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 3lsi_1_B DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWACAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPF 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.266 176.300 -0.057 0.000 1.140 43 M CA 0.000 55.241 55.300 -0.099 0.000 0.988 43 M CB 0.000 32.320 32.600 -0.467 0.000 1.302 44 D N 3.970 124.375 120.400 0.009 0.000 2.362 44 D HA 0.210 4.856 4.640 0.010 0.000 0.238 44 D C 1.180 177.423 176.300 -0.095 0.000 1.212 44 D CA -0.009 53.911 54.000 -0.134 0.000 0.902 44 D CB 0.859 41.441 40.800 -0.363 0.000 1.180 44 D HN 0.628 nan 8.370 nan 0.000 0.445 45 I N -2.503 117.999 120.570 -0.114 0.000 4.057 45 I HA 0.197 4.373 4.170 0.010 0.000 0.334 45 I C 0.400 176.510 176.117 -0.011 0.000 1.308 45 I CA 0.094 61.392 61.300 -0.004 0.000 1.125 45 I CB -0.259 37.750 38.000 0.015 0.000 1.034 45 I HN -0.047 nan 8.210 nan 0.000 0.401 46 K N 1.749 122.017 120.400 -0.220 0.000 2.323 46 K HA 0.496 4.822 4.320 0.010 0.000 0.259 46 K C -2.022 174.305 176.600 -0.456 0.000 0.947 46 K CA -0.509 55.670 56.287 -0.180 0.000 0.819 46 K CB 1.626 34.056 32.500 -0.117 0.000 1.109 46 K HN 0.013 nan 8.250 nan 0.000 0.429 47 Y N 0.800 121.095 120.300 -0.008 0.000 2.634 47 Y HA 0.221 4.777 4.550 0.010 0.000 0.340 47 Y C 1.150 177.029 175.900 -0.034 0.000 1.058 47 Y CA -0.721 57.364 58.100 -0.025 0.000 1.081 47 Y CB 1.555 40.000 38.460 -0.025 0.000 1.295 47 Y HN 0.515 nan 8.280 nan 0.000 0.487 48 D N 0.044 120.531 120.400 0.145 0.000 2.103 48 D HA 0.025 4.670 4.640 0.010 0.000 0.199 48 D C -0.302 176.008 176.300 0.016 0.000 0.978 48 D CA 1.442 55.511 54.000 0.116 0.000 0.829 48 D CB 0.243 41.181 40.800 0.231 0.000 0.981 48 D HN 0.098 nan 8.370 nan 0.000 0.464 49 V N 1.024 120.940 119.914 0.003 0.000 2.709 49 V HA 0.392 4.518 4.120 0.010 0.000 0.308 49 V C -0.357 175.659 176.094 -0.131 0.000 1.062 49 V CA -1.042 61.170 62.300 -0.145 0.000 0.901 49 V CB 2.543 34.258 31.823 -0.180 0.000 1.003 49 V HN -0.012 nan 8.190 nan 0.000 0.425 50 V N 2.729 122.526 119.914 -0.195 0.000 2.495 50 V HA 0.733 4.858 4.120 0.010 0.000 0.298 50 V C -0.639 175.417 176.094 -0.064 0.000 1.031 50 V CA -0.641 61.609 62.300 -0.083 0.000 0.871 50 V CB 1.705 33.567 31.823 0.064 0.000 0.988 50 V HN 0.682 nan 8.190 nan 0.000 0.432 51 I N 4.287 124.840 120.570 -0.029 0.000 2.378 51 I HA 0.470 4.645 4.170 0.010 0.000 0.291 51 I C -0.472 175.677 176.117 0.054 0.000 0.992 51 I CA -0.904 60.367 61.300 -0.049 0.000 1.154 51 I CB 2.134 40.088 38.000 -0.077 0.000 1.315 51 I HN 0.440 nan 8.210 nan 0.000 0.448 52 V N 5.760 125.685 119.914 0.018 0.000 2.348 52 V HA 0.753 4.879 4.120 0.010 0.000 0.270 52 V C 0.508 176.607 176.094 0.009 0.000 1.037 52 V CA -0.262 62.065 62.300 0.046 0.000 0.872 52 V CB 0.449 32.272 31.823 0.000 0.000 1.002 52 V HN 1.067 nan 8.190 nan 0.000 0.464 53 G N 4.017 112.837 108.800 0.033 0.000 3.067 53 G HA2 -0.042 3.924 3.960 0.010 0.000 0.686 53 G HA3 -0.042 3.924 3.960 0.010 0.000 0.686 53 G C -0.008 174.903 174.900 0.018 0.000 1.119 53 G CA -0.254 44.855 45.100 0.015 0.000 0.790 53 G HN 1.271 nan 8.290 nan 0.000 0.605 54 S N 1.053 116.763 115.700 0.015 0.000 2.574 54 S HA 0.593 5.069 4.470 0.010 0.000 0.242 54 S C 1.342 175.940 174.600 -0.005 0.000 0.982 54 S CA 0.712 58.925 58.200 0.022 0.000 0.977 54 S CB 0.655 63.876 63.200 0.035 0.000 0.814 54 S HN 1.922 nan 8.310 nan 0.000 0.464 55 G N 2.754 111.544 108.800 -0.017 0.000 2.631 55 G HA2 0.375 4.341 3.960 0.010 0.000 0.271 55 G HA3 0.375 4.341 3.960 0.010 0.000 0.271 55 G C -1.135 173.735 174.900 -0.050 0.000 1.302 55 G CA -1.245 43.827 45.100 -0.047 0.000 1.002 55 G HN 0.231 nan 8.290 nan 0.000 0.519 56 P HA -0.104 nan 4.420 nan 0.000 0.218 56 P C 1.776 179.024 177.300 -0.086 0.000 1.148 56 P CA 0.921 63.968 63.100 -0.088 0.000 0.822 56 P CB 0.142 31.818 31.700 -0.040 0.000 0.784 57 I N -0.092 120.465 120.570 -0.022 0.000 2.277 57 I HA -0.040 4.136 4.170 0.010 0.000 0.243 57 I C 2.711 178.888 176.117 0.100 0.000 1.094 57 I CA 1.606 62.925 61.300 0.032 0.000 1.393 57 I CB -2.313 35.734 38.000 0.079 0.000 1.078 57 I HN 0.003 nan 8.210 nan 0.000 0.417 58 G N 0.411 109.251 108.800 0.066 0.000 2.469 58 G HA2 -0.263 3.702 3.960 0.010 0.000 0.219 58 G HA3 -0.263 3.702 3.960 0.010 0.000 0.219 58 G C 1.762 176.664 174.900 0.004 0.000 1.150 58 G CA 1.122 46.254 45.100 0.053 0.000 0.763 58 G HN 0.417 nan 8.290 nan 0.000 0.561 59 C N 0.661 119.932 119.300 -0.048 0.000 2.432 59 C HA 0.048 4.514 4.460 0.010 0.000 0.282 59 C C 3.166 178.029 174.990 -0.212 0.000 1.388 59 C CA 1.311 60.257 59.018 -0.121 0.000 1.777 59 C CB -1.001 26.708 27.740 -0.051 0.000 1.882 59 C HN 0.467 nan 8.230 nan 0.000 0.520 60 T N 0.060 114.513 114.554 -0.167 0.000 2.674 60 T HA -0.168 4.188 4.350 0.010 0.000 0.265 60 T C 1.459 176.002 174.700 -0.262 0.000 1.039 60 T CA 1.644 63.614 62.100 -0.216 0.000 1.150 60 T CB -0.432 68.325 68.868 -0.185 0.000 0.864 60 T HN 0.553 nan 8.240 nan 0.000 0.427 61 Y N 1.507 121.668 120.300 -0.230 0.000 2.181 61 Y HA -0.043 4.513 4.550 0.009 0.000 0.288 61 Y C 2.753 178.434 175.900 -0.365 0.000 1.146 61 Y CA 0.865 58.807 58.100 -0.263 0.000 1.164 61 Y CB -0.677 37.646 38.460 -0.228 0.000 0.982 61 Y HN 0.202 nan 8.280 nan 0.000 0.515 62 A N 0.161 122.786 122.820 -0.326 0.000 1.877 62 A HA -0.224 4.102 4.320 0.010 0.000 0.216 62 A C 2.297 179.289 177.584 -0.985 0.000 1.186 62 A CA 1.748 53.339 52.037 -0.744 0.000 0.620 62 A CB -0.758 17.534 19.000 -1.181 0.000 0.822 62 A HN 0.405 nan 8.150 nan 0.000 0.443 63 R N -0.298 119.694 120.500 -0.847 0.000 2.094 63 R HA -0.191 4.155 4.340 0.010 0.000 0.239 63 R C 2.097 178.184 176.300 -0.355 0.000 1.137 63 R CA 1.959 57.725 56.100 -0.556 0.000 0.943 63 R CB -0.304 29.693 30.300 -0.504 0.000 0.850 63 R HN 0.631 nan 8.270 nan 0.000 0.433 64 E N 0.192 120.216 120.200 -0.293 0.000 2.072 64 E HA -0.175 4.181 4.350 0.010 0.000 0.191 64 E C 2.125 178.648 176.600 -0.127 0.000 0.985 64 E CA 1.227 57.527 56.400 -0.168 0.000 0.801 64 E CB -0.028 29.570 29.700 -0.169 0.000 0.750 64 E HN 0.433 nan 8.360 nan 0.000 0.452 65 L N 0.281 121.397 121.223 -0.178 0.000 2.202 65 L HA -0.043 4.303 4.340 0.010 0.000 0.205 65 L C 2.492 179.395 176.870 0.055 0.000 1.083 65 L CA 0.249 55.027 54.840 -0.103 0.000 0.790 65 L CB -0.214 41.684 42.059 -0.268 0.000 0.942 65 L HN -0.051 nan 8.230 nan 0.000 0.452 66 V N 0.559 120.418 119.914 -0.092 0.000 2.358 66 V HA -0.162 3.964 4.120 0.010 0.000 0.246 66 V C 2.628 178.743 176.094 0.036 0.000 1.047 66 V CA 1.999 64.292 62.300 -0.012 0.000 1.035 66 V CB -1.204 30.544 31.823 -0.124 0.000 0.658 66 V HN 0.547 nan 8.190 nan 0.000 0.452 67 G N -0.360 108.433 108.800 -0.013 0.000 2.422 67 G HA2 -0.115 3.851 3.960 0.010 0.000 0.218 67 G HA3 -0.115 3.851 3.960 0.010 0.000 0.218 67 G C 1.511 176.442 174.900 0.053 0.000 1.140 67 G CA 0.788 45.901 45.100 0.020 0.000 0.775 67 G HN 0.622 nan 8.290 nan 0.000 0.545 68 A N -0.329 122.549 122.820 0.097 0.000 2.238 68 A HA 0.465 4.790 4.320 0.010 0.000 0.208 68 A C 1.971 179.597 177.584 0.070 0.000 1.177 68 A CA 1.276 53.395 52.037 0.137 0.000 0.804 68 A CB -0.464 18.702 19.000 0.276 0.000 0.823 68 A HN 1.553 nan 8.150 nan 0.000 0.482 69 G N -2.412 106.432 108.800 0.072 0.000 2.157 69 G HA2 -0.271 3.695 3.960 0.010 0.000 0.239 69 G HA3 -0.271 3.695 3.960 0.010 0.000 0.239 69 G C -0.044 174.802 174.900 -0.091 0.000 0.982 69 G CA 0.133 45.230 45.100 -0.005 0.000 0.650 69 G HN 0.403 nan 8.290 nan 0.000 0.527 70 Y N 0.507 120.809 120.300 0.004 0.000 2.397 70 Y HA 0.399 4.954 4.550 0.010 0.000 0.335 70 Y C 1.146 177.041 175.900 -0.008 0.000 1.213 70 Y CA 0.118 58.215 58.100 -0.004 0.000 1.391 70 Y CB 0.709 39.156 38.460 -0.021 0.000 1.293 70 Y HN 0.106 nan 8.280 nan 0.000 0.557 71 K N 2.937 123.410 120.400 0.122 0.000 2.315 71 K HA 0.379 4.704 4.320 0.010 0.000 0.291 71 K C -1.502 175.201 176.600 0.172 0.000 1.074 71 K CA -0.107 56.230 56.287 0.084 0.000 0.936 71 K CB -0.029 32.480 32.500 0.016 0.000 1.049 71 K HN 0.491 nan 8.250 nan 0.000 0.471 72 V N 3.212 123.208 119.914 0.138 0.000 2.513 72 V HA 0.612 4.737 4.120 0.010 0.000 0.299 72 V C -0.366 175.622 176.094 -0.178 0.000 1.035 72 V CA -0.893 61.444 62.300 0.063 0.000 0.889 72 V CB 1.503 33.416 31.823 0.149 0.000 0.988 72 V HN 0.885 nan 8.190 nan 0.000 0.440 73 A N 5.733 128.297 122.820 -0.425 0.000 2.355 73 A HA 0.938 5.264 4.320 0.010 0.000 0.317 73 A C -0.706 176.538 177.584 -0.568 0.000 1.094 73 A CA -0.615 50.936 52.037 -0.810 0.000 0.764 73 A CB 1.625 19.777 19.000 -1.413 0.000 1.230 73 A HN 0.927 nan 8.150 nan 0.000 0.448 74 M N 2.471 121.665 119.600 -0.677 0.000 2.395 74 M HA 0.770 5.256 4.480 0.010 0.000 0.307 74 M C -2.194 173.822 176.300 -0.473 0.000 1.091 74 M CA -0.429 54.676 55.300 -0.324 0.000 0.919 74 M CB 1.223 33.836 32.600 0.022 0.000 1.662 74 M HN 0.588 nan 8.290 nan 0.000 0.440 75 F N 2.055 121.995 119.950 -0.017 0.000 2.508 75 F HA 0.582 5.114 4.527 0.009 0.000 0.325 75 F C -0.180 175.613 175.800 -0.013 0.000 1.090 75 F CA -0.510 57.498 58.000 0.013 0.000 0.945 75 F CB 1.573 40.568 39.000 -0.009 0.000 1.156 75 F HN 0.478 nan 8.300 nan 0.000 0.463 76 D N 2.405 122.899 120.400 0.156 0.000 2.879 76 D HA 0.233 4.879 4.640 0.010 0.000 0.236 76 D C 0.497 176.809 176.300 0.020 0.000 1.171 76 D CA -0.349 53.684 54.000 0.056 0.000 0.868 76 D CB 2.584 43.397 40.800 0.022 0.000 1.598 76 D HN 0.655 nan 8.370 nan 0.000 0.497 77 I N 1.933 122.464 120.570 -0.064 0.000 2.493 77 I HA 0.024 4.200 4.170 0.010 0.000 0.254 77 I C 1.128 177.186 176.117 -0.098 0.000 1.160 77 I CA 0.890 62.102 61.300 -0.146 0.000 1.445 77 I CB 0.145 37.938 38.000 -0.345 0.000 1.086 77 I HN 0.338 nan 8.210 nan 0.000 0.433 78 G N -0.067 108.693 108.800 -0.066 0.000 2.537 78 G HA2 0.372 4.338 3.960 0.010 0.000 0.297 78 G HA3 0.372 4.338 3.960 0.010 0.000 0.297 78 G C -0.895 174.009 174.900 0.007 0.000 1.310 78 G CA -0.429 44.660 45.100 -0.018 0.000 1.027 78 G HN 0.310 nan 8.290 nan 0.000 0.505 79 E N -1.355 118.855 120.200 0.017 0.000 2.263 79 E HA 0.378 4.734 4.350 0.010 0.000 0.264 79 E C -0.412 176.198 176.600 0.018 0.000 0.923 79 E CA -0.677 55.736 56.400 0.022 0.000 0.802 79 E CB 2.496 32.214 29.700 0.031 0.000 1.228 79 E HN 0.264 nan 8.360 nan 0.000 0.417 80 I N 2.782 123.361 120.570 0.016 0.000 2.452 80 I HA 0.004 4.180 4.170 0.010 0.000 0.287 80 I C 0.244 176.376 176.117 0.026 0.000 1.079 80 I CA 0.400 61.709 61.300 0.016 0.000 1.387 80 I CB 0.204 38.210 38.000 0.009 0.000 1.404 80 I HN 0.629 nan 8.210 nan 0.000 0.522 81 D N 1.699 122.119 120.400 0.033 0.000 2.331 81 D HA -0.073 4.572 4.640 0.010 0.000 0.300 81 D C 1.232 177.569 176.300 0.063 0.000 1.090 81 D CA 0.017 54.045 54.000 0.047 0.000 0.905 81 D CB -0.267 40.564 40.800 0.051 0.000 1.600 81 D HN 0.273 nan 8.370 nan 0.000 0.511 82 S N 0.826 116.566 115.700 0.067 0.000 2.776 82 S HA 0.292 4.768 4.470 0.010 0.000 0.259 82 S C 1.266 175.922 174.600 0.092 0.000 0.992 82 S CA 0.968 59.223 58.200 0.092 0.000 1.005 82 S CB -1.430 61.819 63.200 0.082 0.000 0.779 82 S HN 0.875 nan 8.310 nan 0.000 0.548 83 G N 0.606 109.451 108.800 0.075 0.000 2.681 83 G HA2 -0.238 3.727 3.960 0.010 0.000 0.220 83 G HA3 -0.238 3.727 3.960 0.010 0.000 0.220 83 G C 0.318 175.244 174.900 0.043 0.000 1.353 83 G CA -0.228 44.910 45.100 0.064 0.000 0.872 83 G HN 0.317 nan 8.290 nan 0.000 0.557 84 L N -0.069 121.174 121.223 0.033 0.000 2.362 84 L HA 0.068 4.413 4.340 0.010 0.000 0.219 84 L C 1.549 178.424 176.870 0.008 0.000 1.134 84 L CA 1.107 55.956 54.840 0.015 0.000 0.807 84 L CB -0.331 41.733 42.059 0.009 0.000 0.927 84 L HN 0.339 nan 8.230 nan 0.000 0.447 85 K N 1.429 121.842 120.400 0.023 0.000 2.219 85 K HA 0.325 4.651 4.320 0.010 0.000 0.280 85 K C -0.269 176.342 176.600 0.019 0.000 1.104 85 K CA -0.179 56.118 56.287 0.016 0.000 0.925 85 K CB 0.680 33.204 32.500 0.040 0.000 1.261 85 K HN 0.068 nan 8.250 nan 0.000 0.445 86 I N 2.056 122.621 120.570 -0.007 0.000 2.598 86 I HA -0.036 4.140 4.170 0.010 0.000 0.284 86 I C 1.349 177.468 176.117 0.003 0.000 1.140 86 I CA 0.673 61.971 61.300 -0.004 0.000 1.420 86 I CB 0.569 38.557 38.000 -0.020 0.000 1.387 86 I HN 0.948 nan 8.210 nan 0.000 0.553 87 G N 4.265 113.074 108.800 0.015 0.000 2.148 87 G HA2 -0.199 3.766 3.960 0.010 0.000 0.254 87 G HA3 -0.199 3.766 3.960 0.010 0.000 0.254 87 G C 0.277 175.200 174.900 0.038 0.000 0.981 87 G CA 0.079 45.186 45.100 0.013 0.000 0.670 87 G HN 0.952 nan 8.290 nan 0.000 0.528 88 A N -0.478 122.383 122.820 0.068 0.000 2.246 88 A HA 0.671 4.996 4.320 0.010 0.000 0.291 88 A C 0.465 178.147 177.584 0.163 0.000 1.103 88 A CA -0.352 51.764 52.037 0.131 0.000 0.844 88 A CB 0.379 19.462 19.000 0.138 0.000 1.136 88 A HN 0.600 nan 8.150 nan 0.000 0.500 89 H N 0.273 119.454 119.070 0.185 0.000 2.767 89 H HA 0.145 4.706 4.556 0.009 0.000 0.316 89 H C 0.615 176.049 175.328 0.177 0.000 1.059 89 H CA 0.602 56.773 56.048 0.205 0.000 1.461 89 H CB 0.933 30.840 29.762 0.242 0.000 1.475 89 H HN 0.668 nan 8.280 nan 0.000 0.531 90 K N 3.377 123.946 120.400 0.281 0.000 2.365 90 K HA -0.096 4.230 4.320 0.010 0.000 0.199 90 K C 1.629 178.441 176.600 0.354 0.000 1.045 90 K CA 0.663 57.174 56.287 0.373 0.000 0.962 90 K CB 0.366 33.130 32.500 0.440 0.000 0.759 90 K HN 0.379 nan 8.250 nan 0.000 0.469 91 K N 0.817 121.317 120.400 0.167 0.000 2.486 91 K HA 0.011 4.337 4.320 0.010 0.000 0.194 91 K C 0.256 176.877 176.600 0.036 0.000 1.033 91 K CA 0.414 56.486 56.287 -0.358 0.000 1.004 91 K CB 0.266 32.243 32.500 -0.871 0.000 0.798 91 K HN 0.011 nan 8.250 nan 0.000 0.495 92 N N 1.638 120.464 118.700 0.210 0.000 2.843 92 N HA -0.018 4.728 4.740 0.010 0.000 0.284 92 N C -0.803 174.958 175.510 0.418 0.000 1.274 92 N CA 0.272 53.488 53.050 0.276 0.000 1.045 92 N CB 0.513 39.188 38.487 0.314 0.000 1.370 92 N HN 0.218 nan 8.380 nan 0.000 0.525 93 T N -4.353 110.432 114.554 0.385 0.000 2.918 93 T HA 0.353 4.709 4.350 0.010 0.000 0.286 93 T C 1.481 176.401 174.700 0.367 0.000 1.026 93 T CA -0.773 61.528 62.100 0.336 0.000 1.031 93 T CB 1.657 70.665 68.868 0.233 0.000 1.046 93 T HN -0.179 nan 8.240 nan 0.000 0.479 94 V N 1.265 121.330 119.914 0.252 0.000 2.343 94 V HA -0.101 4.024 4.120 0.010 0.000 0.247 94 V C 2.806 178.978 176.094 0.130 0.000 1.051 94 V CA 2.311 64.734 62.300 0.205 0.000 1.036 94 V CB -0.981 30.873 31.823 0.053 0.000 0.654 94 V HN 1.035 nan 8.190 nan 0.000 0.451 95 E N -0.283 119.939 120.200 0.037 0.000 2.077 95 E HA -0.212 4.144 4.350 0.010 0.000 0.193 95 E C 2.021 178.572 176.600 -0.082 0.000 0.989 95 E CA 1.626 57.987 56.400 -0.066 0.000 0.800 95 E CB -0.369 29.230 29.700 -0.168 0.000 0.746 95 E HN 0.657 nan 8.360 nan 0.000 0.452 96 Y N 0.818 121.190 120.300 0.119 0.000 2.293 96 Y HA -0.073 4.482 4.550 0.008 0.000 0.291 96 Y C 2.197 178.129 175.900 0.053 0.000 1.137 96 Y CA 1.363 59.523 58.100 0.100 0.000 1.202 96 Y CB -0.170 38.349 38.460 0.099 0.000 0.990 96 Y HN 0.185 nan 8.280 nan 0.000 0.537 97 Q N -0.326 119.595 119.800 0.202 0.000 2.378 97 Q HA -0.092 4.254 4.340 0.010 0.000 0.205 97 Q C 1.519 177.587 176.000 0.114 0.000 0.954 97 Q CA 0.722 56.601 55.803 0.127 0.000 0.901 97 Q CB 0.004 28.792 28.738 0.083 0.000 0.981 97 Q HN 0.448 nan 8.270 nan 0.000 0.483 98 K N 0.300 120.766 120.400 0.109 0.000 2.426 98 K HA 0.078 4.404 4.320 0.010 0.000 0.193 98 K C 0.232 176.873 176.600 0.069 0.000 1.028 98 K CA 0.261 56.592 56.287 0.074 0.000 1.047 98 K CB 0.506 33.037 32.500 0.051 0.000 0.821 98 K HN 0.077 nan 8.250 nan 0.000 0.513 99 N N 0.715 119.478 118.700 0.105 0.000 2.620 99 N HA 0.043 4.789 4.740 0.010 0.000 0.277 99 N C -0.030 175.588 175.510 0.180 0.000 1.726 99 N CA 0.058 53.178 53.050 0.117 0.000 0.840 99 N CB 0.817 39.364 38.487 0.101 0.000 1.379 99 N HN -0.021 nan 8.380 nan 0.000 0.506 100 I N 1.050 121.698 120.570 0.130 0.000 2.614 100 I HA -0.143 4.033 4.170 0.010 0.000 0.258 100 I C 1.536 177.713 176.117 0.100 0.000 1.189 100 I CA 1.413 62.779 61.300 0.110 0.000 1.462 100 I CB 0.173 38.189 38.000 0.028 0.000 1.092 100 I HN 0.118 nan 8.210 nan 0.000 0.442 101 D N 0.566 121.017 120.400 0.085 0.000 2.263 101 D HA -0.146 4.500 4.640 0.010 0.000 0.208 101 D C 1.852 178.201 176.300 0.082 0.000 0.971 101 D CA 0.716 54.754 54.000 0.063 0.000 0.867 101 D CB -0.036 40.794 40.800 0.050 0.000 0.929 101 D HN 0.309 nan 8.370 nan 0.000 0.492 102 K N 0.192 120.682 120.400 0.150 0.000 2.365 102 K HA -0.060 4.265 4.320 0.010 0.000 0.199 102 K C 1.768 178.450 176.600 0.136 0.000 1.045 102 K CA -0.028 56.362 56.287 0.173 0.000 0.962 102 K CB -0.521 32.148 32.500 0.281 0.000 0.759 102 K HN 0.199 nan 8.250 nan 0.000 0.469 103 F N 1.567 121.473 119.950 -0.074 0.000 2.293 103 F HA -0.160 4.373 4.527 0.010 0.000 0.300 103 F C 2.115 177.775 175.800 -0.233 0.000 1.086 103 F CA 0.461 58.269 58.000 -0.321 0.000 1.375 103 F CB -0.213 38.545 39.000 -0.403 0.000 1.045 103 F HN -0.183 nan 8.300 nan 0.000 0.516 104 V N 0.683 120.520 119.914 -0.128 0.000 2.380 104 V HA -0.389 3.737 4.120 0.010 0.000 0.251 104 V C 1.790 177.743 176.094 -0.235 0.000 1.063 104 V CA 2.876 65.062 62.300 -0.190 0.000 1.055 104 V CB -0.670 31.089 31.823 -0.108 0.000 0.657 104 V HN 0.511 nan 8.190 nan 0.000 0.455 105 N N -0.513 118.078 118.700 -0.182 0.000 2.188 105 N HA -0.122 4.623 4.740 0.010 0.000 0.184 105 N C 1.712 177.085 175.510 -0.228 0.000 1.018 105 N CA 1.439 54.402 53.050 -0.146 0.000 0.858 105 N CB -0.227 38.227 38.487 -0.055 0.000 0.989 105 N HN 0.445 nan 8.380 nan 0.000 0.426 106 V N 1.520 121.199 119.914 -0.392 0.000 2.295 106 V HA -0.222 3.904 4.120 0.010 0.000 0.246 106 V C 2.086 177.880 176.094 -0.499 0.000 1.049 106 V CA 1.479 63.483 62.300 -0.493 0.000 1.024 106 V CB -0.512 30.743 31.823 -0.947 0.000 0.648 106 V HN 0.304 nan 8.190 nan 0.000 0.447 107 I N -0.301 119.868 120.570 -0.669 0.000 2.179 107 I HA -0.326 3.850 4.170 0.010 0.000 0.242 107 I C 2.733 178.634 176.117 -0.359 0.000 1.088 107 I CA 1.732 62.662 61.300 -0.616 0.000 1.357 107 I CB -0.452 37.218 38.000 -0.549 0.000 1.051 107 I HN 0.360 nan 8.210 nan 0.000 0.409 108 Q N 0.482 120.134 119.800 -0.246 0.000 2.096 108 Q HA -0.172 4.174 4.340 0.010 0.000 0.204 108 Q C 2.362 178.305 176.000 -0.095 0.000 0.982 108 Q CA 1.711 57.435 55.803 -0.132 0.000 0.850 108 Q CB -0.509 28.175 28.738 -0.090 0.000 0.901 108 Q HN 0.662 nan 8.270 nan 0.000 0.422 109 G N 0.352 109.090 108.800 -0.103 0.000 2.422 109 G HA2 -0.292 3.673 3.960 0.010 0.000 0.218 109 G HA3 -0.292 3.673 3.960 0.010 0.000 0.218 109 G C 1.405 176.290 174.900 -0.026 0.000 1.146 109 G CA 0.731 45.798 45.100 -0.054 0.000 0.769 109 G HN 0.185 nan 8.290 nan 0.000 0.547 110 Q N -0.539 119.238 119.800 -0.038 0.000 2.398 110 Q HA 0.254 4.600 4.340 0.010 0.000 0.204 110 Q C 0.951 176.995 176.000 0.072 0.000 0.932 110 Q CA -0.057 55.773 55.803 0.044 0.000 0.916 110 Q CB -0.126 28.692 28.738 0.133 0.000 1.024 110 Q HN 0.381 nan 8.270 nan 0.000 0.504 111 L N 1.955 123.186 121.223 0.014 0.000 2.385 111 L HA 0.186 4.532 4.340 0.010 0.000 0.281 111 L C -0.494 176.412 176.870 0.060 0.000 1.106 111 L CA -0.242 54.627 54.840 0.049 0.000 0.856 111 L CB 0.430 42.495 42.059 0.010 0.000 1.186 111 L HN 0.127 nan 8.230 nan 0.000 0.453 112 M N 2.409 122.065 119.600 0.094 0.000 2.088 112 M HA 0.232 4.718 4.480 0.010 0.000 0.346 112 M C 0.241 176.601 176.300 0.101 0.000 1.111 112 M CA -0.421 54.935 55.300 0.093 0.000 1.017 112 M CB 1.084 33.756 32.600 0.120 0.000 1.568 112 M HN 0.373 nan 8.290 nan 0.000 0.445 113 S N 2.077 117.823 115.700 0.075 0.000 2.593 113 S HA 0.072 4.548 4.470 0.010 0.000 0.300 113 S C 1.721 176.379 174.600 0.096 0.000 1.267 113 S CA -0.434 57.811 58.200 0.074 0.000 1.065 113 S CB 0.574 63.803 63.200 0.047 0.000 0.807 113 S HN 0.534 nan 8.310 nan 0.000 0.499 114 V N 2.639 122.622 119.914 0.115 0.000 2.270 114 V HA -0.022 4.104 4.120 0.010 0.000 0.245 114 V C 1.270 177.394 176.094 0.048 0.000 1.043 114 V CA 1.585 63.951 62.300 0.110 0.000 1.014 114 V CB -0.113 31.815 31.823 0.175 0.000 0.645 114 V HN 0.796 nan 8.190 nan 0.000 0.447 115 S N -0.420 115.323 115.700 0.072 0.000 2.776 115 S HA 0.502 4.978 4.470 0.010 0.000 0.284 115 S C -1.056 173.557 174.600 0.021 0.000 1.160 115 S CA -0.486 57.719 58.200 0.009 0.000 1.051 115 S CB 1.385 64.561 63.200 -0.040 0.000 1.037 115 S HN 0.036 nan 8.310 nan 0.000 0.485 116 V N 8.133 128.048 119.914 0.001 0.000 2.333 116 V HA 0.506 4.632 4.120 0.010 0.000 0.274 116 V C -1.823 174.261 176.094 -0.017 0.000 1.028 116 V CA -1.705 60.593 62.300 -0.004 0.000 0.851 116 V CB 1.134 32.956 31.823 -0.002 0.000 1.000 116 V HN 0.701 nan 8.190 nan 0.000 0.456 117 P HA 0.175 nan 4.420 nan 0.000 0.274 117 P C -0.135 177.146 177.300 -0.032 0.000 1.256 117 P CA -0.184 62.902 63.100 -0.024 0.000 0.795 117 P CB 0.953 32.638 31.700 -0.024 0.000 1.038 118 V N 2.032 121.929 119.914 -0.027 0.000 2.599 118 V HA -0.035 4.091 4.120 0.010 0.000 0.300 118 V C 1.316 177.368 176.094 -0.070 0.000 1.034 118 V CA 0.144 62.423 62.300 -0.035 0.000 1.115 118 V CB -0.708 31.114 31.823 -0.002 0.000 0.934 118 V HN 0.619 nan 8.190 nan 0.000 0.485 119 N N 3.561 122.212 118.700 -0.083 0.000 2.497 119 N HA 0.082 4.828 4.740 0.010 0.000 0.271 119 N C 0.555 175.932 175.510 -0.222 0.000 1.142 119 N CA 0.393 53.375 53.050 -0.114 0.000 0.965 119 N CB 1.500 39.942 38.487 -0.075 0.000 1.077 119 N HN 0.862 nan 8.380 nan 0.000 0.462 120 T N 0.914 115.240 114.554 -0.379 0.000 3.252 120 T HA 0.268 4.624 4.350 0.010 0.000 0.286 120 T C 0.806 175.121 174.700 -0.642 0.000 1.013 120 T CA -0.476 61.074 62.100 -0.916 0.000 0.914 120 T CB -0.340 68.005 68.868 -0.872 0.000 1.131 120 T HN 0.283 nan 8.240 nan 0.000 0.529 121 L N 1.996 123.070 121.223 -0.247 0.000 2.453 121 L HA 0.329 4.675 4.340 0.010 0.000 0.272 121 L C 0.126 177.040 176.870 0.072 0.000 1.182 121 L CA -0.650 54.140 54.840 -0.083 0.000 0.858 121 L CB 0.898 42.940 42.059 -0.029 0.000 1.120 121 L HN 0.103 nan 8.230 nan 0.000 0.474 122 V N 4.887 124.860 119.914 0.097 0.000 2.432 122 V HA 0.139 4.265 4.120 0.010 0.000 0.271 122 V C 0.205 176.372 176.094 0.121 0.000 1.046 122 V CA -0.376 62.039 62.300 0.190 0.000 0.945 122 V CB 1.490 33.404 31.823 0.152 0.000 0.992 122 V HN 0.413 nan 8.190 nan 0.000 0.471 123 V N 5.475 125.463 119.914 0.124 0.000 2.293 123 V HA 0.324 4.449 4.120 0.010 0.000 0.275 123 V C 0.219 176.348 176.094 0.058 0.000 1.021 123 V CA -0.478 61.869 62.300 0.079 0.000 0.815 123 V CB 1.283 33.154 31.823 0.081 0.000 1.025 123 V HN 1.050 nan 8.190 nan 0.000 0.448 124 D N 1.945 122.371 120.400 0.043 0.000 2.462 124 D HA -0.001 4.645 4.640 0.010 0.000 0.221 124 D C 1.192 177.502 176.300 0.018 0.000 1.173 124 D CA 0.282 54.297 54.000 0.024 0.000 0.831 124 D CB 0.418 41.231 40.800 0.021 0.000 1.001 124 D HN 0.549 nan 8.370 nan 0.000 0.499 125 T N -1.806 112.762 114.554 0.024 0.000 3.215 125 T HA 0.325 4.680 4.350 0.010 0.000 0.271 125 T C 0.679 175.393 174.700 0.023 0.000 1.012 125 T CA -0.581 61.531 62.100 0.020 0.000 0.899 125 T CB -0.344 68.536 68.868 0.021 0.000 1.089 125 T HN 0.017 nan 8.240 nan 0.000 0.552 126 L N 2.008 123.247 121.223 0.026 0.000 2.483 126 L HA 0.287 4.633 4.340 0.010 0.000 0.275 126 L C 1.149 178.031 176.870 0.021 0.000 1.220 126 L CA -0.478 54.380 54.840 0.031 0.000 0.833 126 L CB 0.449 42.529 42.059 0.036 0.000 1.102 126 L HN 0.274 nan 8.230 nan 0.000 0.490 127 S N 2.005 117.720 115.700 0.025 0.000 2.568 127 S HA 0.111 4.587 4.470 0.010 0.000 0.282 127 S C -1.413 173.194 174.600 0.012 0.000 1.338 127 S CA -1.053 57.158 58.200 0.019 0.000 1.045 127 S CB 0.885 64.100 63.200 0.025 0.000 0.873 127 S HN 0.397 nan 8.310 nan 0.000 0.516 128 P HA -0.107 nan 4.420 nan 0.000 0.218 128 P C 1.422 178.720 177.300 -0.003 0.000 1.146 128 P CA 1.557 64.652 63.100 -0.007 0.000 0.813 128 P CB -0.230 31.466 31.700 -0.007 0.000 0.778 129 T N -5.360 109.202 114.554 0.012 0.000 3.023 129 T HA 0.053 4.408 4.350 0.010 0.000 0.266 129 T C 1.056 175.785 174.700 0.048 0.000 1.093 129 T CA 0.217 62.332 62.100 0.025 0.000 1.129 129 T CB -0.663 68.223 68.868 0.030 0.000 0.899 129 T HN -0.088 nan 8.240 nan 0.000 0.491 130 S N 1.346 117.079 115.700 0.055 0.000 2.564 130 S HA 0.260 4.735 4.470 0.010 0.000 0.278 130 S C -0.524 174.151 174.600 0.124 0.000 1.333 130 S CA -0.987 57.274 58.200 0.102 0.000 1.048 130 S CB 0.087 63.344 63.200 0.095 0.000 0.900 130 S HN 0.595 nan 8.310 nan 0.000 0.505 131 W N 3.355 124.664 121.300 0.014 0.000 2.322 131 W HA 0.151 4.815 4.660 0.007 0.000 0.328 131 W C 0.298 176.832 176.519 0.024 0.000 1.395 131 W CA 0.296 57.649 57.345 0.012 0.000 1.267 131 W CB 0.191 29.657 29.460 0.011 0.000 1.259 131 W HN 0.538 nan 8.180 nan 0.000 0.560 132 Q N 5.594 125.038 119.800 -0.594 0.000 2.304 132 Q HA 0.564 4.910 4.340 0.010 0.000 0.270 132 Q C -0.543 174.955 176.000 -0.836 0.000 1.035 132 Q CA -0.834 54.715 55.803 -0.423 0.000 0.781 132 Q CB 1.602 30.195 28.738 -0.243 0.000 1.261 132 Q HN 0.615 nan 8.270 nan 0.000 0.444 133 A N 2.484 125.031 122.820 -0.455 0.000 2.466 133 A HA 0.203 4.529 4.320 0.010 0.000 0.238 133 A C 0.496 177.894 177.584 -0.310 0.000 1.074 133 A CA 0.145 51.988 52.037 -0.323 0.000 0.774 133 A CB 0.578 19.723 19.000 0.241 0.000 1.015 133 A HN 0.884 nan 8.150 nan 0.000 0.498 134 S N -0.740 114.812 115.700 -0.247 0.000 2.517 134 S HA 0.150 4.626 4.470 0.010 0.000 0.214 134 S C 0.761 175.254 174.600 -0.178 0.000 0.991 134 S CA 0.731 58.811 58.200 -0.200 0.000 0.906 134 S CB -0.039 63.066 63.200 -0.158 0.000 0.789 134 S HN 1.148 nan 8.310 nan 0.000 0.513 135 T N -1.289 113.195 114.554 -0.116 0.000 2.883 135 T HA 0.630 4.986 4.350 0.010 0.000 0.296 135 T C -0.947 173.704 174.700 -0.082 0.000 1.117 135 T CA -0.718 61.316 62.100 -0.110 0.000 1.006 135 T CB 0.718 69.621 68.868 0.058 0.000 1.191 135 T HN -0.093 nan 8.240 nan 0.000 0.508 136 F N 3.190 123.235 119.950 0.158 0.000 2.652 136 F HA 0.375 4.908 4.527 0.010 0.000 0.352 136 F C 0.415 176.271 175.800 0.095 0.000 1.259 136 F CA -1.822 56.229 58.000 0.086 0.000 1.249 136 F CB -1.087 37.930 39.000 0.028 0.000 1.628 136 F HN 0.559 nan 8.300 nan 0.000 0.654 137 F N -0.884 119.171 119.950 0.176 0.000 2.368 137 F HA 0.625 5.159 4.527 0.012 0.000 0.308 137 F C -0.097 175.777 175.800 0.123 0.000 1.198 137 F CA -1.678 56.402 58.000 0.132 0.000 1.130 137 F CB -0.119 38.949 39.000 0.114 0.000 1.300 137 F HN -0.196 nan 8.300 nan 0.000 0.537 138 V N 2.734 122.763 119.914 0.193 0.000 2.415 138 V HA 0.265 4.390 4.120 0.010 0.000 0.267 138 V C 0.122 176.209 176.094 -0.011 0.000 1.042 138 V CA -0.079 62.254 62.300 0.055 0.000 1.000 138 V CB -0.562 31.325 31.823 0.106 0.000 1.015 138 V HN 0.677 nan 8.190 nan 0.000 0.478 139 R N 4.044 124.438 120.500 -0.177 0.000 2.711 139 R HA 0.486 4.832 4.340 0.010 0.000 0.284 139 R C 0.319 176.581 176.300 -0.063 0.000 0.968 139 R CA -0.774 55.221 56.100 -0.175 0.000 0.924 139 R CB 1.024 31.113 30.300 -0.352 0.000 1.162 139 R HN 0.719 nan 8.270 nan 0.000 0.465 140 N N 1.049 119.737 118.700 -0.020 0.000 2.735 140 N HA -0.182 4.564 4.740 0.010 0.000 0.248 140 N C 0.360 175.866 175.510 -0.006 0.000 1.083 140 N CA 1.455 54.498 53.050 -0.012 0.000 0.703 140 N CB -1.232 37.242 38.487 -0.022 0.000 1.005 140 N HN 1.072 nan 8.380 nan 0.000 0.550 141 G N -1.836 106.965 108.800 0.002 0.000 2.148 141 G HA2 -0.324 3.642 3.960 0.010 0.000 0.254 141 G HA3 -0.324 3.642 3.960 0.010 0.000 0.254 141 G C 0.333 175.236 174.900 0.005 0.000 0.981 141 G CA 0.888 45.992 45.100 0.007 0.000 0.670 141 G HN 1.257 nan 8.290 nan 0.000 0.528 142 S N -0.761 114.936 115.700 -0.004 0.000 2.624 142 S HA 0.537 5.012 4.470 0.010 0.000 0.263 142 S C 0.096 174.695 174.600 -0.002 0.000 1.287 142 S CA -0.052 58.143 58.200 -0.009 0.000 0.990 142 S CB 1.766 64.952 63.200 -0.023 0.000 0.950 142 S HN 0.655 nan 8.310 nan 0.000 0.561 143 N N 1.640 120.332 118.700 -0.012 0.000 2.546 143 N HA 0.372 5.118 4.740 0.010 0.000 0.238 143 N C -1.751 173.753 175.510 -0.009 0.000 0.984 143 N CA -2.536 50.502 53.050 -0.020 0.000 0.935 143 N CB 1.228 39.678 38.487 -0.061 0.000 1.122 143 N HN 0.329 nan 8.380 nan 0.000 0.510 144 P HA -0.068 nan 4.420 nan 0.000 0.230 144 P C 0.258 177.587 177.300 0.048 0.000 1.158 144 P CA 0.914 64.037 63.100 0.039 0.000 0.769 144 P CB 0.551 32.288 31.700 0.062 0.000 0.807 145 E N -0.208 120.012 120.200 0.034 0.000 2.358 145 E HA -0.086 4.269 4.350 0.010 0.000 0.195 145 E C 0.912 177.532 176.600 0.034 0.000 1.010 145 E CA 0.499 56.946 56.400 0.078 0.000 0.856 145 E CB -0.082 29.648 29.700 0.050 0.000 0.795 145 E HN 0.312 nan 8.360 nan 0.000 0.504 146 Q N 2.232 122.014 119.800 -0.030 0.000 2.314 146 Q HA 0.032 4.378 4.340 0.010 0.000 0.257 146 Q C -0.795 175.212 176.000 0.012 0.000 0.975 146 Q CA -0.242 55.535 55.803 -0.044 0.000 0.933 146 Q CB 0.827 29.525 28.738 -0.067 0.000 1.195 146 Q HN -0.209 nan 8.270 nan 0.000 0.426 147 D N 6.012 126.437 120.400 0.040 0.000 2.382 147 D HA 0.041 4.687 4.640 0.010 0.000 0.259 147 D C -1.661 174.651 176.300 0.020 0.000 1.224 147 D CA -1.785 52.239 54.000 0.040 0.000 0.894 147 D CB 1.284 42.120 40.800 0.060 0.000 1.127 147 D HN 0.453 nan 8.370 nan 0.000 0.487 148 P HA -0.078 nan 4.420 nan 0.000 0.225 148 P C 1.238 178.535 177.300 -0.005 0.000 1.148 148 P CA 0.652 63.747 63.100 -0.008 0.000 0.779 148 P CB 0.353 32.037 31.700 -0.026 0.000 0.780 149 L N -1.253 119.971 121.223 0.002 0.000 2.607 149 L HA 0.200 4.546 4.340 0.010 0.000 0.228 149 L C 1.506 178.382 176.870 0.010 0.000 1.123 149 L CA 0.210 55.050 54.840 0.001 0.000 0.890 149 L CB -0.027 42.030 42.059 -0.004 0.000 1.103 149 L HN -0.153 nan 8.230 nan 0.000 0.468 150 R N -0.248 120.266 120.500 0.025 0.000 2.698 150 R HA 0.211 4.557 4.340 0.010 0.000 0.422 150 R C -0.381 175.963 176.300 0.074 0.000 1.073 150 R CA -0.261 55.866 56.100 0.043 0.000 1.054 150 R CB 0.342 30.672 30.300 0.050 0.000 1.373 150 R HN 0.039 nan 8.270 nan 0.000 0.593 151 N N 0.657 119.379 118.700 0.037 0.000 2.459 151 N HA 0.356 5.102 4.740 0.010 0.000 0.288 151 N C -0.651 174.772 175.510 -0.144 0.000 1.186 151 N CA -0.611 52.443 53.050 0.006 0.000 0.917 151 N CB 1.171 39.659 38.487 0.002 0.000 1.219 151 N HN 0.072 nan 8.380 nan 0.000 0.525 152 L N 2.020 122.995 121.223 -0.413 0.000 2.407 152 L HA 0.220 4.566 4.340 0.010 0.000 0.261 152 L C 1.469 178.150 176.870 -0.315 0.000 1.108 152 L CA -0.312 54.186 54.840 -0.570 0.000 0.995 152 L CB 0.350 41.715 42.059 -1.157 0.000 1.349 152 L HN 0.622 nan 8.230 nan 0.000 0.423 153 S N -0.072 115.536 115.700 -0.154 0.000 2.419 153 S HA -0.114 4.362 4.470 0.010 0.000 0.233 153 S C 1.784 176.344 174.600 -0.067 0.000 1.016 153 S CA 0.953 59.108 58.200 -0.074 0.000 0.974 153 S CB -0.168 63.004 63.200 -0.048 0.000 0.786 153 S HN 0.646 nan 8.310 nan 0.000 0.492 154 G N 0.420 109.160 108.800 -0.099 0.000 2.712 154 G HA2 0.093 4.058 3.960 0.010 0.000 0.212 154 G HA3 0.093 4.058 3.960 0.010 0.000 0.212 154 G C 0.580 175.450 174.900 -0.050 0.000 1.142 154 G CA -0.294 44.765 45.100 -0.068 0.000 0.789 154 G HN 0.372 nan 8.290 nan 0.000 0.535 155 Q N 0.530 120.275 119.800 -0.092 0.000 2.330 155 Q HA 0.493 4.838 4.340 0.010 0.000 0.279 155 Q C -0.119 175.919 176.000 0.062 0.000 1.024 155 Q CA 0.382 56.164 55.803 -0.034 0.000 0.900 155 Q CB 1.377 30.055 28.738 -0.102 0.000 1.221 155 Q HN 0.295 nan 8.270 nan 0.000 0.396 156 A N 1.791 124.668 122.820 0.095 0.000 2.612 156 A HA 0.683 5.008 4.320 0.010 0.000 0.293 156 A C -1.002 176.674 177.584 0.153 0.000 1.075 156 A CA -0.520 51.587 52.037 0.118 0.000 0.680 156 A CB 1.162 20.216 19.000 0.091 0.000 1.279 156 A HN 0.475 nan 8.150 nan 0.000 0.411 157 V N -1.939 118.083 119.914 0.179 0.000 3.046 157 V HA 0.959 5.085 4.120 0.010 0.000 0.316 157 V C -0.381 175.820 176.094 0.179 0.000 1.104 157 V CA -0.566 61.857 62.300 0.206 0.000 1.006 157 V CB 1.685 33.690 31.823 0.303 0.000 1.058 157 V HN 0.915 nan 8.190 nan 0.000 0.440 158 T N 2.533 117.186 114.554 0.165 0.000 2.809 158 T HA 0.550 4.906 4.350 0.010 0.000 0.284 158 T C -0.312 174.426 174.700 0.063 0.000 0.992 158 T CA -0.447 61.735 62.100 0.137 0.000 0.957 158 T CB 0.891 69.854 68.868 0.157 0.000 0.942 158 T HN 0.751 nan 8.240 nan 0.000 0.439 159 R N 2.792 123.320 120.500 0.046 0.000 2.423 159 R HA 0.596 4.942 4.340 0.010 0.000 0.293 159 R C -0.534 175.768 176.300 0.002 0.000 1.196 159 R CA -0.578 55.516 56.100 -0.010 0.000 1.262 159 R CB 0.639 30.914 30.300 -0.042 0.000 1.116 159 R HN 0.523 nan 8.270 nan 0.000 0.566 160 V N -1.839 118.067 119.914 -0.014 0.000 3.216 160 V HA 0.448 4.574 4.120 0.010 0.000 0.302 160 V C -0.126 175.953 176.094 -0.025 0.000 1.286 160 V CA -1.154 61.140 62.300 -0.011 0.000 1.048 160 V CB 1.958 33.773 31.823 -0.012 0.000 1.081 160 V HN 0.127 nan 8.190 nan 0.000 0.442 161 V N 2.645 122.551 119.914 -0.013 0.000 2.529 161 V HA 0.540 4.665 4.120 0.010 0.000 0.292 161 V C 1.659 177.737 176.094 -0.026 0.000 1.028 161 V CA 1.814 64.108 62.300 -0.010 0.000 1.074 161 V CB 0.105 31.929 31.823 0.002 0.000 0.958 161 V HN 2.086 nan 8.190 nan 0.000 0.481 162 G N 3.425 112.206 108.800 -0.032 0.000 2.195 162 G HA2 -0.010 3.956 3.960 0.010 0.000 0.246 162 G HA3 -0.010 3.956 3.960 0.010 0.000 0.246 162 G C 0.997 175.829 174.900 -0.113 0.000 0.984 162 G CA 0.297 45.361 45.100 -0.060 0.000 0.633 162 G HN 2.112 nan 8.290 nan 0.000 0.525 163 G N -0.045 108.694 108.800 -0.102 0.000 2.582 163 G HA2 -0.270 3.696 3.960 0.010 0.000 0.288 163 G HA3 -0.270 3.696 3.960 0.010 0.000 0.288 163 G C 1.153 175.919 174.900 -0.222 0.000 1.247 163 G CA 1.204 46.237 45.100 -0.112 0.000 0.972 163 G HN 1.090 nan 8.290 nan 0.000 0.557 164 M N 1.562 121.050 119.600 -0.187 0.000 2.476 164 M HA 0.000 4.486 4.480 0.010 0.000 0.262 164 M C 2.745 178.835 176.300 -0.351 0.000 1.079 164 M CA 1.748 56.896 55.300 -0.253 0.000 1.104 164 M CB -0.195 32.428 32.600 0.039 0.000 1.409 164 M HN 0.753 nan 8.290 nan 0.000 0.467 165 S N -0.352 115.092 115.700 -0.427 0.000 2.547 165 S HA -0.089 4.387 4.470 0.010 0.000 0.235 165 S C 1.698 176.122 174.600 -0.292 0.000 0.980 165 S CA 1.320 59.127 58.200 -0.654 0.000 0.941 165 S CB -0.973 61.867 63.200 -0.599 0.000 0.763 165 S HN 0.590 nan 8.310 nan 0.000 0.532 166 T N -0.554 113.787 114.554 -0.355 0.000 3.055 166 T HA 0.007 4.363 4.350 0.010 0.000 0.265 166 T C 1.286 175.730 174.700 -0.426 0.000 1.111 166 T CA 0.892 62.789 62.100 -0.338 0.000 1.118 166 T CB -0.729 68.007 68.868 -0.221 0.000 0.909 166 T HN 0.931 nan 8.240 nan 0.000 0.501 167 H N -1.917 117.066 119.070 -0.145 0.000 3.367 167 H HA 0.249 4.812 4.556 0.012 0.000 0.257 167 H C 0.330 175.810 175.328 0.253 0.000 1.201 167 H CA -1.313 54.764 56.048 0.050 0.000 1.102 167 H CB -0.436 29.395 29.762 0.116 0.000 1.656 167 H HN 0.467 nan 8.280 nan 0.000 0.662 168 W N 1.720 123.100 121.300 0.134 0.000 2.034 168 W HA 0.550 5.215 4.660 0.008 0.000 0.357 168 W C 0.316 176.871 176.519 0.061 0.000 1.326 168 W CA -0.495 56.939 57.345 0.148 0.000 1.318 168 W CB 0.028 29.566 29.460 0.129 0.000 1.193 168 W HN 0.006 nan 8.180 nan 0.000 0.620 169 A N 0.861 123.535 122.820 -0.244 0.000 2.307 169 A HA 0.306 4.631 4.320 0.010 0.000 0.218 169 A C 1.253 178.408 177.584 -0.716 0.000 1.228 169 A CA 0.539 52.248 52.037 -0.547 0.000 0.857 169 A CB -1.011 17.803 19.000 -0.310 0.000 0.897 169 A HN 0.967 nan 8.150 nan 0.000 0.495 170 C N -2.066 116.415 119.300 -1.364 0.000 4.326 170 C HA -0.171 4.295 4.460 0.010 0.000 0.284 170 C C 1.287 175.839 174.990 -0.729 0.000 1.419 170 C CA -0.265 57.784 59.018 -1.615 0.000 1.920 170 C CB -3.015 24.242 27.740 -0.804 0.000 1.306 170 C HN 1.123 nan 8.230 nan 0.000 0.786 171 A N 1.071 123.653 122.820 -0.396 0.000 2.404 171 A HA 0.551 4.876 4.320 0.010 0.000 0.273 171 A C 0.784 178.300 177.584 -0.113 0.000 1.144 171 A CA 1.079 53.027 52.037 -0.147 0.000 0.806 171 A CB 0.200 19.194 19.000 -0.011 0.000 1.080 171 A HN 1.388 nan 8.150 nan 0.000 0.509 172 T N 1.534 116.034 114.554 -0.090 0.000 3.504 172 T HA 0.517 4.873 4.350 0.010 0.000 0.286 172 T C -2.754 171.909 174.700 -0.062 0.000 1.530 172 T CA -1.412 60.660 62.100 -0.046 0.000 1.652 172 T CB 0.681 69.539 68.868 -0.017 0.000 0.895 172 T HN 0.451 nan 8.240 nan 0.000 0.674 173 P HA 0.407 nan 4.420 nan 0.000 0.281 173 P C -0.208 176.958 177.300 -0.225 0.000 1.249 173 P CA -0.656 62.356 63.100 -0.147 0.000 0.810 173 P CB 1.207 32.796 31.700 -0.185 0.000 1.008 174 R N 1.001 121.277 120.500 -0.374 0.000 2.582 174 R HA 0.369 4.715 4.340 0.010 0.000 0.271 174 R C 0.046 176.234 176.300 -0.187 0.000 1.078 174 R CA -0.296 55.381 56.100 -0.705 0.000 1.127 174 R CB 0.139 29.888 30.300 -0.919 0.000 1.038 174 R HN 0.385 nan 8.270 nan 0.000 0.500 175 F N 1.918 121.633 119.950 -0.392 0.000 2.394 175 F HA 0.081 4.613 4.527 0.009 0.000 0.340 175 F C 0.965 176.576 175.800 -0.315 0.000 1.105 175 F CA -1.615 56.183 58.000 -0.336 0.000 1.124 175 F CB 0.478 39.267 39.000 -0.353 0.000 1.145 175 F HN 0.546 nan 8.300 nan 0.000 0.505 176 D N 2.642 122.967 120.400 -0.125 0.000 2.414 176 D HA 0.137 4.783 4.640 0.010 0.000 0.251 176 D C 1.025 177.236 176.300 -0.150 0.000 1.252 176 D CA -0.434 53.492 54.000 -0.122 0.000 0.999 176 D CB 0.634 41.375 40.800 -0.097 0.000 1.093 176 D HN 0.471 nan 8.370 nan 0.000 0.515 177 R N -0.265 120.175 120.500 -0.100 0.000 2.103 177 R HA -0.212 4.134 4.340 0.010 0.000 0.242 177 R C 2.089 178.333 176.300 -0.095 0.000 1.142 177 R CA 1.864 57.913 56.100 -0.086 0.000 0.960 177 R CB -0.411 29.875 30.300 -0.023 0.000 0.858 177 R HN 0.670 nan 8.270 nan 0.000 0.439 178 E N 0.924 121.066 120.200 -0.096 0.000 2.267 178 E HA -0.212 4.144 4.350 0.010 0.000 0.197 178 E C 1.459 177.948 176.600 -0.186 0.000 0.998 178 E CA 1.200 57.550 56.400 -0.083 0.000 0.830 178 E CB 0.204 29.914 29.700 0.015 0.000 0.751 178 E HN 0.416 nan 8.360 nan 0.000 0.491 179 Q N -0.644 118.943 119.800 -0.354 0.000 2.319 179 Q HA 0.149 4.495 4.340 0.010 0.000 0.209 179 Q C 0.290 176.192 176.000 -0.163 0.000 0.884 179 Q CA -0.132 55.401 55.803 -0.451 0.000 0.938 179 Q CB 0.726 28.865 28.738 -0.998 0.000 1.098 179 Q HN -0.041 nan 8.270 nan 0.000 0.517 180 R N 1.963 122.406 120.500 -0.095 0.000 2.589 180 R HA 0.346 4.692 4.340 0.010 0.000 0.293 180 R C -2.600 173.686 176.300 -0.024 0.000 0.963 180 R CA -2.067 53.980 56.100 -0.088 0.000 0.905 180 R CB 1.235 31.299 30.300 -0.393 0.000 1.144 180 R HN -0.123 nan 8.270 nan 0.000 0.459 181 P HA 0.122 nan 4.420 nan 0.000 0.278 181 P C -0.608 176.857 177.300 0.275 0.000 1.238 181 P CA -0.292 62.897 63.100 0.148 0.000 0.794 181 P CB 0.841 32.624 31.700 0.139 0.000 0.955 182 L N 2.739 124.093 121.223 0.218 0.000 2.453 182 L HA 0.109 4.455 4.340 0.010 0.000 0.272 182 L C 1.719 178.739 176.870 0.251 0.000 1.182 182 L CA -0.076 54.954 54.840 0.317 0.000 0.858 182 L CB 0.022 42.308 42.059 0.378 0.000 1.120 182 L HN 0.360 nan 8.230 nan 0.000 0.474 183 L N 3.479 124.873 121.223 0.286 0.000 2.609 183 L HA 0.226 4.571 4.340 0.010 0.000 0.230 183 L C -0.239 176.778 176.870 0.245 0.000 1.087 183 L CA 0.117 55.019 54.840 0.102 0.000 0.874 183 L CB 0.698 42.616 42.059 -0.235 0.000 1.114 183 L HN 0.341 nan 8.230 nan 0.000 0.488 184 V N 1.104 121.187 119.914 0.282 0.000 2.638 184 V HA 0.284 4.409 4.120 0.010 0.000 0.306 184 V C -0.461 175.737 176.094 0.173 0.000 1.052 184 V CA -1.011 61.404 62.300 0.192 0.000 0.885 184 V CB 2.046 33.929 31.823 0.100 0.000 0.999 184 V HN 0.095 nan 8.190 nan 0.000 0.424 185 K N 1.791 122.184 120.400 -0.012 0.000 2.118 185 K HA 0.430 4.756 4.320 0.010 0.000 0.267 185 K C -0.405 176.172 176.600 -0.038 0.000 0.991 185 K CA -0.386 55.852 56.287 -0.080 0.000 0.916 185 K CB 1.083 33.365 32.500 -0.363 0.000 1.041 185 K HN 0.648 nan 8.250 nan 0.000 0.455 186 D N 0.606 121.004 120.400 -0.003 0.000 2.772 186 D HA -0.161 4.485 4.640 0.010 0.000 0.233 186 D C -0.936 175.373 176.300 0.014 0.000 1.143 186 D CA 1.441 55.442 54.000 0.002 0.000 0.700 186 D CB -0.730 40.057 40.800 -0.023 0.000 1.076 186 D HN 0.760 nan 8.370 nan 0.000 0.430 187 D N -1.492 118.929 120.400 0.035 0.000 2.491 187 D HA 0.374 5.020 4.640 0.010 0.000 0.232 187 D C 0.828 177.166 176.300 0.063 0.000 1.334 187 D CA 0.214 54.238 54.000 0.040 0.000 0.909 187 D CB 0.325 41.143 40.800 0.030 0.000 1.513 187 D HN -0.003 nan 8.370 nan 0.000 0.514 188 A N 2.267 125.125 122.820 0.063 0.000 1.930 188 A HA -0.136 4.190 4.320 0.010 0.000 0.217 188 A C 1.653 179.286 177.584 0.080 0.000 1.175 188 A CA 1.337 53.421 52.037 0.079 0.000 0.627 188 A CB 0.016 19.054 19.000 0.065 0.000 0.815 188 A HN 0.430 nan 8.150 nan 0.000 0.443 189 D N 0.139 120.576 120.400 0.062 0.000 2.117 189 D HA -0.037 4.609 4.640 0.010 0.000 0.198 189 D C 2.236 178.575 176.300 0.065 0.000 0.982 189 D CA 1.528 55.564 54.000 0.059 0.000 0.828 189 D CB -0.409 40.417 40.800 0.043 0.000 0.967 189 D HN 0.414 nan 8.370 nan 0.000 0.464 190 A N 0.722 123.578 122.820 0.059 0.000 1.930 190 A HA -0.195 4.131 4.320 0.010 0.000 0.217 190 A C 1.954 179.582 177.584 0.074 0.000 1.175 190 A CA 1.955 54.023 52.037 0.053 0.000 0.627 190 A CB -0.621 18.403 19.000 0.040 0.000 0.815 190 A HN 0.195 nan 8.150 nan 0.000 0.443 191 D N -0.113 120.353 120.400 0.110 0.000 2.104 191 D HA -0.177 4.469 4.640 0.010 0.000 0.194 191 D C 1.253 177.704 176.300 0.253 0.000 0.994 191 D CA 1.648 55.756 54.000 0.180 0.000 0.830 191 D CB -0.125 40.809 40.800 0.224 0.000 0.959 191 D HN 0.349 nan 8.370 nan 0.000 0.452 192 D N -0.145 120.377 120.400 0.204 0.000 2.149 192 D HA -0.145 4.500 4.640 0.010 0.000 0.198 192 D C 1.994 178.404 176.300 0.184 0.000 0.990 192 D CA 1.377 55.501 54.000 0.207 0.000 0.839 192 D CB -0.562 40.316 40.800 0.130 0.000 0.948 192 D HN 0.350 nan 8.370 nan 0.000 0.460 193 A N 0.808 123.698 122.820 0.117 0.000 1.877 193 A HA -0.209 4.116 4.320 0.010 0.000 0.216 193 A C 2.173 179.787 177.584 0.050 0.000 1.186 193 A CA 1.929 54.011 52.037 0.076 0.000 0.620 193 A CB -0.595 18.433 19.000 0.046 0.000 0.822 193 A HN 0.161 nan 8.150 nan 0.000 0.443 194 E N -0.753 119.454 120.200 0.012 0.000 2.058 194 E HA -0.221 4.135 4.350 0.010 0.000 0.194 194 E C 1.684 178.200 176.600 -0.140 0.000 0.997 194 E CA 1.733 58.074 56.400 -0.098 0.000 0.801 194 E CB -0.516 29.086 29.700 -0.164 0.000 0.746 194 E HN 0.719 nan 8.360 nan 0.000 0.450 195 W N 0.607 121.874 121.300 -0.056 0.000 2.363 195 W HA -0.105 4.561 4.660 0.010 0.000 0.296 195 W C 2.128 178.633 176.519 -0.024 0.000 1.212 195 W CA 1.293 58.568 57.345 -0.117 0.000 1.260 195 W CB -0.326 29.108 29.460 -0.043 0.000 1.131 195 W HN 0.260 nan 8.180 nan 0.000 0.530 196 D N -0.160 120.404 120.400 0.273 0.000 2.149 196 D HA -0.179 4.467 4.640 0.010 0.000 0.201 196 D C 2.157 178.532 176.300 0.124 0.000 0.972 196 D CA 1.232 55.370 54.000 0.230 0.000 0.835 196 D CB -0.168 40.726 40.800 0.156 0.000 0.966 196 D HN -0.023 nan 8.370 nan 0.000 0.476 197 R N -0.210 120.313 120.500 0.039 0.000 2.073 197 R HA -0.074 4.272 4.340 0.010 0.000 0.234 197 R C 2.322 178.578 176.300 -0.072 0.000 1.134 197 R CA 1.139 57.224 56.100 -0.024 0.000 0.952 197 R CB -0.278 29.989 30.300 -0.055 0.000 0.850 197 R HN 0.261 nan 8.270 nan 0.000 0.433 198 L N -0.603 120.537 121.223 -0.138 0.000 2.072 198 L HA -0.145 4.201 4.340 0.010 0.000 0.205 198 L C 2.291 179.080 176.870 -0.134 0.000 1.079 198 L CA 0.976 55.680 54.840 -0.227 0.000 0.752 198 L CB -0.551 41.265 42.059 -0.404 0.000 0.906 198 L HN 0.181 nan 8.230 nan 0.000 0.436 199 Y N 0.460 120.762 120.300 0.004 0.000 2.224 199 Y HA -0.211 4.345 4.550 0.009 0.000 0.289 199 Y C 2.866 178.751 175.900 -0.026 0.000 1.146 199 Y CA 1.392 59.504 58.100 0.021 0.000 1.182 199 Y CB -1.076 37.428 38.460 0.072 0.000 0.983 199 Y HN 0.128 nan 8.280 nan 0.000 0.524 200 T N -0.419 114.210 114.554 0.125 0.000 2.788 200 T HA -0.212 4.144 4.350 0.010 0.000 0.268 200 T C 1.963 176.637 174.700 -0.043 0.000 1.044 200 T CA 1.729 63.855 62.100 0.044 0.000 1.139 200 T CB -0.123 68.763 68.868 0.029 0.000 0.867 200 T HN 0.233 nan 8.240 nan 0.000 0.454 201 K N 0.806 121.120 120.400 -0.144 0.000 2.076 201 K HA 0.133 4.459 4.320 0.010 0.000 0.204 201 K C 2.490 178.770 176.600 -0.533 0.000 1.051 201 K CA 0.907 56.981 56.287 -0.356 0.000 0.949 201 K CB -0.251 31.994 32.500 -0.425 0.000 0.726 201 K HN 0.241 nan 8.250 nan 0.000 0.443 202 A N 1.291 123.920 122.820 -0.318 0.000 1.902 202 A HA -0.185 4.140 4.320 0.010 0.000 0.217 202 A C 1.806 179.424 177.584 0.058 0.000 1.181 202 A CA 1.686 53.617 52.037 -0.176 0.000 0.623 202 A CB -0.479 18.530 19.000 0.015 0.000 0.818 202 A HN 0.454 nan 8.150 nan 0.000 0.443 203 E N 0.191 120.454 120.200 0.104 0.000 2.077 203 E HA -0.176 4.180 4.350 0.010 0.000 0.193 203 E C 2.379 179.073 176.600 0.156 0.000 0.989 203 E CA 1.617 58.116 56.400 0.165 0.000 0.800 203 E CB -0.196 29.570 29.700 0.110 0.000 0.746 203 E HN 0.805 nan 8.360 nan 0.000 0.452 204 S N -0.009 115.737 115.700 0.076 0.000 2.387 204 S HA -0.143 4.333 4.470 0.010 0.000 0.226 204 S C 1.930 176.674 174.600 0.240 0.000 1.026 204 S CA 0.475 58.749 58.200 0.123 0.000 0.972 204 S CB -0.407 62.842 63.200 0.083 0.000 0.814 204 S HN 0.186 nan 8.310 nan 0.000 0.477 205 Y N 0.833 121.142 120.300 0.015 0.000 2.151 205 Y HA 0.017 4.573 4.550 0.009 0.000 0.284 205 Y C 2.059 177.964 175.900 0.008 0.000 1.166 205 Y CA 0.201 58.270 58.100 -0.052 0.000 1.163 205 Y CB -1.121 37.227 38.460 -0.186 0.000 0.974 205 Y HN 0.320 nan 8.280 nan 0.000 0.511 206 F N 0.006 120.109 119.950 0.254 0.000 2.743 206 F HA 0.037 4.570 4.527 0.010 0.000 0.297 206 F C 0.834 176.746 175.800 0.186 0.000 1.131 206 F CA 0.268 58.409 58.000 0.235 0.000 1.426 206 F CB -0.236 38.924 39.000 0.267 0.000 1.116 206 F HN -0.001 nan 8.300 nan 0.000 0.583 207 Q N 0.648 120.644 119.800 0.327 0.000 2.470 207 Q HA -0.184 4.162 4.340 0.010 0.000 0.294 207 Q C 0.046 176.143 176.000 0.161 0.000 1.356 207 Q CA 0.713 56.633 55.803 0.196 0.000 0.805 207 Q CB -2.617 26.211 28.738 0.150 0.000 1.157 207 Q HN 0.200 nan 8.270 nan 0.000 0.431 208 T N 0.008 114.672 114.554 0.182 0.000 2.916 208 T HA 0.461 4.816 4.350 0.010 0.000 0.303 208 T C 0.758 175.500 174.700 0.070 0.000 1.025 208 T CA 0.597 62.768 62.100 0.119 0.000 1.142 208 T CB 1.288 70.236 68.868 0.132 0.000 0.947 208 T HN 0.496 nan 8.240 nan 0.000 0.544 209 G N 0.602 109.429 108.800 0.044 0.000 2.684 209 G HA2 0.543 4.509 3.960 0.010 0.000 0.290 209 G HA3 0.543 4.509 3.960 0.010 0.000 0.290 209 G C 0.056 174.979 174.900 0.038 0.000 1.425 209 G CA -0.608 44.511 45.100 0.031 0.000 0.822 209 G HN 0.621 nan 8.290 nan 0.000 0.482 210 T N -2.368 112.212 114.554 0.043 0.000 3.288 210 T HA 0.283 4.638 4.350 0.010 0.000 0.293 210 T C 0.112 174.862 174.700 0.084 0.000 1.008 210 T CA 0.487 62.627 62.100 0.067 0.000 0.929 210 T CB 0.369 69.276 68.868 0.065 0.000 1.152 210 T HN 0.576 nan 8.240 nan 0.000 0.517 211 D N 0.321 120.753 120.400 0.054 0.000 2.594 211 D HA 0.078 4.724 4.640 0.010 0.000 0.256 211 D C 1.012 177.299 176.300 -0.022 0.000 1.393 211 D CA -0.197 53.831 54.000 0.047 0.000 0.797 211 D CB -0.023 40.799 40.800 0.038 0.000 1.110 211 D HN 0.171 nan 8.370 nan 0.000 0.495 212 Q N -0.500 119.275 119.800 -0.040 0.000 2.364 212 Q HA 0.142 4.488 4.340 0.010 0.000 0.207 212 Q C 0.309 176.010 176.000 -0.497 0.000 0.970 212 Q CA 1.052 56.705 55.803 -0.249 0.000 0.888 212 Q CB -0.221 28.344 28.738 -0.288 0.000 0.951 212 Q HN 0.293 nan 8.270 nan 0.000 0.469 213 F N -0.126 119.696 119.950 -0.213 0.000 2.668 213 F HA 0.217 4.750 4.527 0.010 0.000 0.301 213 F C 1.205 176.909 175.800 -0.160 0.000 1.106 213 F CA -0.462 57.371 58.000 -0.278 0.000 1.289 213 F CB 0.275 38.976 39.000 -0.498 0.000 1.006 213 F HN 0.009 nan 8.300 nan 0.000 0.535 214 K N -0.060 120.363 120.400 0.038 0.000 2.365 214 K HA -0.044 4.281 4.320 0.010 0.000 0.199 214 K C 0.674 177.350 176.600 0.127 0.000 1.045 214 K CA 1.282 57.670 56.287 0.169 0.000 0.962 214 K CB -0.074 32.485 32.500 0.098 0.000 0.759 214 K HN 0.187 nan 8.250 nan 0.000 0.469 215 E N 1.458 121.620 120.200 -0.063 0.000 2.463 215 E HA 0.005 4.361 4.350 0.010 0.000 0.193 215 E C -0.154 176.494 176.600 0.079 0.000 1.041 215 E CA 0.004 56.268 56.400 -0.227 0.000 0.879 215 E CB 0.668 30.104 29.700 -0.439 0.000 0.997 215 E HN 0.242 nan 8.360 nan 0.000 0.478 216 S N 0.872 116.681 115.700 0.181 0.000 2.523 216 S HA 0.197 4.673 4.470 0.010 0.000 0.275 216 S C 1.259 175.977 174.600 0.197 0.000 1.281 216 S CA -0.510 57.799 58.200 0.181 0.000 1.050 216 S CB 0.532 63.874 63.200 0.237 0.000 0.937 216 S HN 0.083 nan 8.310 nan 0.000 0.492 217 I N 4.742 125.288 120.570 -0.039 0.000 2.252 217 I HA -0.125 4.051 4.170 0.010 0.000 0.245 217 I C 2.692 178.717 176.117 -0.154 0.000 1.102 217 I CA 0.949 62.013 61.300 -0.392 0.000 1.385 217 I CB -0.201 37.314 38.000 -0.807 0.000 1.064 217 I HN 0.702 nan 8.210 nan 0.000 0.414 218 R N -0.377 120.096 120.500 -0.045 0.000 2.081 218 R HA -0.236 4.109 4.340 0.010 0.000 0.235 218 R C 2.385 178.756 176.300 0.118 0.000 1.131 218 R CA 1.778 57.896 56.100 0.030 0.000 0.960 218 R CB -0.693 29.629 30.300 0.036 0.000 0.856 218 R HN 0.402 nan 8.270 nan 0.000 0.436 219 H N 1.287 120.401 119.070 0.075 0.000 2.290 219 H HA -0.083 4.479 4.556 0.009 0.000 0.298 219 H C 1.796 177.204 175.328 0.134 0.000 1.087 219 H CA 1.962 58.071 56.048 0.101 0.000 1.291 219 H CB -0.199 29.656 29.762 0.154 0.000 1.369 219 H HN 0.108 nan 8.280 nan 0.000 0.492 220 N N 0.094 118.866 118.700 0.121 0.000 2.142 220 N HA -0.134 4.612 4.740 0.010 0.000 0.186 220 N C 2.102 177.719 175.510 0.179 0.000 1.023 220 N CA 1.085 54.226 53.050 0.152 0.000 0.852 220 N CB -0.438 38.326 38.487 0.462 0.000 0.998 220 N HN 0.307 nan 8.380 nan 0.000 0.424 221 L N 1.357 122.738 121.223 0.264 0.000 1.990 221 L HA -0.150 4.196 4.340 0.010 0.000 0.213 221 L C 2.169 179.092 176.870 0.089 0.000 1.072 221 L CA 1.484 56.462 54.840 0.230 0.000 0.755 221 L CB -0.742 41.435 42.059 0.197 0.000 0.889 221 L HN -0.093 nan 8.230 nan 0.000 0.432 222 V N -0.799 119.139 119.914 0.039 0.000 2.307 222 V HA -0.240 3.886 4.120 0.010 0.000 0.245 222 V C 2.423 178.458 176.094 -0.100 0.000 1.045 222 V CA 1.608 63.902 62.300 -0.011 0.000 1.024 222 V CB -0.644 31.166 31.823 -0.021 0.000 0.651 222 V HN 0.521 nan 8.190 nan 0.000 0.449 223 L N 0.922 122.060 121.223 -0.142 0.000 2.017 223 L HA -0.131 4.214 4.340 0.010 0.000 0.208 223 L C 2.163 178.947 176.870 -0.143 0.000 1.073 223 L CA 2.018 56.749 54.840 -0.181 0.000 0.745 223 L CB -1.005 40.912 42.059 -0.236 0.000 0.894 223 L HN 0.296 nan 8.230 nan 0.000 0.432 224 N N -0.064 118.594 118.700 -0.070 0.000 2.142 224 N HA -0.198 4.548 4.740 0.010 0.000 0.186 224 N C 1.825 177.298 175.510 -0.061 0.000 1.023 224 N CA 1.310 54.334 53.050 -0.044 0.000 0.852 224 N CB -0.309 38.168 38.487 -0.016 0.000 0.998 224 N HN 0.290 nan 8.380 nan 0.000 0.424 225 K N 1.391 121.757 120.400 -0.056 0.000 2.026 225 K HA 0.057 4.383 4.320 0.010 0.000 0.208 225 K C 1.940 178.487 176.600 -0.088 0.000 1.048 225 K CA 0.921 57.180 56.287 -0.046 0.000 0.929 225 K CB -0.517 31.978 32.500 -0.008 0.000 0.713 225 K HN 0.115 nan 8.250 nan 0.000 0.439 226 L N 0.130 121.225 121.223 -0.214 0.000 2.083 226 L HA -0.171 4.174 4.340 0.010 0.000 0.209 226 L C 2.278 178.956 176.870 -0.319 0.000 1.083 226 L CA 1.699 56.291 54.840 -0.414 0.000 0.752 226 L CB -0.728 40.645 42.059 -1.142 0.000 0.899 226 L HN 0.260 nan 8.230 nan 0.000 0.433 227 T N -1.029 113.373 114.554 -0.254 0.000 2.746 227 T HA -0.220 4.135 4.350 0.010 0.000 0.267 227 T C 1.804 176.558 174.700 0.090 0.000 1.039 227 T CA 1.549 63.676 62.100 0.045 0.000 1.142 227 T CB -0.047 68.854 68.868 0.055 0.000 0.866 227 T HN 0.218 nan 8.240 nan 0.000 0.444 228 E N 0.835 121.047 120.200 0.020 0.000 2.072 228 E HA -0.078 4.278 4.350 0.010 0.000 0.190 228 E C 2.336 178.946 176.600 0.017 0.000 0.982 228 E CA 0.906 57.316 56.400 0.016 0.000 0.803 228 E CB -0.080 29.610 29.700 -0.018 0.000 0.755 228 E HN 0.286 nan 8.360 nan 0.000 0.453 229 E N -0.582 119.620 120.200 0.002 0.000 2.110 229 E HA -0.180 4.176 4.350 0.010 0.000 0.193 229 E C 1.682 178.179 176.600 -0.172 0.000 0.988 229 E CA 0.994 57.337 56.400 -0.095 0.000 0.804 229 E CB -0.226 29.394 29.700 -0.134 0.000 0.745 229 E HN 0.473 nan 8.360 nan 0.000 0.458 230 Y N 0.190 120.535 120.300 0.075 0.000 2.523 230 Y HA 0.083 4.639 4.550 0.009 0.000 0.279 230 Y C 0.686 176.639 175.900 0.089 0.000 1.139 230 Y CA 0.198 58.372 58.100 0.123 0.000 1.296 230 Y CB 0.244 38.865 38.460 0.267 0.000 1.045 230 Y HN -0.131 nan 8.280 nan 0.000 0.538 231 K N 0.220 120.713 120.400 0.156 0.000 3.148 231 K HA -0.258 4.067 4.320 0.010 0.000 0.267 231 K C 1.112 177.777 176.600 0.108 0.000 0.996 231 K CA 0.537 56.879 56.287 0.092 0.000 0.737 231 K CB -1.604 30.921 32.500 0.041 0.000 1.308 231 K HN 0.663 nan 8.250 nan 0.000 0.470 232 G N -0.182 108.703 108.800 0.141 0.000 2.228 232 G HA2 -0.444 3.522 3.960 0.010 0.000 0.270 232 G HA3 -0.444 3.522 3.960 0.010 0.000 0.270 232 G C 0.779 175.749 174.900 0.116 0.000 0.976 232 G CA 0.955 46.126 45.100 0.117 0.000 0.636 232 G HN 0.551 nan 8.290 nan 0.000 0.542 233 Q N -0.541 119.350 119.800 0.151 0.000 2.181 233 Q HA 0.018 4.363 4.340 0.010 0.000 0.205 233 Q C 1.523 177.596 176.000 0.121 0.000 0.980 233 Q CA 1.421 57.312 55.803 0.147 0.000 0.862 233 Q CB 0.048 28.910 28.738 0.206 0.000 0.905 233 Q HN 0.675 nan 8.270 nan 0.000 0.429 234 R N -0.202 120.370 120.500 0.120 0.000 2.707 234 R HA 0.340 4.686 4.340 0.010 0.000 0.272 234 R C -1.537 174.727 176.300 -0.060 0.000 1.011 234 R CA -0.738 55.324 56.100 -0.064 0.000 0.893 234 R CB 1.666 31.712 30.300 -0.423 0.000 1.233 234 R HN -0.050 nan 8.270 nan 0.000 0.464 235 D N 1.266 121.555 120.400 -0.184 0.000 2.248 235 D HA 0.441 5.087 4.640 0.010 0.000 0.246 235 D C -0.841 175.260 176.300 -0.332 0.000 1.027 235 D CA -0.042 53.906 54.000 -0.087 0.000 0.853 235 D CB 1.580 42.365 40.800 -0.024 0.000 1.243 235 D HN 0.131 nan 8.370 nan 0.000 0.462 236 F N 0.710 120.657 119.950 -0.006 0.000 2.561 236 F HA 0.390 4.922 4.527 0.009 0.000 0.321 236 F C 0.551 176.357 175.800 0.009 0.000 1.065 236 F CA -0.642 57.349 58.000 -0.015 0.000 0.934 236 F CB 1.916 40.903 39.000 -0.023 0.000 1.215 236 F HN 0.204 nan 8.300 nan 0.000 0.471 237 Q N 0.110 120.022 119.800 0.188 0.000 2.648 237 Q HA 0.349 4.695 4.340 0.010 0.000 0.300 237 Q C -1.569 174.534 176.000 0.172 0.000 0.954 237 Q CA -1.288 54.603 55.803 0.147 0.000 0.757 237 Q CB 1.837 30.633 28.738 0.095 0.000 1.482 237 Q HN 0.634 nan 8.270 nan 0.000 0.437 238 Q N 0.964 120.887 119.800 0.206 0.000 2.364 238 Q HA 0.230 4.576 4.340 0.010 0.000 0.267 238 Q C -0.514 175.570 176.000 0.140 0.000 0.999 238 Q CA -0.254 55.703 55.803 0.256 0.000 0.886 238 Q CB 0.524 29.409 28.738 0.245 0.000 1.243 238 Q HN 0.603 nan 8.270 nan 0.000 0.415 239 I N 6.400 127.033 120.570 0.105 0.000 2.821 239 I HA -0.078 4.098 4.170 0.010 0.000 0.294 239 I C -1.977 174.170 176.117 0.051 0.000 1.210 239 I CA -1.226 60.111 61.300 0.062 0.000 1.430 239 I CB 0.089 38.102 38.000 0.021 0.000 1.356 239 I HN 0.479 nan 8.210 nan 0.000 0.563 240 P HA 0.305 nan 4.420 nan 0.000 0.276 240 P C -0.926 176.379 177.300 0.007 0.000 1.243 240 P CA 0.014 63.128 63.100 0.024 0.000 0.768 240 P CB 0.591 32.292 31.700 0.002 0.000 0.856 241 L N 2.222 123.458 121.223 0.022 0.000 2.386 241 L HA 0.659 5.005 4.340 0.010 0.000 0.271 241 L C 0.184 177.057 176.870 0.005 0.000 0.993 241 L CA -1.151 53.697 54.840 0.014 0.000 0.819 241 L CB 2.182 44.309 42.059 0.114 0.000 1.294 241 L HN 0.240 nan 8.230 nan 0.000 0.414 242 A N 2.951 125.739 122.820 -0.053 0.000 2.666 242 A HA 0.786 5.112 4.320 0.010 0.000 0.312 242 A C -0.050 177.570 177.584 0.059 0.000 1.471 242 A CA 0.060 52.112 52.037 0.026 0.000 1.134 242 A CB -0.250 18.730 19.000 -0.032 0.000 1.129 242 A HN 0.786 nan 8.150 nan 0.000 0.539 243 A N 1.966 124.784 122.820 -0.004 0.000 2.594 243 A HA 0.733 5.059 4.320 0.010 0.000 0.296 243 A C -0.502 176.972 177.584 -0.183 0.000 1.056 243 A CA -0.463 51.465 52.037 -0.182 0.000 0.693 243 A CB 0.814 19.525 19.000 -0.483 0.000 1.278 243 A HN 0.640 nan 8.150 nan 0.000 0.408 244 T N 1.481 115.896 114.554 -0.232 0.000 2.841 244 T HA 0.499 4.855 4.350 0.010 0.000 0.285 244 T C -0.005 174.533 174.700 -0.270 0.000 0.991 244 T CA -0.430 61.557 62.100 -0.187 0.000 0.966 244 T CB 1.222 70.039 68.868 -0.085 0.000 0.962 244 T HN 0.729 nan 8.240 nan 0.000 0.438 245 R N 2.079 122.409 120.500 -0.283 0.000 2.491 245 R HA 0.290 4.635 4.340 0.010 0.000 0.283 245 R C 1.369 177.577 176.300 -0.153 0.000 1.072 245 R CA -0.259 55.662 56.100 -0.299 0.000 1.048 245 R CB 0.464 30.559 30.300 -0.343 0.000 0.983 245 R HN 0.710 nan 8.270 nan 0.000 0.450 246 R N 1.668 122.127 120.500 -0.067 0.000 2.225 246 R HA 0.120 4.466 4.340 0.010 0.000 0.194 246 R C -0.406 175.883 176.300 -0.018 0.000 0.957 246 R CA 0.786 56.888 56.100 0.004 0.000 1.042 246 R CB 0.393 30.767 30.300 0.124 0.000 1.004 246 R HN 0.676 nan 8.270 nan 0.000 0.509 247 S N -1.705 113.982 115.700 -0.021 0.000 2.661 247 S HA 0.379 4.855 4.470 0.010 0.000 0.268 247 S C -2.610 171.949 174.600 -0.069 0.000 1.162 247 S CA -1.156 57.023 58.200 -0.035 0.000 0.817 247 S CB 1.707 64.907 63.200 0.000 0.000 1.141 247 S HN -0.116 nan 8.310 nan 0.000 0.477 248 P HA 0.121 nan 4.420 nan 0.000 0.233 248 P C 0.896 178.155 177.300 -0.067 0.000 1.167 248 P CA 1.232 64.276 63.100 -0.093 0.000 0.770 248 P CB -0.183 31.477 31.700 -0.067 0.000 0.837 249 T N -6.020 108.528 114.554 -0.010 0.000 3.145 249 T HA 0.329 4.685 4.350 0.010 0.000 0.281 249 T C -0.284 174.471 174.700 0.093 0.000 1.003 249 T CA -0.370 61.746 62.100 0.028 0.000 0.901 249 T CB -0.643 68.258 68.868 0.055 0.000 1.112 249 T HN -0.128 nan 8.240 nan 0.000 0.535 250 F N 1.258 121.138 119.950 -0.116 0.000 2.574 250 F HA 0.647 5.180 4.527 0.010 0.000 0.313 250 F C -1.753 173.909 175.800 -0.229 0.000 1.130 250 F CA -1.039 56.887 58.000 -0.123 0.000 0.936 250 F CB 2.006 40.954 39.000 -0.087 0.000 1.219 250 F HN -0.105 nan 8.300 nan 0.000 0.445 251 V N 5.151 124.540 119.914 -0.876 0.000 2.483 251 V HA 0.268 4.394 4.120 0.010 0.000 0.297 251 V C -0.447 175.006 176.094 -1.069 0.000 1.027 251 V CA -0.842 60.914 62.300 -0.905 0.000 0.855 251 V CB 1.668 32.758 31.823 -1.222 0.000 0.995 251 V HN 0.733 nan 8.190 nan 0.000 0.424 252 E N 4.717 124.579 120.200 -0.562 0.000 1.932 252 E HA 0.126 4.482 4.350 0.010 0.000 0.275 252 E C -0.987 175.414 176.600 -0.331 0.000 1.159 252 E CA -0.539 55.700 56.400 -0.270 0.000 0.905 252 E CB 0.375 30.094 29.700 0.031 0.000 1.059 252 E HN 0.630 nan 8.360 nan 0.000 0.400 253 W N 2.888 124.057 121.300 -0.219 0.000 2.216 253 W HA 0.087 4.754 4.660 0.012 0.000 0.326 253 W C 0.684 177.212 176.519 0.016 0.000 1.319 253 W CA -0.544 56.659 57.345 -0.237 0.000 1.213 253 W CB 0.770 29.837 29.460 -0.654 0.000 1.171 253 W HN 0.307 nan 8.180 nan 0.000 0.557 254 S N 1.692 117.597 115.700 0.341 0.000 2.624 254 S HA 0.612 5.088 4.470 0.010 0.000 0.263 254 S C 0.175 175.227 174.600 0.753 0.000 1.287 254 S CA -0.593 57.889 58.200 0.470 0.000 0.990 254 S CB 1.188 64.683 63.200 0.492 0.000 0.950 254 S HN 0.523 nan 8.310 nan 0.000 0.561 255 S N -0.487 115.592 115.700 0.632 0.000 2.724 255 S HA 0.691 5.167 4.470 0.010 0.000 0.278 255 S C 0.783 175.573 174.600 0.316 0.000 1.190 255 S CA -0.329 58.172 58.200 0.502 0.000 0.860 255 S CB 0.506 63.909 63.200 0.337 0.000 1.206 255 S HN 0.727 nan 8.310 nan 0.000 0.507 256 A N 1.656 124.551 122.820 0.126 0.000 1.917 256 A HA -0.185 4.140 4.320 0.010 0.000 0.219 256 A C 2.022 179.632 177.584 0.043 0.000 1.182 256 A CA 2.178 54.239 52.037 0.040 0.000 0.633 256 A CB -1.580 17.413 19.000 -0.012 0.000 0.819 256 A HN 0.875 nan 8.150 nan 0.000 0.448 257 N N -0.505 118.231 118.700 0.060 0.000 2.205 257 N HA -0.161 4.585 4.740 0.010 0.000 0.186 257 N C 1.520 177.041 175.510 0.019 0.000 1.015 257 N CA 2.069 55.132 53.050 0.022 0.000 0.862 257 N CB -0.255 38.259 38.487 0.046 0.000 0.986 257 N HN 0.473 nan 8.380 nan 0.000 0.429 258 T N 0.392 115.002 114.554 0.094 0.000 2.821 258 T HA -0.042 4.314 4.350 0.010 0.000 0.267 258 T C 2.067 176.781 174.700 0.023 0.000 1.046 258 T CA 1.116 63.276 62.100 0.101 0.000 1.139 258 T CB -0.146 68.861 68.868 0.231 0.000 0.871 258 T HN 0.060 nan 8.240 nan 0.000 0.454 259 V N -0.431 119.474 119.914 -0.015 0.000 2.323 259 V HA 0.163 4.289 4.120 0.010 0.000 0.244 259 V C 0.494 176.528 176.094 -0.100 0.000 1.041 259 V CA 0.939 63.152 62.300 -0.145 0.000 1.025 259 V CB -0.346 31.337 31.823 -0.233 0.000 0.656 259 V HN 0.463 nan 8.190 nan 0.000 0.451 260 F N 1.044 120.853 119.950 -0.234 0.000 2.605 260 F HA 0.395 4.927 4.527 0.009 0.000 0.320 260 F C 0.192 175.868 175.800 -0.206 0.000 1.159 260 F CA -1.755 56.083 58.000 -0.270 0.000 0.999 260 F CB 1.459 40.243 39.000 -0.358 0.000 1.258 260 F HN 0.161 nan 8.300 nan 0.000 0.464 261 D N 4.873 124.850 120.400 -0.705 0.000 2.378 261 D HA -0.061 4.584 4.640 0.010 0.000 0.227 261 D C 1.217 177.246 176.300 -0.451 0.000 1.012 261 D CA 0.990 54.714 54.000 -0.461 0.000 0.905 261 D CB -0.156 40.424 40.800 -0.367 0.000 0.895 261 D HN 0.693 nan 8.370 nan 0.000 0.532 262 L N -1.970 118.834 121.223 -0.698 0.000 4.555 262 L HA -0.264 4.082 4.340 0.010 0.000 0.431 262 L C -0.108 176.720 176.870 -0.070 0.000 1.136 262 L CA 0.606 55.294 54.840 -0.253 0.000 0.972 262 L CB -1.414 40.641 42.059 -0.007 0.000 1.999 262 L HN 0.237 nan 8.230 nan 0.000 0.900 263 Q N 0.847 120.512 119.800 -0.225 0.000 2.332 263 Q HA 0.202 4.548 4.340 0.010 0.000 0.263 263 Q C 0.417 176.463 176.000 0.077 0.000 0.979 263 Q CA -0.082 55.674 55.803 -0.077 0.000 0.885 263 Q CB 0.568 29.230 28.738 -0.127 0.000 1.218 263 Q HN 0.128 nan 8.270 nan 0.000 0.405 264 N N 2.052 120.783 118.700 0.051 0.000 2.412 264 N HA 0.013 4.759 4.740 0.010 0.000 0.254 264 N C -0.328 175.221 175.510 0.066 0.000 1.232 264 N CA 0.561 53.634 53.050 0.039 0.000 0.880 264 N CB 0.509 38.942 38.487 -0.090 0.000 1.076 264 N HN 0.249 nan 8.380 nan 0.000 0.458 265 R N 1.701 122.267 120.500 0.111 0.000 2.744 265 R HA 0.498 4.843 4.340 0.010 0.000 0.279 265 R C -2.436 173.900 176.300 0.059 0.000 0.977 265 R CA -1.605 54.556 56.100 0.101 0.000 0.906 265 R CB 2.051 32.449 30.300 0.164 0.000 1.197 265 R HN 0.404 nan 8.270 nan 0.000 0.463 266 P HA 0.108 nan 4.420 nan 0.000 0.274 266 P C -1.356 175.988 177.300 0.073 0.000 1.231 266 P CA -0.248 62.923 63.100 0.117 0.000 0.790 266 P CB 0.769 32.596 31.700 0.211 0.000 0.951 267 N N -1.253 117.483 118.700 0.060 0.000 3.039 267 N HA 0.201 4.947 4.740 0.010 0.000 0.257 267 N C 0.599 176.123 175.510 0.023 0.000 1.497 267 N CA -0.716 52.352 53.050 0.030 0.000 0.861 267 N CB -0.563 37.929 38.487 0.008 0.000 1.479 267 N HN 0.049 nan 8.380 nan 0.000 0.547 268 T N -0.447 114.111 114.554 0.008 0.000 2.720 268 T HA -0.120 4.235 4.350 0.010 0.000 0.268 268 T C 0.144 174.845 174.700 0.001 0.000 1.037 268 T CA 2.178 64.280 62.100 0.003 0.000 1.144 268 T CB -0.639 68.227 68.868 -0.004 0.000 0.864 268 T HN 0.634 nan 8.240 nan 0.000 0.444 269 D N 0.738 121.134 120.400 -0.006 0.000 2.347 269 D HA 0.312 4.958 4.640 0.010 0.000 0.213 269 D C 0.598 176.897 176.300 -0.001 0.000 0.985 269 D CA 0.449 54.443 54.000 -0.011 0.000 0.879 269 D CB 0.214 40.998 40.800 -0.028 0.000 0.919 269 D HN 0.350 nan 8.370 nan 0.000 0.526 270 A N 0.650 123.478 122.820 0.015 0.000 3.156 270 A HA 0.353 4.679 4.320 0.010 0.000 0.311 270 A C -2.149 175.476 177.584 0.068 0.000 1.129 270 A CA -0.933 51.127 52.037 0.038 0.000 0.809 270 A CB 0.797 19.821 19.000 0.040 0.000 1.257 270 A HN -0.144 nan 8.150 nan 0.000 0.491 271 P HA -0.005 nan 4.420 nan 0.000 0.227 271 P C 0.588 177.975 177.300 0.145 0.000 1.161 271 P CA 1.054 64.200 63.100 0.077 0.000 0.788 271 P CB 0.471 32.189 31.700 0.030 0.000 0.822 272 E N -0.191 120.097 120.200 0.147 0.000 2.465 272 E HA 0.135 4.491 4.350 0.010 0.000 0.195 272 E C 0.195 177.019 176.600 0.374 0.000 1.028 272 E CA 0.126 56.674 56.400 0.246 0.000 0.899 272 E CB 0.286 30.043 29.700 0.094 0.000 1.032 272 E HN 0.481 nan 8.360 nan 0.000 0.468 273 E N 0.978 121.327 120.200 0.248 0.000 2.227 273 E HA 0.496 4.852 4.350 0.010 0.000 0.268 273 E C -0.222 176.438 176.600 0.100 0.000 0.990 273 E CA -0.578 55.922 56.400 0.166 0.000 0.856 273 E CB 1.523 31.309 29.700 0.144 0.000 1.159 273 E HN -0.159 nan 8.360 nan 0.000 0.401 274 R N 1.859 122.385 120.500 0.043 0.000 2.500 274 R HA 0.414 4.760 4.340 0.010 0.000 0.299 274 R C -1.630 174.743 176.300 0.122 0.000 1.038 274 R CA -0.535 55.545 56.100 -0.032 0.000 0.903 274 R CB 0.984 31.135 30.300 -0.247 0.000 1.177 274 R HN 0.410 nan 8.270 nan 0.000 0.455 275 F N 2.250 122.182 119.950 -0.031 0.000 2.604 275 F HA 0.439 4.972 4.527 0.009 0.000 0.316 275 F C -1.721 174.011 175.800 -0.114 0.000 1.136 275 F CA -0.679 57.300 58.000 -0.035 0.000 0.989 275 F CB 1.968 41.026 39.000 0.096 0.000 1.258 275 F HN 0.373 nan 8.300 nan 0.000 0.451 276 N N 4.896 122.893 118.700 -1.172 0.000 2.346 276 N HA 0.562 5.307 4.740 0.010 0.000 0.289 276 N C -1.965 172.544 175.510 -1.669 0.000 1.027 276 N CA -0.597 51.733 53.050 -1.200 0.000 0.864 276 N CB 2.270 40.248 38.487 -0.847 0.000 1.370 276 N HN 0.593 nan 8.380 nan 0.000 0.481 277 L N 2.803 123.253 121.223 -1.287 0.000 2.289 277 L HA 0.631 4.976 4.340 0.010 0.000 0.285 277 L C -1.592 174.705 176.870 -0.955 0.000 1.049 277 L CA -0.203 54.121 54.840 -0.860 0.000 0.804 277 L CB 0.120 42.018 42.059 -0.268 0.000 1.195 277 L HN 0.439 nan 8.230 nan 0.000 0.428 278 F N 6.406 126.116 119.950 -0.401 0.000 2.434 278 F HA 0.548 5.080 4.527 0.009 0.000 0.367 278 F C -2.152 173.592 175.800 -0.093 0.000 1.093 278 F CA -2.048 55.800 58.000 -0.253 0.000 1.085 278 F CB 0.807 39.618 39.000 -0.315 0.000 1.322 278 F HN 0.419 nan 8.300 nan 0.000 0.452 279 P HA 0.367 nan 4.420 nan 0.000 0.278 279 P C -0.189 177.160 177.300 0.082 0.000 1.266 279 P CA -0.351 62.785 63.100 0.060 0.000 0.807 279 P CB 1.140 32.853 31.700 0.021 0.000 1.094 280 A N -0.845 122.005 122.820 0.050 0.000 2.739 280 A HA -0.091 4.235 4.320 0.010 0.000 0.296 280 A C -0.119 177.482 177.584 0.029 0.000 1.488 280 A CA 0.670 52.727 52.037 0.033 0.000 0.746 280 A CB -2.389 16.631 19.000 0.034 0.000 1.047 280 A HN 0.254 nan 8.150 nan 0.000 0.477 281 V N -0.086 119.856 119.914 0.047 0.000 2.447 281 V HA 0.641 4.766 4.120 0.010 0.000 0.292 281 V C 0.581 176.665 176.094 -0.016 0.000 1.021 281 V CA -0.299 62.028 62.300 0.045 0.000 0.850 281 V CB 1.491 33.424 31.823 0.182 0.000 1.005 281 V HN 1.525 nan 8.190 nan 0.000 0.426 282 A N 4.254 127.042 122.820 -0.054 0.000 2.396 282 A HA 0.428 4.753 4.320 0.010 0.000 0.279 282 A C 0.194 177.743 177.584 -0.059 0.000 1.165 282 A CA -0.114 51.879 52.037 -0.074 0.000 0.824 282 A CB -0.135 18.863 19.000 -0.004 0.000 1.100 282 A HN 0.854 nan 8.150 nan 0.000 0.516 283 C N 2.916 122.159 119.300 -0.096 0.000 2.415 283 C HA 0.335 4.801 4.460 0.010 0.000 0.369 283 C C 1.366 176.324 174.990 -0.053 0.000 1.279 283 C CA -0.208 58.744 59.018 -0.110 0.000 1.886 283 C CB -0.438 27.226 27.740 -0.127 0.000 2.468 283 C HN 1.016 nan 8.230 nan 0.000 0.553 284 E N 0.854 121.052 120.200 -0.004 0.000 2.364 284 E HA 0.138 4.494 4.350 0.010 0.000 0.203 284 E C 0.189 176.801 176.600 0.021 0.000 0.888 284 E CA 0.339 56.764 56.400 0.042 0.000 0.989 284 E CB 0.549 30.334 29.700 0.142 0.000 0.985 284 E HN 0.641 nan 8.360 nan 0.000 0.499 285 R N 0.519 121.039 120.500 0.034 0.000 2.643 285 R HA 0.337 4.683 4.340 0.010 0.000 0.269 285 R C -1.176 175.104 176.300 -0.033 0.000 1.037 285 R CA -0.668 55.424 56.100 -0.014 0.000 0.894 285 R CB 2.386 32.657 30.300 -0.049 0.000 1.238 285 R HN -0.112 nan 8.270 nan 0.000 0.459 286 V N -0.451 119.423 119.914 -0.066 0.000 2.394 286 V HA 0.515 4.640 4.120 0.010 0.000 0.282 286 V C 0.076 176.109 176.094 -0.101 0.000 1.031 286 V CA -0.865 61.355 62.300 -0.132 0.000 0.881 286 V CB 1.550 33.257 31.823 -0.193 0.000 0.982 286 V HN 0.421 nan 8.190 nan 0.000 0.451 287 V N 5.991 125.829 119.914 -0.126 0.000 2.408 287 V HA 0.376 4.501 4.120 0.010 0.000 0.267 287 V C 0.829 176.886 176.094 -0.063 0.000 1.047 287 V CA -0.305 61.944 62.300 -0.085 0.000 0.937 287 V CB 0.430 32.215 31.823 -0.063 0.000 0.999 287 V HN 0.912 nan 8.190 nan 0.000 0.472 288 R N 3.759 124.237 120.500 -0.036 0.000 2.441 288 R HA 0.250 4.595 4.340 0.010 0.000 0.284 288 R C 0.371 176.687 176.300 0.025 0.000 1.070 288 R CA -0.550 55.575 56.100 0.043 0.000 1.047 288 R CB 0.603 30.892 30.300 -0.018 0.000 1.016 288 R HN 0.889 nan 8.270 nan 0.000 0.477 289 N N 1.415 120.146 118.700 0.052 0.000 2.326 289 N HA -0.009 4.737 4.740 0.010 0.000 0.239 289 N C 0.542 176.037 175.510 -0.025 0.000 1.301 289 N CA 0.144 53.197 53.050 0.004 0.000 0.909 289 N CB 0.441 38.928 38.487 0.000 0.000 1.156 289 N HN 0.562 nan 8.380 nan 0.000 0.462 290 A N -0.104 122.696 122.820 -0.034 0.000 1.969 290 A HA -0.094 4.231 4.320 0.010 0.000 0.218 290 A C 1.886 179.434 177.584 -0.059 0.000 1.169 290 A CA 0.834 52.845 52.037 -0.043 0.000 0.635 290 A CB -0.739 18.240 19.000 -0.035 0.000 0.810 290 A HN 0.569 nan 8.150 nan 0.000 0.445 291 L N -0.153 121.028 121.223 -0.070 0.000 2.353 291 L HA -0.062 4.284 4.340 0.010 0.000 0.220 291 L C 0.143 176.909 176.870 -0.173 0.000 1.133 291 L CA 1.061 55.841 54.840 -0.100 0.000 0.798 291 L CB -0.995 41.008 42.059 -0.095 0.000 0.922 291 L HN 0.525 nan 8.230 nan 0.000 0.445 292 N N -0.549 118.034 118.700 -0.195 0.000 2.725 292 N HA -0.207 4.539 4.740 0.010 0.000 0.251 292 N C 0.928 175.850 175.510 -0.981 0.000 1.031 292 N CA 0.978 53.792 53.050 -0.393 0.000 0.720 292 N CB -1.443 36.932 38.487 -0.187 0.000 0.930 292 N HN 0.633 nan 8.380 nan 0.000 0.543 293 S N -2.159 113.135 115.700 -0.677 0.000 2.578 293 S HA 0.258 4.734 4.470 0.010 0.000 0.228 293 S C 0.324 174.705 174.600 -0.365 0.000 1.022 293 S CA -0.190 57.659 58.200 -0.585 0.000 0.967 293 S CB 1.571 64.624 63.200 -0.245 0.000 0.914 293 S HN 0.399 nan 8.310 nan 0.000 0.515 294 E N 0.173 120.283 120.200 -0.151 0.000 2.390 294 E HA 0.438 4.794 4.350 0.010 0.000 0.280 294 E C -1.697 175.092 176.600 0.315 0.000 0.992 294 E CA -0.863 55.645 56.400 0.181 0.000 0.790 294 E CB 1.379 31.148 29.700 0.116 0.000 1.248 294 E HN 0.087 nan 8.360 nan 0.000 0.447 295 I N 3.348 124.073 120.570 0.258 0.000 2.365 295 I HA 0.142 4.318 4.170 0.010 0.000 0.291 295 I C 0.806 176.888 176.117 -0.059 0.000 1.004 295 I CA 0.056 61.335 61.300 -0.034 0.000 1.311 295 I CB 1.321 39.069 38.000 -0.419 0.000 1.401 295 I HN 0.685 nan 8.210 nan 0.000 0.491 296 E N 3.256 123.408 120.200 -0.080 0.000 2.389 296 E HA 0.093 4.448 4.350 0.010 0.000 0.199 296 E C 0.269 176.907 176.600 0.064 0.000 0.978 296 E CA 0.343 56.767 56.400 0.039 0.000 0.912 296 E CB 0.689 30.412 29.700 0.037 0.000 0.907 296 E HN 0.730 nan 8.360 nan 0.000 0.494 297 S N -0.437 115.216 115.700 -0.077 0.000 2.636 297 S HA 0.497 4.973 4.470 0.010 0.000 0.266 297 S C -1.556 173.011 174.600 -0.055 0.000 1.147 297 S CA -1.046 57.188 58.200 0.057 0.000 0.815 297 S CB 1.263 64.519 63.200 0.093 0.000 1.119 297 S HN 0.017 nan 8.310 nan 0.000 0.470 298 L N 1.768 123.052 121.223 0.102 0.000 2.325 298 L HA 0.663 5.009 4.340 0.010 0.000 0.281 298 L C -0.896 175.988 176.870 0.022 0.000 1.004 298 L CA -0.210 54.650 54.840 0.033 0.000 0.823 298 L CB 1.392 43.496 42.059 0.074 0.000 1.236 298 L HN 0.998 nan 8.230 nan 0.000 0.415 299 H N 5.328 124.350 119.070 -0.079 0.000 2.604 299 H HA 0.610 5.172 4.556 0.009 0.000 0.306 299 H C -0.580 174.696 175.328 -0.087 0.000 1.075 299 H CA -0.222 55.788 56.048 -0.063 0.000 1.357 299 H CB 0.648 30.377 29.762 -0.055 0.000 1.426 299 H HN 0.630 nan 8.280 nan 0.000 0.470 300 I N 1.491 121.861 120.570 -0.332 0.000 2.740 300 I HA 0.411 4.587 4.170 0.010 0.000 0.303 300 I C -1.110 174.922 176.117 -0.142 0.000 1.044 300 I CA -0.975 60.180 61.300 -0.241 0.000 1.064 300 I CB 2.471 40.269 38.000 -0.336 0.000 1.249 300 I HN 0.631 nan 8.210 nan 0.000 0.433 301 H N 3.763 122.751 119.070 -0.137 0.000 2.708 301 H HA 0.228 4.790 4.556 0.009 0.000 0.320 301 H C -1.362 173.977 175.328 0.019 0.000 0.991 301 H CA -0.710 55.300 56.048 -0.062 0.000 1.243 301 H CB 1.420 31.163 29.762 -0.031 0.000 1.446 301 H HN 0.765 nan 8.280 nan 0.000 0.502 302 D N 5.827 126.265 120.400 0.064 0.000 2.338 302 D HA -0.013 4.633 4.640 0.010 0.000 0.255 302 D C 1.210 177.374 176.300 -0.226 0.000 1.237 302 D CA -0.042 53.954 54.000 -0.007 0.000 0.883 302 D CB 0.886 41.791 40.800 0.176 0.000 1.087 302 D HN 0.690 nan 8.370 nan 0.000 0.485 303 L N 4.165 125.238 121.223 -0.249 0.000 2.275 303 L HA -0.158 4.188 4.340 0.010 0.000 0.215 303 L C 1.917 178.729 176.870 -0.096 0.000 1.119 303 L CA 0.343 55.034 54.840 -0.248 0.000 0.790 303 L CB -0.111 41.892 42.059 -0.093 0.000 0.919 303 L HN 0.527 nan 8.230 nan 0.000 0.443 304 I N -0.697 119.852 120.570 -0.034 0.000 2.385 304 I HA -0.134 4.042 4.170 0.010 0.000 0.244 304 I C 2.730 178.860 176.117 0.020 0.000 1.089 304 I CA 1.626 62.930 61.300 0.006 0.000 1.410 304 I CB -1.243 36.772 38.000 0.026 0.000 1.117 304 I HN 0.267 nan 8.210 nan 0.000 0.429 305 S N 0.395 116.119 115.700 0.040 0.000 2.461 305 S HA 0.102 4.578 4.470 0.010 0.000 0.228 305 S C 1.835 176.469 174.600 0.057 0.000 1.005 305 S CA 0.890 59.126 58.200 0.060 0.000 0.942 305 S CB 0.026 63.288 63.200 0.103 0.000 0.776 305 S HN 0.609 nan 8.310 nan 0.000 0.514 306 G N 0.767 109.598 108.800 0.052 0.000 2.217 306 G HA2 -0.195 3.771 3.960 0.010 0.000 0.246 306 G HA3 -0.195 3.771 3.960 0.010 0.000 0.246 306 G C -0.345 174.665 174.900 0.183 0.000 0.990 306 G CA 0.179 45.358 45.100 0.132 0.000 0.627 306 G HN 0.569 nan 8.290 nan 0.000 0.522 307 D N 0.468 120.920 120.400 0.086 0.000 2.329 307 D HA 0.596 5.242 4.640 0.010 0.000 0.246 307 D C 0.911 177.129 176.300 -0.136 0.000 1.111 307 D CA -0.021 53.915 54.000 -0.107 0.000 0.941 307 D CB 0.604 41.220 40.800 -0.306 0.000 1.169 307 D HN 0.379 nan 8.370 nan 0.000 0.441 308 R N 0.732 120.989 120.500 -0.405 0.000 2.589 308 R HA 0.641 4.987 4.340 0.010 0.000 0.293 308 R C -0.721 175.187 176.300 -0.653 0.000 0.963 308 R CA -0.641 55.233 56.100 -0.376 0.000 0.905 308 R CB 1.285 31.397 30.300 -0.313 0.000 1.144 308 R HN 0.310 nan 8.270 nan 0.000 0.459 309 F N -0.195 119.618 119.950 -0.228 0.000 2.664 309 F HA 0.365 4.898 4.527 0.009 0.000 0.317 309 F C -0.192 175.496 175.800 -0.186 0.000 1.108 309 F CA -1.044 56.863 58.000 -0.154 0.000 0.957 309 F CB 1.866 40.795 39.000 -0.118 0.000 1.365 309 F HN 0.263 nan 8.300 nan 0.000 0.475 310 E N 1.179 121.464 120.200 0.142 0.000 2.210 310 E HA 0.594 4.950 4.350 0.010 0.000 0.266 310 E C -1.490 175.172 176.600 0.102 0.000 0.883 310 E CA -0.393 56.069 56.400 0.103 0.000 0.761 310 E CB 1.348 31.126 29.700 0.130 0.000 1.156 310 E HN 0.341 nan 8.360 nan 0.000 0.412 311 I N 2.900 123.523 120.570 0.088 0.000 2.474 311 I HA 0.393 4.569 4.170 0.010 0.000 0.294 311 I C -0.356 175.892 176.117 0.217 0.000 1.005 311 I CA -1.016 60.364 61.300 0.133 0.000 1.113 311 I CB 1.605 39.651 38.000 0.078 0.000 1.289 311 I HN 0.387 nan 8.210 nan 0.000 0.436 312 K N 4.579 125.110 120.400 0.219 0.000 2.244 312 K HA 0.832 5.158 4.320 0.010 0.000 0.260 312 K C -1.124 175.571 176.600 0.159 0.000 0.951 312 K CA -0.287 56.133 56.287 0.222 0.000 0.826 312 K CB 1.720 34.306 32.500 0.144 0.000 1.108 312 K HN 0.794 nan 8.250 nan 0.000 0.433 313 A N 2.789 125.625 122.820 0.026 0.000 2.569 313 A HA 0.429 4.755 4.320 0.010 0.000 0.290 313 A C -0.466 176.998 177.584 -0.199 0.000 1.136 313 A CA -0.650 51.267 52.037 -0.200 0.000 0.710 313 A CB 1.007 19.737 19.000 -0.451 0.000 1.303 313 A HN 0.751 nan 8.150 nan 0.000 0.413 314 D N -0.595 119.734 120.400 -0.118 0.000 2.194 314 D HA 0.129 4.775 4.640 0.010 0.000 0.204 314 D C 0.248 176.474 176.300 -0.122 0.000 0.964 314 D CA 1.546 55.552 54.000 0.010 0.000 0.846 314 D CB 0.252 41.131 40.800 0.132 0.000 0.962 314 D HN 0.209 nan 8.370 nan 0.000 0.490 315 V N 0.760 120.444 119.914 -0.382 0.000 2.638 315 V HA 0.287 4.413 4.120 0.010 0.000 0.306 315 V C -1.236 174.577 176.094 -0.467 0.000 1.052 315 V CA -0.916 61.149 62.300 -0.392 0.000 0.885 315 V CB 1.827 33.314 31.823 -0.561 0.000 0.999 315 V HN -0.078 nan 8.190 nan 0.000 0.424 316 Y N 2.728 123.022 120.300 -0.010 0.000 2.341 316 Y HA 0.705 5.260 4.550 0.009 0.000 0.338 316 Y C -0.078 175.781 175.900 -0.067 0.000 0.965 316 Y CA -0.929 57.149 58.100 -0.038 0.000 1.108 316 Y CB 2.101 40.539 38.460 -0.038 0.000 1.180 316 Y HN 0.354 nan 8.280 nan 0.000 0.458 317 V N 5.497 125.375 119.914 -0.060 0.000 2.444 317 V HA 0.395 4.521 4.120 0.010 0.000 0.294 317 V C -0.507 175.451 176.094 -0.226 0.000 1.022 317 V CA -0.918 61.231 62.300 -0.251 0.000 0.850 317 V CB 1.677 33.124 31.823 -0.627 0.000 0.992 317 V HN 0.594 nan 8.190 nan 0.000 0.426 318 L N 5.173 126.260 121.223 -0.226 0.000 2.280 318 L HA 0.570 4.916 4.340 0.010 0.000 0.287 318 L C 0.327 177.095 176.870 -0.169 0.000 1.023 318 L CA -0.200 54.532 54.840 -0.181 0.000 0.819 318 L CB 1.629 43.565 42.059 -0.205 0.000 1.212 318 L HN 0.808 nan 8.230 nan 0.000 0.420 319 T N -1.597 112.895 114.554 -0.104 0.000 3.624 319 T HA 0.367 4.723 4.350 0.010 0.000 0.244 319 T C 0.616 175.322 174.700 0.010 0.000 1.063 319 T CA -0.122 61.957 62.100 -0.034 0.000 1.252 319 T CB 0.999 69.851 68.868 -0.028 0.000 1.021 319 T HN 0.544 nan 8.240 nan 0.000 0.590 320 A N 0.746 123.579 122.820 0.022 0.000 2.345 320 A HA 0.786 5.112 4.320 0.010 0.000 0.225 320 A C 1.375 179.032 177.584 0.122 0.000 1.243 320 A CA 0.104 52.172 52.037 0.051 0.000 0.875 320 A CB -0.631 18.392 19.000 0.038 0.000 0.929 320 A HN 1.707 nan 8.150 nan 0.000 0.502 321 G N -2.525 106.355 108.800 0.133 0.000 2.612 321 G HA2 0.280 4.246 3.960 0.010 0.000 0.686 321 G HA3 0.280 4.246 3.960 0.010 0.000 0.686 321 G C 0.744 175.765 174.900 0.201 0.000 1.274 321 G CA -0.277 44.922 45.100 0.165 0.000 0.849 321 G HN 1.255 nan 8.290 nan 0.000 0.595 322 A N -0.552 122.373 122.820 0.176 0.000 1.933 322 A HA 0.212 4.538 4.320 0.010 0.000 0.218 322 A C 2.617 180.294 177.584 0.155 0.000 1.175 322 A CA 3.281 55.407 52.037 0.149 0.000 0.628 322 A CB -0.352 18.715 19.000 0.111 0.000 0.814 322 A HN 1.570 nan 8.150 nan 0.000 0.444 323 V N -1.177 118.800 119.914 0.105 0.000 2.331 323 V HA -0.150 3.976 4.120 0.010 0.000 0.242 323 V C 2.199 178.275 176.094 -0.030 0.000 1.034 323 V CA 2.049 64.353 62.300 0.008 0.000 1.027 323 V CB -0.947 30.781 31.823 -0.158 0.000 0.667 323 V HN 0.722 nan 8.190 nan 0.000 0.457 324 H N -0.138 119.009 119.070 0.127 0.000 2.502 324 H HA -0.001 4.560 4.556 0.009 0.000 0.283 324 H C 2.223 177.548 175.328 -0.005 0.000 1.015 324 H CA 0.910 56.988 56.048 0.050 0.000 1.298 324 H CB 0.044 29.818 29.762 0.020 0.000 1.411 324 H HN 0.305 nan 8.280 nan 0.000 0.556 325 N N -0.131 118.640 118.700 0.118 0.000 2.104 325 N HA -0.124 4.622 4.740 0.010 0.000 0.190 325 N C 1.697 177.183 175.510 -0.040 0.000 1.024 325 N CA 1.812 54.864 53.050 0.002 0.000 0.853 325 N CB -0.425 38.044 38.487 -0.029 0.000 1.008 325 N HN 0.349 nan 8.380 nan 0.000 0.424 326 T N 0.657 115.255 114.554 0.073 0.000 2.777 326 T HA -0.148 4.208 4.350 0.010 0.000 0.266 326 T C 1.836 176.384 174.700 -0.253 0.000 1.040 326 T CA 1.013 63.152 62.100 0.066 0.000 1.141 326 T CB -0.163 68.889 68.868 0.308 0.000 0.868 326 T HN 0.357 nan 8.240 nan 0.000 0.444 327 Q N 0.477 120.004 119.800 -0.456 0.000 2.084 327 Q HA -0.038 4.307 4.340 0.010 0.000 0.202 327 Q C 2.339 178.051 176.000 -0.480 0.000 0.978 327 Q CA 1.041 56.241 55.803 -1.006 0.000 0.844 327 Q CB -0.292 28.145 28.738 -0.501 0.000 0.898 327 Q HN 0.485 nan 8.270 nan 0.000 0.426 328 L N 0.369 121.452 121.223 -0.234 0.000 2.046 328 L HA -0.214 4.132 4.340 0.010 0.000 0.208 328 L C 2.304 179.086 176.870 -0.147 0.000 1.077 328 L CA 1.050 55.796 54.840 -0.156 0.000 0.747 328 L CB -0.146 41.844 42.059 -0.115 0.000 0.896 328 L HN 0.357 nan 8.230 nan 0.000 0.432 329 L N -1.540 119.574 121.223 -0.180 0.000 2.056 329 L HA -0.204 4.141 4.340 0.010 0.000 0.207 329 L C 2.418 179.324 176.870 0.059 0.000 1.078 329 L CA 0.791 55.546 54.840 -0.142 0.000 0.749 329 L CB -0.425 41.423 42.059 -0.351 0.000 0.901 329 L HN 0.076 nan 8.230 nan 0.000 0.433 330 V N -0.000 119.875 119.914 -0.065 0.000 2.343 330 V HA -0.272 3.854 4.120 0.010 0.000 0.247 330 V C 2.127 178.201 176.094 -0.033 0.000 1.051 330 V CA 1.982 64.270 62.300 -0.019 0.000 1.036 330 V CB -0.681 31.088 31.823 -0.088 0.000 0.654 330 V HN 0.489 nan 8.190 nan 0.000 0.451 331 N N 0.099 118.733 118.700 -0.110 0.000 2.443 331 N HA -0.112 4.634 4.740 0.010 0.000 0.184 331 N C 1.562 177.051 175.510 -0.035 0.000 1.037 331 N CA 1.279 54.288 53.050 -0.067 0.000 0.896 331 N CB -0.058 38.377 38.487 -0.087 0.000 0.959 331 N HN 0.400 nan 8.380 nan 0.000 0.442 332 S N -1.682 114.020 115.700 0.003 0.000 2.556 332 S HA 0.340 4.816 4.470 0.010 0.000 0.216 332 S C 1.106 175.691 174.600 -0.024 0.000 0.970 332 S CA 0.281 58.490 58.200 0.015 0.000 0.912 332 S CB 0.619 63.879 63.200 0.100 0.000 0.790 332 S HN 0.565 nan 8.310 nan 0.000 0.504 333 G N 0.957 109.752 108.800 -0.010 0.000 2.184 333 G HA2 -0.205 3.761 3.960 0.010 0.000 0.206 333 G HA3 -0.205 3.761 3.960 0.010 0.000 0.206 333 G C -0.050 174.779 174.900 -0.117 0.000 0.995 333 G CA -0.709 44.339 45.100 -0.086 0.000 0.651 333 G HN 0.399 nan 8.290 nan 0.000 0.511 334 F N 1.189 121.118 119.950 -0.035 0.000 2.410 334 F HA 0.498 5.031 4.527 0.010 0.000 0.334 334 F C 1.693 177.507 175.800 0.024 0.000 1.134 334 F CA 1.296 59.289 58.000 -0.012 0.000 1.227 334 F CB 0.803 39.767 39.000 -0.060 0.000 1.194 334 F HN 0.800 nan 8.300 nan 0.000 0.571 335 G N 1.827 110.769 108.800 0.236 0.000 2.566 335 G HA2 -0.257 3.709 3.960 0.010 0.000 0.280 335 G HA3 -0.257 3.709 3.960 0.010 0.000 0.280 335 G C -0.744 174.232 174.900 0.128 0.000 1.225 335 G CA 0.274 45.481 45.100 0.179 0.000 0.966 335 G HN 0.927 nan 8.290 nan 0.000 0.560 336 Q N -1.005 118.874 119.800 0.132 0.000 2.284 336 Q HA 0.599 4.945 4.340 0.010 0.000 0.269 336 Q C -1.204 174.876 176.000 0.133 0.000 1.026 336 Q CA -1.057 54.803 55.803 0.095 0.000 0.831 336 Q CB 1.909 30.680 28.738 0.054 0.000 1.322 336 Q HN 0.825 nan 8.270 nan 0.000 0.419 337 L N 2.910 124.204 121.223 0.118 0.000 2.439 337 L HA 0.660 5.006 4.340 0.010 0.000 0.269 337 L C 0.592 177.531 176.870 0.116 0.000 1.179 337 L CA 2.458 57.393 54.840 0.157 0.000 0.828 337 L CB 0.763 42.890 42.059 0.113 0.000 1.106 337 L HN 0.926 nan 8.230 nan 0.000 0.467 338 G N 3.494 112.404 108.800 0.183 0.000 2.710 338 G HA2 -0.185 3.781 3.960 0.010 0.000 0.668 338 G HA3 -0.185 3.781 3.960 0.010 0.000 0.668 338 G C -0.511 174.201 174.900 -0.313 0.000 1.320 338 G CA -0.328 44.803 45.100 0.051 0.000 0.860 338 G HN 0.855 nan 8.290 nan 0.000 0.538 339 R N 0.754 120.859 120.500 -0.658 0.000 2.522 339 R HA 0.375 4.721 4.340 0.010 0.000 0.284 339 R C -1.873 173.957 176.300 -0.783 0.000 1.032 339 R CA -0.688 54.622 56.100 -1.317 0.000 1.049 339 R CB 0.011 29.844 30.300 -0.780 0.000 0.956 339 R HN 0.344 nan 8.270 nan 0.000 0.422 340 P HA -0.059 nan 4.420 nan 0.000 0.264 340 P C -1.301 175.834 177.300 -0.275 0.000 1.183 340 P CA 0.429 63.283 63.100 -0.411 0.000 0.763 340 P CB 0.390 31.890 31.700 -0.333 0.000 0.807 341 N N 3.175 121.773 118.700 -0.170 0.000 2.577 341 N HA 0.211 4.957 4.740 0.010 0.000 0.275 341 N C -1.962 173.503 175.510 -0.075 0.000 1.091 341 N CA -1.922 51.058 53.050 -0.117 0.000 0.843 341 N CB 1.396 39.821 38.487 -0.104 0.000 1.295 341 N HN 0.122 nan 8.380 nan 0.000 0.530 342 P HA -0.015 nan 4.420 nan 0.000 0.223 342 P C 0.944 178.227 177.300 -0.029 0.000 1.151 342 P CA 0.541 63.617 63.100 -0.040 0.000 0.787 342 P CB 0.195 31.873 31.700 -0.038 0.000 0.788 343 A N -0.485 122.315 122.820 -0.033 0.000 2.178 343 A HA -0.123 4.203 4.320 0.010 0.000 0.218 343 A C 1.376 178.946 177.584 -0.023 0.000 1.157 343 A CA 0.892 52.914 52.037 -0.025 0.000 0.689 343 A CB -1.079 17.905 19.000 -0.027 0.000 0.787 343 A HN 0.297 nan 8.150 nan 0.000 0.465 344 N N -0.040 118.643 118.700 -0.027 0.000 2.711 344 N HA 0.180 4.926 4.740 0.010 0.000 0.263 344 N C -3.272 172.228 175.510 -0.018 0.000 1.667 344 N CA -1.155 51.881 53.050 -0.022 0.000 0.785 344 N CB 1.239 39.708 38.487 -0.030 0.000 1.231 344 N HN 0.035 nan 8.380 nan 0.000 0.503 345 P HA 0.284 nan 4.420 nan 0.000 0.276 345 P C -2.587 174.724 177.300 0.018 0.000 1.230 345 P CA -0.776 62.327 63.100 0.006 0.000 0.776 345 P CB 0.139 31.847 31.700 0.013 0.000 0.888 346 P HA 0.058 nan 4.420 nan 0.000 0.268 346 P C 0.872 178.200 177.300 0.046 0.000 1.208 346 P CA 0.111 63.238 63.100 0.045 0.000 0.777 346 P CB 0.718 32.463 31.700 0.075 0.000 0.875 347 E N 1.009 121.233 120.200 0.039 0.000 2.166 347 E HA 0.060 4.415 4.350 0.010 0.000 0.192 347 E C 0.145 176.780 176.600 0.059 0.000 0.967 347 E CA 0.172 56.594 56.400 0.037 0.000 0.840 347 E CB 0.180 29.890 29.700 0.017 0.000 0.795 347 E HN 0.328 nan 8.360 nan 0.000 0.470 348 L N 2.268 123.534 121.223 0.072 0.000 2.289 348 L HA 0.217 4.562 4.340 0.010 0.000 0.285 348 L C 0.132 177.121 176.870 0.198 0.000 1.049 348 L CA -0.401 54.515 54.840 0.127 0.000 0.804 348 L CB 1.193 43.291 42.059 0.065 0.000 1.195 348 L HN 0.282 nan 8.230 nan 0.000 0.428 349 L N 5.233 126.600 121.223 0.241 0.000 3.795 349 L HA -0.187 4.159 4.340 0.010 0.000 0.489 349 L C -1.440 175.548 176.870 0.195 0.000 1.259 349 L CA -0.450 54.537 54.840 0.246 0.000 0.765 349 L CB -0.775 41.467 42.059 0.305 0.000 1.519 349 L HN 0.607 nan 8.230 nan 0.000 0.842 350 P HA -0.093 nan 4.420 nan 0.000 0.228 350 P C 1.201 178.600 177.300 0.165 0.000 1.151 350 P CA 0.909 64.091 63.100 0.136 0.000 0.770 350 P CB 0.343 32.105 31.700 0.103 0.000 0.786 351 S N -0.656 115.162 115.700 0.196 0.000 2.548 351 S HA 0.069 4.545 4.470 0.010 0.000 0.215 351 S C 0.804 175.565 174.600 0.267 0.000 0.976 351 S CA -0.425 57.937 58.200 0.270 0.000 0.908 351 S CB -0.609 62.740 63.200 0.250 0.000 0.781 351 S HN 0.080 nan 8.310 nan 0.000 0.519 352 L N 2.579 123.936 121.223 0.223 0.000 2.559 352 L HA 0.353 4.698 4.340 0.010 0.000 0.274 352 L C 1.180 178.186 176.870 0.227 0.000 1.205 352 L CA 1.157 56.128 54.840 0.218 0.000 0.907 352 L CB -0.513 41.661 42.059 0.192 0.000 1.153 352 L HN 0.354 nan 8.230 nan 0.000 0.490 353 G N 2.458 111.400 108.800 0.235 0.000 2.189 353 G HA2 -0.280 3.686 3.960 0.010 0.000 0.267 353 G HA3 -0.280 3.686 3.960 0.010 0.000 0.267 353 G C 0.461 175.474 174.900 0.188 0.000 0.975 353 G CA 0.420 45.654 45.100 0.222 0.000 0.644 353 G HN 0.842 nan 8.290 nan 0.000 0.537 354 S N -1.457 114.358 115.700 0.191 0.000 2.718 354 S HA 0.637 5.113 4.470 0.010 0.000 0.300 354 S C 0.413 175.139 174.600 0.210 0.000 1.117 354 S CA 0.071 58.323 58.200 0.086 0.000 1.002 354 S CB 0.827 63.997 63.200 -0.051 0.000 1.092 354 S HN 0.916 nan 8.310 nan 0.000 0.542 355 Y N -0.994 119.375 120.300 0.116 0.000 4.177 355 Y HA -0.208 4.348 4.550 0.010 0.000 0.227 355 Y C 0.502 176.486 175.900 0.140 0.000 1.154 355 Y CA 0.192 58.360 58.100 0.114 0.000 1.887 355 Y CB -2.203 36.319 38.460 0.104 0.000 1.594 355 Y HN 0.602 nan 8.280 nan 0.000 0.668 356 I N -0.191 120.526 120.570 0.245 0.000 2.696 356 I HA 0.517 4.692 4.170 0.010 0.000 0.284 356 I C 0.644 176.926 176.117 0.274 0.000 1.129 356 I CA 0.339 61.784 61.300 0.241 0.000 1.410 356 I CB 1.387 39.524 38.000 0.228 0.000 1.399 356 I HN 0.199 nan 8.210 nan 0.000 0.579 357 T N 1.779 116.457 114.554 0.207 0.000 2.861 357 T HA 0.669 5.025 4.350 0.010 0.000 0.287 357 T C -0.679 174.044 174.700 0.037 0.000 1.003 357 T CA -0.684 61.525 62.100 0.182 0.000 0.977 357 T CB 2.047 70.981 68.868 0.110 0.000 0.996 357 T HN 0.833 nan 8.240 nan 0.000 0.448 358 E N 1.302 121.490 120.200 -0.019 0.000 2.340 358 E HA 0.369 4.725 4.350 0.010 0.000 0.273 358 E C -1.077 175.628 176.600 0.175 0.000 0.891 358 E CA -0.607 55.751 56.400 -0.070 0.000 0.757 358 E CB 2.038 31.500 29.700 -0.398 0.000 1.231 358 E HN 0.702 nan 8.360 nan 0.000 0.439 359 Q N 1.191 121.105 119.800 0.191 0.000 2.288 359 Q HA 0.407 4.753 4.340 0.010 0.000 0.254 359 Q C -0.470 175.705 176.000 0.293 0.000 0.932 359 Q CA -0.404 55.553 55.803 0.258 0.000 0.902 359 Q CB 1.306 30.226 28.738 0.303 0.000 1.203 359 Q HN 0.469 nan 8.270 nan 0.000 0.415 360 S N 1.821 117.624 115.700 0.172 0.000 2.549 360 S HA 0.236 4.712 4.470 0.010 0.000 0.283 360 S C -0.605 174.001 174.600 0.009 0.000 1.320 360 S CA -0.367 57.787 58.200 -0.077 0.000 1.058 360 S CB 0.288 63.348 63.200 -0.234 0.000 0.882 360 S HN 0.361 nan 8.310 nan 0.000 0.498 361 L N 5.209 126.399 121.223 -0.054 0.000 2.381 361 L HA 0.717 5.062 4.340 0.010 0.000 0.274 361 L C -0.718 175.951 176.870 -0.335 0.000 0.988 361 L CA -0.659 54.043 54.840 -0.230 0.000 0.824 361 L CB 1.615 43.510 42.059 -0.274 0.000 1.263 361 L HN 0.461 nan 8.230 nan 0.000 0.410 362 V N 2.138 121.780 119.914 -0.455 0.000 2.769 362 V HA 0.765 4.891 4.120 0.010 0.000 0.312 362 V C -1.056 174.868 176.094 -0.284 0.000 1.058 362 V CA -0.639 61.334 62.300 -0.546 0.000 0.952 362 V CB 1.701 33.022 31.823 -0.838 0.000 1.019 362 V HN 0.806 nan 8.190 nan 0.000 0.445 363 F N 4.624 124.335 119.950 -0.399 0.000 2.608 363 F HA 0.864 5.392 4.527 0.002 0.000 0.309 363 F C -0.496 175.180 175.800 -0.207 0.000 1.103 363 F CA -0.341 57.522 58.000 -0.228 0.000 0.954 363 F CB 1.399 40.315 39.000 -0.140 0.000 1.267 363 F HN 1.248 nan 8.300 nan 0.000 0.444 364 C N 3.245 121.921 119.300 -1.039 0.000 3.306 364 C HA 0.807 5.273 4.460 0.010 0.000 0.335 364 C C -1.853 172.716 174.990 -0.702 0.000 1.382 364 C CA -0.639 57.789 59.018 -0.985 0.000 1.254 364 C CB 1.653 29.002 27.740 -0.652 0.000 1.555 364 C HN 0.981 nan 8.230 nan 0.000 0.463 365 Q N 0.673 120.244 119.800 -0.382 0.000 2.413 365 Q HA 0.771 5.117 4.340 0.010 0.000 0.276 365 Q C -0.508 175.560 176.000 0.114 0.000 1.099 365 Q CA -0.279 55.530 55.803 0.010 0.000 0.814 365 Q CB 2.728 31.477 28.738 0.017 0.000 1.379 365 Q HN 0.948 nan 8.270 nan 0.000 0.436 366 T N -2.614 112.092 114.554 0.252 0.000 2.932 366 T HA 0.682 5.037 4.350 0.010 0.000 0.289 366 T C -0.535 174.251 174.700 0.144 0.000 1.039 366 T CA -0.705 61.503 62.100 0.179 0.000 1.024 366 T CB 1.249 70.237 68.868 0.199 0.000 1.090 366 T HN 0.258 nan 8.240 nan 0.000 0.496 367 V N 3.077 123.036 119.914 0.075 0.000 2.347 367 V HA 0.370 4.496 4.120 0.010 0.000 0.280 367 V C 0.382 176.504 176.094 0.047 0.000 1.021 367 V CA -0.893 61.441 62.300 0.057 0.000 0.847 367 V CB 1.000 32.843 31.823 0.032 0.000 0.990 367 V HN 1.032 nan 8.190 nan 0.000 0.444 368 M N 5.048 124.685 119.600 0.062 0.000 2.255 368 M HA 0.021 4.507 4.480 0.010 0.000 0.356 368 M C 0.909 177.226 176.300 0.029 0.000 1.338 368 M CA 0.785 56.118 55.300 0.057 0.000 0.962 368 M CB 0.466 33.098 32.600 0.053 0.000 1.877 368 M HN 0.928 nan 8.290 nan 0.000 0.463 369 S N 2.635 118.348 115.700 0.022 0.000 2.573 369 S HA 0.073 4.549 4.470 0.010 0.000 0.277 369 S C 1.055 175.661 174.600 0.010 0.000 1.346 369 S CA -0.100 58.102 58.200 0.003 0.000 1.034 369 S CB 0.618 63.815 63.200 -0.006 0.000 0.879 369 S HN 0.801 nan 8.310 nan 0.000 0.528 370 T N 2.080 116.636 114.554 0.003 0.000 2.665 370 T HA -0.155 4.201 4.350 0.010 0.000 0.268 370 T C 1.632 176.340 174.700 0.014 0.000 1.035 370 T CA 1.990 64.095 62.100 0.008 0.000 1.151 370 T CB -0.574 68.295 68.868 0.002 0.000 0.862 370 T HN 0.793 nan 8.240 nan 0.000 0.438 371 E N 0.445 120.650 120.200 0.009 0.000 2.097 371 E HA -0.107 4.248 4.350 0.010 0.000 0.196 371 E C 2.206 178.824 176.600 0.030 0.000 1.000 371 E CA 0.990 57.398 56.400 0.014 0.000 0.804 371 E CB -0.254 29.447 29.700 0.002 0.000 0.740 371 E HN 0.418 nan 8.360 nan 0.000 0.454 372 L N 0.560 121.804 121.223 0.035 0.000 2.109 372 L HA -0.142 4.204 4.340 0.010 0.000 0.207 372 L C 2.310 179.221 176.870 0.069 0.000 1.086 372 L CA 0.232 55.106 54.840 0.058 0.000 0.760 372 L CB -0.141 41.954 42.059 0.060 0.000 0.910 372 L HN 0.199 nan 8.230 nan 0.000 0.437 373 I N -0.013 120.585 120.570 0.048 0.000 2.179 373 I HA -0.288 3.888 4.170 0.010 0.000 0.242 373 I C 2.123 178.269 176.117 0.049 0.000 1.088 373 I CA 1.501 62.824 61.300 0.039 0.000 1.357 373 I CB -1.082 36.932 38.000 0.022 0.000 1.051 373 I HN 0.277 nan 8.210 nan 0.000 0.409 374 D N 0.747 121.175 120.400 0.047 0.000 2.149 374 D HA -0.151 4.495 4.640 0.010 0.000 0.198 374 D C 2.367 178.714 176.300 0.077 0.000 0.990 374 D CA 1.717 55.748 54.000 0.052 0.000 0.839 374 D CB -0.104 40.720 40.800 0.039 0.000 0.948 374 D HN 0.379 nan 8.370 nan 0.000 0.460 375 S N -0.064 115.691 115.700 0.092 0.000 2.423 375 S HA -0.106 4.370 4.470 0.010 0.000 0.231 375 S C 2.176 176.920 174.600 0.239 0.000 1.014 375 S CA 0.733 59.015 58.200 0.137 0.000 0.965 375 S CB -0.455 62.812 63.200 0.111 0.000 0.785 375 S HN 0.078 nan 8.310 nan 0.000 0.495 376 V N 3.032 123.068 119.914 0.204 0.000 2.392 376 V HA -0.184 3.942 4.120 0.010 0.000 0.249 376 V C 2.267 178.434 176.094 0.121 0.000 1.059 376 V CA 2.242 64.674 62.300 0.220 0.000 1.051 376 V CB -0.813 31.055 31.823 0.075 0.000 0.658 376 V HN 0.846 nan 8.190 nan 0.000 0.455 377 K N 0.237 120.694 120.400 0.096 0.000 2.440 377 K HA 0.169 4.495 4.320 0.010 0.000 0.206 377 K C 1.603 178.257 176.600 0.091 0.000 1.025 377 K CA 0.678 57.006 56.287 0.070 0.000 1.135 377 K CB 0.188 32.720 32.500 0.054 0.000 0.856 377 K HN 0.417 nan 8.250 nan 0.000 0.502 378 S N 0.973 116.760 115.700 0.145 0.000 2.419 378 S HA -0.170 4.306 4.470 0.010 0.000 0.235 378 S C 1.025 175.676 174.600 0.084 0.000 1.019 378 S CA 1.241 59.507 58.200 0.110 0.000 0.982 378 S CB -0.283 62.979 63.200 0.103 0.000 0.789 378 S HN 0.338 nan 8.310 nan 0.000 0.490 379 D N 0.936 121.399 120.400 0.106 0.000 2.340 379 D HA 0.173 4.818 4.640 0.010 0.000 0.220 379 D C 0.157 176.516 176.300 0.098 0.000 1.039 379 D CA 0.301 54.350 54.000 0.082 0.000 0.866 379 D CB -0.070 40.776 40.800 0.077 0.000 0.913 379 D HN 0.386 nan 8.370 nan 0.000 0.523 380 M N 0.733 120.382 119.600 0.082 0.000 2.211 380 M HA 0.171 4.657 4.480 0.010 0.000 0.356 380 M C 0.387 176.722 176.300 0.059 0.000 1.216 380 M CA 0.027 55.380 55.300 0.087 0.000 1.134 380 M CB 0.824 33.461 32.600 0.062 0.000 1.564 380 M HN -0.326 nan 8.290 nan 0.000 0.463 381 T N 4.557 119.140 114.554 0.048 0.000 2.806 381 T HA 0.647 5.003 4.350 0.010 0.000 0.290 381 T C 0.167 174.852 174.700 -0.024 0.000 0.966 381 T CA -0.293 61.815 62.100 0.013 0.000 1.060 381 T CB 0.525 69.396 68.868 0.005 0.000 0.927 381 T HN 0.437 nan 8.240 nan 0.000 0.485 382 I N 3.575 124.129 120.570 -0.025 0.000 2.418 382 I HA 0.453 4.629 4.170 0.010 0.000 0.287 382 I C 0.216 176.307 176.117 -0.043 0.000 1.008 382 I CA -0.718 60.545 61.300 -0.062 0.000 1.104 382 I CB 1.567 39.571 38.000 0.005 0.000 1.264 382 I HN 0.321 nan 8.210 nan 0.000 0.438 383 R N 4.048 124.493 120.500 -0.091 0.000 2.534 383 R HA 0.766 5.112 4.340 0.010 0.000 0.301 383 R C 0.052 176.376 176.300 0.041 0.000 0.961 383 R CA -0.481 55.605 56.100 -0.023 0.000 0.871 383 R CB 2.074 32.353 30.300 -0.036 0.000 1.170 383 R HN 0.892 nan 8.270 nan 0.000 0.446 384 G N 0.970 109.836 108.800 0.109 0.000 2.660 384 G HA2 -0.226 3.740 3.960 0.010 0.000 0.215 384 G HA3 -0.226 3.740 3.960 0.010 0.000 0.215 384 G C -0.879 174.184 174.900 0.273 0.000 1.345 384 G CA -0.762 44.444 45.100 0.177 0.000 0.877 384 G HN 0.510 nan 8.290 nan 0.000 0.549 385 T N 3.217 117.894 114.554 0.205 0.000 2.824 385 T HA 0.665 5.020 4.350 0.010 0.000 0.282 385 T C -2.484 172.058 174.700 -0.262 0.000 0.993 385 T CA -0.598 61.523 62.100 0.034 0.000 0.967 385 T CB 2.070 70.936 68.868 -0.003 0.000 0.960 385 T HN 0.518 nan 8.240 nan 0.000 0.441 386 P HA 0.145 nan 4.420 nan 0.000 0.264 386 P C 1.084 178.105 177.300 -0.465 0.000 1.179 386 P CA 1.076 63.506 63.100 -1.117 0.000 0.763 386 P CB 0.259 31.540 31.700 -0.698 0.000 0.806 387 G N 1.400 109.996 108.800 -0.340 0.000 2.253 387 G HA2 -0.246 3.719 3.960 0.010 0.000 0.251 387 G HA3 -0.246 3.719 3.960 0.010 0.000 0.251 387 G C 0.100 174.963 174.900 -0.063 0.000 0.998 387 G CA -0.145 44.872 45.100 -0.139 0.000 0.621 387 G HN 0.571 nan 8.290 nan 0.000 0.524 388 E N -0.029 120.145 120.200 -0.042 0.000 2.349 388 E HA 0.526 4.882 4.350 0.010 0.000 0.262 388 E C 1.438 178.074 176.600 0.061 0.000 1.088 388 E CA -0.530 55.882 56.400 0.021 0.000 0.899 388 E CB 0.933 30.661 29.700 0.046 0.000 1.044 388 E HN 0.193 nan 8.360 nan 0.000 0.420 389 L N 1.013 122.263 121.223 0.046 0.000 2.191 389 L HA -0.150 4.195 4.340 0.010 0.000 0.212 389 L C 1.926 178.833 176.870 0.062 0.000 1.103 389 L CA 1.414 56.282 54.840 0.046 0.000 0.769 389 L CB -0.323 41.754 42.059 0.028 0.000 0.908 389 L HN 0.634 nan 8.230 nan 0.000 0.438 390 T N -5.290 109.309 114.554 0.075 0.000 3.228 390 T HA 0.073 4.428 4.350 0.010 0.000 0.278 390 T C 0.122 174.882 174.700 0.100 0.000 1.014 390 T CA -0.480 61.659 62.100 0.065 0.000 0.904 390 T CB -0.435 68.457 68.868 0.041 0.000 1.110 390 T HN 0.045 nan 8.240 nan 0.000 0.541 391 Y N 2.504 122.805 120.300 0.002 0.000 2.811 391 Y HA 0.391 4.947 4.550 0.010 0.000 0.334 391 Y C 0.198 176.100 175.900 0.005 0.000 1.247 391 Y CA 0.095 58.197 58.100 0.003 0.000 1.526 391 Y CB 0.376 38.837 38.460 0.001 0.000 1.284 391 Y HN 0.308 nan 8.280 nan 0.000 0.586 392 S N 5.218 120.565 115.700 -0.588 0.000 2.668 392 S HA 0.620 5.096 4.470 0.010 0.000 0.277 392 S C -2.025 172.251 174.600 -0.540 0.000 1.170 392 S CA -0.758 57.184 58.200 -0.430 0.000 0.994 392 S CB 0.523 63.612 63.200 -0.185 0.000 1.051 392 S HN 0.507 nan 8.310 nan 0.000 0.484 393 V N 4.895 124.565 119.914 -0.406 0.000 2.378 393 V HA 0.726 4.852 4.120 0.010 0.000 0.288 393 V C 0.165 176.224 176.094 -0.058 0.000 1.016 393 V CA -0.461 61.713 62.300 -0.209 0.000 0.840 393 V CB 1.170 32.904 31.823 -0.148 0.000 0.994 393 V HN 0.979 nan 8.190 nan 0.000 0.431 394 T N 1.831 116.382 114.554 -0.005 0.000 2.896 394 T HA 0.872 5.228 4.350 0.010 0.000 0.297 394 T C -0.988 173.803 174.700 0.151 0.000 1.108 394 T CA -0.740 61.386 62.100 0.042 0.000 1.004 394 T CB 2.397 71.243 68.868 -0.037 0.000 1.159 394 T HN 0.806 nan 8.240 nan 0.000 0.499 395 Y N -1.587 118.707 120.300 -0.009 0.000 2.644 395 Y HA 0.790 5.346 4.550 0.010 0.000 0.338 395 Y C -0.997 174.902 175.900 -0.001 0.000 1.119 395 Y CA -1.309 56.791 58.100 -0.001 0.000 1.060 395 Y CB 0.945 39.413 38.460 0.013 0.000 1.294 395 Y HN 0.641 nan 8.280 nan 0.000 0.472 396 T N 4.288 118.797 114.554 -0.075 0.000 2.801 396 T HA 0.417 4.773 4.350 0.010 0.000 0.306 396 T C -2.810 171.853 174.700 -0.061 0.000 1.020 396 T CA -1.352 60.656 62.100 -0.153 0.000 0.948 396 T CB 0.763 69.607 68.868 -0.041 0.000 0.962 396 T HN 0.363 nan 8.240 nan 0.000 0.465 397 P HA 0.208 nan 4.420 nan 0.000 0.266 397 P C 1.129 178.461 177.300 0.053 0.000 1.195 397 P CA 0.663 63.789 63.100 0.043 0.000 0.768 397 P CB 0.363 32.051 31.700 -0.021 0.000 0.838 398 G N 1.498 110.354 108.800 0.093 0.000 2.175 398 G HA2 -0.238 3.727 3.960 0.010 0.000 0.265 398 G HA3 -0.238 3.727 3.960 0.010 0.000 0.265 398 G C 0.465 175.385 174.900 0.033 0.000 0.979 398 G CA 0.118 45.250 45.100 0.054 0.000 0.663 398 G HN 0.870 nan 8.290 nan 0.000 0.533 399 A N 0.531 123.375 122.820 0.040 0.000 2.488 399 A HA 0.665 4.991 4.320 0.010 0.000 0.249 399 A C 1.764 179.350 177.584 0.004 0.000 1.083 399 A CA 1.199 53.248 52.037 0.020 0.000 0.768 399 A CB 0.360 19.375 19.000 0.026 0.000 1.017 399 A HN 1.703 nan 8.150 nan 0.000 0.496 400 S N 1.691 117.387 115.700 -0.006 0.000 2.419 400 S HA -0.188 4.288 4.470 0.010 0.000 0.233 400 S C 1.528 176.109 174.600 -0.030 0.000 1.016 400 S CA 1.852 60.041 58.200 -0.018 0.000 0.974 400 S CB -0.949 62.242 63.200 -0.016 0.000 0.786 400 S HN 1.287 nan 8.310 nan 0.000 0.492 401 T N -0.657 113.882 114.554 -0.025 0.000 3.148 401 T HA 0.153 4.509 4.350 0.010 0.000 0.253 401 T C 0.462 175.129 174.700 -0.053 0.000 1.134 401 T CA -0.309 61.769 62.100 -0.036 0.000 1.051 401 T CB -0.651 68.203 68.868 -0.024 0.000 0.959 401 T HN 0.237 nan 8.240 nan 0.000 0.525 402 N N 2.067 120.738 118.700 -0.048 0.000 2.492 402 N HA 0.205 4.951 4.740 0.010 0.000 0.260 402 N C 0.693 176.092 175.510 -0.185 0.000 1.215 402 N CA -0.061 52.943 53.050 -0.076 0.000 0.923 402 N CB 1.029 39.496 38.487 -0.033 0.000 1.092 402 N HN 0.390 nan 8.380 nan 0.000 0.448 403 K N 0.826 121.039 120.400 -0.313 0.000 2.404 403 K HA 0.100 4.425 4.320 0.010 0.000 0.194 403 K C -0.178 175.898 176.600 -0.873 0.000 1.023 403 K CA 0.371 56.324 56.287 -0.556 0.000 1.094 403 K CB 0.227 32.345 32.500 -0.637 0.000 0.841 403 K HN 0.572 nan 8.250 nan 0.000 0.523 404 H N -0.341 118.448 119.070 -0.468 0.000 2.894 404 H HA 0.309 4.871 4.556 0.010 0.000 0.368 404 H C -2.686 172.342 175.328 -0.501 0.000 1.181 404 H CA -2.480 53.135 56.048 -0.722 0.000 1.146 404 H CB 1.406 30.317 29.762 -1.418 0.000 1.839 404 H HN -0.199 nan 8.280 nan 0.000 0.557 405 P HA 0.015 nan 4.420 nan 0.000 0.274 405 P C 0.419 177.560 177.300 -0.265 0.000 1.237 405 P CA -0.231 62.711 63.100 -0.264 0.000 0.793 405 P CB 1.027 32.540 31.700 -0.311 0.000 0.977 406 D N 0.508 120.877 120.400 -0.053 0.000 2.133 406 D HA -0.168 4.478 4.640 0.010 0.000 0.195 406 D C 1.810 178.147 176.300 0.061 0.000 0.997 406 D CA 1.360 55.402 54.000 0.070 0.000 0.840 406 D CB -0.474 40.452 40.800 0.211 0.000 0.947 406 D HN 0.619 nan 8.370 nan 0.000 0.452 407 W N 0.146 121.523 121.300 0.129 0.000 2.425 407 W HA -0.113 4.553 4.660 0.009 0.000 0.277 407 W C 1.916 178.517 176.519 0.136 0.000 1.231 407 W CA 0.089 57.506 57.345 0.120 0.000 1.248 407 W CB -1.256 28.267 29.460 0.106 0.000 1.117 407 W HN 0.072 nan 8.180 nan 0.000 0.568 408 W N 3.598 124.393 121.300 -0.842 0.000 2.408 408 W HA -0.132 4.534 4.660 0.010 0.000 0.311 408 W C 1.820 178.048 176.519 -0.485 0.000 1.190 408 W CA 1.508 58.349 57.345 -0.840 0.000 1.321 408 W CB -1.074 27.709 29.460 -1.127 0.000 1.143 408 W HN -0.148 nan 8.180 nan 0.000 0.501 409 N N 1.163 119.798 118.700 -0.109 0.000 2.149 409 N HA -0.222 4.524 4.740 0.010 0.000 0.188 409 N C 1.506 176.734 175.510 -0.470 0.000 1.019 409 N CA 2.071 54.825 53.050 -0.493 0.000 0.857 409 N CB -0.661 37.109 38.487 -1.195 0.000 0.997 409 N HN 0.265 nan 8.380 nan 0.000 0.426 410 E N 1.450 121.541 120.200 -0.182 0.000 2.051 410 E HA -0.073 4.283 4.350 0.010 0.000 0.192 410 E C 1.679 178.330 176.600 0.085 0.000 0.991 410 E CA 1.289 57.757 56.400 0.113 0.000 0.799 410 E CB 0.035 29.873 29.700 0.229 0.000 0.748 410 E HN 0.229 nan 8.360 nan 0.000 0.449 411 K N -0.306 120.131 120.400 0.062 0.000 2.032 411 K HA -0.120 4.206 4.320 0.010 0.000 0.209 411 K C 2.134 178.728 176.600 -0.009 0.000 1.048 411 K CA 1.518 57.829 56.287 0.039 0.000 0.927 411 K CB -0.229 32.289 32.500 0.031 0.000 0.712 411 K HN 0.069 nan 8.250 nan 0.000 0.441 412 V N 1.980 121.838 119.914 -0.093 0.000 2.261 412 V HA -0.266 3.859 4.120 0.010 0.000 0.246 412 V C 2.443 178.557 176.094 0.035 0.000 1.047 412 V CA 1.777 64.035 62.300 -0.070 0.000 1.015 412 V CB -0.478 31.272 31.823 -0.122 0.000 0.642 412 V HN 0.366 nan 8.190 nan 0.000 0.446 413 K N 0.174 120.596 120.400 0.038 0.000 2.057 413 K HA -0.229 4.096 4.320 0.010 0.000 0.207 413 K C 2.020 178.677 176.600 0.095 0.000 1.049 413 K CA 1.903 58.246 56.287 0.093 0.000 0.931 413 K CB -0.224 32.393 32.500 0.195 0.000 0.714 413 K HN 0.416 nan 8.250 nan 0.000 0.440 414 N N 0.385 119.148 118.700 0.105 0.000 2.142 414 N HA -0.169 4.577 4.740 0.010 0.000 0.186 414 N C 1.756 177.326 175.510 0.101 0.000 1.023 414 N CA 1.299 54.408 53.050 0.098 0.000 0.852 414 N CB -0.555 37.998 38.487 0.109 0.000 0.998 414 N HN 0.434 nan 8.380 nan 0.000 0.424 415 H N 0.573 119.674 119.070 0.051 0.000 2.353 415 H HA 0.087 4.648 4.556 0.009 0.000 0.300 415 H C 2.023 177.400 175.328 0.082 0.000 1.090 415 H CA 1.729 57.817 56.048 0.067 0.000 1.327 415 H CB -0.045 29.675 29.762 -0.069 0.000 1.383 415 H HN 0.108 nan 8.280 nan 0.000 0.508 416 M N -0.839 118.748 119.600 -0.021 0.000 2.175 416 M HA -0.126 4.360 4.480 0.010 0.000 0.264 416 M C 1.811 178.148 176.300 0.061 0.000 1.063 416 M CA 1.077 56.382 55.300 0.007 0.000 1.119 416 M CB 0.031 32.703 32.600 0.119 0.000 1.377 416 M HN 0.338 nan 8.290 nan 0.000 0.415 417 M N -0.214 119.416 119.600 0.051 0.000 2.236 417 M HA -0.096 4.390 4.480 0.010 0.000 0.266 417 M C 1.849 178.142 176.300 -0.013 0.000 1.070 417 M CA 1.673 57.015 55.300 0.069 0.000 1.137 417 M CB -0.928 31.696 32.600 0.039 0.000 1.378 417 M HN 0.321 nan 8.290 nan 0.000 0.426 418 Q N -1.057 118.678 119.800 -0.108 0.000 2.398 418 Q HA -0.022 4.324 4.340 0.010 0.000 0.204 418 Q C 0.035 175.695 176.000 -0.566 0.000 0.932 418 Q CA 0.654 56.288 55.803 -0.280 0.000 0.916 418 Q CB 0.418 28.998 28.738 -0.263 0.000 1.024 418 Q HN 0.524 nan 8.270 nan 0.000 0.504 419 H N 0.152 119.145 119.070 -0.129 0.000 2.379 419 H HA 0.194 4.756 4.556 0.010 0.000 0.229 419 H C -0.002 175.248 175.328 -0.129 0.000 1.423 419 H CA -0.078 55.896 56.048 -0.124 0.000 1.375 419 H CB 0.589 30.229 29.762 -0.203 0.000 1.592 419 H HN 0.235 nan 8.280 nan 0.000 0.507 420 Q N 0.645 120.432 119.800 -0.023 0.000 2.436 420 Q HA -0.099 4.246 4.340 0.010 0.000 0.209 420 Q C 1.862 177.826 176.000 -0.059 0.000 0.965 420 Q CA 0.707 56.468 55.803 -0.070 0.000 0.910 420 Q CB 0.447 29.105 28.738 -0.132 0.000 0.980 420 Q HN 0.540 nan 8.270 nan 0.000 0.491 421 E N 0.951 121.160 120.200 0.015 0.000 2.358 421 E HA -0.114 4.242 4.350 0.010 0.000 0.195 421 E C -0.299 176.343 176.600 0.070 0.000 1.010 421 E CA 0.580 57.002 56.400 0.038 0.000 0.856 421 E CB 0.039 29.782 29.700 0.072 0.000 0.795 421 E HN 0.169 nan 8.360 nan 0.000 0.504 422 D N 1.793 122.249 120.400 0.094 0.000 2.198 422 D HA 0.147 4.793 4.640 0.010 0.000 0.245 422 D C -1.708 174.639 176.300 0.078 0.000 1.079 422 D CA -2.192 51.884 54.000 0.128 0.000 0.854 422 D CB 1.716 42.616 40.800 0.168 0.000 1.148 422 D HN -0.174 nan 8.370 nan 0.000 0.456 423 P HA 0.151 nan 4.420 nan 0.000 0.261 423 P C -0.325 177.008 177.300 0.055 0.000 1.268 423 P CA 0.060 63.192 63.100 0.053 0.000 0.833 423 P CB 0.405 32.130 31.700 0.042 0.000 1.231 424 L N 1.545 122.804 121.223 0.061 0.000 2.322 424 L HA 0.412 4.757 4.340 0.010 0.000 0.269 424 L C -1.428 175.459 176.870 0.027 0.000 1.012 424 L CA -2.271 52.577 54.840 0.013 0.000 0.815 424 L CB 2.512 44.541 42.059 -0.049 0.000 1.295 424 L HN -0.314 nan 8.230 nan 0.000 0.438 425 P HA 0.129 nan 4.420 nan 0.000 0.257 425 P C 0.202 177.356 177.300 -0.244 0.000 1.241 425 P CA 0.444 63.526 63.100 -0.031 0.000 0.816 425 P CB 0.593 32.279 31.700 -0.023 0.000 1.150 426 I N 2.341 122.680 120.570 -0.386 0.000 2.371 426 I HA 0.217 4.393 4.170 0.010 0.000 0.290 426 I C -2.159 173.455 176.117 -0.839 0.000 1.028 426 I CA -2.646 58.369 61.300 -0.475 0.000 1.345 426 I CB 0.716 38.530 38.000 -0.310 0.000 1.407 426 I HN -0.233 nan 8.210 nan 0.000 0.501 427 P HA 0.011 nan 4.420 nan 0.000 0.267 427 P C 0.286 177.332 177.300 -0.424 0.000 1.200 427 P CA 0.011 62.720 63.100 -0.652 0.000 0.772 427 P CB 0.383 31.943 31.700 -0.233 0.000 0.855 428 F N 0.712 120.550 119.950 -0.186 0.000 2.171 428 F HA -0.114 4.418 4.527 0.009 0.000 0.300 428 F C 1.699 177.459 175.800 -0.066 0.000 1.090 428 F CA 1.619 59.553 58.000 -0.111 0.000 1.293 428 F CB -0.657 38.292 39.000 -0.085 0.000 1.013 428 F HN 0.402 nan 8.300 nan 0.000 0.486 429 E N -0.130 120.153 120.200 0.139 0.000 2.423 429 E HA 0.017 4.372 4.350 0.010 0.000 0.198 429 E C -0.461 176.161 176.600 0.037 0.000 1.038 429 E CA -0.316 56.136 56.400 0.086 0.000 1.011 429 E CB -0.209 29.540 29.700 0.082 0.000 1.118 429 E HN 0.137 nan 8.360 nan 0.000 0.451 430 D N 2.178 122.578 120.400 0.001 0.000 2.487 430 D HA 0.006 4.652 4.640 0.010 0.000 0.243 430 D C -2.283 174.037 176.300 0.034 0.000 1.154 430 D CA -1.269 52.722 54.000 -0.015 0.000 0.876 430 D CB 0.791 41.544 40.800 -0.079 0.000 1.161 430 D HN -0.072 nan 8.370 nan 0.000 0.478 431 P HA 0.064 nan 4.420 nan 0.000 0.271 431 P C -0.471 176.947 177.300 0.196 0.000 1.233 431 P CA -0.311 62.874 63.100 0.142 0.000 0.789 431 P CB 0.366 32.127 31.700 0.103 0.000 0.951 432 E N 2.228 122.575 120.200 0.245 0.000 2.374 432 E HA 0.185 4.541 4.350 0.010 0.000 0.260 432 E C -2.391 174.244 176.600 0.059 0.000 1.101 432 E CA -2.110 54.352 56.400 0.105 0.000 0.907 432 E CB -0.703 29.011 29.700 0.023 0.000 1.014 432 E HN 0.267 nan 8.360 nan 0.000 0.427 433 P HA 0.036 nan 4.420 nan 0.000 0.271 433 P C -0.553 176.766 177.300 0.032 0.000 1.216 433 P CA 0.061 63.251 63.100 0.149 0.000 0.771 433 P CB 0.516 32.278 31.700 0.103 0.000 0.864 434 Q N 1.959 121.840 119.800 0.136 0.000 3.230 434 Q HA 0.310 4.655 4.340 0.010 0.000 0.303 434 Q C -0.777 175.332 176.000 0.182 0.000 0.884 434 Q CA -0.453 55.330 55.803 -0.033 0.000 0.859 434 Q CB 1.323 29.795 28.738 -0.444 0.000 1.432 434 Q HN 0.227 nan 8.270 nan 0.000 0.403 435 V N 0.671 120.667 119.914 0.137 0.000 2.547 435 V HA 0.682 4.807 4.120 0.010 0.000 0.299 435 V C 0.145 176.273 176.094 0.057 0.000 1.040 435 V CA -0.355 62.019 62.300 0.123 0.000 0.913 435 V CB 2.039 33.887 31.823 0.042 0.000 0.992 435 V HN 0.435 nan 8.190 nan 0.000 0.449 436 T N 1.955 116.569 114.554 0.100 0.000 2.916 436 T HA 0.480 4.836 4.350 0.010 0.000 0.305 436 T C -0.869 173.810 174.700 -0.034 0.000 1.119 436 T CA -0.320 61.788 62.100 0.015 0.000 1.008 436 T CB 1.807 70.670 68.868 -0.009 0.000 1.129 436 T HN 0.799 nan 8.240 nan 0.000 0.480 437 T N 4.745 119.148 114.554 -0.252 0.000 2.772 437 T HA 0.605 4.961 4.350 0.010 0.000 0.288 437 T C -0.124 174.462 174.700 -0.191 0.000 0.994 437 T CA -0.594 61.209 62.100 -0.496 0.000 0.951 437 T CB -0.130 68.033 68.868 -1.175 0.000 0.933 437 T HN 0.504 nan 8.240 nan 0.000 0.447 438 L N 4.491 125.669 121.223 -0.074 0.000 2.452 438 L HA 0.411 4.757 4.340 0.010 0.000 0.267 438 L C 0.747 177.626 176.870 0.015 0.000 1.188 438 L CA -0.951 53.921 54.840 0.055 0.000 0.821 438 L CB 0.235 42.313 42.059 0.032 0.000 1.102 438 L HN 0.629 nan 8.230 nan 0.000 0.470 439 F N 2.804 122.682 119.950 -0.119 0.000 2.568 439 F HA -0.127 4.405 4.527 0.009 0.000 0.394 439 F C 0.251 175.789 175.800 -0.438 0.000 1.032 439 F CA 0.761 58.591 58.000 -0.284 0.000 1.242 439 F CB 0.136 39.015 39.000 -0.201 0.000 0.966 439 F HN 0.398 nan 8.300 nan 0.000 0.560 440 Q N 6.497 125.789 119.800 -0.847 0.000 2.462 440 Q HA 0.249 4.595 4.340 0.010 0.000 0.285 440 Q C -2.005 173.517 176.000 -0.796 0.000 1.035 440 Q CA -1.730 53.652 55.803 -0.702 0.000 0.799 440 Q CB 1.495 29.668 28.738 -0.943 0.000 1.452 440 Q HN 0.230 nan 8.270 nan 0.000 0.404 441 P HA -0.211 nan 4.420 nan 0.000 0.216 441 P C 1.308 178.387 177.300 -0.368 0.000 1.153 441 P CA 2.210 65.132 63.100 -0.296 0.000 0.858 441 P CB 0.244 31.865 31.700 -0.131 0.000 0.789 442 S N -1.031 114.455 115.700 -0.356 0.000 2.481 442 S HA -0.140 4.336 4.470 0.010 0.000 0.231 442 S C 0.652 175.049 174.600 -0.338 0.000 0.996 442 S CA 0.430 58.482 58.200 -0.248 0.000 0.942 442 S CB -1.254 61.896 63.200 -0.084 0.000 0.768 442 S HN 0.426 nan 8.310 nan 0.000 0.520 443 H N -1.030 117.595 119.070 -0.741 0.000 2.538 443 H HA 0.515 5.076 4.556 0.009 0.000 0.239 443 H C -3.153 171.074 175.328 -1.835 0.000 1.401 443 H CA -1.938 53.297 56.048 -1.355 0.000 1.499 443 H CB 0.634 29.838 29.762 -0.930 0.000 1.624 443 H HN 0.096 nan 8.280 nan 0.000 0.524 444 P HA 0.088 nan 4.420 nan 0.000 0.226 444 P C -1.295 175.533 177.300 -0.787 0.000 1.783 444 P CA 0.172 62.270 63.100 -1.670 0.000 0.980 444 P CB -1.081 30.139 31.700 -0.802 0.000 1.967 445 W N -0.406 120.642 121.300 -0.420 0.000 3.213 445 W HA 0.506 5.174 4.660 0.012 0.000 0.318 445 W C -0.965 175.654 176.519 0.167 0.000 1.248 445 W CA -1.257 56.131 57.345 0.072 0.000 1.187 445 W CB 0.048 29.558 29.460 0.083 0.000 1.403 445 W HN -0.020 nan 8.180 nan 0.000 0.556 446 H N 1.207 120.537 119.070 0.433 0.000 2.551 446 H HA 0.708 5.270 4.556 0.010 0.000 0.358 446 H C -0.086 175.392 175.328 0.251 0.000 1.151 446 H CA 0.661 56.867 56.048 0.264 0.000 1.374 446 H CB 1.457 31.321 29.762 0.171 0.000 1.473 446 H HN 0.589 nan 8.280 nan 0.000 0.574 447 T N 1.803 116.044 114.554 -0.521 0.000 2.900 447 T HA 0.533 4.889 4.350 0.010 0.000 0.295 447 T C -0.871 173.518 174.700 -0.519 0.000 1.044 447 T CA -1.120 60.666 62.100 -0.523 0.000 0.995 447 T CB 1.749 70.194 68.868 -0.706 0.000 1.072 447 T HN 0.666 nan 8.240 nan 0.000 0.473 448 Q N 1.475 121.171 119.800 -0.173 0.000 2.271 448 Q HA 0.566 4.912 4.340 0.010 0.000 0.268 448 Q C -1.317 174.577 176.000 -0.176 0.000 1.021 448 Q CA -0.651 54.981 55.803 -0.286 0.000 0.802 448 Q CB 2.718 31.149 28.738 -0.511 0.000 1.282 448 Q HN 0.723 nan 8.270 nan 0.000 0.431 449 I N 3.426 123.870 120.570 -0.210 0.000 2.495 449 I HA 0.387 4.563 4.170 0.010 0.000 0.277 449 I C -0.505 175.545 176.117 -0.112 0.000 1.045 449 I CA -0.309 60.766 61.300 -0.376 0.000 1.135 449 I CB 0.509 38.168 38.000 -0.568 0.000 1.241 449 I HN 0.740 nan 8.210 nan 0.000 0.469 450 H N 3.749 122.688 119.070 -0.218 0.000 2.863 450 H HA 0.655 5.217 4.556 0.010 0.000 0.274 450 H C -1.360 173.938 175.328 -0.050 0.000 1.457 450 H CA -1.370 54.616 56.048 -0.103 0.000 1.151 450 H CB 1.454 31.178 29.762 -0.062 0.000 1.844 450 H HN 0.156 nan 8.280 nan 0.000 0.562 451 R N 1.357 121.703 120.500 -0.257 0.000 2.532 451 R HA 0.409 4.755 4.340 0.010 0.000 0.297 451 R C -1.549 174.516 176.300 -0.391 0.000 0.984 451 R CA -0.623 55.292 56.100 -0.308 0.000 0.884 451 R CB 1.936 32.165 30.300 -0.118 0.000 1.182 451 R HN 0.811 nan 8.270 nan 0.000 0.442 452 D N 0.394 120.562 120.400 -0.387 0.000 2.692 452 D HA 0.479 5.124 4.640 0.010 0.000 0.303 452 D C -1.412 174.720 176.300 -0.280 0.000 1.278 452 D CA -0.424 53.370 54.000 -0.344 0.000 0.852 452 D CB 2.444 43.031 40.800 -0.355 0.000 1.375 452 D HN 0.492 nan 8.370 nan 0.000 0.453 453 A N 0.994 123.528 122.820 -0.476 0.000 2.276 453 A HA 0.695 5.021 4.320 0.010 0.000 0.316 453 A C -1.180 175.949 177.584 -0.758 0.000 1.229 453 A CA -0.182 51.625 52.037 -0.384 0.000 0.851 453 A CB -0.045 18.870 19.000 -0.141 0.000 1.165 453 A HN 0.311 nan 8.150 nan 0.000 0.513 454 F N 0.349 120.105 119.950 -0.323 0.000 2.675 454 F HA 0.386 4.918 4.527 0.007 0.000 0.324 454 F C 1.692 177.254 175.800 -0.397 0.000 1.106 454 F CA 0.084 57.849 58.000 -0.392 0.000 0.970 454 F CB 1.779 40.367 39.000 -0.686 0.000 1.385 454 F HN 0.571 nan 8.300 nan 0.000 0.489 455 S N -0.212 115.451 115.700 -0.061 0.000 2.500 455 S HA -0.212 4.264 4.470 0.010 0.000 0.239 455 S C 0.713 175.319 174.600 0.009 0.000 0.989 455 S CA 1.514 59.696 58.200 -0.030 0.000 0.951 455 S CB -0.938 62.299 63.200 0.062 0.000 0.759 455 S HN 0.696 nan 8.310 nan 0.000 0.523 456 Y N -1.439 118.828 120.300 -0.054 0.000 2.641 456 Y HA 0.723 5.276 4.550 0.005 0.000 0.248 456 Y C 1.666 177.501 175.900 -0.109 0.000 1.170 456 Y CA -0.888 57.151 58.100 -0.102 0.000 1.201 456 Y CB -0.481 37.876 38.460 -0.171 0.000 1.232 456 Y HN 0.064 nan 8.280 nan 0.000 0.537 457 G N 1.238 109.847 108.800 -0.317 0.000 2.625 457 G HA2 0.034 4.000 3.960 0.010 0.000 0.214 457 G HA3 0.034 4.000 3.960 0.010 0.000 0.214 457 G C 0.995 175.893 174.900 -0.004 0.000 1.132 457 G CA 0.082 45.048 45.100 -0.224 0.000 0.782 457 G HN 0.672 nan 8.290 nan 0.000 0.538 458 A N 0.159 122.992 122.820 0.021 0.000 2.188 458 A HA 0.181 4.507 4.320 0.010 0.000 0.321 458 A C 0.404 178.035 177.584 0.079 0.000 0.965 458 A CA 0.369 52.437 52.037 0.051 0.000 1.361 458 A CB -0.601 18.437 19.000 0.062 0.000 0.707 458 A HN 0.341 nan 8.150 nan 0.000 0.338 459 V N 4.686 124.637 119.914 0.062 0.000 2.539 459 V HA 0.265 4.391 4.120 0.010 0.000 0.292 459 V C 0.788 176.914 176.094 0.054 0.000 1.045 459 V CA -0.520 61.821 62.300 0.069 0.000 0.945 459 V CB 1.457 33.317 31.823 0.062 0.000 0.993 459 V HN 1.003 nan 8.190 nan 0.000 0.464 460 Q N 1.638 121.471 119.800 0.054 0.000 3.036 460 Q HA 0.457 4.802 4.340 0.010 0.000 0.195 460 Q C 0.032 176.056 176.000 0.039 0.000 1.139 460 Q CA -0.502 55.328 55.803 0.045 0.000 0.544 460 Q CB 0.729 29.494 28.738 0.045 0.000 4.824 460 Q HN 0.620 nan 8.270 nan 0.000 0.325 461 Q N -0.658 119.163 119.800 0.035 0.000 2.101 461 Q HA 0.107 4.452 4.340 0.010 0.000 0.236 461 Q C 1.456 177.475 176.000 0.031 0.000 0.772 461 Q CA 0.424 56.246 55.803 0.031 0.000 0.944 461 Q CB 1.021 29.775 28.738 0.026 0.000 1.171 461 Q HN 0.614 nan 8.270 nan 0.000 0.463 462 S N -0.689 115.030 115.700 0.031 0.000 2.470 462 S HA 0.156 4.632 4.470 0.010 0.000 0.222 462 S C 0.986 175.605 174.600 0.032 0.000 1.024 462 S CA -0.032 58.186 58.200 0.029 0.000 0.931 462 S CB 0.398 63.613 63.200 0.025 0.000 0.791 462 S HN 0.030 nan 8.310 nan 0.000 0.513 463 I N 3.331 123.923 120.570 0.036 0.000 2.359 463 I HA 0.354 4.530 4.170 0.010 0.000 0.294 463 I C 0.163 176.307 176.117 0.045 0.000 0.987 463 I CA -1.231 60.093 61.300 0.039 0.000 1.225 463 I CB 0.973 38.997 38.000 0.039 0.000 1.366 463 I HN 0.239 nan 8.210 nan 0.000 0.466 464 D N 3.945 124.374 120.400 0.048 0.000 2.493 464 D HA -0.068 4.577 4.640 0.010 0.000 0.240 464 D C 1.224 177.557 176.300 0.055 0.000 1.142 464 D CA 0.243 54.278 54.000 0.058 0.000 0.872 464 D CB 1.184 42.023 40.800 0.065 0.000 1.173 464 D HN 0.663 nan 8.370 nan 0.000 0.467 465 S N 4.271 120.006 115.700 0.058 0.000 2.442 465 S HA -0.173 4.302 4.470 0.010 0.000 0.236 465 S C 1.658 176.286 174.600 0.047 0.000 1.007 465 S CA 0.554 58.786 58.200 0.053 0.000 0.965 465 S CB -0.046 63.185 63.200 0.052 0.000 0.773 465 S HN 0.553 nan 8.310 nan 0.000 0.504 466 R N 0.800 121.325 120.500 0.043 0.000 2.193 466 R HA 0.134 4.480 4.340 0.010 0.000 0.229 466 R C 1.764 178.073 176.300 0.015 0.000 1.110 466 R CA 1.252 57.361 56.100 0.015 0.000 0.988 466 R CB -0.573 29.715 30.300 -0.021 0.000 0.871 466 R HN 0.467 nan 8.270 nan 0.000 0.458 467 L N 0.239 121.480 121.223 0.030 0.000 2.509 467 L HA 0.148 4.493 4.340 0.010 0.000 0.222 467 L C 0.724 177.631 176.870 0.062 0.000 1.123 467 L CA 0.139 55.002 54.840 0.039 0.000 0.856 467 L CB 0.107 42.189 42.059 0.038 0.000 0.985 467 L HN 0.053 nan 8.230 nan 0.000 0.456 468 I N 0.373 120.981 120.570 0.063 0.000 2.353 468 I HA 0.252 4.427 4.170 0.010 0.000 0.293 468 I C -0.597 175.573 176.117 0.087 0.000 0.992 468 I CA -0.396 60.954 61.300 0.084 0.000 1.268 468 I CB 1.823 39.868 38.000 0.075 0.000 1.387 468 I HN -0.277 nan 8.210 nan 0.000 0.478 469 V N 4.964 124.958 119.914 0.134 0.000 2.735 469 V HA 0.353 4.478 4.120 0.010 0.000 0.310 469 V C -0.817 175.355 176.094 0.129 0.000 1.061 469 V CA -0.864 61.489 62.300 0.088 0.000 0.913 469 V CB 2.176 34.040 31.823 0.069 0.000 1.005 469 V HN 0.571 nan 8.190 nan 0.000 0.428 470 D N 2.400 122.823 120.400 0.039 0.000 2.177 470 D HA 0.455 5.101 4.640 0.010 0.000 0.247 470 D C -1.043 175.275 176.300 0.030 0.000 1.063 470 D CA 0.045 54.153 54.000 0.179 0.000 0.867 470 D CB 1.390 42.338 40.800 0.247 0.000 1.168 470 D HN 0.446 nan 8.370 nan 0.000 0.445 471 W N 1.564 122.964 121.300 0.166 0.000 2.471 471 W HA 0.447 5.111 4.660 0.007 0.000 0.318 471 W C 0.258 176.877 176.519 0.166 0.000 1.034 471 W CA -0.860 56.574 57.345 0.149 0.000 1.224 471 W CB 1.225 30.647 29.460 -0.063 0.000 1.335 471 W HN -0.070 nan 8.180 nan 0.000 0.452 472 R N 3.134 123.859 120.500 0.375 0.000 2.473 472 R HA 0.494 4.840 4.340 0.010 0.000 0.303 472 R C -1.469 174.931 176.300 0.166 0.000 1.002 472 R CA -0.823 55.339 56.100 0.103 0.000 0.884 472 R CB 1.491 31.736 30.300 -0.091 0.000 1.173 472 R HN 0.169 nan 8.270 nan 0.000 0.464 473 F N 2.811 122.566 119.950 -0.324 0.000 2.469 473 F HA 0.514 5.048 4.527 0.012 0.000 0.332 473 F C -0.266 175.360 175.800 -0.290 0.000 1.103 473 F CA -1.624 56.288 58.000 -0.146 0.000 0.979 473 F CB 1.113 40.016 39.000 -0.162 0.000 1.137 473 F HN 0.291 nan 8.300 nan 0.000 0.463 474 F N 1.175 121.287 119.950 0.270 0.000 2.460 474 F HA 0.634 5.168 4.527 0.012 0.000 0.341 474 F C 0.619 176.598 175.800 0.298 0.000 1.130 474 F CA -1.109 57.045 58.000 0.258 0.000 0.962 474 F CB 1.384 40.591 39.000 0.344 0.000 1.171 474 F HN 0.523 nan 8.300 nan 0.000 0.436 475 G N 2.182 111.192 108.800 0.351 0.000 2.504 475 G HA2 0.622 4.588 3.960 0.010 0.000 0.288 475 G HA3 0.622 4.588 3.960 0.010 0.000 0.288 475 G C -0.780 174.290 174.900 0.284 0.000 1.182 475 G CA -1.019 44.275 45.100 0.323 0.000 0.894 475 G HN 0.703 nan 8.290 nan 0.000 0.521 476 R N -0.788 119.876 120.500 0.274 0.000 2.474 476 R HA 0.655 5.001 4.340 0.010 0.000 0.295 476 R C -1.017 175.378 176.300 0.158 0.000 0.980 476 R CA -0.596 55.602 56.100 0.164 0.000 0.934 476 R CB 1.354 31.771 30.300 0.194 0.000 1.101 476 R HN 0.268 nan 8.270 nan 0.000 0.469 477 T N 2.533 117.151 114.554 0.107 0.000 2.792 477 T HA 0.170 4.526 4.350 0.010 0.000 0.280 477 T C -0.698 174.084 174.700 0.137 0.000 0.990 477 T CA -0.767 61.444 62.100 0.185 0.000 0.960 477 T CB 1.218 70.265 68.868 0.299 0.000 0.939 477 T HN 0.582 nan 8.240 nan 0.000 0.439 478 E N 4.267 124.550 120.200 0.139 0.000 2.414 478 E HA 0.135 4.491 4.350 0.010 0.000 0.263 478 E C -2.201 174.482 176.600 0.138 0.000 1.000 478 E CA -1.404 55.069 56.400 0.123 0.000 0.914 478 E CB 0.224 29.987 29.700 0.105 0.000 0.948 478 E HN 0.301 nan 8.360 nan 0.000 0.444 479 P HA 0.138 nan 4.420 nan 0.000 0.282 479 P C -0.957 176.500 177.300 0.263 0.000 1.262 479 P CA -0.209 63.032 63.100 0.234 0.000 0.773 479 P CB 0.757 32.612 31.700 0.257 0.000 0.879 480 K N 2.606 123.115 120.400 0.181 0.000 2.397 480 K HA 0.183 4.509 4.320 0.010 0.000 0.253 480 K C 0.928 177.404 176.600 -0.207 0.000 0.932 480 K CA -0.694 55.626 56.287 0.055 0.000 0.795 480 K CB 2.434 34.921 32.500 -0.021 0.000 1.159 480 K HN 0.460 nan 8.250 nan 0.000 0.424 481 E N 2.162 122.091 120.200 -0.452 0.000 2.171 481 E HA -0.229 4.127 4.350 0.010 0.000 0.197 481 E C 1.076 177.418 176.600 -0.430 0.000 0.997 481 E CA 1.560 57.402 56.400 -0.930 0.000 0.810 481 E CB 0.490 29.874 29.700 -0.527 0.000 0.738 481 E HN 0.558 nan 8.360 nan 0.000 0.467 482 E N 0.331 120.392 120.200 -0.232 0.000 2.347 482 E HA -0.106 4.250 4.350 0.010 0.000 0.196 482 E C 0.028 176.575 176.600 -0.089 0.000 1.008 482 E CA 0.298 56.619 56.400 -0.132 0.000 0.852 482 E CB -0.246 29.394 29.700 -0.101 0.000 0.783 482 E HN 0.063 nan 8.360 nan 0.000 0.505 483 N N 2.055 120.695 118.700 -0.099 0.000 2.411 483 N HA 0.165 4.910 4.740 0.010 0.000 0.259 483 N C -0.686 174.885 175.510 0.102 0.000 1.103 483 N CA 0.187 53.235 53.050 -0.005 0.000 0.954 483 N CB 1.085 39.555 38.487 -0.028 0.000 1.085 483 N HN 0.124 nan 8.380 nan 0.000 0.485 484 K N 1.152 121.659 120.400 0.180 0.000 2.435 484 K HA 0.486 4.812 4.320 0.010 0.000 0.251 484 K C -1.110 175.613 176.600 0.204 0.000 0.954 484 K CA -0.957 55.447 56.287 0.195 0.000 0.820 484 K CB 2.371 35.002 32.500 0.219 0.000 1.292 484 K HN 0.179 nan 8.250 nan 0.000 0.436 485 L N 3.655 124.939 121.223 0.103 0.000 2.316 485 L HA 0.529 4.874 4.340 0.010 0.000 0.280 485 L C -1.251 175.486 176.870 -0.221 0.000 1.006 485 L CA -0.140 54.583 54.840 -0.196 0.000 0.836 485 L CB 0.527 42.492 42.059 -0.156 0.000 1.221 485 L HN 0.684 nan 8.230 nan 0.000 0.418 486 W N 3.487 124.480 121.300 -0.512 0.000 3.021 486 W HA 0.684 5.351 4.660 0.011 0.000 0.337 486 W C -2.043 173.959 176.519 -0.862 0.000 1.171 486 W CA -1.206 55.867 57.345 -0.454 0.000 1.060 486 W CB 0.896 30.269 29.460 -0.144 0.000 1.472 486 W HN 0.318 nan 8.180 nan 0.000 0.594 487 F N 1.302 121.442 119.950 0.317 0.000 2.547 487 F HA 0.322 4.855 4.527 0.010 0.000 0.316 487 F C 0.743 176.723 175.800 0.299 0.000 1.121 487 F CA -0.958 57.117 58.000 0.125 0.000 0.911 487 F CB 2.025 41.069 39.000 0.073 0.000 1.179 487 F HN 0.233 nan 8.300 nan 0.000 0.443 488 S N 1.210 117.085 115.700 0.292 0.000 2.560 488 S HA 0.021 4.496 4.470 0.010 0.000 0.284 488 S C 0.790 175.541 174.600 0.251 0.000 1.327 488 S CA -0.428 57.965 58.200 0.322 0.000 1.055 488 S CB 0.309 63.612 63.200 0.172 0.000 0.868 488 S HN 0.703 nan 8.310 nan 0.000 0.506 489 D N 2.960 123.486 120.400 0.210 0.000 2.340 489 D HA 0.124 4.769 4.640 0.010 0.000 0.220 489 D C 0.807 177.169 176.300 0.102 0.000 1.039 489 D CA 0.317 54.397 54.000 0.133 0.000 0.866 489 D CB 0.220 41.078 40.800 0.098 0.000 0.913 489 D HN 0.287 nan 8.370 nan 0.000 0.523 490 K N -0.362 120.105 120.400 0.111 0.000 2.493 490 K HA 0.219 4.545 4.320 0.010 0.000 0.201 490 K C 0.477 177.124 176.600 0.078 0.000 1.355 490 K CA -0.042 56.295 56.287 0.084 0.000 0.953 490 K CB 1.141 33.690 32.500 0.082 0.000 1.316 490 K HN 0.096 nan 8.250 nan 0.000 0.522 491 I N 3.330 123.952 120.570 0.087 0.000 2.396 491 I HA 0.178 4.354 4.170 0.010 0.000 0.292 491 I C 0.601 176.762 176.117 0.074 0.000 0.999 491 I CA -0.169 61.172 61.300 0.069 0.000 1.310 491 I CB 0.980 39.013 38.000 0.054 0.000 1.404 491 I HN 0.087 nan 8.210 nan 0.000 0.496 492 T N 1.272 115.865 114.554 0.065 0.000 2.924 492 T HA 0.597 4.953 4.350 0.010 0.000 0.291 492 T C -0.356 174.388 174.700 0.073 0.000 1.045 492 T CA -0.926 61.219 62.100 0.076 0.000 1.015 492 T CB 2.301 71.208 68.868 0.066 0.000 1.103 492 T HN 0.533 nan 8.240 nan 0.000 0.496 493 D N 0.774 121.235 120.400 0.101 0.000 2.478 493 D HA 0.455 5.101 4.640 0.010 0.000 0.274 493 D C 1.571 177.916 176.300 0.075 0.000 1.234 493 D CA -0.520 53.545 54.000 0.109 0.000 1.069 493 D CB -0.020 40.888 40.800 0.180 0.000 1.113 493 D HN 0.642 nan 8.370 nan 0.000 0.571 494 A N -1.354 121.493 122.820 0.045 0.000 2.125 494 A HA -0.111 4.214 4.320 0.010 0.000 0.219 494 A C 1.052 178.470 177.584 -0.277 0.000 1.156 494 A CA 0.836 52.797 52.037 -0.126 0.000 0.671 494 A CB -0.962 17.915 19.000 -0.205 0.000 0.794 494 A HN 0.548 nan 8.150 nan 0.000 0.459 495 Y N -0.649 119.682 120.300 0.052 0.000 2.658 495 Y HA 0.219 4.775 4.550 0.009 0.000 0.276 495 Y C 0.491 176.430 175.900 0.064 0.000 1.167 495 Y CA -0.240 57.896 58.100 0.060 0.000 1.230 495 Y CB -0.687 37.798 38.460 0.041 0.000 1.144 495 Y HN 0.494 nan 8.280 nan 0.000 0.529 496 N N -0.299 118.481 118.700 0.133 0.000 2.725 496 N HA -0.179 4.567 4.740 0.010 0.000 0.249 496 N C -0.651 174.919 175.510 0.099 0.000 1.103 496 N CA 0.311 53.416 53.050 0.091 0.000 0.707 496 N CB -0.603 37.921 38.487 0.062 0.000 1.043 496 N HN 0.188 nan 8.380 nan 0.000 0.553 497 M N -0.372 119.304 119.600 0.128 0.000 2.705 497 M HA 0.458 4.944 4.480 0.010 0.000 0.311 497 M C -2.289 174.079 176.300 0.114 0.000 1.214 497 M CA -2.037 53.325 55.300 0.103 0.000 0.920 497 M CB 0.743 33.408 32.600 0.108 0.000 1.687 497 M HN -0.297 nan 8.290 nan 0.000 0.481 498 P HA 0.041 nan 4.420 nan 0.000 0.265 498 P C -0.702 176.755 177.300 0.261 0.000 1.193 498 P CA -0.027 63.172 63.100 0.164 0.000 0.765 498 P CB 0.269 32.070 31.700 0.168 0.000 0.823 499 Q N 6.511 126.420 119.800 0.182 0.000 2.286 499 Q HA 0.176 4.521 4.340 0.010 0.000 0.267 499 Q C -2.236 173.755 176.000 -0.016 0.000 1.028 499 Q CA -2.087 53.773 55.803 0.095 0.000 0.901 499 Q CB -0.256 28.491 28.738 0.014 0.000 1.183 499 Q HN 0.286 nan 8.270 nan 0.000 0.392 500 P HA 0.049 nan 4.420 nan 0.000 0.268 500 P C -1.028 175.813 177.300 -0.764 0.000 1.204 500 P CA 0.026 62.748 63.100 -0.631 0.000 0.768 500 P CB 0.848 32.270 31.700 -0.464 0.000 0.842 501 T N 3.187 117.039 114.554 -1.171 0.000 2.921 501 T HA 0.493 4.849 4.350 0.010 0.000 0.297 501 T C -0.531 173.474 174.700 -1.159 0.000 1.013 501 T CA -0.138 61.271 62.100 -1.152 0.000 0.990 501 T CB 0.460 68.301 68.868 -1.711 0.000 1.023 501 T HN 0.048 nan 8.240 nan 0.000 0.447 502 F N 1.953 121.608 119.950 -0.491 0.000 2.397 502 F HA 0.527 5.060 4.527 0.010 0.000 0.331 502 F C 0.695 176.416 175.800 -0.131 0.000 1.090 502 F CA -0.832 56.996 58.000 -0.287 0.000 1.065 502 F CB 1.054 39.948 39.000 -0.176 0.000 1.184 502 F HN 0.395 nan 8.300 nan 0.000 0.499 503 D N 3.207 123.744 120.400 0.229 0.000 2.420 503 D HA 0.236 4.882 4.640 0.010 0.000 0.255 503 D C -1.787 174.640 176.300 0.213 0.000 1.185 503 D CA -0.127 54.011 54.000 0.230 0.000 0.904 503 D CB 0.332 41.308 40.800 0.293 0.000 1.102 503 D HN 0.296 nan 8.370 nan 0.000 0.534 504 F N 3.286 123.228 119.950 -0.012 0.000 2.581 504 F HA 0.577 5.110 4.527 0.009 0.000 0.311 504 F C -1.130 174.569 175.800 -0.169 0.000 1.113 504 F CA -0.601 57.330 58.000 -0.116 0.000 0.935 504 F CB 1.399 40.273 39.000 -0.210 0.000 1.232 504 F HN 0.040 nan 8.300 nan 0.000 0.445 505 R N 4.268 124.271 120.500 -0.828 0.000 2.771 505 R HA 0.361 4.706 4.340 0.010 0.000 0.274 505 R C -1.574 174.101 176.300 -1.042 0.000 0.987 505 R CA -0.986 54.724 56.100 -0.650 0.000 0.908 505 R CB 1.816 31.951 30.300 -0.275 0.000 1.213 505 R HN 0.573 nan 8.270 nan 0.000 0.468 506 F N 2.576 122.287 119.950 -0.398 0.000 2.608 506 F HA 0.129 4.661 4.527 0.008 0.000 0.380 506 F C -1.345 174.328 175.800 -0.213 0.000 1.083 506 F CA -0.827 57.029 58.000 -0.239 0.000 1.266 506 F CB -0.202 38.773 39.000 -0.041 0.000 1.076 506 F HN 0.126 nan 8.300 nan 0.000 0.574 507 P HA 0.160 nan 4.420 nan 0.000 0.268 507 P C -0.610 176.700 177.300 0.016 0.000 1.205 507 P CA -0.151 62.930 63.100 -0.033 0.000 0.771 507 P CB 0.652 32.348 31.700 -0.007 0.000 0.858 508 A N 2.480 125.296 122.820 -0.006 0.000 2.327 508 A HA 0.633 4.959 4.320 0.010 0.000 0.255 508 A C 1.056 178.651 177.584 0.018 0.000 1.099 508 A CA 0.633 52.672 52.037 0.004 0.000 0.801 508 A CB -0.837 18.157 19.000 -0.009 0.000 1.062 508 A HN 0.798 nan 8.150 nan 0.000 0.496 509 G N -0.224 108.589 108.800 0.021 0.000 2.496 509 G HA2 -0.258 3.708 3.960 0.010 0.000 0.243 509 G HA3 -0.258 3.708 3.960 0.010 0.000 0.243 509 G C 1.050 175.977 174.900 0.045 0.000 1.176 509 G CA 0.761 45.879 45.100 0.031 0.000 0.940 509 G HN 0.986 nan 8.290 nan 0.000 0.573 510 R N -0.148 120.386 120.500 0.057 0.000 2.081 510 R HA -0.066 4.280 4.340 0.010 0.000 0.235 510 R C 2.853 179.208 176.300 0.091 0.000 1.131 510 R CA 2.637 58.782 56.100 0.074 0.000 0.960 510 R CB -0.898 29.449 30.300 0.078 0.000 0.856 510 R HN 0.630 nan 8.270 nan 0.000 0.436 511 T N 0.035 114.647 114.554 0.097 0.000 2.720 511 T HA -0.123 4.233 4.350 0.010 0.000 0.268 511 T C 1.920 176.670 174.700 0.083 0.000 1.037 511 T CA 1.854 64.027 62.100 0.121 0.000 1.144 511 T CB -0.165 68.796 68.868 0.156 0.000 0.864 511 T HN 0.252 nan 8.240 nan 0.000 0.444 512 S N 0.436 116.168 115.700 0.053 0.000 2.377 512 S HA 0.009 4.485 4.470 0.010 0.000 0.223 512 S C 2.026 176.628 174.600 0.003 0.000 1.030 512 S CA 0.888 59.088 58.200 -0.000 0.000 0.970 512 S CB -0.122 63.074 63.200 -0.008 0.000 0.830 512 S HN 0.562 nan 8.310 nan 0.000 0.473 513 K N 1.580 122.001 120.400 0.035 0.000 2.057 513 K HA -0.089 4.237 4.320 0.010 0.000 0.207 513 K C 1.819 178.467 176.600 0.079 0.000 1.049 513 K CA 1.446 57.761 56.287 0.047 0.000 0.931 513 K CB -0.125 32.407 32.500 0.055 0.000 0.714 513 K HN 0.305 nan 8.250 nan 0.000 0.440 514 E N 0.025 120.298 120.200 0.121 0.000 2.110 514 E HA -0.177 4.178 4.350 0.010 0.000 0.193 514 E C 1.981 178.648 176.600 0.111 0.000 0.988 514 E CA 0.971 57.495 56.400 0.207 0.000 0.804 514 E CB -0.101 29.758 29.700 0.266 0.000 0.745 514 E HN 0.493 nan 8.360 nan 0.000 0.458 515 A N 1.322 124.180 122.820 0.064 0.000 1.877 515 A HA -0.230 4.095 4.320 0.010 0.000 0.216 515 A C 2.085 179.721 177.584 0.088 0.000 1.186 515 A CA 1.700 53.771 52.037 0.057 0.000 0.620 515 A CB -0.344 18.655 19.000 -0.003 0.000 0.822 515 A HN 0.119 nan 8.150 nan 0.000 0.443 516 E N 0.542 120.783 120.200 0.068 0.000 2.107 516 E HA -0.144 4.212 4.350 0.010 0.000 0.191 516 E C 1.316 177.888 176.600 -0.047 0.000 0.982 516 E CA 1.471 57.914 56.400 0.070 0.000 0.809 516 E CB -0.304 29.409 29.700 0.023 0.000 0.756 516 E HN 0.514 nan 8.360 nan 0.000 0.459 517 D N -0.069 120.298 120.400 -0.056 0.000 2.144 517 D HA -0.184 4.461 4.640 0.010 0.000 0.199 517 D C 1.914 177.964 176.300 -0.417 0.000 0.984 517 D CA 1.108 55.057 54.000 -0.084 0.000 0.834 517 D CB -0.322 40.554 40.800 0.126 0.000 0.955 517 D HN 0.320 nan 8.370 nan 0.000 0.465 518 M N -0.168 118.957 119.600 -0.792 0.000 2.067 518 M HA -0.232 4.253 4.480 0.010 0.000 0.260 518 M C 2.123 178.003 176.300 -0.701 0.000 1.069 518 M CA 1.360 55.864 55.300 -1.328 0.000 1.117 518 M CB -0.049 31.966 32.600 -0.974 0.000 1.334 518 M HN -0.034 nan 8.290 nan 0.000 0.407 519 M N 0.477 119.780 119.600 -0.495 0.000 2.089 519 M HA -0.203 4.282 4.480 0.010 0.000 0.257 519 M C 1.799 177.884 176.300 -0.359 0.000 1.071 519 M CA 2.580 57.594 55.300 -0.477 0.000 1.096 519 M CB -1.068 31.316 32.600 -0.361 0.000 1.330 519 M HN 0.324 nan 8.290 nan 0.000 0.403 520 T N -0.173 114.238 114.554 -0.238 0.000 2.720 520 T HA -0.169 4.187 4.350 0.010 0.000 0.268 520 T C 1.493 176.124 174.700 -0.115 0.000 1.037 520 T CA 1.800 63.815 62.100 -0.143 0.000 1.144 520 T CB -0.595 68.234 68.868 -0.065 0.000 0.864 520 T HN 0.553 nan 8.240 nan 0.000 0.444 521 D N 0.439 120.774 120.400 -0.108 0.000 2.144 521 D HA -0.033 4.612 4.640 0.010 0.000 0.200 521 D C 2.057 178.371 176.300 0.024 0.000 0.978 521 D CA 0.706 54.769 54.000 0.104 0.000 0.833 521 D CB -0.212 40.794 40.800 0.344 0.000 0.961 521 D HN 0.303 nan 8.370 nan 0.000 0.470 522 M N -0.534 118.818 119.600 -0.414 0.000 2.117 522 M HA -0.170 4.315 4.480 0.010 0.000 0.262 522 M C 1.841 177.852 176.300 -0.481 0.000 1.065 522 M CA 1.402 56.163 55.300 -0.898 0.000 1.114 522 M CB -0.137 31.660 32.600 -1.339 0.000 1.361 522 M HN 0.179 nan 8.290 nan 0.000 0.408 523 C N -0.428 118.688 119.300 -0.307 0.000 2.446 523 C HA -0.071 4.395 4.460 0.010 0.000 0.277 523 C C 2.672 177.578 174.990 -0.139 0.000 1.275 523 C CA 0.645 59.582 59.018 -0.135 0.000 1.727 523 C CB -0.899 26.814 27.740 -0.045 0.000 2.010 523 C HN 0.495 nan 8.230 nan 0.000 0.486 524 V N 0.702 120.565 119.914 -0.086 0.000 2.295 524 V HA -0.297 3.828 4.120 0.010 0.000 0.246 524 V C 2.422 178.512 176.094 -0.008 0.000 1.049 524 V CA 2.296 64.578 62.300 -0.030 0.000 1.024 524 V CB -0.623 31.231 31.823 0.050 0.000 0.648 524 V HN 0.586 nan 8.190 nan 0.000 0.447 525 M N 0.528 120.167 119.600 0.064 0.000 2.123 525 M HA -0.146 4.339 4.480 0.010 0.000 0.263 525 M C 2.462 178.687 176.300 -0.124 0.000 1.069 525 M CA 2.249 57.675 55.300 0.210 0.000 1.133 525 M CB -0.173 32.723 32.600 0.493 0.000 1.356 525 M HN 0.546 nan 8.290 nan 0.000 0.415 526 S N 0.481 115.781 115.700 -0.666 0.000 2.423 526 S HA -0.036 4.440 4.470 0.010 0.000 0.231 526 S C 1.961 176.201 174.600 -0.600 0.000 1.014 526 S CA 0.907 58.288 58.200 -1.366 0.000 0.965 526 S CB -0.802 61.287 63.200 -1.852 0.000 0.785 526 S HN 0.554 nan 8.310 nan 0.000 0.495 527 A N 1.845 124.416 122.820 -0.414 0.000 2.076 527 A HA -0.025 4.300 4.320 0.010 0.000 0.220 527 A C 2.154 179.632 177.584 -0.177 0.000 1.160 527 A CA 1.453 53.301 52.037 -0.315 0.000 0.653 527 A CB -0.543 18.294 19.000 -0.271 0.000 0.801 527 A HN 0.629 nan 8.150 nan 0.000 0.455 528 K N -0.759 119.582 120.400 -0.099 0.000 2.366 528 K HA 0.091 4.416 4.320 0.010 0.000 0.198 528 K C 1.155 177.763 176.600 0.014 0.000 1.044 528 K CA 0.554 56.824 56.287 -0.028 0.000 0.973 528 K CB 0.075 32.596 32.500 0.034 0.000 0.767 528 K HN 0.399 nan 8.250 nan 0.000 0.475 529 I N -0.744 119.853 120.570 0.045 0.000 3.039 529 I HA 0.163 4.339 4.170 0.010 0.000 0.270 529 I C 1.104 177.255 176.117 0.056 0.000 1.150 529 I CA 0.592 61.966 61.300 0.124 0.000 1.448 529 I CB -0.086 38.133 38.000 0.365 0.000 1.197 529 I HN 0.077 nan 8.210 nan 0.000 0.450 530 G N -0.652 108.133 108.800 -0.025 0.000 2.356 530 G HA2 0.463 4.429 3.960 0.010 0.000 0.294 530 G HA3 0.463 4.429 3.960 0.010 0.000 0.294 530 G C -0.535 174.247 174.900 -0.197 0.000 1.423 530 G CA -0.182 44.878 45.100 -0.067 0.000 0.806 530 G HN 0.283 nan 8.290 nan 0.000 0.527 531 G N -1.021 107.651 108.800 -0.214 0.000 2.636 531 G HA2 0.493 4.459 3.960 0.010 0.000 0.246 531 G HA3 0.493 4.459 3.960 0.010 0.000 0.246 531 G C -0.192 174.565 174.900 -0.240 0.000 1.216 531 G CA -0.393 44.498 45.100 -0.349 0.000 0.854 531 G HN 0.441 nan 8.290 nan 0.000 0.572 532 F N -0.623 119.238 119.950 -0.148 0.000 2.563 532 F HA 0.183 4.717 4.527 0.011 0.000 0.363 532 F C 0.733 176.475 175.800 -0.097 0.000 1.123 532 F CA -0.856 57.050 58.000 -0.157 0.000 1.307 532 F CB 0.620 39.513 39.000 -0.179 0.000 1.115 532 F HN 0.169 nan 8.300 nan 0.000 0.592 533 L N 6.219 127.508 121.223 0.110 0.000 2.361 533 L HA 0.382 4.728 4.340 0.010 0.000 0.278 533 L C -2.356 174.539 176.870 0.042 0.000 1.113 533 L CA -1.891 52.984 54.840 0.058 0.000 0.849 533 L CB 0.025 42.112 42.059 0.047 0.000 1.155 533 L HN 0.297 nan 8.230 nan 0.000 0.452 534 P HA 0.165 nan 4.420 nan 0.000 0.262 534 P C 0.622 177.930 177.300 0.014 0.000 1.182 534 P CA 1.154 64.267 63.100 0.022 0.000 0.761 534 P CB 0.570 32.283 31.700 0.021 0.000 0.795 535 G N 2.117 110.917 108.800 0.000 0.000 2.217 535 G HA2 -0.231 3.734 3.960 0.010 0.000 0.246 535 G HA3 -0.231 3.734 3.960 0.010 0.000 0.246 535 G C 0.457 175.362 174.900 0.008 0.000 0.990 535 G CA 0.197 45.303 45.100 0.009 0.000 0.627 535 G HN 0.523 nan 8.290 nan 0.000 0.522 536 S N 0.800 116.477 115.700 -0.038 0.000 2.474 536 S HA 0.526 5.002 4.470 0.010 0.000 0.224 536 S C 0.416 174.848 174.600 -0.280 0.000 1.209 536 S CA -0.544 57.588 58.200 -0.114 0.000 1.212 536 S CB 0.312 63.449 63.200 -0.106 0.000 1.137 536 S HN 0.469 nan 8.310 nan 0.000 0.446 537 L N 2.605 123.670 121.223 -0.264 0.000 2.466 537 L HA 0.384 4.730 4.340 0.010 0.000 0.257 537 L C -1.984 174.544 176.870 -0.570 0.000 1.189 537 L CA -2.286 52.287 54.840 -0.444 0.000 0.813 537 L CB -0.009 41.868 42.059 -0.303 0.000 1.118 537 L HN 0.083 nan 8.230 nan 0.000 0.471 538 P HA 0.003 nan 4.420 nan 0.000 0.263 538 P C -1.479 175.557 177.300 -0.440 0.000 1.195 538 P CA 0.124 62.804 63.100 -0.699 0.000 0.762 538 P CB 0.535 31.736 31.700 -0.831 0.000 0.799 539 Q N 1.790 121.364 119.800 -0.375 0.000 2.522 539 Q HA 0.489 4.835 4.340 0.010 0.000 0.285 539 Q C -1.430 174.384 176.000 -0.310 0.000 0.982 539 Q CA -0.923 54.738 55.803 -0.236 0.000 0.805 539 Q CB 0.755 29.421 28.738 -0.120 0.000 1.457 539 Q HN 0.112 nan 8.270 nan 0.000 0.394 540 F N 1.440 121.288 119.950 -0.170 0.000 2.412 540 F HA 0.311 4.842 4.527 0.007 0.000 0.348 540 F C 0.470 176.171 175.800 -0.166 0.000 1.102 540 F CA -0.384 57.510 58.000 -0.177 0.000 1.196 540 F CB 1.008 39.903 39.000 -0.174 0.000 1.144 540 F HN 0.394 nan 8.300 nan 0.000 0.541 541 M N 1.806 121.362 119.600 -0.074 0.000 2.255 541 M HA 0.177 4.663 4.480 0.010 0.000 0.336 541 M C 0.075 176.318 176.300 -0.096 0.000 1.135 541 M CA -0.926 54.260 55.300 -0.192 0.000 1.145 541 M CB 0.484 32.825 32.600 -0.431 0.000 1.473 541 M HN 0.465 nan 8.290 nan 0.000 0.462 542 E N 2.336 122.463 120.200 -0.121 0.000 2.502 542 E HA 0.050 4.406 4.350 0.010 0.000 0.261 542 E C -2.229 174.342 176.600 -0.049 0.000 0.974 542 E CA -0.585 55.776 56.400 -0.065 0.000 0.936 542 E CB -0.342 29.310 29.700 -0.080 0.000 0.926 542 E HN 0.250 nan 8.360 nan 0.000 0.459 543 P HA 0.057 nan 4.420 nan 0.000 0.266 543 P C 0.608 177.825 177.300 -0.138 0.000 1.215 543 P CA 0.973 64.086 63.100 0.022 0.000 0.763 543 P CB 0.749 32.466 31.700 0.029 0.000 0.806 544 G N 2.659 111.378 108.800 -0.135 0.000 2.234 544 G HA2 -0.303 3.663 3.960 0.010 0.000 0.235 544 G HA3 -0.303 3.663 3.960 0.010 0.000 0.235 544 G C 0.775 175.621 174.900 -0.090 0.000 0.997 544 G CA 0.061 45.052 45.100 -0.182 0.000 0.623 544 G HN 0.494 nan 8.290 nan 0.000 0.514 545 L N 1.085 122.255 121.223 -0.088 0.000 2.187 545 L HA 0.115 4.461 4.340 0.010 0.000 0.213 545 L C 2.852 179.719 176.870 -0.005 0.000 1.100 545 L CA 2.385 57.188 54.840 -0.062 0.000 0.765 545 L CB -0.455 41.494 42.059 -0.184 0.000 0.904 545 L HN 0.447 nan 8.230 nan 0.000 0.437 546 V N -0.489 119.395 119.914 -0.049 0.000 2.626 546 V HA -0.145 3.980 4.120 0.010 0.000 0.252 546 V C 1.568 177.610 176.094 -0.086 0.000 1.067 546 V CA 1.032 63.290 62.300 -0.070 0.000 1.081 546 V CB -0.186 31.587 31.823 -0.083 0.000 0.686 546 V HN 0.476 nan 8.190 nan 0.000 0.468 547 L N 0.043 121.283 121.223 0.029 0.000 3.608 547 L HA -0.236 4.110 4.340 0.010 0.000 0.422 547 L C 0.253 177.322 176.870 0.332 0.000 1.260 547 L CA 0.812 55.745 54.840 0.154 0.000 0.889 547 L CB -2.353 39.833 42.059 0.211 0.000 1.821 547 L HN 0.572 nan 8.230 nan 0.000 0.884 548 H N -0.815 118.374 119.070 0.197 0.000 2.492 548 H HA 0.258 4.821 4.556 0.011 0.000 0.264 548 H C 0.485 175.954 175.328 0.234 0.000 1.150 548 H CA -1.052 55.150 56.048 0.257 0.000 0.962 548 H CB 0.766 30.714 29.762 0.310 0.000 1.766 548 H HN 0.185 nan 8.280 nan 0.000 0.589 549 L N 1.905 123.279 121.223 0.252 0.000 2.578 549 L HA 0.180 4.526 4.340 0.010 0.000 0.279 549 L C 0.608 177.619 176.870 0.235 0.000 1.227 549 L CA 0.885 55.824 54.840 0.165 0.000 0.900 549 L CB 0.358 42.475 42.059 0.098 0.000 1.144 549 L HN 0.308 nan 8.230 nan 0.000 0.496 550 G N 1.732 110.676 108.800 0.241 0.000 2.798 550 G HA2 0.541 4.507 3.960 0.010 0.000 0.286 550 G HA3 0.541 4.507 3.960 0.010 0.000 0.286 550 G C 0.280 175.284 174.900 0.173 0.000 1.389 550 G CA -0.307 44.951 45.100 0.262 0.000 0.894 550 G HN 1.350 nan 8.290 nan 0.000 0.488 551 G N -1.380 107.490 108.800 0.115 0.000 2.162 551 G HA2 -0.224 3.742 3.960 0.010 0.000 0.260 551 G HA3 -0.224 3.742 3.960 0.010 0.000 0.260 551 G C 1.279 176.243 174.900 0.107 0.000 0.976 551 G CA 1.602 46.778 45.100 0.126 0.000 0.655 551 G HN 1.881 nan 8.290 nan 0.000 0.533 552 T N -2.155 112.409 114.554 0.017 0.000 3.055 552 T HA 0.193 4.549 4.350 0.010 0.000 0.265 552 T C 1.016 175.805 174.700 0.147 0.000 1.111 552 T CA 1.719 63.869 62.100 0.084 0.000 1.118 552 T CB -0.248 68.673 68.868 0.088 0.000 0.909 552 T HN 1.447 nan 8.240 nan 0.000 0.501 553 H N -0.146 118.997 119.070 0.123 0.000 2.695 553 H HA 0.452 5.014 4.556 0.010 0.000 0.222 553 H C -0.147 175.228 175.328 0.079 0.000 1.412 553 H CA -1.320 54.777 56.048 0.081 0.000 1.347 553 H CB -0.324 29.450 29.762 0.019 0.000 1.858 553 H HN 0.320 nan 8.280 nan 0.000 0.519 554 R N 0.607 121.201 120.500 0.156 0.000 2.641 554 R HA 0.283 4.629 4.340 0.010 0.000 0.269 554 R C -0.285 176.083 176.300 0.113 0.000 1.074 554 R CA -0.695 55.468 56.100 0.105 0.000 1.133 554 R CB 0.967 31.321 30.300 0.090 0.000 1.029 554 R HN 0.444 nan 8.270 nan 0.000 0.488 555 M N 1.307 120.950 119.600 0.072 0.000 2.250 555 M HA 0.403 4.888 4.480 0.010 0.000 0.344 555 M C -0.327 175.977 176.300 0.006 0.000 1.150 555 M CA 0.471 55.791 55.300 0.032 0.000 1.147 555 M CB 1.372 33.963 32.600 -0.014 0.000 1.498 555 M HN 0.966 nan 8.290 nan 0.000 0.461 556 G N 2.104 110.908 108.800 0.007 0.000 2.495 556 G HA2 0.355 4.321 3.960 0.010 0.000 0.294 556 G HA3 0.355 4.321 3.960 0.010 0.000 0.294 556 G C -0.896 174.004 174.900 0.001 0.000 1.397 556 G CA -0.737 44.319 45.100 -0.075 0.000 0.790 556 G HN 0.655 nan 8.290 nan 0.000 0.486 557 F N -0.008 120.050 119.950 0.181 0.000 2.234 557 F HA 0.256 4.789 4.527 0.010 0.000 0.296 557 F C 1.130 177.075 175.800 0.243 0.000 1.089 557 F CA 1.194 59.308 58.000 0.191 0.000 1.343 557 F CB 0.393 39.456 39.000 0.106 0.000 1.040 557 F HN 0.386 nan 8.300 nan 0.000 0.498 558 D N -1.040 119.518 120.400 0.264 0.000 2.788 558 D HA 0.115 4.761 4.640 0.010 0.000 0.247 558 D C 0.694 176.790 176.300 -0.339 0.000 1.236 558 D CA -0.240 53.735 54.000 -0.041 0.000 0.898 558 D CB 1.206 42.017 40.800 0.018 0.000 1.401 558 D HN 0.095 nan 8.370 nan 0.000 0.549 559 E N 3.164 122.793 120.200 -0.951 0.000 2.097 559 E HA -0.290 4.066 4.350 0.010 0.000 0.196 559 E C 1.178 177.599 176.600 -0.298 0.000 1.000 559 E CA 1.322 57.217 56.400 -0.842 0.000 0.804 559 E CB 0.298 29.394 29.700 -1.006 0.000 0.740 559 E HN 0.405 nan 8.360 nan 0.000 0.454 560 K N 0.094 120.364 120.400 -0.218 0.000 2.005 560 K HA -0.088 4.237 4.320 0.010 0.000 0.206 560 K C 2.215 178.781 176.600 -0.055 0.000 1.044 560 K CA 1.241 57.470 56.287 -0.097 0.000 0.942 560 K CB 0.053 32.509 32.500 -0.073 0.000 0.727 560 K HN 0.069 nan 8.250 nan 0.000 0.439 561 E N 0.293 120.465 120.200 -0.047 0.000 2.110 561 E HA -0.156 4.200 4.350 0.010 0.000 0.193 561 E C 0.622 177.217 176.600 -0.008 0.000 0.988 561 E CA 1.138 57.532 56.400 -0.011 0.000 0.804 561 E CB 0.151 29.857 29.700 0.010 0.000 0.745 561 E HN 0.335 nan 8.360 nan 0.000 0.458 562 D N 0.226 120.616 120.400 -0.016 0.000 2.342 562 D HA 0.024 4.670 4.640 0.010 0.000 0.221 562 D C -0.633 175.603 176.300 -0.105 0.000 1.101 562 D CA 0.014 54.001 54.000 -0.022 0.000 0.837 562 D CB -0.140 40.687 40.800 0.045 0.000 0.938 562 D HN 0.141 nan 8.370 nan 0.000 0.508 563 N N 0.638 119.272 118.700 -0.110 0.000 2.669 563 N HA -0.201 4.544 4.740 0.010 0.000 0.266 563 N C -0.176 175.254 175.510 -0.133 0.000 1.024 563 N CA 0.503 53.464 53.050 -0.148 0.000 0.766 563 N CB -1.496 36.771 38.487 -0.366 0.000 0.898 563 N HN 0.411 nan 8.380 nan 0.000 0.548 564 C N -3.153 116.147 119.300 -0.000 0.000 3.285 564 C HA 0.760 5.226 4.460 0.010 0.000 0.320 564 C C 1.348 176.492 174.990 0.256 0.000 1.411 564 C CA -0.681 58.405 59.018 0.114 0.000 1.429 564 C CB 1.503 29.329 27.740 0.143 0.000 1.812 564 C HN 0.514 nan 8.230 nan 0.000 0.454 565 C N 0.337 119.822 119.300 0.308 0.000 2.800 565 C HA 0.495 4.961 4.460 0.010 0.000 0.379 565 C C 0.707 175.846 174.990 0.247 0.000 1.304 565 C CA 0.621 59.827 59.018 0.313 0.000 1.960 565 C CB -0.409 27.444 27.740 0.189 0.000 2.599 565 C HN 0.972 nan 8.230 nan 0.000 0.578 566 V N 1.198 121.156 119.914 0.074 0.000 2.962 566 V HA 0.710 4.836 4.120 0.010 0.000 0.313 566 V C -0.826 174.998 176.094 -0.450 0.000 1.099 566 V CA -0.666 61.436 62.300 -0.329 0.000 0.971 566 V CB 1.563 33.286 31.823 -0.167 0.000 1.028 566 V HN 0.400 nan 8.190 nan 0.000 0.430 567 N N 0.838 119.075 118.700 -0.773 0.000 2.431 567 N HA 0.280 5.026 4.740 0.010 0.000 0.289 567 N C 0.979 176.351 175.510 -0.229 0.000 1.277 567 N CA 0.202 52.998 53.050 -0.424 0.000 0.972 567 N CB -0.057 38.172 38.487 -0.430 0.000 1.143 567 N HN 0.931 nan 8.380 nan 0.000 0.578 568 T N -4.818 109.642 114.554 -0.158 0.000 3.160 568 T HA 0.049 4.404 4.350 0.010 0.000 0.257 568 T C -0.009 174.612 174.700 -0.131 0.000 1.147 568 T CA 0.417 62.424 62.100 -0.156 0.000 1.064 568 T CB -0.403 68.380 68.868 -0.142 0.000 0.949 568 T HN 0.426 nan 8.240 nan 0.000 0.526 569 D N 1.268 121.583 120.400 -0.142 0.000 2.342 569 D HA 0.182 4.828 4.640 0.010 0.000 0.221 569 D C 0.504 176.802 176.300 -0.004 0.000 1.101 569 D CA 0.037 53.971 54.000 -0.110 0.000 0.837 569 D CB 0.074 40.707 40.800 -0.277 0.000 0.938 569 D HN 0.320 nan 8.370 nan 0.000 0.508 570 S N 0.380 116.054 115.700 -0.044 0.000 3.473 570 S HA -0.274 4.202 4.470 0.010 0.000 0.339 570 S C 0.575 175.184 174.600 0.015 0.000 1.148 570 S CA 0.511 58.722 58.200 0.018 0.000 0.969 570 S CB -1.348 61.931 63.200 0.132 0.000 0.936 570 S HN 0.473 nan 8.310 nan 0.000 0.530 571 R N 0.901 121.294 120.500 -0.179 0.000 2.349 571 R HA 0.470 4.816 4.340 0.010 0.000 0.299 571 R C -0.064 175.952 176.300 -0.473 0.000 1.027 571 R CA -0.471 55.356 56.100 -0.454 0.000 0.958 571 R CB 0.723 30.706 30.300 -0.527 0.000 1.047 571 R HN 0.136 nan 8.270 nan 0.000 0.468 572 V N 6.178 125.843 119.914 -0.415 0.000 2.529 572 V HA 0.007 4.133 4.120 0.010 0.000 0.292 572 V C 0.144 176.186 176.094 -0.086 0.000 1.028 572 V CA 0.240 62.383 62.300 -0.261 0.000 1.074 572 V CB -0.090 31.567 31.823 -0.278 0.000 0.958 572 V HN 0.574 nan 8.190 nan 0.000 0.481 573 F N 3.985 123.984 119.950 0.082 0.000 2.623 573 F HA 0.367 4.899 4.527 0.009 0.000 0.383 573 F C 1.592 177.521 175.800 0.215 0.000 1.077 573 F CA 1.677 59.747 58.000 0.117 0.000 1.268 573 F CB -0.006 39.054 39.000 0.100 0.000 1.053 573 F HN 0.785 nan 8.300 nan 0.000 0.571 574 G N 2.058 111.039 108.800 0.303 0.000 2.268 574 G HA2 -0.297 3.668 3.960 0.010 0.000 0.240 574 G HA3 -0.297 3.668 3.960 0.010 0.000 0.240 574 G C -0.089 174.757 174.900 -0.089 0.000 1.010 574 G CA -0.418 44.750 45.100 0.114 0.000 0.618 574 G HN 0.430 nan 8.290 nan 0.000 0.516 575 F N 0.582 120.554 119.950 0.037 0.000 2.436 575 F HA 0.729 5.262 4.527 0.010 0.000 0.340 575 F C 1.117 176.904 175.800 -0.022 0.000 1.113 575 F CA -0.970 57.038 58.000 0.013 0.000 1.022 575 F CB 1.884 40.890 39.000 0.009 0.000 1.128 575 F HN -0.230 nan 8.300 nan 0.000 0.466 576 K N 1.391 121.890 120.400 0.164 0.000 2.296 576 K HA -0.010 4.316 4.320 0.010 0.000 0.200 576 K C 0.794 177.584 176.600 0.318 0.000 1.048 576 K CA 0.750 57.160 56.287 0.205 0.000 0.966 576 K CB -0.196 32.417 32.500 0.187 0.000 0.754 576 K HN 0.598 nan 8.250 nan 0.000 0.466 577 N N -0.306 118.543 118.700 0.249 0.000 2.390 577 N HA 0.070 4.816 4.740 0.010 0.000 0.259 577 N C -0.979 174.591 175.510 0.100 0.000 1.395 577 N CA -0.404 52.819 53.050 0.288 0.000 0.852 577 N CB -0.121 38.619 38.487 0.421 0.000 1.371 577 N HN -0.018 nan 8.380 nan 0.000 0.491 578 L N 0.451 121.521 121.223 -0.256 0.000 2.356 578 L HA 0.745 5.091 4.340 0.010 0.000 0.277 578 L C -1.860 174.612 176.870 -0.664 0.000 0.996 578 L CA -0.562 54.118 54.840 -0.265 0.000 0.822 578 L CB 1.025 42.937 42.059 -0.246 0.000 1.256 578 L HN -0.015 nan 8.230 nan 0.000 0.413 579 F N 4.893 124.758 119.950 -0.142 0.000 2.576 579 F HA 0.671 5.204 4.527 0.009 0.000 0.313 579 F C -0.689 174.954 175.800 -0.261 0.000 1.078 579 F CA -0.689 57.204 58.000 -0.177 0.000 0.921 579 F CB 1.949 40.867 39.000 -0.137 0.000 1.232 579 F HN 0.194 nan 8.300 nan 0.000 0.459 580 L N 2.088 123.271 121.223 -0.067 0.000 2.362 580 L HA 0.824 5.169 4.340 0.010 0.000 0.275 580 L C 0.017 176.893 176.870 0.010 0.000 0.998 580 L CA -0.761 53.970 54.840 -0.182 0.000 0.820 580 L CB 1.861 43.673 42.059 -0.412 0.000 1.270 580 L HN 0.793 nan 8.230 nan 0.000 0.415 581 G N 0.669 109.489 108.800 0.034 0.000 2.453 581 G HA2 0.821 4.786 3.960 0.010 0.000 0.323 581 G HA3 0.821 4.786 3.960 0.010 0.000 0.323 581 G C -0.410 174.618 174.900 0.212 0.000 1.198 581 G CA -0.290 44.937 45.100 0.211 0.000 0.959 581 G HN 0.948 nan 8.290 nan 0.000 0.482 582 G N -1.391 107.528 108.800 0.198 0.000 2.353 582 G HA2 0.065 4.031 3.960 0.010 0.000 0.424 582 G HA3 0.065 4.031 3.960 0.010 0.000 0.424 582 G C 0.693 175.653 174.900 0.099 0.000 1.320 582 G CA 0.049 45.242 45.100 0.155 0.000 0.995 582 G HN 1.089 nan 8.290 nan 0.000 0.580 583 C N 0.541 119.878 119.300 0.062 0.000 2.419 583 C HA 0.202 4.668 4.460 0.010 0.000 0.283 583 C C 3.017 177.990 174.990 -0.028 0.000 1.373 583 C CA 1.822 60.853 59.018 0.022 0.000 1.781 583 C CB -1.278 26.512 27.740 0.085 0.000 1.886 583 C HN 1.246 nan 8.230 nan 0.000 0.520 584 G N 1.218 109.918 108.800 -0.166 0.000 2.470 584 G HA2 -0.209 3.757 3.960 0.010 0.000 0.220 584 G HA3 -0.209 3.757 3.960 0.010 0.000 0.220 584 G C 1.395 175.927 174.900 -0.613 0.000 1.121 584 G CA 0.685 45.433 45.100 -0.587 0.000 0.766 584 G HN 0.552 nan 8.290 nan 0.000 0.553 585 N N 0.459 119.021 118.700 -0.229 0.000 2.309 585 N HA -0.016 4.730 4.740 0.010 0.000 0.182 585 N C 0.922 176.447 175.510 0.025 0.000 1.018 585 N CA 0.280 53.343 53.050 0.022 0.000 0.876 585 N CB -0.029 38.521 38.487 0.105 0.000 0.972 585 N HN 0.319 nan 8.380 nan 0.000 0.434 586 I N 2.957 123.539 120.570 0.019 0.000 2.436 586 I HA 0.036 4.212 4.170 0.010 0.000 0.289 586 I C -1.348 174.858 176.117 0.148 0.000 1.083 586 I CA -1.038 60.298 61.300 0.060 0.000 1.372 586 I CB 1.264 39.237 38.000 -0.044 0.000 1.408 586 I HN -0.054 nan 8.210 nan 0.000 0.516 587 P HA 0.065 nan 4.420 nan 0.000 0.267 587 P C 0.186 177.579 177.300 0.156 0.000 1.289 587 P CA 0.215 63.389 63.100 0.124 0.000 0.866 587 P CB 0.233 31.967 31.700 0.057 0.000 1.309 588 T N -2.482 112.202 114.554 0.216 0.000 2.923 588 T HA 0.705 5.061 4.350 0.010 0.000 0.281 588 T C 0.071 174.920 174.700 0.248 0.000 0.995 588 T CA -0.927 61.289 62.100 0.195 0.000 0.985 588 T CB 1.333 70.295 68.868 0.157 0.000 1.114 588 T HN 0.039 nan 8.240 nan 0.000 0.548 589 A N 1.780 124.678 122.820 0.131 0.000 2.310 589 A HA 0.605 4.931 4.320 0.010 0.000 0.300 589 A C -0.655 176.918 177.584 -0.018 0.000 1.269 589 A CA -0.830 51.235 52.037 0.046 0.000 0.909 589 A CB -0.956 18.086 19.000 0.071 0.000 1.144 589 A HN 0.877 nan 8.150 nan 0.000 0.540 590 Y N -0.233 120.003 120.300 -0.107 0.000 2.462 590 Y HA 0.713 5.269 4.550 0.010 0.000 0.346 590 Y C 0.704 176.504 175.900 -0.166 0.000 0.976 590 Y CA -0.686 57.177 58.100 -0.395 0.000 1.044 590 Y CB 1.468 39.517 38.460 -0.685 0.000 1.230 590 Y HN 0.374 nan 8.280 nan 0.000 0.455 591 G N 0.787 109.521 108.800 -0.109 0.000 2.709 591 G HA2 0.399 4.365 3.960 0.010 0.000 0.208 591 G HA3 0.399 4.365 3.960 0.010 0.000 0.208 591 G C 0.421 175.403 174.900 0.136 0.000 1.129 591 G CA 0.197 45.404 45.100 0.177 0.000 0.793 591 G HN 0.949 nan 8.290 nan 0.000 0.524 592 A N 0.753 123.477 122.820 -0.160 0.000 2.296 592 A HA 0.499 4.825 4.320 0.010 0.000 0.264 592 A C -0.103 177.399 177.584 -0.135 0.000 1.097 592 A CA -0.546 51.289 52.037 -0.337 0.000 0.811 592 A CB 0.076 18.836 19.000 -0.400 0.000 1.072 592 A HN 0.340 nan 8.150 nan 0.000 0.495 593 N N 1.739 120.240 118.700 -0.332 0.000 2.468 593 N HA 0.225 4.971 4.740 0.010 0.000 0.265 593 N C -2.065 173.379 175.510 -0.111 0.000 1.199 593 N CA -0.922 51.929 53.050 -0.333 0.000 0.928 593 N CB 0.369 38.729 38.487 -0.212 0.000 1.059 593 N HN 0.386 nan 8.380 nan 0.000 0.467 594 P HA -0.035 nan 4.420 nan 0.000 0.231 594 P C 0.564 177.773 177.300 -0.151 0.000 1.168 594 P CA 0.772 63.786 63.100 -0.143 0.000 0.779 594 P CB 0.279 31.890 31.700 -0.149 0.000 0.844 595 T N 0.953 115.494 114.554 -0.021 0.000 2.746 595 T HA -0.137 4.219 4.350 0.010 0.000 0.267 595 T C 1.776 176.561 174.700 0.141 0.000 1.039 595 T CA 0.991 63.135 62.100 0.073 0.000 1.142 595 T CB -0.842 68.108 68.868 0.136 0.000 0.866 595 T HN 0.020 nan 8.240 nan 0.000 0.444 596 L N 0.959 122.271 121.223 0.148 0.000 2.083 596 L HA -0.093 4.253 4.340 0.010 0.000 0.209 596 L C 2.506 179.462 176.870 0.143 0.000 1.083 596 L CA 1.700 56.687 54.840 0.245 0.000 0.752 596 L CB -0.924 41.253 42.059 0.197 0.000 0.899 596 L HN 0.184 nan 8.230 nan 0.000 0.433 597 T N -0.585 113.926 114.554 -0.071 0.000 2.777 597 T HA -0.084 4.271 4.350 0.010 0.000 0.266 597 T C 1.890 176.521 174.700 -0.116 0.000 1.040 597 T CA 1.113 63.090 62.100 -0.205 0.000 1.141 597 T CB -0.372 67.962 68.868 -0.891 0.000 0.868 597 T HN 0.510 nan 8.240 nan 0.000 0.444 598 A N 1.506 124.261 122.820 -0.109 0.000 1.933 598 A HA -0.039 4.286 4.320 0.010 0.000 0.218 598 A C 2.295 179.860 177.584 -0.031 0.000 1.175 598 A CA 1.667 53.677 52.037 -0.045 0.000 0.628 598 A CB -0.699 18.294 19.000 -0.012 0.000 0.814 598 A HN 0.514 nan 8.150 nan 0.000 0.444 599 M N -0.266 119.332 119.600 -0.004 0.000 2.159 599 M HA -0.138 4.347 4.480 0.010 0.000 0.263 599 M C 2.068 178.290 176.300 -0.130 0.000 1.063 599 M CA 2.038 57.309 55.300 -0.049 0.000 1.110 599 M CB -0.135 32.462 32.600 -0.006 0.000 1.374 599 M HN 0.386 nan 8.290 nan 0.000 0.411 600 S N 1.119 116.741 115.700 -0.129 0.000 2.368 600 S HA -0.095 4.381 4.470 0.010 0.000 0.224 600 S C 1.747 176.155 174.600 -0.319 0.000 1.029 600 S CA 1.268 59.318 58.200 -0.250 0.000 0.988 600 S CB -0.494 62.505 63.200 -0.335 0.000 0.838 600 S HN 0.509 nan 8.310 nan 0.000 0.462 601 L N 1.231 122.304 121.223 -0.251 0.000 2.079 601 L HA -0.176 4.169 4.340 0.010 0.000 0.210 601 L C 2.795 179.533 176.870 -0.221 0.000 1.081 601 L CA 1.229 55.927 54.840 -0.236 0.000 0.752 601 L CB -0.747 41.245 42.059 -0.112 0.000 0.896 601 L HN 0.329 nan 8.230 nan 0.000 0.433 602 A N 0.412 123.096 122.820 -0.227 0.000 1.877 602 A HA -0.180 4.145 4.320 0.010 0.000 0.216 602 A C 2.212 179.467 177.584 -0.547 0.000 1.186 602 A CA 1.550 53.330 52.037 -0.428 0.000 0.620 602 A CB -0.667 18.082 19.000 -0.417 0.000 0.822 602 A HN 0.344 nan 8.150 nan 0.000 0.443 603 I N -0.388 119.955 120.570 -0.379 0.000 2.208 603 I HA -0.301 3.874 4.170 0.010 0.000 0.245 603 I C 2.545 178.491 176.117 -0.285 0.000 1.097 603 I CA 1.981 63.092 61.300 -0.315 0.000 1.363 603 I CB -0.228 37.605 38.000 -0.278 0.000 1.051 603 I HN 0.377 nan 8.210 nan 0.000 0.413 604 K N 0.409 120.640 120.400 -0.282 0.000 2.097 604 K HA -0.202 4.124 4.320 0.010 0.000 0.206 604 K C 2.352 178.859 176.600 -0.156 0.000 1.049 604 K CA 1.631 57.785 56.287 -0.223 0.000 0.933 604 K CB -0.086 32.253 32.500 -0.268 0.000 0.717 604 K HN 0.149 nan 8.250 nan 0.000 0.442 605 S N 0.075 115.661 115.700 -0.189 0.000 2.368 605 S HA -0.165 4.310 4.470 0.010 0.000 0.225 605 S C 2.043 176.536 174.600 -0.178 0.000 1.030 605 S CA 1.462 59.588 58.200 -0.123 0.000 0.999 605 S CB -0.442 62.734 63.200 -0.039 0.000 0.844 605 S HN 0.565 nan 8.310 nan 0.000 0.459 606 C N 1.485 120.598 119.300 -0.311 0.000 2.425 606 C HA -0.005 4.461 4.460 0.010 0.000 0.277 606 C C 2.505 177.406 174.990 -0.149 0.000 1.280 606 C CA 0.762 59.615 59.018 -0.274 0.000 1.744 606 C CB -1.480 26.059 27.740 -0.335 0.000 1.989 606 C HN 0.683 nan 8.230 nan 0.000 0.491 607 E N -0.557 119.580 120.200 -0.106 0.000 2.077 607 E HA -0.256 4.100 4.350 0.010 0.000 0.193 607 E C 1.853 178.460 176.600 0.012 0.000 0.989 607 E CA 1.490 57.862 56.400 -0.047 0.000 0.800 607 E CB -0.333 29.336 29.700 -0.052 0.000 0.746 607 E HN 0.821 nan 8.360 nan 0.000 0.452 608 Y N 1.274 121.536 120.300 -0.063 0.000 2.181 608 Y HA -0.229 4.326 4.550 0.010 0.000 0.288 608 Y C 1.964 177.897 175.900 0.055 0.000 1.146 608 Y CA 1.502 59.608 58.100 0.011 0.000 1.164 608 Y CB -0.080 38.418 38.460 0.063 0.000 0.982 608 Y HN -0.049 nan 8.280 nan 0.000 0.515 609 I N 0.244 120.854 120.570 0.067 0.000 2.179 609 I HA -0.336 3.840 4.170 0.010 0.000 0.242 609 I C 2.309 178.461 176.117 0.057 0.000 1.088 609 I CA 1.701 63.014 61.300 0.021 0.000 1.357 609 I CB -0.414 37.379 38.000 -0.345 0.000 1.051 609 I HN 0.139 nan 8.210 nan 0.000 0.409 610 K N 0.370 120.764 120.400 -0.011 0.000 2.209 610 K HA -0.200 4.126 4.320 0.010 0.000 0.204 610 K C 2.004 178.654 176.600 0.084 0.000 1.048 610 K CA 1.231 57.582 56.287 0.106 0.000 0.940 610 K CB -0.114 32.426 32.500 0.066 0.000 0.729 610 K HN 0.461 nan 8.250 nan 0.000 0.451 611 Q N -0.302 119.481 119.800 -0.028 0.000 2.432 611 Q HA 0.051 4.397 4.340 0.010 0.000 0.205 611 Q C 0.883 176.786 176.000 -0.161 0.000 0.945 611 Q CA 0.537 56.285 55.803 -0.090 0.000 0.924 611 Q CB 0.422 29.086 28.738 -0.123 0.000 1.016 611 Q HN 0.267 nan 8.270 nan 0.000 0.503 612 N N -1.030 117.556 118.700 -0.189 0.000 2.118 612 N HA 0.164 4.910 4.740 0.010 0.000 0.226 612 N C -0.979 174.227 175.510 -0.507 0.000 1.305 612 N CA 0.198 53.011 53.050 -0.394 0.000 0.890 612 N CB 1.057 39.120 38.487 -0.708 0.000 1.118 612 N HN 0.001 nan 8.380 nan 0.000 0.511 613 F N 0.514 120.484 119.950 0.033 0.000 2.576 613 F HA 0.363 4.896 4.527 0.010 0.000 0.313 613 F C 0.221 176.135 175.800 0.191 0.000 1.078 613 F CA -0.699 57.377 58.000 0.126 0.000 0.921 613 F CB 1.856 40.953 39.000 0.162 0.000 1.232 613 F HN -0.372 nan 8.300 nan 0.000 0.459 614 T N 3.777 118.492 114.554 0.268 0.000 2.767 614 T HA 0.382 4.738 4.350 0.010 0.000 0.288 614 T C -2.497 172.195 174.700 -0.012 0.000 0.963 614 T CA -1.390 60.765 62.100 0.091 0.000 1.019 614 T CB 0.992 69.880 68.868 0.034 0.000 0.923 614 T HN 0.135 nan 8.240 nan 0.000 0.468 615 P HA 0.122 nan 4.420 nan 0.000 0.268 615 P C -0.051 177.155 177.300 -0.156 0.000 1.208 615 P CA -0.428 62.375 63.100 -0.495 0.000 0.777 615 P CB 0.308 31.571 31.700 -0.728 0.000 0.875 616 S N 1.901 117.552 115.700 -0.082 0.000 2.592 616 S HA 0.410 4.886 4.470 0.010 0.000 0.271 616 S C -2.148 172.444 174.600 -0.012 0.000 1.326 616 S CA -1.148 57.037 58.200 -0.025 0.000 1.024 616 S CB -0.439 62.755 63.200 -0.010 0.000 0.921 616 S HN 0.327 nan 8.310 nan 0.000 0.527 617 P HA 0.229 nan 4.420 nan 0.000 0.271 617 P C -0.901 176.491 177.300 0.152 0.000 1.220 617 P CA -0.227 62.908 63.100 0.058 0.000 0.768 617 P CB 0.186 31.909 31.700 0.039 0.000 0.848 618 F N 0.000 119.930 119.950 -0.033 0.000 2.286 618 F HA 0.000 4.533 4.527 0.010 0.000 0.279 618 F CA 0.000 57.986 58.000 -0.023 0.000 1.383 618 F CB 0.000 38.988 39.000 -0.019 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574