937 187 K CB -0.412 32.085 32.500 -0.004 0.000 0.719 187 K HN 0.645 nan 8.250 nan 0.000 0.446 188 S N 0.526 116.126 115.700 -0.166 0.000 2.461 188 S HA -0.016 4.453 4.470 -0.000 0.000 0.228 188 S C 1.334 175.739 174.600 -0.326 0.000 1.005 188 S CA 0.795 58.879 58.200 -0.192 0.000 0.942 188 S CB -0.013 63.102 63.200 -0.143 0.000 0.776 188 S HN 0.192 nan 8.310 nan 0.000 0.514 189 N N 1.191 119.554 118.700 -0.561 0.000 2.236 189 N HA 0.226 4.966 4.740 -0.000 0.000 0.196 189 N C 1.056 176.015 175.510 -0.918 0.000 1.114 189 N CA 0.664 53.152 53.050 -0.936 0.000 0.859 189 N CB 0.389 37.722 38.487 -1.922 0.000 0.982 189 N HN 0.624 nan 8.380 nan 0.000 0.493 190 G N 0.573 109.058 108.800 -0.524 0.000 2.249 190 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.273 190 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.273 190 G C -0.357 174.372 174.900 -0.285 0.000 1.036 190 G CA 0.011 44.931 45.100 -0.300 0.000 0.824 190 G HN 0.191 nan 8.290 nan 0.000 0.504 191 W N -0.866 120.255 121.300 -0.298 0.000 2.332 191 W HA 0.671 5.331 4.660 -0.000 0.000 0.351 191 W C 0.975 177.439 176.519 -0.093 0.000 1.195 191 W CA -2.601 54.496 57.345 -0.413 0.000 1.334 191 W CB 0.265 29.562 29.460 -0.270 0.000 1.206 191 W HN 0.197 nan 8.180 nan 0.000 0.637 192 I N 2.492 123.270 120.570 0.346 0.000 2.752 192 I HA -0.089 4.081 4.170 -0.000 0.000 0.289 192 I C -0.285 175.892 176.117 0.101 0.000 1.197 192 I CA -0.080 61.301 61.300 0.135 0.000 1.432 192 I CB 0.248 38.213 38.000 -0.060 0.000 1.359 192 I HN 0.046 nan 8.210 nan 0.000 0.571 193 L N 10.056 131.304 121.223 0.040 0.000 2.375 193 L HA 0.437 4.777 4.340 -0.000 0.000 0.271 193 L C -1.975 174.884 176.870 -0.018 0.000 1.107 193 L CA -1.418 53.432 54.840 0.017 0.000 0.806 193 L CB 0.238 42.307 42.059 0.016 0.000 1.146 193 L HN 0.504 nan 8.230 nan 0.000 0.447 194 P HA 0.134 nan 4.420 nan 0.000 0.271 194 P C -0.093 177.162 177.300 -0.075 0.000 1.216 194 P CA -0.206 62.835 63.100 -0.097 0.000 0.776 194 P CB 0.751 32.365 31.700 -0.144 0.000 0.881 195 T N -1.588 112.906 114.554 -0.100 0.000 3.043 195 T HA 0.274 4.624 4.350 -0.000 0.000 0.272 195 T C 0.263 174.894 174.700 -0.116 0.000 0.990 195 T CA -0.110 61.945 62.100 -0.076 0.000 0.897 195 T CB -0.011 68.822 68.868 -0.058 0.000 1.111 195 T HN 0.176 nan 8.240 nan 0.000 0.529 196 V N 1.444 121.244 119.914 -0.190 0.000 2.686 196 V HA 0.557 4.677 4.120 -0.000 0.000 0.306 196 V C -1.692 174.319 176.094 -0.138 0.000 1.065 196 V CA -1.380 60.757 62.300 -0.272 0.000 0.894 196 V CB 2.100 33.597 31.823 -0.544 0.000 1.004 196 V HN 0.442 nan 8.190 nan 0.000 0.424 197 Y N 3.215 123.406 120.300 -0.182 0.000 2.364 197 Y HA 0.599 5.149 4.550 -0.000 0.000 0.340 197 Y C -0.005 175.762 175.900 -0.222 0.000 0.975 197 Y CA -0.300 57.746 58.100 -0.090 0.000 1.089 197 Y CB 1.842 40.301 38.460 -0.001 0.000 1.192 197 Y HN 0.694 nan 8.280 nan 0.000 0.454 198 Q N 4.556 124.115 119.800 -0.403 0.000 2.348 198 Q HA 0.646 4.985 4.340 -0.000 0.000 0.265 198 Q C -1.096 174.812 176.000 -0.154 0.000 0.998 198 Q CA -0.669 54.953 55.803 -0.302 0.000 0.831 198 Q CB 1.286 29.773 28.738 -0.418 0.000 1.251 198 Q HN 0.958 nan 8.270 nan 0.000 0.456 199 G N 2.911 111.650 108.800 -0.101 0.000 2.619 199 G HA2 0.395 4.355 3.960 -0.000 0.000 0.296 199 G HA3 0.395 4.355 3.960 -0.000 0.000 0.296 199 G C -1.290 173.426 174.900 -0.307 0.000 1.334 199 G CA -0.910 44.358 45.100 0.280 0.000 0.934 199 G HN 0.670 nan 8.290 nan 0.000 0.476 200 M N 2.014 121.312 119.600 -0.503 0.000 2.292 200 M HA 0.418 4.898 4.480 -0.000 0.000 0.342 200 M C -1.695 174.621 176.300 0.026 0.000 1.538 200 M CA -0.244 54.612 55.300 -0.741 0.000 1.163 200 M CB 0.101 32.558 32.600 -0.239 0.000 1.823 200 M HN 0.504 nan 8.290 nan 0.000 0.462 201 Y N 5.850 126.092 120.300 -0.097 0.000 2.401 201 Y HA 0.491 5.041 4.550 -0.000 0.000 0.330 201 Y C -1.446 174.460 175.900 0.010 0.000 1.071 201 Y CA -1.331 56.790 58.100 0.034 0.000 1.049 201 Y CB 1.249 39.842 38.460 0.220 0.000 1.239 201 Y HN 0.889 nan 8.280 nan 0.000 0.437 202 N N 1.893 120.486 118.700 -0.178 0.000 3.116 202 N HA 0.533 5.273 4.740 -0.000 0.000 0.244 202 N C -0.067 175.014 175.510 -0.714 0.000 1.485 202 N CA -0.291 52.533 53.050 -0.377 0.000 0.884 202 N CB 0.544 38.904 38.487 -0.213 0.000 1.415 202 N HN 0.469 nan 8.380 nan 0.000 0.524 203 A N -0.226 121.985 122.820 -1.015 0.000 1.958 203 A HA -0.021 4.299 4.320 -0.000 0.000 0.221 203 A C 1.968 178.983 177.584 -0.949 0.000 1.178 203 A CA 3.044 54.011 52.037 -1.785 0.000 0.642 203 A CB -1.356 16.526 19.000 -1.863 0.000 0.816 203 A HN 1.293 nan 8.150 nan 0.000 0.453 204 I N -1.718 118.596 120.570 -0.427 0.000 3.941 204 I HA 0.425 4.595 4.170 -0.000 0.000 0.335 204 I C 0.676 176.875 176.117 0.138 0.000 1.402 204 I CA 0.955 62.218 61.300 -0.062 0.000 1.112 204 I CB -0.784 37.204 38.000 -0.020 0.000 1.043 204 I HN 0.135 nan 8.210 nan 0.000 0.395 205 T N 0.867 115.368 114.554 -0.088 0.000 3.089 205 T HA 0.475 4.825 4.350 -0.000 0.000 0.340 205 T C 0.315 174.908 174.700 -0.178 0.000 1.008 205 T CA -0.352 61.783 62.100 0.058 0.000 1.096 205 T CB 0.379 69.406 68.868 0.265 0.000 1.024 205 T HN 0.571 nan 8.240 nan 0.000 0.477 206 R N 1.280 121.385 120.500 -0.658 0.000 2.659 206 R HA 0.224 4.564 4.340 -0.000 0.000 0.418 206 R C 1.581 177.685 176.300 -0.327 0.000 1.076 206 R CA -0.287 55.446 56.100 -0.612 0.000 1.093 206 R CB 0.564 30.110 30.300 -1.257 0.000 1.400 206 R HN 0.492 nan 8.270 nan 0.000 0.583 207 Q N 1.327 121.123 119.800 -0.006 0.000 2.167 207 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 207 Q C 1.959 177.929 176.000 -0.051 0.000 0.970 207 Q CA 1.836 57.744 55.803 0.175 0.000 0.855 207 Q CB 0.242 29.215 28.738 0.392 0.000 0.911 207 Q HN 0.341 nan 8.270 nan 0.000 0.438 208 V N -1.493 118.225 119.914 -0.325 0.000 2.453 208 V HA -0.265 3.855 4.120 -0.000 0.000 0.252 208 V C 1.650 177.325 176.094 -0.698 0.000 1.068 208 V CA 2.107 63.994 62.300 -0.687 0.000 1.070 208 V CB -0.818 30.573 31.823 -0.719 0.000 0.664 208 V HN 0.305 nan 8.190 nan 0.000 0.461 209 E N 0.758 120.482 120.200 -0.794 0.000 2.118 209 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 209 E C 2.328 178.744 176.600 -0.305 0.000 0.992 209 E CA 1.979 57.931 56.400 -0.747 0.000 0.804 209 E CB -0.421 28.960 29.700 -0.533 0.000 0.741 209 E HN 0.751 nan 8.360 nan 0.000 0.458 210 T N 0.562 115.031 114.554 -0.141 0.000 2.737 210 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 210 T C 1.623 176.327 174.700 0.006 0.000 1.038 210 T CA 1.301 63.393 62.100 -0.014 0.000 1.144 210 T CB -0.042 68.870 68.868 0.073 0.000 0.866 210 T HN 0.200 nan 8.240 nan 0.000 0.434 211 E N -0.547 119.663 120.200 0.016 0.000 2.354 211 E HA 0.218 4.568 4.350 -0.000 0.000 0.203 211 E C 1.896 178.513 176.600 0.028 0.000 0.841 211 E CA -0.155 56.278 56.400 0.055 0.000 1.046 211 E CB -0.041 29.736 29.700 0.129 0.000 1.040 211 E HN 0.091 nan 8.360 nan 0.000 0.504 212 L N 0.910 122.098 121.223 -0.059 0.000 2.017 212 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 212 L C 1.928 178.779 176.870 -0.031 0.000 1.073 212 L CA 1.749 56.512 54.840 -0.129 0.000 0.745 212 L CB -0.442 41.345 42.059 -0.453 0.000 0.894 212 L HN 0.008 nan 8.230 nan 0.000 0.432 213 F N 0.134 119.894 119.950 -0.317 0.000 2.075 213 F HA -0.080 4.447 4.527 -0.001 0.000 0.297 213 F C -0.111 175.607 175.800 -0.136 0.000 1.113 213 F CA 1.334 59.172 58.000 -0.270 0.000 1.218 213 F CB -2.454 36.349 39.000 -0.328 0.000 0.984 213 F HN 0.143 nan 8.300 nan 0.000 0.472 214 P HA -0.241 nan 4.420 nan 0.000 0.217 214 P C 2.148 179.480 177.300 0.053 0.000 1.158 214 P CA 2.017 65.146 63.100 0.047 0.000 0.887 214 P CB -0.328 31.394 31.700 0.036 0.000 0.792 215 C N -1.257 118.087 119.300 0.073 0.000 2.432 215 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 215 C C 2.658 177.775 174.990 0.212 0.000 1.249 215 C CA 0.685 59.803 59.018 0.166 0.000 1.725 215 C CB -1.835 25.998 27.740 0.155 0.000 2.028 215 C HN 0.079 nan 8.230 nan 0.000 0.477 216 L N 0.631 121.884 121.223 0.050 0.000 2.042 216 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 216 L C 3.029 179.889 176.870 -0.017 0.000 1.076 216 L CA 1.468 56.309 54.840 0.001 0.000 0.749 216 L CB -0.736 41.224 42.059 -0.165 0.000 0.893 216 L HN 0.318 nan 8.230 nan 0.000 0.432 217 R N -0.988 119.465 120.500 -0.077 0.000 2.120 217 R HA -0.165 4.174 4.340 -0.000 0.000 0.234 217 R C 2.161 178.403 176.300 -0.096 0.000 1.123 217 R CA 1.144 57.155 56.100 -0.149 0.000 0.975 217 R CB -0.980 29.225 30.300 -0.159 0.000 0.866 217 R HN 0.544 nan 8.270 nan 0.000 0.446 218 H N -0.323 118.671 119.070 -0.127 0.000 2.357 218 H HA -0.059 4.497 4.556 -0.000 0.000 0.301 218 H C 0.965 176.097 175.328 -0.327 0.000 1.082 218 H CA 1.378 57.279 56.048 -0.244 0.000 1.342 218 H CB 0.071 29.642 29.762 -0.319 0.000 1.389 218 H HN 0.084 nan 8.280 nan 0.000 0.511 219 F N -0.230 119.704 119.950 -0.026 0.000 2.765 219 F HA 0.224 4.751 4.527 -0.000 0.000 0.302 219 F C 1.771 177.519 175.800 -0.088 0.000 1.111 219 F CA 0.724 58.686 58.000 -0.063 0.000 1.359 219 F CB 0.550 39.562 39.000 0.021 0.000 1.097 219 F HN 0.348 nan 8.300 nan 0.000 0.577 220 G N 0.993 109.803 108.800 0.016 0.000 2.149 220 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.235 220 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.235 220 G C -0.199 174.696 174.900 -0.009 0.000 1.018 220 G CA -0.402 44.677 45.100 -0.035 0.000 0.728 220 G HN 0.152 nan 8.290 nan 0.000 0.508 221 L N 0.577 121.806 121.223 0.010 0.000 2.375 221 L HA 0.639 4.979 4.340 -0.000 0.000 0.271 221 L C 1.288 178.147 176.870 -0.017 0.000 1.107 221 L CA -0.635 54.206 54.840 0.000 0.000 0.806 221 L CB 0.945 43.023 42.059 0.032 0.000 1.146 221 L HN 0.465 nan 8.230 nan 0.000 0.447 222 R N 1.775 122.271 120.500 -0.005 0.000 2.486 222 R HA 0.543 4.883 4.340 -0.000 0.000 0.286 222 R C -1.117 175.228 176.300 0.075 0.000 0.999 222 R CA -0.562 55.569 56.100 0.052 0.000 0.993 222 R CB 0.974 31.340 30.300 0.109 0.000 1.084 222 R HN 0.397 nan 8.270 nan 0.000 0.487 223 F N 2.602 122.553 119.950 0.000 0.000 2.427 223 F HA 0.389 4.916 4.527 -0.000 0.000 0.346 223 F C -1.324 174.688 175.800 0.353 0.000 1.120 223 F CA -0.923 57.105 58.000 0.048 0.000 1.033 223 F CB 1.066 39.903 39.000 -0.273 0.000 1.126 223 F HN 0.396 nan 8.300 nan 0.000 0.462 224 Y N 4.846 124.924 120.300 -0.370 0.000 2.331 224 Y HA 0.592 5.142 4.550 -0.000 0.000 0.338 224 Y C 0.224 175.918 175.900 -0.343 0.000 0.976 224 Y CA -1.892 56.099 58.100 -0.182 0.000 1.137 224 Y CB 1.092 39.525 38.460 -0.045 0.000 1.172 224 Y HN 0.719 nan 8.280 nan 0.000 0.478 225 A N 5.628 128.547 122.820 0.165 0.000 2.366 225 A HA 0.614 4.934 4.320 -0.000 0.000 0.272 225 A C -0.606 177.099 177.584 0.201 0.000 1.135 225 A CA -0.294 51.906 52.037 0.273 0.000 0.804 225 A CB -0.459 18.803 19.000 0.438 0.000 1.064 225 A HN 0.608 nan 8.150 nan 0.000 0.499 226 F N 0.595 120.636 119.950 0.153 0.000 2.594 226 F HA 0.609 5.136 4.527 -0.000 0.000 0.335 226 F C 0.410 176.317 175.800 0.179 0.000 1.058 226 F CA -1.366 56.703 58.000 0.115 0.000 0.981 226 F CB 0.639 39.675 39.000 0.060 0.000 1.289 226 F HN 0.721 nan 8.300 nan 0.000 0.490 227 N N 0.155 119.123 118.700 0.446 0.000 2.735 227 N HA -0.144 4.596 4.740 -0.000 0.000 0.248 227 N C -2.133 173.447 175.510 0.117 0.000 1.083 227 N CA 0.443 53.682 53.050 0.315 0.000 0.703 227 N CB -0.879 37.864 38.487 0.427 0.000 1.005 227 N HN 0.578 nan 8.380 nan 0.000 0.550 228 P HA -0.129 nan 4.420 nan 0.000 0.222 228 P C 0.846 178.134 177.300 -0.020 0.000 1.147 228 P CA 1.100 64.210 63.100 0.018 0.000 0.790 228 P CB 0.209 31.929 31.700 0.034 0.000 0.780 229 L N -1.289 119.938 121.223 0.008 0.000 2.818 229 L HA 0.427 4.767 4.340 -0.000 0.000 0.243 229 L C 0.720 177.551 176.870 -0.064 0.000 1.185 229 L CA -0.317 54.517 54.840 -0.009 0.000 0.988 229 L CB -0.487 41.599 42.059 0.046 0.000 1.292 229 L HN -0.141 nan 8.230 nan 0.000 0.519 230 A N 0.486 123.202 122.820 -0.173 0.000 2.640 230 A HA -0.141 4.179 4.320 -0.000 0.000 0.300 230 A C 1.472 179.000 177.584 -0.094 0.000 1.499 230 A CA 0.818 52.519 52.037 -0.561 0.000 0.759 230 A CB -1.868 16.593 19.000 -0.897 0.000 1.048 230 A HN 1.043 nan 8.150 nan 0.000 0.450 231 G N -2.182 106.708 108.800 0.150 0.000 2.155 231 G HA2 0.219 4.179 3.960 -0.000 0.000 0.257 231 G HA3 0.219 4.179 3.960 -0.000 0.000 0.257 231 G C 1.169 176.270 174.900 0.336 0.000 0.983 231 G CA 0.962 46.176 45.100 0.191 0.000 0.676 231 G HN 2.989 nan 8.290 nan 0.000 0.528 232 G N -1.574 107.391 108.800 0.275 0.000 2.213 232 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.226 232 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.226 232 G C 1.159 176.264 174.900 0.341 0.000 0.992 232 G CA 0.922 46.211 45.100 0.314 0.000 0.632 232 G HN 1.431 nan 8.290 nan 0.000 0.511 233 L N 0.822 122.213 121.223 0.281 0.000 2.079 233 L HA 0.218 4.558 4.340 -0.000 0.000 0.210 233 L C 2.532 179.387 176.870 -0.026 0.000 1.081 233 L CA 2.328 57.192 54.840 0.039 0.000 0.752 233 L CB -0.220 41.701 42.059 -0.231 0.000 0.896 233 L HN 0.410 nan 8.230 nan 0.000 0.433 234 L N -0.977 120.228 121.223 -0.028 0.000 2.610 234 L HA -0.062 4.278 4.340 -0.000 0.000 0.232 234 L C 2.142 179.022 176.870 0.017 0.000 1.149 234 L CA 0.895 55.721 54.840 -0.024 0.000 0.872 234 L CB -0.878 41.162 42.059 -0.032 0.000 0.992 234 L HN 0.451 nan 8.230 nan 0.000 0.447 235 T N -3.843 110.730 114.554 0.031 0.000 3.035 235 T HA 0.026 4.376 4.350 -0.000 0.000 0.268 235 T C 1.592 176.287 174.700 -0.007 0.000 1.109 235 T CA 0.641 62.751 62.100 0.017 0.000 1.119 235 T CB 0.003 68.877 68.868 0.010 0.000 0.900 235 T HN 0.442 nan 8.240 nan 0.000 0.503 236 G N 2.444 111.241 108.800 -0.004 0.000 2.143 236 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.248 236 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.248 236 G C 0.674 175.569 174.900 -0.007 0.000 0.991 236 G CA 0.571 45.673 45.100 0.004 0.000 0.689 236 G HN 0.805 nan 8.290 nan 0.000 0.522 237 K N -0.929 119.411 120.400 -0.099 0.000 2.400 237 K HA 0.222 4.542 4.320 -0.000 0.000 0.194 237 K C 0.382 176.864 176.600 -0.198 0.000 1.033 237 K CA 0.115 56.281 56.287 -0.201 0.000 1.021 237 K CB 0.247 32.547 32.500 -0.333 0.000 0.808 237 K HN 0.376 nan 8.250 nan 0.000 0.505 238 Y N 1.409 121.789 120.300 0.134 0.000 2.453 238 Y HA 0.511 5.061 4.550 -0.000 0.000 0.326 238 Y C 0.491 176.507 175.900 0.193 0.000 1.186 238 Y CA -0.751 57.471 58.100 0.202 0.000 1.200 238 Y CB 1.276 39.880 38.460 0.239 0.000 1.247 238 Y HN -0.027 nan 8.280 nan 0.000 0.482 239 K N 0.291 120.813 120.400 0.204 0.000 2.371 239 K HA 0.325 4.645 4.320 -0.000 0.000 0.251 239 K C -0.078 176.184 176.600 -0.563 0.000 0.934 239 K CA -0.872 55.321 56.287 -0.156 0.000 0.798 239 K CB 0.467 32.945 32.500 -0.037 0.000 1.204 239 K HN 0.829 nan 8.250 nan 0.000 0.427 240 Y N 1.282 120.690 120.300 -1.488 0.000 2.181 240 Y HA -0.276 4.274 4.550 -0.000 0.000 0.284 240 Y C 2.030 177.869 175.900 -0.100 0.000 1.179 240 Y CA 3.283 60.669 58.100 -1.189 0.000 1.179 240 Y CB 0.081 38.022 38.460 -0.866 0.000 0.973 240 Y HN 0.689 nan 8.280 nan 0.000 0.519 241 E N -0.424 119.726 120.200 -0.083 0.000 2.515 241 E HA -0.145 4.205 4.350 -0.000 0.000 0.201 241 E C 1.333 177.925 176.600 -0.012 0.000 1.071 241 E CA 0.863 57.246 56.400 -0.027 0.000 0.880 241 E CB -0.481 29.227 29.700 0.014 0.000 0.828 241 E HN 0.649 nan 8.360 nan 0.000 0.540 242 D N 0.791 121.247 120.400 0.093 0.000 2.224 242 D HA -0.125 4.514 4.640 -0.000 0.000 0.205 242 D C 2.114 178.348 176.300 -0.109 0.000 0.965 242 D CA 1.497 55.530 54.000 0.056 0.000 0.852 242 D CB -0.300 40.648 40.800 0.245 0.000 0.947 242 D HN 0.479 nan 8.370 nan 0.000 0.494 243 K N 0.673 121.042 120.400 -0.052 0.000 2.152 243 K HA -0.118 4.201 4.320 -0.000 0.000 0.206 243 K C 1.224 177.748 176.600 -0.128 0.000 1.048 243 K CA 1.252 57.447 56.287 -0.154 0.000 0.933 243 K CB -0.654 31.640 32.500 -0.343 0.000 0.721 243 K HN 0.152 nan 8.250 nan 0.000 0.447 244 D N -0.287 120.045 120.400 -0.113 0.000 2.305 244 D HA 0.189 4.829 4.640 -0.000 0.000 0.206 244 D C 1.655 177.904 176.300 -0.084 0.000 0.974 244 D CA 1.277 55.229 54.000 -0.080 0.000 0.871 244 D CB 0.397 41.167 40.800 -0.050 0.000 0.947 244 D HN 0.555 nan 8.370 nan 0.000 0.516 245 G N 0.273 109.007 108.800 -0.110 0.000 2.465 245 G HA2 0.152 4.112 3.960 -0.000 0.000 0.178 245 G HA3 0.152 4.112 3.960 -0.000 0.000 0.178 245 G C 1.620 176.431 174.900 -0.148 0.000 1.591 245 G CA 0.681 45.720 45.100 -0.102 0.000 0.689 245 G HN 0.239 nan 8.290 nan 0.000 0.708 246 K N 0.226 120.535 120.400 -0.153 0.000 2.057 246 K HA -0.008 4.312 4.320 -0.000 0.000 0.207 246 K C 1.239 177.660 176.600 -0.299 0.000 1.049 246 K CA 1.853 58.042 56.287 -0.163 0.000 0.931 246 K CB -1.299 31.143 32.500 -0.095 0.000 0.714 246 K HN 0.602 nan 8.250 nan 0.000 0.440 247 Q N 0.391 119.835 119.800 -0.593 0.000 2.437 247 Q HA -0.106 4.234 4.340 -0.000 0.000 0.354 247 Q C -2.230 173.325 176.000 -0.742 0.000 1.402 247 Q CA 0.117 55.188 55.803 -1.219 0.000 1.020 247 Q CB -1.574 26.736 28.738 -0.714 0.000 1.220 247 Q HN 0.577 nan 8.270 nan 0.000 0.368 248 P HA 0.134 nan 4.420 nan 0.000 0.271 248 P C 0.332 177.752 177.300 0.201 0.000 1.233 248 P CA 0.283 63.380 63.100 -0.005 0.000 0.764 248 P CB 0.476 32.267 31.700 0.152 0.000 0.825 249 V N 3.386 123.386 119.914 0.144 0.000 2.536 249 V HA 0.293 4.413 4.120 -0.000 0.000 0.287 249 V C 1.098 177.336 176.094 0.239 0.000 0.979 249 V CA 1.553 63.964 62.300 0.185 0.000 1.161 249 V CB -1.112 30.774 31.823 0.104 0.000 0.915 249 V HN 0.825 nan 8.190 nan 0.000 0.467 250 G N 3.482 112.465 108.800 0.306 0.000 2.677 250 G HA2 0.421 4.380 3.960 -0.000 0.000 0.283 250 G HA3 0.421 4.380 3.960 -0.000 0.000 0.283 250 G C 0.478 175.496 174.900 0.197 0.000 1.221 250 G CA 0.190 45.468 45.100 0.297 0.000 0.851 250 G HN 0.790 nan 8.290 nan 0.000 0.504 251 R N -0.633 119.973 120.500 0.176 0.000 2.120 251 R HA 0.160 4.500 4.340 -0.000 0.000 0.234 251 R C 1.625 177.742 176.300 -0.306 0.000 1.123 251 R CA 1.881 57.897 56.100 -0.141 0.000 0.975 251 R CB -0.609 29.525 30.300 -0.276 0.000 0.866 251 R HN 0.369 nan 8.270 nan 0.000 0.446 252 F N -1.574 118.292 119.950 -0.141 0.000 2.727 252 F HA 0.339 4.866 4.527 -0.000 0.000 0.302 252 F C -0.350 174.876 175.800 -0.956 0.000 1.097 252 F CA -0.210 57.486 58.000 -0.507 0.000 1.330 252 F CB 0.467 39.057 39.000 -0.683 0.000 1.084 252 F HN -0.194 nan 8.300 nan 0.000 0.578 253 F N -0.423 119.576 119.950 0.081 0.000 2.574 253 F HA 0.550 5.077 4.527 -0.000 0.000 0.313 253 F C 0.664 176.474 175.800 0.017 0.000 1.130 253 F CA -1.581 56.427 58.000 0.014 0.000 0.936 253 F CB 1.738 40.742 39.000 0.008 0.000 1.219 253 F HN -0.108 nan 8.300 nan 0.000 0.445 254 G N 2.280 111.177 108.800 0.162 0.000 2.198 254 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.257 254 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.257 254 G C -0.716 174.213 174.900 0.050 0.000 1.042 254 G CA 0.330 45.486 45.100 0.093 0.000 0.791 254 G HN 1.091 nan 8.290 nan 0.000 0.502 255 N N -3.196 115.519 118.700 0.025 0.000 2.647 255 N HA 0.642 5.382 4.740 -0.000 0.000 0.266 255 N C 0.932 176.414 175.510 -0.047 0.000 1.373 255 N CA -0.123 52.933 53.050 0.010 0.000 0.807 255 N CB 0.285 38.804 38.487 0.053 0.000 1.513 255 N HN -0.121 nan 8.380 nan 0.000 0.505 256 T N -0.977 113.507 114.554 -0.115 0.000 2.685 256 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 256 T C 0.325 174.747 174.700 -0.463 0.000 1.034 256 T CA 1.777 63.656 62.100 -0.367 0.000 1.149 256 T CB -0.385 68.135 68.868 -0.579 0.000 0.860 256 T HN 0.608 nan 8.240 nan 0.000 0.449 257 W N 0.747 122.048 121.300 0.002 0.000 3.278 257 W HA 0.620 5.280 4.660 -0.000 0.000 0.308 257 W C 2.296 178.827 176.519 0.020 0.000 1.253 257 W CA -0.272 57.094 57.345 0.036 0.000 1.759 257 W CB -0.397 29.125 29.460 0.103 0.000 1.093 257 W HN 0.202 nan 8.180 nan 0.000 0.648 258 A N 1.015 123.885 122.820 0.084 0.000 1.884 258 A HA -0.347 3.973 4.320 -0.000 0.000 0.219 258 A C 1.870 179.419 177.584 -0.059 0.000 1.197 258 A CA 2.417 54.426 52.037 -0.046 0.000 0.637 258 A CB -0.793 18.153 19.000 -0.090 0.000 0.827 258 A HN 0.420 nan 8.150 nan 0.000 0.450 259 E N -0.959 119.213 120.200 -0.046 0.000 2.106 259 E HA -0.187 4.162 4.350 -0.000 0.000 0.192 259 E C 2.033 178.630 176.600 -0.006 0.000 0.984 259 E CA 1.252 57.620 56.400 -0.053 0.000 0.806 259 E CB -0.225 29.439 29.700 -0.059 0.000 0.750 259 E HN 0.658 nan 8.360 nan 0.000 0.458 260 M N -0.453 119.175 119.600 0.046 0.000 2.080 260 M HA -0.233 4.247 4.480 -0.000 0.000 0.260 260 M C 1.618 177.876 176.300 -0.070 0.000 1.068 260 M CA 1.683 56.995 55.300 0.020 0.000 1.109 260 M CB -0.215 32.461 32.600 0.126 0.000 1.342 260 M HN 0.220 nan 8.290 nan 0.000 0.405 261 Y N 0.305 120.557 120.300 -0.080 0.000 2.274 261 Y HA -0.164 4.386 4.550 -0.000 0.000 0.290 261 Y C 2.509 178.431 175.900 0.036 0.000 1.145 261 Y CA 1.678 59.675 58.100 -0.172 0.000 1.203 261 Y CB -0.258 37.877 38.460 -0.542 0.000 0.984 261 Y HN 0.257 nan 8.280 nan 0.000 0.533 262 R N -0.130 120.481 120.500 0.184 0.000 2.081 262 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 262 R C 1.750 178.170 176.300 0.199 0.000 1.131 262 R CA 1.433 57.690 56.100 0.261 0.000 0.960 262 R CB -0.313 29.967 30.300 -0.033 0.000 0.856 262 R HN 0.359 nan 8.270 nan 0.000 0.436 263 N N 0.475 119.214 118.700 0.064 0.000 2.309 263 N HA -0.149 4.591 4.740 -0.000 0.000 0.182 263 N C 1.635 177.122 175.510 -0.037 0.000 1.018 263 N CA 0.881 53.945 53.050 0.024 0.000 0.876 263 N CB -0.130 38.347 38.487 -0.016 0.000 0.972 263 N HN 0.261 nan 8.380 nan 0.000 0.434 264 R N -0.545 119.877 120.500 -0.130 0.000 2.052 264 R HA -0.005 4.334 4.340 -0.000 0.000 0.226 264 R C 1.085 177.173 176.300 -0.352 0.000 1.145 264 R CA 1.228 57.107 56.100 -0.369 0.000 0.952 264 R CB 0.048 29.915 30.300 -0.722 0.000 0.847 264 R HN 0.258 nan 8.270 nan 0.000 0.431 265 Y N -2.817 117.532 120.300 0.081 0.000 2.467 265 Y HA 0.100 4.650 4.550 -0.000 0.000 0.259 265 Y C 0.592 176.347 175.900 -0.242 0.000 1.084 265 Y CA -0.913 57.101 58.100 -0.143 0.000 1.275 265 Y CB 0.465 39.034 38.460 0.182 0.000 1.208 265 Y HN 0.168 nan 8.280 nan 0.000 0.511 266 W N 3.871 125.228 121.300 0.096 0.000 1.438 266 W HA 0.345 5.005 4.660 -0.000 0.000 0.455 266 W C -0.319 176.366 176.519 0.276 0.000 0.656 266 W CA 0.129 57.575 57.345 0.167 0.000 2.049 266 W CB -0.556 29.002 29.460 0.164 0.000 1.683 266 W HN -0.120 nan 8.180 nan 0.000 0.228 267 K N 0.238 120.790 120.400 0.254 0.000 2.221 267 K HA 0.543 4.863 4.320 -0.000 0.000 0.243 267 K C 0.947 177.735 176.600 0.313 0.000 0.968 267 K CA 0.339 56.836 56.287 0.349 0.000 0.846 267 K CB 0.558 33.242 32.500 0.308 0.000 1.141 267 K HN 0.313 nan 8.250 nan 0.000 0.434 268 E N 0.195 120.396 120.200 0.001 0.000 2.058 268 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 268 E C 1.712 178.264 176.600 -0.081 0.000 0.997 268 E CA 1.994 58.170 56.400 -0.373 0.000 0.801 268 E CB -0.863 28.465 29.700 -0.619 0.000 0.746 268 E HN 0.729 nan 8.360 nan 0.000 0.450 269 H N -0.619 118.494 119.070 0.073 0.000 2.456 269 H HA -0.069 4.487 4.556 -0.000 0.000 0.296 269 H C 2.118 177.469 175.328 0.039 0.000 1.079 269 H CA 1.647 57.734 56.048 0.065 0.000 1.322 269 H CB -0.128 29.688 29.762 0.091 0.000 1.388 269 H HN 0.633 nan 8.280 nan 0.000 0.538 270 H N -0.643 118.482 119.070 0.090 0.000 2.326 270 H HA -0.078 4.477 4.556 -0.000 0.000 0.301 270 H C 1.958 177.198 175.328 -0.148 0.000 1.081 270 H CA 1.386 57.403 56.048 -0.051 0.000 1.334 270 H CB -0.400 29.273 29.762 -0.149 0.000 1.385 270 H HN 0.207 nan 8.280 nan 0.000 0.504 271 F N 0.918 120.888 119.950 0.034 0.000 2.234 271 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 271 F C 2.301 178.075 175.800 -0.044 0.000 1.087 271 F CA 1.000 58.970 58.000 -0.050 0.000 1.340 271 F CB -0.136 38.806 39.000 -0.097 0.000 1.031 271 F HN 0.223 nan 8.300 nan 0.000 0.500 272 E N -0.097 120.175 120.200 0.121 0.000 2.058 272 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 272 E C 2.603 179.218 176.600 0.026 0.000 0.997 272 E CA 1.165 57.600 56.400 0.059 0.000 0.801 272 E CB -0.659 29.083 29.700 0.070 0.000 0.746 272 E HN 0.477 nan 8.360 nan 0.000 0.450 273 G N 0.934 109.738 108.800 0.006 0.000 2.408 273 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 273 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 273 G C 1.585 176.441 174.900 -0.073 0.000 1.150 273 G CA 0.417 45.494 45.100 -0.039 0.000 0.776 273 G HN 0.115 nan 8.290 nan 0.000 0.542 274 I N 1.357 121.886 120.570 -0.069 0.000 2.226 274 I HA -0.160 4.009 4.170 -0.000 0.000 0.245 274 I C 3.275 179.350 176.117 -0.070 0.000 1.100 274 I CA 0.939 62.189 61.300 -0.083 0.000 1.374 274 I CB -0.149 37.802 38.000 -0.083 0.000 1.057 274 I HN 0.235 nan 8.210 nan 0.000 0.413 275 A N 0.634 123.441 122.820 -0.022 0.000 1.908 275 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 275 A C 2.369 179.920 177.584 -0.055 0.000 1.181 275 A CA 1.544 53.570 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 0.440 nan 8.150 nan 0.000 0.445 276 L N -0.514 120.671 121.223 -0.064 0.000 2.042 276 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 276 L C 2.466 179.252 176.870 -0.141 0.000 1.076 276 L CA 1.360 56.152 54.840 -0.081 0.000 0.749 276 L CB -0.150 41.868 42.059 -0.068 0.000 0.893 276 L HN 0.252 nan 8.230 nan 0.000 0.432 277 V N -0.306 119.476 119.914 -0.221 0.000 2.379 277 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 277 V C 2.305 178.243 176.094 -0.259 0.000 1.044 277 V CA 1.845 63.924 62.300 -0.370 0.000 1.036 277 V CB -0.350 31.077 31.823 -0.660 0.000 0.664 277 V HN 0.476 nan 8.190 nan 0.000 0.453 278 E N 0.280 120.376 120.200 -0.174 0.000 2.110 278 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 278 E C 2.468 179.017 176.600 -0.086 0.000 0.988 278 E CA 1.751 58.082 56.400 -0.116 0.000 0.804 278 E CB -0.227 29.430 29.700 -0.071 0.000 0.745 278 E HN 0.681 nan 8.360 nan 0.000 0.458 279 K N 0.844 121.199 120.400 -0.075 0.000 2.057 279 K HA 0.078 4.398 4.320 -0.000 0.000 0.206 279 K C 2.100 178.672 176.600 -0.047 0.000 1.050 279 K CA 1.242 57.500 56.287 -0.048 0.000 0.935 279 K CB -0.908 31.570 32.500 -0.038 0.000 0.715 279 K HN 0.205 nan 8.250 nan 0.000 0.439 280 A N 0.651 123.426 122.820 -0.075 0.000 1.969 280 A HA 0.089 4.409 4.320 -0.000 0.000 0.218 280 A C 2.428 179.991 177.584 -0.035 0.000 1.169 280 A CA 1.306 53.307 52.037 -0.059 0.000 0.635 280 A CB -0.295 18.645 19.000 -0.099 0.000 0.810 280 A HN 0.430 nan 8.150 nan 0.000 0.445 281 L N -1.120 120.052 121.223 -0.085 0.000 2.005 281 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 281 L C 3.158 180.033 176.870 0.007 0.000 1.072 281 L CA 1.636 56.421 54.840 -0.090 0.000 0.744 281 L CB -0.720 41.236 42.059 -0.172 0.000 0.895 281 L HN 0.417 nan 8.230 nan 0.000 0.433 282 Q N -0.773 119.025 119.800 -0.003 0.000 2.124 282 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 282 Q C 2.345 178.377 176.000 0.053 0.000 0.977 282 Q CA 1.273 57.092 55.803 0.028 0.000 0.850 282 Q CB -0.724 28.018 28.738 0.006 0.000 0.901 282 Q HN 0.712 nan 8.270 nan 0.000 0.429 283 A N 0.440 123.285 122.820 0.042 0.000 1.877 283 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 283 A C 2.314 179.937 177.584 0.066 0.000 1.186 283 A CA 1.816 53.878 52.037 0.041 0.000 0.620 283 A CB -0.760 18.254 19.000 0.023 0.000 0.822 283 A HN 0.563 nan 8.150 nan 0.000 0.443 284 A N -3.031 119.862 122.820 0.122 0.000 2.081 284 A HA 0.318 4.638 4.320 -0.000 0.000 0.214 284 A C 1.721 179.374 177.584 0.115 0.000 1.158 284 A CA 0.989 53.104 52.037 0.131 0.000 0.724 284 A CB -0.222 18.893 19.000 0.192 0.000 0.826 284 A HN 0.535 nan 8.150 nan 0.000 0.463 285 Y N -1.621 118.676 120.300 -0.005 0.000 2.526 285 Y HA 0.387 4.938 4.550 0.000 0.000 0.265 285 Y C 1.855 177.755 175.900 -0.001 0.000 1.092 285 Y CA 0.058 58.158 58.100 -0.000 0.000 1.277 285 Y CB 0.064 38.525 38.460 0.003 0.000 1.228 285 Y HN 0.455 nan 8.280 nan 0.000 0.507 286 G N 1.123 110.014 108.800 0.152 0.000 2.531 286 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.274 286 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.274 286 G C 1.449 176.393 174.900 0.072 0.000 1.159 286 G CA 0.687 45.835 45.100 0.080 0.000 0.969 286 G HN 0.641 nan 8.290 nan 0.000 0.554 287 A N -0.782 122.070 122.820 0.053 0.000 1.933 287 A HA 0.354 4.674 4.320 -0.000 0.000 0.218 287 A C 2.867 180.485 177.584 0.057 0.000 1.175 287 A CA 3.171 55.234 52.037 0.043 0.000 0.628 287 A CB -1.091 17.928 19.000 0.031 0.000 0.814 287 A HN 2.433 nan 8.150 nan 0.000 0.444 288 S N -0.389 115.359 115.700 0.081 0.000 2.720 288 S HA 0.571 5.041 4.470 -0.000 0.000 0.222 288 S C 0.904 175.594 174.600 0.151 0.000 0.958 288 S CA 0.480 58.742 58.200 0.104 0.000 0.943 288 S CB -0.817 62.445 63.200 0.104 0.000 0.779 288 S HN 0.971 nan 8.310 nan 0.000 0.526 289 A N 2.891 125.783 122.820 0.120 0.000 2.511 289 A HA 0.526 4.846 4.320 -0.000 0.000 0.242 289 A C -1.730 175.835 177.584 -0.033 0.000 1.069 289 A CA -0.931 51.130 52.037 0.041 0.000 0.763 289 A CB -0.103 18.900 19.000 0.004 0.000 1.001 289 A HN 0.394 nan 8.150 nan 0.000 0.498 290 P HA 0.258 nan 4.420 nan 0.000 0.276 290 P C 0.069 177.326 177.300 -0.072 0.000 1.244 290 P CA -0.346 62.707 63.100 -0.079 0.000 0.801 290 P CB 0.822 32.461 31.700 -0.102 0.000 1.006 291 S N 0.797 116.480 115.700 -0.030 0.000 2.573 291 S HA 0.055 4.525 4.470 -0.000 0.000 0.277 291 S C 1.202 175.793 174.600 -0.014 0.000 1.346 291 S CA -0.324 57.865 58.200 -0.019 0.000 1.034 291 S CB -0.045 63.154 63.200 -0.001 0.000 0.879 291 S HN 0.633 nan 8.310 nan 0.000 0.528 292 M N 0.322 119.917 119.600 -0.009 0.000 2.495 292 M HA 0.154 4.633 4.480 -0.000 0.000 0.237 292 M C 1.110 177.447 176.300 0.063 0.000 1.131 292 M CA 0.206 55.518 55.300 0.019 0.000 1.032 292 M CB -0.707 31.882 32.600 -0.019 0.000 1.513 292 M HN 0.624 nan 8.290 nan 0.000 0.488 293 T N 0.313 114.893 114.554 0.043 0.000 2.652 293 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 293 T C 1.958 176.706 174.700 0.080 0.000 1.039 293 T CA 2.146 64.280 62.100 0.056 0.000 1.153 293 T CB -0.312 68.580 68.868 0.041 0.000 0.863 293 T HN 0.604 nan 8.240 nan 0.000 0.428 294 S N 0.643 116.384 115.700 0.068 0.000 2.355 294 S HA -0.032 4.438 4.470 -0.000 0.000 0.222 294 S C 2.436 177.109 174.600 0.122 0.000 1.031 294 S CA 1.227 59.475 58.200 0.080 0.000 0.993 294 S CB -0.612 62.617 63.200 0.048 0.000 0.859 294 S HN 0.518 nan 8.310 nan 0.000 0.453 295 A N 0.536 123.428 122.820 0.120 0.000 1.883 295 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 295 A C 2.357 180.137 177.584 0.328 0.000 1.186 295 A CA 2.405 54.571 52.037 0.215 0.000 0.624 295 A CB -1.581 17.522 19.000 0.172 0.000 0.822 295 A HN 0.578 nan 8.150 nan 0.000 0.444 296 T N 0.346 115.064 114.554 0.274 0.000 2.746 296 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 296 T C 1.819 176.572 174.700 0.088 0.000 1.039 296 T CA 1.460 63.625 62.100 0.109 0.000 1.142 296 T CB -0.357 68.557 68.868 0.077 0.000 0.866 296 T HN 0.362 nan 8.240 nan 0.000 0.444 297 L N 0.231 121.549 121.223 0.158 0.000 2.056 297 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 297 L C 2.861 179.942 176.870 0.351 0.000 1.078 297 L CA 1.321 56.302 54.840 0.235 0.000 0.749 297 L CB -0.404 41.801 42.059 0.244 0.000 0.901 297 L HN 0.129 nan 8.230 nan 0.000 0.433 298 R N -1.160 119.531 120.500 0.317 0.000 2.120 298 R HA -0.233 4.107 4.340 -0.000 0.000 0.234 298 R C 2.027 178.579 176.300 0.419 0.000 1.123 298 R CA 1.783 58.120 56.100 0.394 0.000 0.975 298 R CB -0.418 30.087 30.300 0.341 0.000 0.866 298 R HN 0.420 nan 8.270 nan 0.000 0.446 299 W N 0.773 122.130 121.300 0.096 0.000 2.358 299 W HA -0.200 4.460 4.660 -0.000 0.000 0.303 299 W C 1.830 178.309 176.519 -0.066 0.000 1.208 299 W CA 1.287 58.611 57.345 -0.036 0.000 1.274 299 W CB 0.043 29.157 29.460 -0.577 0.000 1.138 299 W HN -0.047 nan 8.180 nan 0.000 0.515 300 M N -0.837 118.849 119.600 0.144 0.000 2.099 300 M HA -0.211 4.269 4.480 -0.000 0.000 0.262 300 M C 1.880 178.012 176.300 -0.279 0.000 1.067 300 M CA 1.747 56.971 55.300 -0.128 0.000 1.124 300 M CB -1.750 30.765 32.600 -0.143 0.000 1.353 300 M HN 0.114 nan 8.290 nan 0.000 0.410 301 Y N -0.711 119.507 120.300 -0.136 0.000 2.200 301 Y HA -0.177 4.373 4.550 -0.000 0.000 0.290 301 Y C 2.603 178.235 175.900 -0.446 0.000 1.137 301 Y CA 1.355 59.289 58.100 -0.278 0.000 1.163 301 Y CB -0.334 37.933 38.460 -0.322 0.000 0.988 301 Y HN 0.350 nan 8.280 nan 0.000 0.518 302 H N -3.034 115.983 119.070 -0.088 0.000 2.615 302 H HA 0.177 4.733 4.556 -0.000 0.000 0.275 302 H C 0.810 175.749 175.328 -0.647 0.000 0.981 302 H CA 0.961 56.798 56.048 -0.352 0.000 1.252 302 H CB 0.412 29.925 29.762 -0.415 0.000 1.447 302 H HN 0.422 nan 8.280 nan 0.000 0.498 303 H N 0.251 119.106 119.070 -0.358 0.000 2.923 303 H HA 0.191 4.746 4.556 -0.001 0.000 0.268 303 H C 0.952 175.688 175.328 -0.986 0.000 1.148 303 H CA 0.119 55.821 56.048 -0.576 0.000 1.146 303 H CB 1.143 30.558 29.762 -0.579 0.000 1.607 303 H HN 0.161 nan 8.280 nan 0.000 0.566 304 S N 0.217 115.346 115.700 -0.952 0.000 2.666 304 S HA 0.096 4.566 4.470 -0.000 0.000 0.279 304 S C 1.213 175.630 174.600 -0.306 0.000 1.149 304 S CA -0.625 57.013 58.200 -0.937 0.000 1.020 304 S CB 1.571 64.261 63.200 -0.849 0.000 1.127 304 S HN 0.089 nan 8.310 nan 0.000 0.537 305 Q N -0.215 119.557 119.800 -0.046 0.000 2.425 305 Q HA 0.289 4.629 4.340 -0.000 0.000 0.204 305 Q C 0.105 176.237 176.000 0.220 0.000 0.933 305 Q CA 0.027 55.875 55.803 0.075 0.000 0.939 305 Q CB -0.463 28.273 28.738 -0.004 0.000 1.044 305 Q HN 0.569 nan 8.270 nan 0.000 0.513 306 L N 1.709 123.060 121.223 0.214 0.000 2.485 306 L HA -0.031 4.308 4.340 -0.000 0.000 0.275 306 L C 0.343 177.255 176.870 0.070 0.000 1.207 306 L CA 0.752 55.703 54.840 0.185 0.000 0.855 306 L CB 0.204 42.343 42.059 0.134 0.000 1.114 306 L HN 0.002 nan 8.230 nan 0.000 0.485 307 Q N 1.168 121.014 119.800 0.075 0.000 2.275 307 Q HA 0.194 4.534 4.340 -0.000 0.000 0.266 307 Q C 0.826 176.810 176.000 -0.026 0.000 1.002 307 Q CA -0.241 55.551 55.803 -0.019 0.000 0.761 307 Q CB 1.991 30.672 28.738 -0.096 0.000 1.255 307 Q HN 0.851 nan 8.270 nan 0.000 0.446 308 G N 1.870 110.650 108.800 -0.034 0.000 2.469 308 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.219 308 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.219 308 G C 1.312 176.191 174.900 -0.036 0.000 1.150 308 G CA 1.255 46.349 45.100 -0.010 0.000 0.763 308 G HN 0.706 nan 8.290 nan 0.000 0.561 309 A N 0.621 123.364 122.820 -0.128 0.000 1.940 309 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 309 A C 2.040 179.552 177.584 -0.120 0.000 1.190 309 A CA 2.073 54.002 52.037 -0.181 0.000 0.647 309 A CB -0.790 18.010 19.000 -0.334 0.000 0.821 309 A HN 0.646 nan 8.150 nan 0.000 0.457 310 H N -2.023 117.066 119.070 0.033 0.000 2.539 310 H HA 0.373 4.929 4.556 -0.000 0.000 0.269 310 H C 1.423 176.789 175.328 0.063 0.000 0.980 310 H CA 0.171 56.240 56.048 0.034 0.000 1.152 310 H CB 0.244 30.016 29.762 0.016 0.000 1.407 310 H HN 0.709 nan 8.280 nan 0.000 0.564 311 G N 1.162 110.059 108.800 0.162 0.000 2.132 311 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.234 311 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.234 311 G C -0.536 174.511 174.900 0.246 0.000 0.989 311 G CA -0.014 45.193 45.100 0.177 0.000 0.676 311 G HN 0.317 nan 8.290 nan 0.000 0.522 312 D N 0.578 121.110 120.400 0.219 0.000 2.382 312 D HA 0.627 5.267 4.640 -0.000 0.000 0.240 312 D C 0.701 177.105 176.300 0.173 0.000 1.146 312 D CA 1.217 55.379 54.000 0.271 0.000 0.897 312 D CB 1.420 42.359 40.800 0.232 0.000 1.197 312 D HN 0.947 nan 8.370 nan 0.000 0.432 313 A N 0.669 123.571 122.820 0.135 0.000 2.569 313 A HA 0.633 4.953 4.320 -0.000 0.000 0.290 313 A C -1.205 176.326 177.584 -0.089 0.000 1.136 313 A CA -0.680 51.282 52.037 -0.126 0.000 0.710 313 A CB 1.540 20.187 19.000 -0.587 0.000 1.303 313 A HN 0.283 nan 8.150 nan 0.000 0.413 314 V N 1.468 121.284 119.914 -0.164 0.000 2.448 314 V HA 0.366 4.486 4.120 -0.000 0.000 0.295 314 V C -0.466 175.587 176.094 -0.067 0.000 1.025 314 V CA -0.200 62.019 62.300 -0.135 0.000 0.859 314 V CB 1.369 32.971 31.823 -0.367 0.000 0.988 314 V HN 0.651 nan 8.190 nan 0.000 0.431 315 I N 5.973 126.540 120.570 -0.004 0.000 2.301 315 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 315 I C -0.131 176.007 176.117 0.036 0.000 1.046 315 I CA -0.130 61.177 61.300 0.011 0.000 1.282 315 I CB 0.730 38.764 38.000 0.057 0.000 1.409 315 I HN 0.352 nan 8.210 nan 0.000 0.484 316 L N 5.849 127.084 121.223 0.021 0.000 2.349 316 L HA 0.497 4.837 4.340 -0.000 0.000 0.275 316 L C 0.814 177.686 176.870 0.003 0.000 1.115 316 L CA -0.237 54.626 54.840 0.038 0.000 0.820 316 L CB 1.084 43.180 42.059 0.063 0.000 1.135 316 L HN 0.654 nan 8.230 nan 0.000 0.445 317 G N 4.421 113.232 108.800 0.020 0.000 2.417 317 G HA2 0.776 4.736 3.960 -0.000 0.000 0.334 317 G HA3 0.776 4.736 3.960 -0.000 0.000 0.334 317 G C -0.776 174.124 174.900 -0.001 0.000 1.150 317 G CA -0.450 44.645 45.100 -0.008 0.000 0.923 317 G HN 0.436 nan 8.290 nan 0.000 0.485 318 M N 0.003 119.589 119.600 -0.022 0.000 2.562 318 M HA 0.411 4.890 4.480 -0.000 0.000 0.281 318 M C -0.479 175.809 176.300 -0.020 0.000 1.195 318 M CA -0.902 54.394 55.300 -0.006 0.000 0.888 318 M CB 0.946 33.548 32.600 0.003 0.000 1.731 318 M HN 0.579 nan 8.290 nan 0.000 0.493 319 S N -0.141 115.558 115.700 -0.002 0.000 2.559 319 S HA 0.448 4.917 4.470 -0.000 0.000 0.226 319 S C 0.439 175.042 174.600 0.005 0.000 1.000 319 S CA 0.386 58.584 58.200 -0.004 0.000 0.948 319 S CB -0.310 62.896 63.200 0.011 0.000 0.870 319 S HN 1.261 nan 8.310 nan 0.000 0.497 320 S N 0.075 115.781 115.700 0.010 0.000 2.625 320 S HA 0.610 5.080 4.470 -0.000 0.000 0.271 320 S C 0.143 174.754 174.600 0.018 0.000 1.161 320 S CA -0.788 57.420 58.200 0.014 0.000 0.820 320 S CB 0.994 64.205 63.200 0.018 0.000 1.137 320 S HN 0.070 nan 8.310 nan 0.000 0.470 321 L N 1.525 122.761 121.223 0.021 0.000 2.072 321 L HA 0.241 4.581 4.340 -0.000 0.000 0.205 321 L C 2.900 179.789 176.870 0.032 0.000 1.079 321 L CA 2.825 57.682 54.840 0.029 0.000 0.752 321 L CB -1.428 40.648 42.059 0.029 0.000 0.906 321 L HN 1.049 nan 8.230 nan 0.000 0.436 322 E N -0.677 119.538 120.200 0.026 0.000 2.160 322 E HA -0.303 4.047 4.350 -0.000 0.000 0.195 322 E C 2.015 178.632 176.600 0.028 0.000 0.991 322 E CA 1.849 58.265 56.400 0.025 0.000 0.810 322 E CB -0.831 28.881 29.700 0.020 0.000 0.742 322 E HN 0.804 nan 8.360 nan 0.000 0.466 323 Q N -1.288 118.529 119.800 0.029 0.000 2.123 323 Q HA 0.040 4.380 4.340 -0.000 0.000 0.199 323 Q C 2.411 178.435 176.000 0.041 0.000 0.966 323 Q CA 1.181 57.003 55.803 0.032 0.000 0.845 323 Q CB -0.095 28.661 28.738 0.030 0.000 0.907 323 Q HN 0.524 nan 8.270 nan 0.000 0.439 324 L N 1.503 122.753 121.223 0.044 0.000 2.005 324 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 324 L C 2.402 179.314 176.870 0.069 0.000 1.072 324 L CA 2.706 57.582 54.840 0.060 0.000 0.744 324 L CB -0.954 41.144 42.059 0.066 0.000 0.895 324 L HN 0.231 nan 8.230 nan 0.000 0.433 325 E N -0.493 119.743 120.200 0.060 0.000 2.085 325 E HA -0.358 3.991 4.350 -0.000 0.000 0.194 325 E C 2.163 178.792 176.600 0.047 0.000 0.994 325 E CA 1.759 58.192 56.400 0.055 0.000 0.801 325 E CB -1.021 28.705 29.700 0.043 0.000 0.743 325 E HN 0.783 nan 8.360 nan 0.000 0.453 326 Q N -0.115 119.711 119.800 0.042 0.000 2.096 326 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 326 Q C 2.041 178.068 176.000 0.045 0.000 0.982 326 Q CA 1.867 57.693 55.803 0.038 0.000 0.850 326 Q CB -0.058 28.700 28.738 0.033 0.000 0.901 326 Q HN 0.536 nan 8.270 nan 0.000 0.422 327 N N 0.136 118.868 118.700 0.054 0.000 2.173 327 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 327 N C 1.842 177.387 175.510 0.058 0.000 1.025 327 N CA 0.800 53.889 53.050 0.065 0.000 0.852 327 N CB -0.261 38.272 38.487 0.076 0.000 0.998 327 N HN 0.242 nan 8.380 nan 0.000 0.427 328 L N 0.925 122.187 121.223 0.065 0.000 2.127 328 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 328 L C 2.328 179.214 176.870 0.027 0.000 1.089 328 L CA 0.994 55.870 54.840 0.061 0.000 0.757 328 L CB -0.412 41.709 42.059 0.104 0.000 0.899 328 L HN 0.127 nan 8.230 nan 0.000 0.434 329 A N 0.018 122.855 122.820 0.027 0.000 1.858 329 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 329 A C 2.545 180.129 177.584 0.000 0.000 1.190 329 A CA 1.699 53.745 52.037 0.015 0.000 0.617 329 A CB -0.819 18.195 19.000 0.024 0.000 0.827 329 A HN 0.386 nan 8.150 nan 0.000 0.443 330 A N -0.171 122.656 122.820 0.012 0.000 1.978 330 A HA 0.105 4.424 4.320 -0.000 0.000 0.220 330 A C 2.465 180.015 177.584 -0.057 0.000 1.170 330 A CA 2.188 54.236 52.037 0.019 0.000 0.636 330 A CB -0.996 18.040 19.000 0.060 0.000 0.810 330 A HN 1.118 nan 8.150 nan 0.000 0.448 331 A N -0.102 122.617 122.820 -0.168 0.000 1.908 331 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 331 A C 1.898 179.199 177.584 -0.473 0.000 1.181 331 A CA 1.754 53.436 52.037 -0.592 0.000 0.627 331 A CB -0.494 18.210 19.000 -0.493 0.000 0.818 331 A HN 0.653 nan 8.150 nan 0.000 0.445 332 E N 0.045 120.132 120.200 -0.189 0.000 2.371 332 E HA -0.001 4.348 4.350 -0.000 0.000 0.194 332 E C 0.269 176.865 176.600 -0.008 0.000 1.012 332 E CA -0.109 56.237 56.400 -0.090 0.000 0.860 332 E CB 0.046 29.720 29.700 -0.044 0.000 0.811 332 E HN 0.699 nan 8.360 nan 0.000 0.502 333 E N 0.583 120.792 120.200 0.014 0.000 2.438 333 E HA 0.108 4.458 4.350 -0.000 0.000 0.261 333 E C 0.449 177.137 176.600 0.146 0.000 1.103 333 E CA -0.123 56.316 56.400 0.066 0.000 0.959 333 E CB 0.557 30.298 29.700 0.068 0.000 0.958 333 E HN 0.126 nan 8.360 nan 0.000 0.447 334 G N 1.518 110.346 108.800 0.047 0.000 2.535 334 G HA2 0.287 4.246 3.960 -0.000 0.000 0.282 334 G HA3 0.287 4.246 3.960 -0.000 0.000 0.282 334 G C -2.302 172.343 174.900 -0.426 0.000 1.350 334 G CA -0.889 44.118 45.100 -0.156 0.000 1.039 334 G HN 0.337 nan 8.290 nan 0.000 0.509 335 P HA 0.258 nan 4.420 nan 0.000 0.274 335 P C -0.445 176.924 177.300 0.115 0.000 1.260 335 P CA -0.257 62.618 63.100 -0.375 0.000 0.793 335 P CB 0.852 32.337 31.700 -0.359 0.000 1.048 336 L N -0.056 121.405 121.223 0.398 0.000 2.334 336 L HA 0.349 4.689 4.340 -0.000 0.000 0.272 336 L C 0.991 177.992 176.870 0.217 0.000 1.020 336 L CA -1.158 53.851 54.840 0.281 0.000 0.812 336 L CB 0.632 42.797 42.059 0.178 0.000 1.264 336 L HN 0.264 nan 8.230 nan 0.000 0.439 337 E N 1.765 122.124 120.200 0.264 0.000 2.437 337 E HA -0.009 4.340 4.350 -0.000 0.000 0.263 337 E C -1.692 174.971 176.600 0.106 0.000 1.030 337 E CA -1.242 55.249 56.400 0.152 0.000 0.934 337 E CB 0.615 30.399 29.700 0.140 0.000 0.943 337 E HN 0.330 nan 8.360 nan 0.000 0.444 338 P HA -0.131 nan 4.420 nan 0.000 0.218 338 P C 0.961 178.295 177.300 0.056 0.000 1.149 338 P CA 1.575 64.711 63.100 0.060 0.000 0.817 338 P CB 0.192 31.927 31.700 0.060 0.000 0.785 339 A N -0.615 122.239 122.820 0.058 0.000 1.972 339 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 339 A C 2.293 179.901 177.584 0.040 0.000 1.169 339 A CA 1.585 53.651 52.037 0.048 0.000 0.635 339 A CB -1.582 17.445 19.000 0.045 0.000 0.810 339 A HN 0.065 nan 8.150 nan 0.000 0.446 340 V N -0.679 119.270 119.914 0.058 0.000 2.407 340 V HA -0.167 3.952 4.120 -0.000 0.000 0.245 340 V C 2.540 178.673 176.094 0.066 0.000 1.041 340 V CA 1.706 64.015 62.300 0.015 0.000 1.040 340 V CB -0.483 31.367 31.823 0.044 0.000 0.671 340 V HN 0.357 nan 8.190 nan 0.000 0.455 341 V N 0.364 120.339 119.914 0.102 0.000 2.392 341 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 341 V C 2.252 178.457 176.094 0.185 0.000 1.059 341 V CA 2.118 64.523 62.300 0.174 0.000 1.051 341 V CB -0.698 31.095 31.823 -0.050 0.000 0.658 341 V HN 0.576 nan 8.190 nan 0.000 0.455 342 D N 0.386 120.847 120.400 0.101 0.000 2.144 342 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 342 D C 2.229 178.559 176.300 0.051 0.000 0.984 342 D CA 1.596 55.645 54.000 0.081 0.000 0.834 342 D CB -0.210 40.626 40.800 0.059 0.000 0.955 342 D HN 0.468 nan 8.370 nan 0.000 0.465 343 A N 0.283 123.107 122.820 0.006 0.000 1.898 343 A HA -0.127 4.192 4.320 -0.000 0.000 0.216 343 A C 2.015 179.548 177.584 -0.085 0.000 1.181 343 A CA 0.753 52.747 52.037 -0.071 0.000 0.620 343 A CB -0.860 18.048 19.000 -0.155 0.000 0.819 343 A HN 0.077 nan 8.150 nan 0.000 0.442 344 F N 0.505 120.414 119.950 -0.067 0.000 2.095 344 F HA -0.198 4.328 4.527 -0.001 0.000 0.298 344 F C 2.236 177.959 175.800 -0.129 0.000 1.104 344 F CA 1.763 59.671 58.000 -0.154 0.000 1.232 344 F CB -0.776 38.074 39.000 -0.251 0.000 0.987 344 F HN 0.292 nan 8.300 nan 0.000 0.475 345 N N 0.052 118.838 118.700 0.144 0.000 2.104 345 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 345 N C 2.039 177.425 175.510 -0.208 0.000 1.024 345 N CA 1.913 54.963 53.050 -0.000 0.000 0.853 345 N CB -0.467 38.038 38.487 0.030 0.000 1.008 345 N HN 0.390 nan 8.380 nan 0.000 0.424 346 Q N -0.091 119.661 119.800 -0.080 0.000 2.124 346 Q HA 0.095 4.435 4.340 -0.000 0.000 0.202 346 Q C 2.261 178.245 176.000 -0.026 0.000 0.977 346 Q CA 1.783 57.565 55.803 -0.035 0.000 0.850 346 Q CB -1.173 27.571 28.738 0.010 0.000 0.901 346 Q HN 0.568 nan 8.270 nan 0.000 0.429 347 A N -0.178 122.630 122.820 -0.020 0.000 1.929 347 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 347 A C 2.095 179.685 177.584 0.010 0.000 1.176 347 A CA 1.371 53.399 52.037 -0.015 0.000 0.628 347 A CB -0.872 18.113 19.000 -0.026 0.000 0.816 347 A HN 0.896 nan 8.150 nan 0.000 0.444 348 W N 0.601 121.809 121.300 -0.153 0.000 2.355 348 W HA -0.242 4.418 4.660 -0.000 0.000 0.309 348 W C 1.773 178.277 176.519 -0.025 0.000 1.206 348 W CA 1.837 59.097 57.345 -0.142 0.000 1.284 348 W CB -0.622 28.731 29.460 -0.177 0.000 1.145 348 W HN 0.631 nan 8.180 nan 0.000 0.502 349 H N 0.280 119.160 119.070 -0.317 0.000 2.457 349 H HA -0.202 4.353 4.556 -0.000 0.000 0.297 349 H C 2.176 177.304 175.328 -0.332 0.000 1.092 349 H CA 1.204 56.998 56.048 -0.424 0.000 1.309 349 H CB -0.077 29.581 29.762 -0.173 0.000 1.382 349 H HN 0.099 nan 8.280 nan 0.000 0.535 350 L N 0.751 121.908 121.223 -0.111 0.000 2.056 350 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 350 L C 2.237 178.997 176.870 -0.182 0.000 1.078 350 L CA 1.288 56.052 54.840 -0.127 0.000 0.749 350 L CB -0.121 41.907 42.059 -0.052 0.000 0.901 350 L HN 0.301 nan 8.230 nan 0.000 0.433 351 V N -4.634 115.127 119.914 -0.254 0.000 3.578 351 V HA 0.382 4.501 4.120 -0.000 0.000 0.290 351 V C 2.107 177.952 176.094 -0.415 0.000 1.376 351 V CA 0.549 62.656 62.300 -0.321 0.000 1.083 351 V CB -0.529 31.000 31.823 -0.490 0.000 0.911 351 V HN 0.210 nan 8.190 nan 0.000 0.433 352 A N 2.047 124.495 122.820 -0.620 0.000 1.940 352 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 352 A C 2.064 179.452 177.584 -0.327 0.000 1.176 352 A CA 2.400 53.917 52.037 -0.866 0.000 0.631 352 A CB -1.109 17.168 19.000 -1.206 0.000 0.814 352 A HN 1.039 nan 8.150 nan 0.000 0.446 353 H N -2.149 116.765 119.070 -0.260 0.000 2.456 353 H HA 0.273 4.828 4.556 -0.000 0.000 0.296 353 H C 1.281 176.582 175.328 -0.044 0.000 1.079 353 H CA 1.560 57.531 56.048 -0.128 0.000 1.322 353 H CB -0.267 29.414 29.762 -0.136 0.000 1.388 353 H HN 0.455 nan 8.280 nan 0.000 0.538 354 E N 1.211 120.943 120.200 -0.781 0.000 2.496 354 E HA 0.259 4.609 4.350 -0.000 0.000 0.202 354 E C -0.126 176.420 176.600 -0.089 0.000 1.021 354 E CA 0.098 56.247 56.400 -0.418 0.000 1.015 354 E CB -0.925 28.480 29.700 -0.490 0.000 1.102 354 E HN 0.624 nan 8.360 nan 0.000 0.452 355 C N 2.743 122.027 119.300 -0.027 0.000 2.527 355 C HA 0.640 5.100 4.460 -0.000 0.000 0.396 355 C C -2.030 173.027 174.990 0.110 0.000 1.289 355 C CA -1.941 57.161 59.018 0.141 0.000 2.047 355 C CB 0.696 28.598 27.740 0.270 0.000 2.568 355 C HN 0.484 nan 8.230 nan 0.000 0.573 356 P HA 0.157 nan 4.420 nan 0.000 0.271 356 P C -0.712 176.592 177.300 0.007 0.000 1.216 356 P CA 0.049 63.145 63.100 -0.006 0.000 0.776 356 P CB 0.457 32.100 31.700 -0.095 0.000 0.881 357 N N 1.365 119.983 118.700 -0.137 0.000 2.492 357 N HA -0.033 4.707 4.740 -0.000 0.000 0.260 357 N C 1.007 176.401 175.510 -0.192 0.000 1.215 357 N CA -0.045 52.815 53.050 -0.317 0.000 0.923 357 N CB -0.087 37.847 38.487 -0.921 0.000 1.092 357 N HN 0.528 nan 8.380 nan 0.000 0.448 358 Y N 0.228 120.533 120.300 0.007 0.000 2.529 358 Y HA 0.234 4.783 4.550 -0.000 0.000 0.290 358 Y C -0.174 175.901 175.900 0.292 0.000 1.177 358 Y CA -0.588 57.635 58.100 0.205 0.000 1.305 358 Y CB -0.519 38.133 38.460 0.320 0.000 1.047 358 Y HN 0.324 nan 8.280 nan 0.000 0.522 359 F N -0.743 119.079 119.950 -0.213 0.000 2.565 359 F HA 0.789 5.316 4.527 -0.000 0.000 0.313 359 F C -0.266 175.473 175.800 -0.102 0.000 1.091 359 F CA -2.097 55.795 58.000 -0.181 0.000 0.915 359 F CB 1.368 40.125 39.000 -0.404 0.000 1.208 359 F HN -0.331 nan 8.300 nan 0.000 0.453 360 R N 0.000 120.522 120.500 0.037 0.000 2.786 360 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 360 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 360 R CB 0.000 30.255 30.300 -0.075 0.000 0.687 360 R HN 0.000 nan 8.270 nan 0.000 0.535