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 3bg7_1_C DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT 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 LPGSGPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 0.000 176.258 176.300 -0.071 0.000 1.140 43 M CA 0.000 55.295 55.300 -0.008 0.000 0.988 43 M CB 0.000 32.493 32.600 -0.179 0.000 1.302 44 D N 4.851 125.233 120.400 -0.030 0.000 2.382 44 D HA 0.255 4.895 4.640 0.001 0.000 0.240 44 D C 0.968 177.161 176.300 -0.179 0.000 1.146 44 D CA 0.132 54.034 54.000 -0.163 0.000 0.897 44 D CB 1.160 41.744 40.800 -0.360 0.000 1.197 44 D HN 0.763 nan 8.370 nan 0.000 0.432 45 I N -2.212 118.242 120.570 -0.193 0.000 4.081 45 I HA 0.251 4.422 4.170 0.001 0.000 0.333 45 I C 0.109 176.160 176.117 -0.111 0.000 1.413 45 I CA -0.366 60.872 61.300 -0.104 0.000 1.110 45 I CB 0.340 38.299 38.000 -0.068 0.000 1.082 45 I HN -0.085 nan 8.210 nan 0.000 0.402 46 K N 1.210 121.423 120.400 -0.312 0.000 2.323 46 K HA 0.557 4.877 4.320 0.001 0.000 0.259 46 K C -1.860 174.389 176.600 -0.586 0.000 0.947 46 K CA -0.458 55.662 56.287 -0.278 0.000 0.819 46 K CB 0.879 33.282 32.500 -0.162 0.000 1.109 46 K HN 0.193 nan 8.250 nan 0.000 0.429 47 Y N 1.071 121.352 120.300 -0.032 0.000 2.633 47 Y HA 0.267 4.817 4.550 0.001 0.000 0.339 47 Y C 0.748 176.612 175.900 -0.059 0.000 1.045 47 Y CA -0.738 57.335 58.100 -0.044 0.000 1.098 47 Y CB 1.890 40.326 38.460 -0.040 0.000 1.296 47 Y HN 0.599 nan 8.280 nan 0.000 0.494 48 D N 0.026 120.504 120.400 0.129 0.000 2.120 48 D HA 0.045 4.685 4.640 0.001 0.000 0.202 48 D C -0.350 175.924 176.300 -0.042 0.000 0.972 48 D CA 1.410 55.460 54.000 0.084 0.000 0.837 48 D CB 0.313 41.237 40.800 0.207 0.000 0.989 48 D HN 0.105 nan 8.370 nan 0.000 0.469 49 V N 1.069 120.951 119.914 -0.054 0.000 2.709 49 V HA 0.409 4.529 4.120 0.001 0.000 0.308 49 V C -0.383 175.613 176.094 -0.164 0.000 1.062 49 V CA -1.023 61.157 62.300 -0.200 0.000 0.901 49 V CB 2.517 34.190 31.823 -0.250 0.000 1.003 49 V HN -0.026 nan 8.190 nan 0.000 0.425 50 V N 2.651 122.436 119.914 -0.214 0.000 2.540 50 V HA 0.742 4.862 4.120 0.001 0.000 0.302 50 V C -0.696 175.347 176.094 -0.084 0.000 1.035 50 V CA -0.634 61.606 62.300 -0.100 0.000 0.873 50 V CB 1.681 33.513 31.823 0.015 0.000 0.992 50 V HN 0.686 nan 8.190 nan 0.000 0.428 51 I N 4.109 124.651 120.570 -0.047 0.000 2.406 51 I HA 0.492 4.662 4.170 0.001 0.000 0.290 51 I C -0.471 175.671 176.117 0.042 0.000 0.999 51 I CA -0.963 60.297 61.300 -0.067 0.000 1.124 51 I CB 2.287 40.231 38.000 -0.094 0.000 1.289 51 I HN 0.435 nan 8.210 nan 0.000 0.441 52 V N 5.600 125.523 119.914 0.016 0.000 2.348 52 V HA 0.774 4.895 4.120 0.001 0.000 0.270 52 V C 0.473 176.576 176.094 0.015 0.000 1.037 52 V CA -0.182 62.147 62.300 0.048 0.000 0.872 52 V CB 0.399 32.227 31.823 0.007 0.000 1.002 52 V HN 1.061 nan 8.190 nan 0.000 0.464 53 G N 3.898 112.721 108.800 0.037 0.000 2.885 53 G HA2 0.013 3.973 3.960 0.001 0.000 0.685 53 G HA3 0.013 3.973 3.960 0.001 0.000 0.685 53 G C -0.106 174.812 174.900 0.030 0.000 1.216 53 G CA -0.263 44.852 45.100 0.025 0.000 0.790 53 G HN 1.250 nan 8.290 nan 0.000 0.631 54 S N 0.889 116.608 115.700 0.032 0.000 2.651 54 S HA 0.621 5.092 4.470 0.001 0.000 0.246 54 S C 1.194 175.810 174.600 0.027 0.000 1.039 54 S CA 0.692 58.920 58.200 0.046 0.000 1.013 54 S CB 0.589 63.825 63.200 0.059 0.000 0.861 54 S HN 1.905 nan 8.310 nan 0.000 0.485 55 G N 2.477 111.283 108.800 0.010 0.000 2.588 55 G HA2 0.449 4.409 3.960 0.001 0.000 0.278 55 G HA3 0.449 4.409 3.960 0.001 0.000 0.278 55 G C -1.299 173.586 174.900 -0.024 0.000 1.307 55 G CA -1.517 43.570 45.100 -0.021 0.000 1.016 55 G HN 0.231 nan 8.290 nan 0.000 0.503 56 P HA -0.056 nan 4.420 nan 0.000 0.222 56 P C 1.625 178.879 177.300 -0.078 0.000 1.147 56 P CA 0.635 63.698 63.100 -0.062 0.000 0.790 56 P CB 0.219 31.911 31.700 -0.014 0.000 0.780 57 I N 0.057 120.612 120.570 -0.024 0.000 2.400 57 I HA 0.002 4.172 4.170 0.001 0.000 0.248 57 I C 2.652 178.830 176.117 0.101 0.000 1.109 57 I CA 1.299 62.610 61.300 0.019 0.000 1.425 57 I CB -2.206 35.834 38.000 0.066 0.000 1.094 57 I HN -0.011 nan 8.210 nan 0.000 0.425 58 G N -0.011 108.838 108.800 0.081 0.000 2.422 58 G HA2 -0.218 3.742 3.960 0.001 0.000 0.218 58 G HA3 -0.218 3.742 3.960 0.001 0.000 0.218 58 G C 1.722 176.638 174.900 0.027 0.000 1.146 58 G CA 0.899 46.046 45.100 0.079 0.000 0.769 58 G HN 0.411 nan 8.290 nan 0.000 0.547 59 C N 0.779 120.071 119.300 -0.014 0.000 2.432 59 C HA 0.047 4.508 4.460 0.001 0.000 0.282 59 C C 3.134 178.015 174.990 -0.181 0.000 1.388 59 C CA 1.316 60.289 59.018 -0.075 0.000 1.777 59 C CB -0.942 26.799 27.740 0.003 0.000 1.882 59 C HN 0.442 nan 8.230 nan 0.000 0.520 60 T N -0.057 114.406 114.554 -0.151 0.000 2.770 60 T HA -0.129 4.221 4.350 0.001 0.000 0.263 60 T C 1.472 176.015 174.700 -0.261 0.000 1.039 60 T CA 1.470 63.444 62.100 -0.210 0.000 1.142 60 T CB -0.393 68.362 68.868 -0.189 0.000 0.868 60 T HN 0.530 nan 8.240 nan 0.000 0.435 61 Y N 1.678 121.850 120.300 -0.213 0.000 2.128 61 Y HA -0.088 4.463 4.550 0.001 0.000 0.284 61 Y C 2.790 178.485 175.900 -0.342 0.000 1.154 61 Y CA 1.004 58.955 58.100 -0.247 0.000 1.149 61 Y CB -0.760 37.568 38.460 -0.220 0.000 0.976 61 Y HN 0.197 nan 8.280 nan 0.000 0.505 62 A N 0.162 122.810 122.820 -0.285 0.000 1.902 62 A HA -0.258 4.063 4.320 0.001 0.000 0.217 62 A C 2.245 179.283 177.584 -0.910 0.000 1.181 62 A CA 2.005 53.641 52.037 -0.668 0.000 0.623 62 A CB -0.779 17.618 19.000 -1.006 0.000 0.818 62 A HN 0.469 nan 8.150 nan 0.000 0.443 63 R N -0.282 119.749 120.500 -0.782 0.000 2.073 63 R HA -0.146 4.195 4.340 0.001 0.000 0.234 63 R C 2.011 178.106 176.300 -0.340 0.000 1.134 63 R CA 1.774 57.537 56.100 -0.561 0.000 0.952 63 R CB -0.282 29.721 30.300 -0.495 0.000 0.850 63 R HN 0.528 nan 8.270 nan 0.000 0.433 64 E N 0.488 120.525 120.200 -0.272 0.000 2.051 64 E HA -0.183 4.167 4.350 0.001 0.000 0.192 64 E C 2.103 178.641 176.600 -0.104 0.000 0.991 64 E CA 1.431 57.743 56.400 -0.146 0.000 0.799 64 E CB -0.059 29.552 29.700 -0.150 0.000 0.748 64 E HN 0.454 nan 8.360 nan 0.000 0.449 65 L N 0.221 121.354 121.223 -0.151 0.000 2.202 65 L HA -0.051 4.289 4.340 0.001 0.000 0.205 65 L C 2.554 179.455 176.870 0.051 0.000 1.083 65 L CA 0.243 55.050 54.840 -0.054 0.000 0.790 65 L CB -0.316 41.613 42.059 -0.216 0.000 0.942 65 L HN -0.061 nan 8.230 nan 0.000 0.452 66 V N 0.701 120.549 119.914 -0.110 0.000 2.287 66 V HA -0.231 3.889 4.120 0.001 0.000 0.248 66 V C 2.595 178.701 176.094 0.020 0.000 1.053 66 V CA 2.181 64.455 62.300 -0.044 0.000 1.027 66 V CB -1.276 30.446 31.823 -0.169 0.000 0.646 66 V HN 0.574 nan 8.190 nan 0.000 0.447 67 G N -0.736 108.053 108.800 -0.017 0.000 2.443 67 G HA2 -0.059 3.902 3.960 0.001 0.000 0.219 67 G HA3 -0.059 3.902 3.960 0.001 0.000 0.219 67 G C 1.467 176.388 174.900 0.035 0.000 1.131 67 G CA 0.726 45.835 45.100 0.015 0.000 0.775 67 G HN 0.633 nan 8.290 nan 0.000 0.547 68 A N -0.296 122.564 122.820 0.066 0.000 2.238 68 A HA 0.475 4.795 4.320 0.001 0.000 0.208 68 A C 1.920 179.502 177.584 -0.002 0.000 1.177 68 A CA 1.227 53.312 52.037 0.079 0.000 0.804 68 A CB -0.451 18.668 19.000 0.197 0.000 0.823 68 A HN 1.511 nan 8.150 nan 0.000 0.482 69 G N -2.386 106.425 108.800 0.018 0.000 2.141 69 G HA2 -0.263 3.698 3.960 0.001 0.000 0.231 69 G HA3 -0.263 3.698 3.960 0.001 0.000 0.231 69 G C -0.082 174.750 174.900 -0.114 0.000 0.984 69 G CA 0.133 45.206 45.100 -0.044 0.000 0.660 69 G HN 0.406 nan 8.290 nan 0.000 0.525 70 Y N 0.346 120.638 120.300 -0.013 0.000 2.304 70 Y HA 0.485 5.035 4.550 0.001 0.000 0.327 70 Y C 1.039 176.924 175.900 -0.024 0.000 1.209 70 Y CA -0.200 57.887 58.100 -0.022 0.000 1.299 70 Y CB 0.836 39.273 38.460 -0.039 0.000 1.249 70 Y HN 0.070 nan 8.280 nan 0.000 0.519 71 K N 2.713 123.187 120.400 0.122 0.000 2.310 71 K HA 0.435 4.755 4.320 0.001 0.000 0.290 71 K C -1.552 175.141 176.600 0.154 0.000 1.077 71 K CA -0.141 56.198 56.287 0.086 0.000 0.922 71 K CB 0.095 32.614 32.500 0.032 0.000 1.057 71 K HN 0.501 nan 8.250 nan 0.000 0.479 72 V N 3.006 122.990 119.914 0.116 0.000 2.628 72 V HA 0.622 4.742 4.120 0.001 0.000 0.306 72 V C -0.390 175.558 176.094 -0.244 0.000 1.045 72 V CA -0.967 61.343 62.300 0.016 0.000 0.905 72 V CB 1.555 33.443 31.823 0.108 0.000 0.997 72 V HN 0.894 nan 8.190 nan 0.000 0.436 73 A N 5.408 127.918 122.820 -0.516 0.000 2.342 73 A HA 0.924 5.244 4.320 0.001 0.000 0.323 73 A C -0.672 176.546 177.584 -0.609 0.000 1.125 73 A CA -0.603 50.916 52.037 -0.863 0.000 0.785 73 A CB 1.553 19.709 19.000 -1.407 0.000 1.221 73 A HN 0.931 nan 8.150 nan 0.000 0.463 74 M N 2.464 121.635 119.600 -0.716 0.000 2.393 74 M HA 0.761 5.242 4.480 0.001 0.000 0.316 74 M C -2.180 173.792 176.300 -0.547 0.000 1.087 74 M CA -0.431 54.637 55.300 -0.386 0.000 0.937 74 M CB 1.119 33.673 32.600 -0.076 0.000 1.668 74 M HN 0.578 nan 8.290 nan 0.000 0.438 75 F N 2.429 122.366 119.950 -0.023 0.000 2.495 75 F HA 0.549 5.076 4.527 0.001 0.000 0.327 75 F C -0.171 175.622 175.800 -0.012 0.000 1.103 75 F CA -0.500 57.505 58.000 0.008 0.000 0.949 75 F CB 1.523 40.503 39.000 -0.034 0.000 1.142 75 F HN 0.486 nan 8.300 nan 0.000 0.457 76 D N 2.792 123.276 120.400 0.140 0.000 2.738 76 D HA 0.267 4.907 4.640 0.001 0.000 0.237 76 D C 0.463 176.785 176.300 0.037 0.000 1.123 76 D CA -0.338 53.699 54.000 0.062 0.000 0.856 76 D CB 2.599 43.419 40.800 0.033 0.000 1.552 76 D HN 0.631 nan 8.370 nan 0.000 0.480 77 I N 1.716 122.264 120.570 -0.037 0.000 2.546 77 I HA 0.070 4.241 4.170 0.001 0.000 0.255 77 I C 1.199 177.282 176.117 -0.057 0.000 1.163 77 I CA 0.652 61.892 61.300 -0.101 0.000 1.457 77 I CB 0.185 38.011 38.000 -0.289 0.000 1.092 77 I HN 0.335 nan 8.210 nan 0.000 0.434 78 G N 0.001 108.783 108.800 -0.030 0.000 2.543 78 G HA2 0.378 4.339 3.960 0.001 0.000 0.290 78 G HA3 0.378 4.339 3.960 0.001 0.000 0.290 78 G C -0.815 174.102 174.900 0.028 0.000 1.310 78 G CA -0.399 44.707 45.100 0.010 0.000 1.025 78 G HN 0.288 nan 8.290 nan 0.000 0.502 79 E N -1.408 118.814 120.200 0.036 0.000 2.320 79 E HA 0.373 4.723 4.350 0.001 0.000 0.264 79 E C -0.564 176.058 176.600 0.036 0.000 0.923 79 E CA -0.774 55.648 56.400 0.037 0.000 0.796 79 E CB 2.505 32.230 29.700 0.041 0.000 1.262 79 E HN 0.275 nan 8.360 nan 0.000 0.428 80 I N 2.538 123.127 120.570 0.031 0.000 2.517 80 I HA -0.003 4.167 4.170 0.001 0.000 0.285 80 I C -0.206 175.937 176.117 0.043 0.000 1.106 80 I CA 0.694 62.014 61.300 0.033 0.000 1.402 80 I CB 0.108 38.122 38.000 0.023 0.000 1.399 80 I HN 0.519 nan 8.210 nan 0.000 0.535 81 D N 2.548 122.980 120.400 0.053 0.000 3.279 81 D HA 0.041 4.681 4.640 0.001 0.000 0.336 81 D C -0.257 176.095 176.300 0.085 0.000 1.512 81 D CA -0.349 53.690 54.000 0.064 0.000 0.754 81 D CB -0.166 40.671 40.800 0.061 0.000 1.278 81 D HN 0.226 nan 8.370 nan 0.000 0.553 82 S N -0.008 115.745 115.700 0.088 0.000 2.809 82 S HA 0.643 5.113 4.470 0.001 0.000 0.248 82 S C 0.855 175.522 174.600 0.111 0.000 1.071 82 S CA -0.065 58.206 58.200 0.117 0.000 1.059 82 S CB 0.874 64.146 63.200 0.119 0.000 0.923 82 S HN 0.884 nan 8.310 nan 0.000 0.516 83 G N 1.594 110.449 108.800 0.091 0.000 2.642 83 G HA2 -0.234 3.726 3.960 0.001 0.000 0.231 83 G HA3 -0.234 3.726 3.960 0.001 0.000 0.231 83 G C 0.330 175.264 174.900 0.057 0.000 1.338 83 G CA -0.184 44.962 45.100 0.078 0.000 0.883 83 G HN 0.332 nan 8.290 nan 0.000 0.570 84 L N 0.177 121.429 121.223 0.048 0.000 2.313 84 L HA 0.114 4.454 4.340 0.001 0.000 0.214 84 L C 1.465 178.348 176.870 0.020 0.000 1.119 84 L CA 0.916 55.772 54.840 0.028 0.000 0.809 84 L CB -0.308 41.763 42.059 0.020 0.000 0.933 84 L HN 0.338 nan 8.230 nan 0.000 0.449 85 K N 1.699 122.121 120.400 0.036 0.000 2.292 85 K HA 0.298 4.619 4.320 0.001 0.000 0.290 85 K C -0.332 176.289 176.600 0.035 0.000 1.083 85 K CA -0.127 56.177 56.287 0.029 0.000 0.918 85 K CB 0.690 33.222 32.500 0.052 0.000 1.089 85 K HN 0.080 nan 8.250 nan 0.000 0.473 86 I N 2.203 122.776 120.570 0.006 0.000 2.517 86 I HA -0.005 4.165 4.170 0.001 0.000 0.285 86 I C 1.295 177.428 176.117 0.026 0.000 1.106 86 I CA 0.577 61.885 61.300 0.013 0.000 1.402 86 I CB 0.492 38.488 38.000 -0.006 0.000 1.399 86 I HN 0.944 nan 8.210 nan 0.000 0.535 87 G N 4.343 113.171 108.800 0.047 0.000 2.147 87 G HA2 -0.179 3.782 3.960 0.001 0.000 0.244 87 G HA3 -0.179 3.782 3.960 0.001 0.000 0.244 87 G C 0.277 175.227 174.900 0.084 0.000 1.005 87 G CA 0.034 45.167 45.100 0.054 0.000 0.713 87 G HN 0.958 nan 8.290 nan 0.000 0.515 88 A N -0.382 122.505 122.820 0.110 0.000 2.272 88 A HA 0.639 4.959 4.320 0.001 0.000 0.275 88 A C 0.563 178.279 177.584 0.220 0.000 1.096 88 A CA -0.339 51.802 52.037 0.173 0.000 0.822 88 A CB 0.337 19.436 19.000 0.166 0.000 1.088 88 A HN 0.632 nan 8.150 nan 0.000 0.495 89 H N 0.399 119.603 119.070 0.223 0.000 2.803 89 H HA 0.130 4.686 4.556 0.001 0.000 0.330 89 H C 0.643 176.099 175.328 0.214 0.000 1.057 89 H CA 0.633 56.829 56.048 0.247 0.000 1.458 89 H CB 0.888 30.815 29.762 0.275 0.000 1.470 89 H HN 0.683 nan 8.280 nan 0.000 0.560 90 K N 3.184 123.778 120.400 0.322 0.000 2.365 90 K HA -0.085 4.235 4.320 0.001 0.000 0.199 90 K C 1.549 178.382 176.600 0.387 0.000 1.045 90 K CA 0.842 57.362 56.287 0.389 0.000 0.962 90 K CB 0.288 33.030 32.500 0.403 0.000 0.759 90 K HN 0.532 nan 8.250 nan 0.000 0.469 91 K N 0.044 120.564 120.400 0.200 0.000 2.458 91 K HA 0.071 4.392 4.320 0.001 0.000 0.194 91 K C 0.363 176.978 176.600 0.025 0.000 1.024 91 K CA 0.312 56.430 56.287 -0.282 0.000 1.108 91 K CB 0.235 31.968 32.500 -1.279 0.000 0.846 91 K HN -0.119 nan 8.250 nan 0.000 0.518 92 N N 2.320 121.133 118.700 0.189 0.000 2.375 92 N HA -0.012 4.728 4.740 0.001 0.000 0.220 92 N C -0.517 175.180 175.510 0.311 0.000 1.170 92 N CA 0.371 53.535 53.050 0.188 0.000 0.833 92 N CB 0.651 39.304 38.487 0.278 0.000 1.069 92 N HN 0.446 nan 8.380 nan 0.000 0.479 93 T N -3.821 110.915 114.554 0.304 0.000 2.928 93 T HA 0.304 4.654 4.350 0.001 0.000 0.284 93 T C 1.654 176.504 174.700 0.251 0.000 1.008 93 T CA -0.753 61.512 62.100 0.275 0.000 1.057 93 T CB 1.718 70.725 68.868 0.233 0.000 1.018 93 T HN -0.209 nan 8.240 nan 0.000 0.493 94 V N 1.328 121.373 119.914 0.218 0.000 2.392 94 V HA -0.126 3.995 4.120 0.001 0.000 0.249 94 V C 2.887 179.033 176.094 0.085 0.000 1.059 94 V CA 1.724 64.138 62.300 0.189 0.000 1.051 94 V CB -0.821 31.076 31.823 0.124 0.000 0.658 94 V HN 0.876 nan 8.190 nan 0.000 0.455 95 E N -0.397 119.795 120.200 -0.014 0.000 2.058 95 E HA -0.210 4.140 4.350 0.001 0.000 0.194 95 E C 2.130 178.640 176.600 -0.150 0.000 0.997 95 E CA 1.691 58.006 56.400 -0.141 0.000 0.801 95 E CB -0.287 29.225 29.700 -0.313 0.000 0.746 95 E HN 0.755 nan 8.360 nan 0.000 0.450 96 Y N 1.036 121.396 120.300 0.099 0.000 2.395 96 Y HA -0.045 4.505 4.550 0.001 0.000 0.293 96 Y C 2.451 178.362 175.900 0.019 0.000 1.123 96 Y CA 0.604 58.748 58.100 0.073 0.000 1.227 96 Y CB -0.165 38.335 38.460 0.067 0.000 1.012 96 Y HN 0.017 nan 8.280 nan 0.000 0.552 97 Q N 0.610 120.492 119.800 0.137 0.000 2.124 97 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 97 Q C 1.774 177.826 176.000 0.087 0.000 0.977 97 Q CA 1.293 57.135 55.803 0.065 0.000 0.850 97 Q CB -0.213 28.543 28.738 0.030 0.000 0.901 97 Q HN 0.514 nan 8.270 nan 0.000 0.429 98 K N 0.311 120.764 120.400 0.088 0.000 2.243 98 K HA 0.040 4.360 4.320 0.001 0.000 0.201 98 K C 0.427 177.073 176.600 0.076 0.000 1.051 98 K CA 0.421 56.750 56.287 0.069 0.000 0.970 98 K CB 0.347 32.876 32.500 0.047 0.000 0.755 98 K HN 0.106 nan 8.250 nan 0.000 0.465 99 N N 1.229 119.994 118.700 0.109 0.000 2.765 99 N HA 0.095 4.836 4.740 0.001 0.000 0.277 99 N C 0.233 175.882 175.510 0.232 0.000 1.750 99 N CA 0.021 53.154 53.050 0.139 0.000 0.827 99 N CB 1.072 39.630 38.487 0.119 0.000 1.200 99 N HN 0.062 nan 8.380 nan 0.000 0.494 100 I N 0.212 120.895 120.570 0.188 0.000 2.335 100 I HA -0.244 3.927 4.170 0.001 0.000 0.251 100 I C 1.005 177.251 176.117 0.216 0.000 1.129 100 I CA 1.526 62.938 61.300 0.186 0.000 1.402 100 I CB 0.391 38.448 38.000 0.095 0.000 1.069 100 I HN 0.109 nan 8.210 nan 0.000 0.424 101 D N 0.941 121.463 120.400 0.203 0.000 2.264 101 D HA -0.143 4.497 4.640 0.001 0.000 0.208 101 D C 1.977 178.379 176.300 0.171 0.000 0.966 101 D CA 0.662 54.781 54.000 0.199 0.000 0.864 101 D CB -0.058 40.888 40.800 0.244 0.000 0.933 101 D HN 0.229 nan 8.370 nan 0.000 0.499 102 K N 0.091 120.625 120.400 0.224 0.000 2.283 102 K HA -0.084 4.237 4.320 0.001 0.000 0.202 102 K C 1.760 178.485 176.600 0.207 0.000 1.048 102 K CA 0.056 56.486 56.287 0.239 0.000 0.948 102 K CB -0.554 32.140 32.500 0.324 0.000 0.742 102 K HN 0.216 nan 8.250 nan 0.000 0.458 103 F N 1.580 121.531 119.950 0.000 0.000 2.216 103 F HA -0.197 4.330 4.527 0.001 0.000 0.300 103 F C 1.803 177.488 175.800 -0.192 0.000 1.085 103 F CA 0.676 58.512 58.000 -0.275 0.000 1.326 103 F CB -0.186 38.620 39.000 -0.324 0.000 1.027 103 F HN -0.252 nan 8.300 nan 0.000 0.497 104 V N 0.148 119.975 119.914 -0.145 0.000 2.370 104 V HA -0.397 3.723 4.120 0.001 0.000 0.252 104 V C 1.850 177.762 176.094 -0.304 0.000 1.068 104 V CA 2.424 64.586 62.300 -0.231 0.000 1.061 104 V CB -1.353 30.360 31.823 -0.184 0.000 0.656 104 V HN 0.387 nan 8.190 nan 0.000 0.455 105 N N 0.065 118.617 118.700 -0.248 0.000 2.216 105 N HA -0.087 4.654 4.740 0.001 0.000 0.183 105 N C 1.665 177.011 175.510 -0.274 0.000 1.017 105 N CA 1.194 54.125 53.050 -0.198 0.000 0.861 105 N CB -0.229 38.203 38.487 -0.091 0.000 0.986 105 N HN 0.357 nan 8.380 nan 0.000 0.428 106 V N 1.205 120.846 119.914 -0.454 0.000 2.307 106 V HA -0.172 3.948 4.120 0.001 0.000 0.245 106 V C 2.041 177.808 176.094 -0.545 0.000 1.045 106 V CA 1.324 63.307 62.300 -0.529 0.000 1.024 106 V CB -0.470 30.829 31.823 -0.874 0.000 0.651 106 V HN 0.287 nan 8.190 nan 0.000 0.449 107 I N -0.192 119.939 120.570 -0.732 0.000 2.127 107 I HA -0.352 3.819 4.170 0.001 0.000 0.241 107 I C 2.729 178.588 176.117 -0.430 0.000 1.075 107 I CA 1.859 62.765 61.300 -0.656 0.000 1.334 107 I CB -0.458 37.177 38.000 -0.609 0.000 1.040 107 I HN 0.340 nan 8.210 nan 0.000 0.405 108 Q N 0.360 119.965 119.800 -0.326 0.000 2.181 108 Q HA -0.170 4.171 4.340 0.001 0.000 0.205 108 Q C 2.295 178.200 176.000 -0.158 0.000 0.980 108 Q CA 1.545 57.219 55.803 -0.214 0.000 0.862 108 Q CB -0.434 28.193 28.738 -0.184 0.000 0.905 108 Q HN 0.675 nan 8.270 nan 0.000 0.429 109 G N 1.236 109.941 108.800 -0.160 0.000 2.448 109 G HA2 -0.249 3.711 3.960 0.001 0.000 0.219 109 G HA3 -0.249 3.711 3.960 0.001 0.000 0.219 109 G C 0.987 175.850 174.900 -0.063 0.000 1.127 109 G CA 0.754 45.796 45.100 -0.097 0.000 0.766 109 G HN 0.484 nan 8.290 nan 0.000 0.552 110 Q N -0.613 119.141 119.800 -0.076 0.000 2.182 110 Q HA 0.499 4.839 4.340 0.001 0.000 0.270 110 Q C -0.454 175.555 176.000 0.015 0.000 0.861 110 Q CA -0.293 55.506 55.803 -0.006 0.000 1.098 110 Q CB 0.151 28.912 28.738 0.038 0.000 1.188 110 Q HN 0.252 nan 8.270 nan 0.000 0.464 111 L N 1.987 123.196 121.223 -0.024 0.000 2.319 111 L HA 0.567 4.907 4.340 0.001 0.000 0.281 111 L C -0.722 176.158 176.870 0.017 0.000 1.005 111 L CA -0.722 54.120 54.840 0.003 0.000 0.828 111 L CB 1.817 43.844 42.059 -0.053 0.000 1.227 111 L HN 0.285 nan 8.230 nan 0.000 0.415 112 M N 2.039 121.672 119.600 0.055 0.000 2.227 112 M HA 0.344 4.824 4.480 0.001 0.000 0.335 112 M C -0.035 176.303 176.300 0.062 0.000 1.053 112 M CA -0.487 54.848 55.300 0.058 0.000 0.973 112 M CB 1.606 34.261 32.600 0.093 0.000 1.623 112 M HN 0.368 nan 8.290 nan 0.000 0.434 113 S N 1.750 117.473 115.700 0.038 0.000 2.546 113 S HA 0.121 4.592 4.470 0.001 0.000 0.290 113 S C 1.596 176.229 174.600 0.055 0.000 1.290 113 S CA -0.482 57.740 58.200 0.036 0.000 1.069 113 S CB 0.815 64.024 63.200 0.014 0.000 0.846 113 S HN 0.529 nan 8.310 nan 0.000 0.495 114 V N 2.765 122.722 119.914 0.070 0.000 2.323 114 V HA -0.003 4.117 4.120 0.001 0.000 0.244 114 V C 1.209 177.302 176.094 -0.001 0.000 1.041 114 V CA 1.392 63.724 62.300 0.053 0.000 1.025 114 V CB 0.029 31.911 31.823 0.099 0.000 0.656 114 V HN 0.776 nan 8.190 nan 0.000 0.451 115 S N -0.407 115.309 115.700 0.027 0.000 2.775 115 S HA 0.517 4.987 4.470 0.001 0.000 0.277 115 S C -1.073 173.525 174.600 -0.003 0.000 1.156 115 S CA -0.450 57.735 58.200 -0.026 0.000 1.081 115 S CB 1.334 64.489 63.200 -0.075 0.000 1.054 115 S HN 0.022 nan 8.310 nan 0.000 0.482 116 V N 7.690 127.590 119.914 -0.024 0.000 2.370 116 V HA 0.553 4.674 4.120 0.001 0.000 0.283 116 V C -1.999 174.073 176.094 -0.037 0.000 1.023 116 V CA -1.862 60.423 62.300 -0.025 0.000 0.857 116 V CB 1.426 33.235 31.823 -0.024 0.000 0.985 116 V HN 0.675 nan 8.190 nan 0.000 0.443 117 P HA 0.165 nan 4.420 nan 0.000 0.274 117 P C -0.134 177.137 177.300 -0.049 0.000 1.246 117 P CA -0.175 62.900 63.100 -0.042 0.000 0.795 117 P CB 0.752 32.428 31.700 -0.041 0.000 1.006 118 V N 2.294 122.182 119.914 -0.044 0.000 2.617 118 V HA -0.059 4.061 4.120 0.001 0.000 0.304 118 V C 1.246 177.283 176.094 -0.094 0.000 1.040 118 V CA 0.350 62.620 62.300 -0.050 0.000 1.149 118 V CB -0.741 31.073 31.823 -0.015 0.000 0.914 118 V HN 0.627 nan 8.190 nan 0.000 0.487 119 N N 3.601 122.238 118.700 -0.105 0.000 2.488 119 N HA 0.144 4.885 4.740 0.001 0.000 0.274 119 N C 0.502 175.839 175.510 -0.288 0.000 1.111 119 N CA 0.310 53.273 53.050 -0.146 0.000 0.974 119 N CB 1.651 40.082 38.487 -0.093 0.000 1.089 119 N HN 0.849 nan 8.380 nan 0.000 0.465 120 T N 0.738 115.015 114.554 -0.463 0.000 3.288 120 T HA 0.283 4.634 4.350 0.001 0.000 0.293 120 T C 0.673 174.985 174.700 -0.646 0.000 1.008 120 T CA -0.434 61.016 62.100 -1.083 0.000 0.929 120 T CB -0.532 67.772 68.868 -0.939 0.000 1.152 120 T HN 0.272 nan 8.240 nan 0.000 0.517 121 L N 2.055 123.127 121.223 -0.253 0.000 2.410 121 L HA 0.416 4.757 4.340 0.001 0.000 0.273 121 L C -0.006 176.913 176.870 0.081 0.000 1.152 121 L CA -0.778 54.017 54.840 -0.075 0.000 0.855 121 L CB 1.046 43.078 42.059 -0.044 0.000 1.129 121 L HN 0.083 nan 8.230 nan 0.000 0.463 122 V N 4.815 124.790 119.914 0.103 0.000 2.406 122 V HA 0.189 4.309 4.120 0.001 0.000 0.272 122 V C 0.167 176.319 176.094 0.097 0.000 1.043 122 V CA -0.507 61.896 62.300 0.173 0.000 0.915 122 V CB 1.565 33.476 31.823 0.147 0.000 0.988 122 V HN 0.406 nan 8.190 nan 0.000 0.466 123 V N 5.381 125.351 119.914 0.094 0.000 2.293 123 V HA 0.342 4.462 4.120 0.001 0.000 0.275 123 V C 0.189 176.308 176.094 0.042 0.000 1.021 123 V CA -0.404 61.931 62.300 0.058 0.000 0.815 123 V CB 1.308 33.165 31.823 0.058 0.000 1.025 123 V HN 1.069 nan 8.190 nan 0.000 0.448 124 D N 2.093 122.511 120.400 0.030 0.000 2.538 124 D HA 0.013 4.653 4.640 0.001 0.000 0.231 124 D C 1.071 177.378 176.300 0.011 0.000 1.229 124 D CA 0.187 54.197 54.000 0.016 0.000 0.828 124 D CB 0.437 41.246 40.800 0.014 0.000 1.035 124 D HN 0.540 nan 8.370 nan 0.000 0.495 125 T N -1.861 112.702 114.554 0.015 0.000 3.228 125 T HA 0.335 4.685 4.350 0.001 0.000 0.278 125 T C 0.687 175.396 174.700 0.016 0.000 1.014 125 T CA -0.535 61.573 62.100 0.013 0.000 0.904 125 T CB -0.179 68.697 68.868 0.014 0.000 1.110 125 T HN 0.020 nan 8.240 nan 0.000 0.541 126 L N 2.030 123.263 121.223 0.018 0.000 2.467 126 L HA 0.337 4.677 4.340 0.001 0.000 0.270 126 L C 1.137 178.017 176.870 0.016 0.000 1.205 126 L CA -0.545 54.309 54.840 0.023 0.000 0.828 126 L CB 0.603 42.680 42.059 0.029 0.000 1.101 126 L HN 0.275 nan 8.230 nan 0.000 0.479 127 S N 1.920 117.633 115.700 0.021 0.000 2.568 127 S HA 0.113 4.584 4.470 0.001 0.000 0.282 127 S C -1.476 173.130 174.600 0.011 0.000 1.338 127 S CA -1.034 57.176 58.200 0.017 0.000 1.045 127 S CB 0.816 64.030 63.200 0.022 0.000 0.873 127 S HN 0.399 nan 8.310 nan 0.000 0.516 128 P HA -0.060 nan 4.420 nan 0.000 0.221 128 P C 1.311 178.612 177.300 0.001 0.000 1.145 128 P CA 1.265 64.362 63.100 -0.006 0.000 0.795 128 P CB -0.329 31.367 31.700 -0.007 0.000 0.775 129 T N -5.398 109.165 114.554 0.016 0.000 3.085 129 T HA 0.083 4.433 4.350 0.001 0.000 0.263 129 T C 1.020 175.753 174.700 0.054 0.000 1.127 129 T CA 0.120 62.237 62.100 0.029 0.000 1.103 129 T CB -0.560 68.326 68.868 0.031 0.000 0.921 129 T HN -0.097 nan 8.240 nan 0.000 0.510 130 S N 1.135 116.869 115.700 0.057 0.000 2.584 130 S HA 0.371 4.842 4.470 0.001 0.000 0.273 130 S C -0.692 173.988 174.600 0.134 0.000 1.311 130 S CA -1.026 57.235 58.200 0.102 0.000 1.034 130 S CB 0.348 63.602 63.200 0.089 0.000 0.939 130 S HN 0.614 nan 8.310 nan 0.000 0.513 131 W N 2.690 123.998 121.300 0.014 0.000 2.266 131 W HA 0.285 4.945 4.660 0.001 0.000 0.317 131 W C -0.276 176.258 176.519 0.025 0.000 1.310 131 W CA -0.058 57.295 57.345 0.013 0.000 1.207 131 W CB 0.264 29.732 29.460 0.012 0.000 1.199 131 W HN 0.516 nan 8.180 nan 0.000 0.544 132 Q N 4.837 124.297 119.800 -0.567 0.000 2.323 132 Q HA 0.594 4.934 4.340 0.001 0.000 0.271 132 Q C -0.261 175.096 176.000 -1.071 0.000 1.048 132 Q CA -0.988 54.518 55.803 -0.496 0.000 0.792 132 Q CB 1.985 30.557 28.738 -0.276 0.000 1.280 132 Q HN 0.590 nan 8.270 nan 0.000 0.441 133 A N 1.164 123.553 122.820 -0.719 0.000 2.327 133 A HA 0.338 4.658 4.320 0.001 0.000 0.255 133 A C 0.460 177.873 177.584 -0.286 0.000 1.099 133 A CA -0.270 51.492 52.037 -0.459 0.000 0.801 133 A CB 0.508 19.609 19.000 0.169 0.000 1.062 133 A HN 0.752 nan 8.150 nan 0.000 0.496 134 S N -0.864 114.706 115.700 -0.216 0.000 2.540 134 S HA 0.182 4.652 4.470 0.001 0.000 0.218 134 S C 0.535 175.024 174.600 -0.185 0.000 0.977 134 S CA 0.565 58.647 58.200 -0.196 0.000 0.918 134 S CB -0.169 62.939 63.200 -0.153 0.000 0.806 134 S HN 1.096 nan 8.310 nan 0.000 0.496 135 T N -1.377 113.101 114.554 -0.126 0.000 2.865 135 T HA 0.650 5.000 4.350 0.001 0.000 0.294 135 T C -0.908 173.713 174.700 -0.131 0.000 1.119 135 T CA -0.719 61.305 62.100 -0.127 0.000 1.007 135 T CB 0.696 69.596 68.868 0.053 0.000 1.225 135 T HN -0.093 nan 8.240 nan 0.000 0.515 136 F N 2.921 122.937 119.950 0.110 0.000 2.567 136 F HA 0.405 4.933 4.527 0.001 0.000 0.352 136 F C 0.330 176.169 175.800 0.065 0.000 1.229 136 F CA -1.883 56.142 58.000 0.042 0.000 1.228 136 F CB -0.869 38.134 39.000 0.004 0.000 1.568 136 F HN 0.555 nan 8.300 nan 0.000 0.634 137 F N -0.426 119.624 119.950 0.166 0.000 2.375 137 F HA 0.640 5.168 4.527 0.001 0.000 0.313 137 F C -0.123 175.747 175.800 0.117 0.000 1.176 137 F CA -1.618 56.457 58.000 0.124 0.000 1.142 137 F CB -0.083 38.982 39.000 0.109 0.000 1.275 137 F HN -0.160 nan 8.300 nan 0.000 0.544 138 V N 2.689 122.738 119.914 0.226 0.000 2.446 138 V HA 0.305 4.426 4.120 0.001 0.000 0.276 138 V C 0.117 176.253 176.094 0.070 0.000 1.030 138 V CA -0.013 62.346 62.300 0.097 0.000 1.033 138 V CB -0.469 31.427 31.823 0.122 0.000 0.993 138 V HN 0.748 nan 8.190 nan 0.000 0.477 139 R N 3.735 124.187 120.500 -0.080 0.000 2.698 139 R HA 0.427 4.767 4.340 0.001 0.000 0.275 139 R C -0.032 176.233 176.300 -0.059 0.000 1.001 139 R CA -0.904 55.122 56.100 -0.125 0.000 0.896 139 R CB 1.457 31.543 30.300 -0.358 0.000 1.218 139 R HN 0.696 nan 8.270 nan 0.000 0.462 140 N N 0.711 119.398 118.700 -0.021 0.000 2.725 140 N HA -0.190 4.550 4.740 0.001 0.000 0.249 140 N C 0.435 175.936 175.510 -0.016 0.000 1.103 140 N CA 1.615 54.654 53.050 -0.019 0.000 0.707 140 N CB -1.145 37.323 38.487 -0.033 0.000 1.043 140 N HN 1.070 nan 8.380 nan 0.000 0.553 141 G N -1.804 106.993 108.800 -0.006 0.000 2.148 141 G HA2 -0.314 3.647 3.960 0.001 0.000 0.254 141 G HA3 -0.314 3.647 3.960 0.001 0.000 0.254 141 G C 0.254 175.149 174.900 -0.009 0.000 0.981 141 G CA 0.835 45.933 45.100 -0.003 0.000 0.670 141 G HN 1.298 nan 8.290 nan 0.000 0.528 142 S N -0.602 115.088 115.700 -0.017 0.000 2.593 142 S HA 0.513 4.984 4.470 0.001 0.000 0.269 142 S C 0.118 174.707 174.600 -0.019 0.000 1.334 142 S CA -0.085 58.100 58.200 -0.025 0.000 1.015 142 S CB 1.861 65.039 63.200 -0.037 0.000 0.912 142 S HN 0.586 nan 8.310 nan 0.000 0.541 143 N N 2.108 120.788 118.700 -0.034 0.000 2.527 143 N HA 0.357 5.097 4.740 0.001 0.000 0.236 143 N C -1.740 173.749 175.510 -0.035 0.000 0.999 143 N CA -2.541 50.481 53.050 -0.048 0.000 0.935 143 N CB 1.172 39.601 38.487 -0.097 0.000 1.132 143 N HN 0.357 nan 8.380 nan 0.000 0.511 144 P HA -0.056 nan 4.420 nan 0.000 0.230 144 P C 0.302 177.614 177.300 0.020 0.000 1.158 144 P CA 0.877 63.988 63.100 0.018 0.000 0.769 144 P CB 0.547 32.275 31.700 0.047 0.000 0.807 145 E N -0.196 119.997 120.200 -0.012 0.000 2.347 145 E HA -0.099 4.251 4.350 0.001 0.000 0.196 145 E C 0.897 177.479 176.600 -0.031 0.000 1.008 145 E CA 0.517 56.918 56.400 0.002 0.000 0.852 145 E CB -0.112 29.530 29.700 -0.098 0.000 0.783 145 E HN 0.300 nan 8.360 nan 0.000 0.505 146 Q N 2.311 122.067 119.800 -0.073 0.000 2.307 146 Q HA 0.022 4.362 4.340 0.001 0.000 0.259 146 Q C -0.832 175.164 176.000 -0.007 0.000 0.998 146 Q CA -0.175 55.586 55.803 -0.069 0.000 0.923 146 Q CB 0.761 29.448 28.738 -0.086 0.000 1.196 146 Q HN -0.184 nan 8.270 nan 0.000 0.416 147 D N 6.138 126.554 120.400 0.026 0.000 2.358 147 D HA 0.066 4.706 4.640 0.001 0.000 0.258 147 D C -1.703 174.607 176.300 0.017 0.000 1.223 147 D CA -1.936 52.084 54.000 0.033 0.000 0.886 147 D CB 1.274 42.109 40.800 0.058 0.000 1.120 147 D HN 0.436 nan 8.370 nan 0.000 0.482 148 P HA -0.082 nan 4.420 nan 0.000 0.226 148 P C 1.260 178.558 177.300 -0.003 0.000 1.153 148 P CA 0.635 63.728 63.100 -0.011 0.000 0.777 148 P CB 0.337 32.019 31.700 -0.029 0.000 0.794 149 L N -1.131 120.095 121.223 0.005 0.000 2.592 149 L HA 0.167 4.507 4.340 0.001 0.000 0.227 149 L C 1.673 178.555 176.870 0.020 0.000 1.127 149 L CA 0.261 55.105 54.840 0.008 0.000 0.884 149 L CB -0.221 41.840 42.059 0.002 0.000 1.065 149 L HN -0.170 nan 8.230 nan 0.000 0.457 150 R N -0.086 120.435 120.500 0.036 0.000 2.727 150 R HA 0.217 4.558 4.340 0.001 0.000 0.410 150 R C -0.390 175.965 176.300 0.091 0.000 1.101 150 R CA -0.255 55.882 56.100 0.061 0.000 1.045 150 R CB 0.246 30.586 30.300 0.068 0.000 1.380 150 R HN 0.067 nan 8.270 nan 0.000 0.587 151 N N 0.595 119.322 118.700 0.046 0.000 2.459 151 N HA 0.357 5.098 4.740 0.001 0.000 0.288 151 N C -0.773 174.645 175.510 -0.153 0.000 1.186 151 N CA -0.618 52.437 53.050 0.008 0.000 0.917 151 N CB 1.237 39.727 38.487 0.005 0.000 1.219 151 N HN 0.072 nan 8.380 nan 0.000 0.525 152 L N 2.063 123.043 121.223 -0.406 0.000 2.494 152 L HA 0.224 4.565 4.340 0.001 0.000 0.251 152 L C 1.329 178.006 176.870 -0.322 0.000 1.119 152 L CA -0.271 54.201 54.840 -0.613 0.000 1.026 152 L CB 0.467 41.763 42.059 -1.272 0.000 1.370 152 L HN 0.649 nan 8.230 nan 0.000 0.426 153 S N -0.486 115.118 115.700 -0.159 0.000 2.423 153 S HA -0.097 4.374 4.470 0.001 0.000 0.231 153 S C 1.749 176.308 174.600 -0.069 0.000 1.014 153 S CA 0.863 59.018 58.200 -0.076 0.000 0.965 153 S CB -0.152 63.019 63.200 -0.048 0.000 0.785 153 S HN 0.619 nan 8.310 nan 0.000 0.495 154 G N 0.517 109.261 108.800 -0.092 0.000 2.920 154 G HA2 0.105 4.065 3.960 0.001 0.000 0.208 154 G HA3 0.105 4.065 3.960 0.001 0.000 0.208 154 G C 0.489 175.349 174.900 -0.066 0.000 1.159 154 G CA -0.327 44.731 45.100 -0.069 0.000 0.784 154 G HN 0.330 nan 8.290 nan 0.000 0.535 155 Q N 0.593 120.335 119.800 -0.095 0.000 2.337 155 Q HA 0.516 4.857 4.340 0.001 0.000 0.270 155 Q C -0.145 175.874 176.000 0.032 0.000 1.002 155 Q CA 0.247 56.022 55.803 -0.048 0.000 0.888 155 Q CB 1.425 30.117 28.738 -0.077 0.000 1.222 155 Q HN 0.279 nan 8.270 nan 0.000 0.400 156 A N 2.092 124.942 122.820 0.049 0.000 2.587 156 A HA 0.719 5.039 4.320 0.001 0.000 0.293 156 A C -0.973 176.667 177.584 0.093 0.000 1.087 156 A CA -0.585 51.490 52.037 0.064 0.000 0.692 156 A CB 1.352 20.375 19.000 0.038 0.000 1.291 156 A HN 0.471 nan 8.150 nan 0.000 0.407 157 V N -1.672 118.312 119.914 0.115 0.000 2.960 157 V HA 0.941 5.062 4.120 0.001 0.000 0.315 157 V C -0.348 175.835 176.094 0.148 0.000 1.087 157 V CA -0.495 61.896 62.300 0.152 0.000 0.982 157 V CB 1.622 33.585 31.823 0.233 0.000 1.039 157 V HN 0.855 nan 8.190 nan 0.000 0.437 158 T N 3.009 117.650 114.554 0.146 0.000 2.807 158 T HA 0.586 4.937 4.350 0.001 0.000 0.279 158 T C -0.287 174.464 174.700 0.085 0.000 0.993 158 T CA -0.476 61.699 62.100 0.124 0.000 0.970 158 T CB 1.115 70.069 68.868 0.144 0.000 0.950 158 T HN 0.773 nan 8.240 nan 0.000 0.441 159 R N 2.560 123.099 120.500 0.065 0.000 2.477 159 R HA 0.562 4.902 4.340 0.001 0.000 0.285 159 R C -0.732 175.587 176.300 0.033 0.000 1.415 159 R CA -0.552 55.560 56.100 0.021 0.000 1.446 159 R CB 0.734 31.025 30.300 -0.015 0.000 1.110 159 R HN 0.500 nan 8.270 nan 0.000 0.590 160 V N -1.858 118.075 119.914 0.031 0.000 3.049 160 V HA 0.494 4.615 4.120 0.001 0.000 0.309 160 V C 0.193 176.302 176.094 0.025 0.000 1.148 160 V CA -1.194 61.127 62.300 0.035 0.000 0.990 160 V CB 2.016 33.867 31.823 0.046 0.000 1.039 160 V HN 0.090 nan 8.190 nan 0.000 0.430 161 V N 3.232 123.163 119.914 0.029 0.000 2.540 161 V HA 0.485 4.606 4.120 0.001 0.000 0.297 161 V C 1.683 177.793 176.094 0.026 0.000 1.024 161 V CA 1.867 64.184 62.300 0.028 0.000 1.105 161 V CB -0.017 31.824 31.823 0.031 0.000 0.938 161 V HN 1.954 nan 8.190 nan 0.000 0.482 162 G N 3.244 112.056 108.800 0.019 0.000 2.213 162 G HA2 -0.016 3.945 3.960 0.001 0.000 0.236 162 G HA3 -0.016 3.945 3.960 0.001 0.000 0.236 162 G C 1.016 175.891 174.900 -0.041 0.000 0.991 162 G CA 0.300 45.401 45.100 0.002 0.000 0.629 162 G HN 2.119 nan 8.290 nan 0.000 0.517 163 G N 0.162 108.945 108.800 -0.028 0.000 2.594 163 G HA2 -0.270 3.691 3.960 0.001 0.000 0.297 163 G HA3 -0.270 3.691 3.960 0.001 0.000 0.297 163 G C 1.155 175.982 174.900 -0.120 0.000 1.273 163 G CA 1.351 46.423 45.100 -0.046 0.000 0.974 163 G HN 1.142 nan 8.290 nan 0.000 0.552 164 M N 1.611 121.102 119.600 -0.182 0.000 2.562 164 M HA 0.043 4.523 4.480 0.001 0.000 0.257 164 M C 2.694 178.662 176.300 -0.553 0.000 1.099 164 M CA 1.550 56.593 55.300 -0.428 0.000 1.099 164 M CB -0.106 32.328 32.600 -0.277 0.000 1.427 164 M HN 0.712 nan 8.290 nan 0.000 0.489 165 S N -0.181 115.247 115.700 -0.454 0.000 2.547 165 S HA -0.096 4.375 4.470 0.001 0.000 0.235 165 S C 1.738 176.213 174.600 -0.209 0.000 0.980 165 S CA 1.363 59.196 58.200 -0.612 0.000 0.941 165 S CB -1.003 61.891 63.200 -0.511 0.000 0.763 165 S HN 0.592 nan 8.310 nan 0.000 0.532 166 T N -0.799 113.631 114.554 -0.207 0.000 3.148 166 T HA 0.049 4.400 4.350 0.001 0.000 0.253 166 T C 1.264 175.799 174.700 -0.274 0.000 1.134 166 T CA 0.817 62.823 62.100 -0.156 0.000 1.051 166 T CB -0.701 68.152 68.868 -0.025 0.000 0.959 166 T HN 0.925 nan 8.240 nan 0.000 0.525 167 H N -2.159 116.819 119.070 -0.153 0.000 3.787 167 H HA 0.186 4.743 4.556 0.001 0.000 0.262 167 H C 0.512 176.023 175.328 0.305 0.000 1.181 167 H CA -1.055 55.030 56.048 0.061 0.000 1.159 167 H CB -0.584 29.236 29.762 0.097 0.000 1.563 167 H HN 0.460 nan 8.280 nan 0.000 0.699 168 W N 3.071 124.359 121.300 -0.021 0.000 2.124 168 W HA 0.191 4.852 4.660 0.001 0.000 0.356 168 W C -0.002 176.654 176.519 0.228 0.000 1.302 168 W CA 0.262 57.707 57.345 0.166 0.000 1.293 168 W CB -0.255 29.228 29.460 0.037 0.000 1.199 168 W HN -0.142 nan 8.180 nan 0.000 0.606 169 T N 1.222 115.781 114.554 0.007 0.000 3.085 169 T HA -0.025 4.325 4.350 0.001 0.000 0.263 169 T C 1.082 175.401 174.700 -0.636 0.000 1.127 169 T CA 1.194 63.120 62.100 -0.289 0.000 1.103 169 T CB -0.568 68.295 68.868 -0.009 0.000 0.921 169 T HN 0.672 nan 8.240 nan 0.000 0.510 170 C N 0.892 119.437 119.300 -1.259 0.000 4.552 170 C HA -0.098 4.362 4.460 0.001 0.000 0.268 170 C C 1.096 175.621 174.990 -0.776 0.000 1.288 170 C CA -0.727 57.270 59.018 -1.701 0.000 1.776 170 C CB -2.711 24.520 27.740 -0.849 0.000 1.415 170 C HN 0.777 nan 8.230 nan 0.000 0.729 171 A N 1.002 123.578 122.820 -0.406 0.000 2.354 171 A HA 0.606 4.926 4.320 0.001 0.000 0.281 171 A C 0.742 178.268 177.584 -0.097 0.000 1.174 171 A CA 1.002 52.951 52.037 -0.146 0.000 0.828 171 A CB 0.244 19.235 19.000 -0.015 0.000 1.099 171 A HN 1.396 nan 8.150 nan 0.000 0.516 172 T N 1.403 115.914 114.554 -0.073 0.000 3.504 172 T HA 0.488 4.838 4.350 0.001 0.000 0.286 172 T C -2.679 171.984 174.700 -0.061 0.000 1.530 172 T CA -1.387 60.696 62.100 -0.028 0.000 1.652 172 T CB 0.545 69.429 68.868 0.027 0.000 0.895 172 T HN 0.462 nan 8.240 nan 0.000 0.674 173 P HA 0.331 nan 4.420 nan 0.000 0.274 173 P C -0.205 176.955 177.300 -0.232 0.000 1.231 173 P CA -0.563 62.447 63.100 -0.151 0.000 0.790 173 P CB 1.122 32.709 31.700 -0.187 0.000 0.951 174 R N 1.202 121.482 120.500 -0.365 0.000 2.582 174 R HA 0.350 4.690 4.340 0.001 0.000 0.271 174 R C 0.211 176.389 176.300 -0.203 0.000 1.078 174 R CA -0.389 55.314 56.100 -0.661 0.000 1.127 174 R CB 0.116 29.883 30.300 -0.889 0.000 1.038 174 R HN 0.380 nan 8.270 nan 0.000 0.500 175 F N 1.928 121.653 119.950 -0.374 0.000 2.399 175 F HA 0.043 4.570 4.527 0.001 0.000 0.342 175 F C 1.022 176.638 175.800 -0.308 0.000 1.106 175 F CA -1.416 56.386 58.000 -0.331 0.000 1.196 175 F CB 0.284 39.078 39.000 -0.343 0.000 1.163 175 F HN 0.549 nan 8.300 nan 0.000 0.547 176 D N 2.246 122.571 120.400 -0.124 0.000 2.411 176 D HA 0.166 4.807 4.640 0.001 0.000 0.251 176 D C 1.082 177.299 176.300 -0.139 0.000 1.201 176 D CA -0.474 53.457 54.000 -0.115 0.000 0.996 176 D CB 0.569 41.322 40.800 -0.078 0.000 1.101 176 D HN 0.432 nan 8.370 nan 0.000 0.504 177 R N -0.009 120.435 120.500 -0.092 0.000 2.133 177 R HA -0.230 4.111 4.340 0.001 0.000 0.245 177 R C 2.009 178.258 176.300 -0.086 0.000 1.137 177 R CA 1.928 57.983 56.100 -0.076 0.000 0.947 177 R CB -0.442 29.846 30.300 -0.020 0.000 0.865 177 R HN 0.655 nan 8.270 nan 0.000 0.437 178 E N 0.542 120.694 120.200 -0.079 0.000 2.147 178 E HA -0.264 4.086 4.350 0.001 0.000 0.199 178 E C 1.899 178.392 176.600 -0.179 0.000 1.005 178 E CA 1.540 57.895 56.400 -0.075 0.000 0.810 178 E CB 0.049 29.752 29.700 0.005 0.000 0.736 178 E HN 0.448 nan 8.360 nan 0.000 0.460 179 Q N -0.633 118.961 119.800 -0.342 0.000 2.408 179 Q HA 0.066 4.406 4.340 0.001 0.000 0.205 179 Q C 0.569 176.440 176.000 -0.214 0.000 0.919 179 Q CA -0.024 55.500 55.803 -0.465 0.000 0.932 179 Q CB 0.512 28.669 28.738 -0.968 0.000 1.058 179 Q HN -0.036 nan 8.270 nan 0.000 0.517 180 R N 1.845 122.277 120.500 -0.114 0.000 2.460 180 R HA 0.298 4.638 4.340 0.001 0.000 0.303 180 R C -2.591 173.689 176.300 -0.034 0.000 0.968 180 R CA -2.170 53.877 56.100 -0.088 0.000 0.889 180 R CB 0.984 31.064 30.300 -0.366 0.000 1.123 180 R HN -0.153 nan 8.270 nan 0.000 0.455 181 P HA 0.006 nan 4.420 nan 0.000 0.269 181 P C -0.560 176.904 177.300 0.274 0.000 1.209 181 P CA -0.008 63.181 63.100 0.148 0.000 0.776 181 P CB 0.584 32.389 31.700 0.175 0.000 0.876 182 L N 3.273 124.597 121.223 0.168 0.000 2.367 182 L HA 0.134 4.474 4.340 0.001 0.000 0.275 182 L C 1.619 178.585 176.870 0.159 0.000 1.129 182 L CA -0.093 54.900 54.840 0.253 0.000 0.839 182 L CB 0.319 42.560 42.059 0.302 0.000 1.133 182 L HN 0.401 nan 8.230 nan 0.000 0.453 183 L N 3.909 125.287 121.223 0.259 0.000 2.500 183 L HA 0.193 4.534 4.340 0.001 0.000 0.219 183 L C -0.117 176.917 176.870 0.273 0.000 1.057 183 L CA 0.255 55.148 54.840 0.088 0.000 0.854 183 L CB 0.780 42.681 42.059 -0.262 0.000 1.078 183 L HN 0.322 nan 8.230 nan 0.000 0.480 184 V N 1.265 121.346 119.914 0.278 0.000 2.448 184 V HA 0.224 4.344 4.120 0.001 0.000 0.295 184 V C -0.398 175.809 176.094 0.189 0.000 1.025 184 V CA -0.960 61.459 62.300 0.199 0.000 0.859 184 V CB 1.634 33.514 31.823 0.096 0.000 0.988 184 V HN 0.191 nan 8.190 nan 0.000 0.431 185 K N 2.513 122.890 120.400 -0.039 0.000 2.205 185 K HA 0.513 4.834 4.320 0.001 0.000 0.279 185 K C -0.542 176.024 176.600 -0.056 0.000 1.027 185 K CA -0.588 55.621 56.287 -0.129 0.000 0.932 185 K CB 0.704 32.868 32.500 -0.559 0.000 1.032 185 K HN 0.561 nan 8.250 nan 0.000 0.466 186 D N 1.089 121.488 120.400 -0.002 0.000 2.800 186 D HA -0.149 4.492 4.640 0.001 0.000 0.232 186 D C -0.956 175.353 176.300 0.015 0.000 1.137 186 D CA 1.445 55.447 54.000 0.003 0.000 0.718 186 D CB -0.885 39.900 40.800 -0.024 0.000 1.084 186 D HN 0.794 nan 8.370 nan 0.000 0.432 187 D N -1.566 118.857 120.400 0.038 0.000 2.668 187 D HA 0.389 5.030 4.640 0.001 0.000 0.234 187 D C 0.954 177.293 176.300 0.065 0.000 1.349 187 D CA 0.242 54.267 54.000 0.042 0.000 0.889 187 D CB 0.155 40.973 40.800 0.031 0.000 1.520 187 D HN 0.015 nan 8.370 nan 0.000 0.521 188 A N 1.961 124.821 122.820 0.067 0.000 1.940 188 A HA -0.177 4.143 4.320 0.001 0.000 0.219 188 A C 1.651 179.285 177.584 0.083 0.000 1.176 188 A CA 1.514 53.599 52.037 0.081 0.000 0.631 188 A CB -0.018 19.022 19.000 0.066 0.000 0.814 188 A HN 0.445 nan 8.150 nan 0.000 0.446 189 D N 0.153 120.592 120.400 0.064 0.000 2.097 189 D HA -0.038 4.602 4.640 0.001 0.000 0.197 189 D C 2.252 178.592 176.300 0.067 0.000 0.984 189 D CA 1.519 55.556 54.000 0.061 0.000 0.826 189 D CB -0.541 40.285 40.800 0.044 0.000 0.973 189 D HN 0.430 nan 8.370 nan 0.000 0.460 190 A N 0.926 123.781 122.820 0.059 0.000 1.933 190 A HA -0.220 4.100 4.320 0.001 0.000 0.218 190 A C 1.964 179.592 177.584 0.074 0.000 1.175 190 A CA 2.076 54.145 52.037 0.052 0.000 0.628 190 A CB -0.648 18.374 19.000 0.038 0.000 0.814 190 A HN 0.204 nan 8.150 nan 0.000 0.444 191 D N -0.448 120.019 120.400 0.112 0.000 2.117 191 D HA -0.147 4.493 4.640 0.001 0.000 0.198 191 D C 1.288 177.746 176.300 0.263 0.000 0.982 191 D CA 1.452 55.562 54.000 0.182 0.000 0.828 191 D CB -0.081 40.856 40.800 0.229 0.000 0.967 191 D HN 0.343 nan 8.370 nan 0.000 0.464 192 D N -0.073 120.451 120.400 0.208 0.000 2.117 192 D HA -0.130 4.510 4.640 0.001 0.000 0.197 192 D C 2.027 178.442 176.300 0.192 0.000 0.987 192 D CA 1.384 55.511 54.000 0.212 0.000 0.829 192 D CB -0.562 40.317 40.800 0.132 0.000 0.961 192 D HN 0.323 nan 8.370 nan 0.000 0.460 193 A N 0.848 123.741 122.820 0.121 0.000 1.902 193 A HA -0.221 4.100 4.320 0.001 0.000 0.217 193 A C 2.147 179.765 177.584 0.057 0.000 1.181 193 A CA 1.995 54.081 52.037 0.081 0.000 0.623 193 A CB -0.574 18.455 19.000 0.049 0.000 0.818 193 A HN 0.173 nan 8.150 nan 0.000 0.443 194 E N -0.710 119.502 120.200 0.020 0.000 2.058 194 E HA -0.224 4.126 4.350 0.001 0.000 0.194 194 E C 1.701 178.225 176.600 -0.125 0.000 0.997 194 E CA 1.852 58.196 56.400 -0.093 0.000 0.801 194 E CB -0.522 29.073 29.700 -0.175 0.000 0.746 194 E HN 0.733 nan 8.360 nan 0.000 0.450 195 W N 0.614 121.882 121.300 -0.052 0.000 2.381 195 W HA -0.088 4.572 4.660 0.001 0.000 0.301 195 W C 2.262 178.792 176.519 0.017 0.000 1.205 195 W CA 1.137 58.420 57.345 -0.103 0.000 1.285 195 W CB -0.494 28.941 29.460 -0.042 0.000 1.133 195 W HN 0.232 nan 8.180 nan 0.000 0.521 196 D N 0.070 120.651 120.400 0.301 0.000 2.133 196 D HA -0.233 4.407 4.640 0.001 0.000 0.195 196 D C 2.136 178.520 176.300 0.139 0.000 0.997 196 D CA 1.611 55.746 54.000 0.225 0.000 0.840 196 D CB -0.197 40.688 40.800 0.140 0.000 0.947 196 D HN -0.054 nan 8.370 nan 0.000 0.452 197 R N -0.509 120.027 120.500 0.060 0.000 2.083 197 R HA -0.094 4.247 4.340 0.001 0.000 0.237 197 R C 2.481 178.753 176.300 -0.047 0.000 1.137 197 R CA 1.233 57.329 56.100 -0.007 0.000 0.951 197 R CB -0.265 30.008 30.300 -0.044 0.000 0.851 197 R HN 0.276 nan 8.270 nan 0.000 0.434 198 L N -0.935 120.230 121.223 -0.096 0.000 2.072 198 L HA -0.156 4.185 4.340 0.001 0.000 0.205 198 L C 2.253 179.067 176.870 -0.094 0.000 1.079 198 L CA 0.991 55.722 54.840 -0.182 0.000 0.752 198 L CB -0.524 41.325 42.059 -0.350 0.000 0.906 198 L HN 0.204 nan 8.230 nan 0.000 0.436 199 Y N 0.378 120.688 120.300 0.018 0.000 2.224 199 Y HA -0.223 4.327 4.550 0.001 0.000 0.289 199 Y C 2.862 178.743 175.900 -0.031 0.000 1.146 199 Y CA 1.499 59.611 58.100 0.020 0.000 1.182 199 Y CB -1.034 37.465 38.460 0.065 0.000 0.983 199 Y HN 0.123 nan 8.280 nan 0.000 0.524 200 T N -0.446 114.185 114.554 0.128 0.000 2.821 200 T HA -0.173 4.177 4.350 0.001 0.000 0.267 200 T C 1.992 176.665 174.700 -0.045 0.000 1.046 200 T CA 1.450 63.576 62.100 0.043 0.000 1.139 200 T CB -0.110 68.777 68.868 0.032 0.000 0.871 200 T HN 0.218 nan 8.240 nan 0.000 0.454 201 K N 0.817 121.134 120.400 -0.138 0.000 2.057 201 K HA 0.017 4.337 4.320 0.001 0.000 0.206 201 K C 2.550 178.829 176.600 -0.536 0.000 1.050 201 K CA 1.082 57.162 56.287 -0.346 0.000 0.935 201 K CB -0.267 31.982 32.500 -0.418 0.000 0.715 201 K HN 0.264 nan 8.250 nan 0.000 0.439 202 A N 1.341 123.951 122.820 -0.350 0.000 1.902 202 A HA -0.207 4.114 4.320 0.001 0.000 0.217 202 A C 1.797 179.381 177.584 -0.001 0.000 1.181 202 A CA 1.737 53.634 52.037 -0.235 0.000 0.623 202 A CB -0.468 18.510 19.000 -0.037 0.000 0.818 202 A HN 0.438 nan 8.150 nan 0.000 0.443 203 E N -0.664 119.576 120.200 0.068 0.000 2.153 203 E HA -0.127 4.223 4.350 0.001 0.000 0.194 203 E C 2.218 178.899 176.600 0.135 0.000 0.988 203 E CA 1.032 57.517 56.400 0.142 0.000 0.811 203 E CB -0.127 29.631 29.700 0.096 0.000 0.746 203 E HN 0.585 nan 8.360 nan 0.000 0.466 204 S N -0.461 115.269 115.700 0.050 0.000 2.355 204 S HA -0.151 4.319 4.470 0.001 0.000 0.222 204 S C 1.736 176.481 174.600 0.242 0.000 1.031 204 S CA 0.878 59.138 58.200 0.099 0.000 0.993 204 S CB -0.180 63.039 63.200 0.032 0.000 0.859 204 S HN 0.273 nan 8.310 nan 0.000 0.453 205 Y N 0.398 120.706 120.300 0.014 0.000 2.128 205 Y HA -0.050 4.500 4.550 0.001 0.000 0.284 205 Y C 2.139 178.062 175.900 0.039 0.000 1.154 205 Y CA 0.522 58.594 58.100 -0.047 0.000 1.149 205 Y CB -1.248 37.092 38.460 -0.199 0.000 0.976 205 Y HN 0.317 nan 8.280 nan 0.000 0.505 206 F N 0.306 120.414 119.950 0.263 0.000 2.661 206 F HA -0.016 4.512 4.527 0.001 0.000 0.298 206 F C 0.864 176.779 175.800 0.191 0.000 1.137 206 F CA 0.301 58.446 58.000 0.242 0.000 1.454 206 F CB -0.488 38.674 39.000 0.271 0.000 1.103 206 F HN 0.052 nan 8.300 nan 0.000 0.577 207 Q N 0.315 120.310 119.800 0.326 0.000 2.468 207 Q HA -0.196 4.144 4.340 0.001 0.000 0.289 207 Q C 0.128 176.221 176.000 0.156 0.000 1.299 207 Q CA 0.825 56.745 55.803 0.195 0.000 0.838 207 Q CB -2.774 26.054 28.738 0.150 0.000 1.195 207 Q HN 0.242 nan 8.270 nan 0.000 0.456 208 T N -0.062 114.600 114.554 0.179 0.000 2.940 208 T HA 0.436 4.786 4.350 0.001 0.000 0.309 208 T C 0.835 175.573 174.700 0.063 0.000 1.056 208 T CA 0.567 62.734 62.100 0.112 0.000 1.137 208 T CB 1.321 70.263 68.868 0.123 0.000 0.976 208 T HN 0.509 nan 8.240 nan 0.000 0.547 209 G N 0.375 109.196 108.800 0.036 0.000 2.684 209 G HA2 0.539 4.500 3.960 0.001 0.000 0.290 209 G HA3 0.539 4.500 3.960 0.001 0.000 0.290 209 G C 0.031 174.946 174.900 0.025 0.000 1.425 209 G CA -0.509 44.604 45.100 0.021 0.000 0.822 209 G HN 0.657 nan 8.290 nan 0.000 0.482 210 T N -2.453 112.116 114.554 0.025 0.000 3.288 210 T HA 0.266 4.616 4.350 0.001 0.000 0.293 210 T C 0.120 174.844 174.700 0.040 0.000 1.008 210 T CA 0.512 62.637 62.100 0.041 0.000 0.929 210 T CB 0.392 69.287 68.868 0.045 0.000 1.152 210 T HN 0.479 nan 8.240 nan 0.000 0.517 211 D N 0.314 120.720 120.400 0.009 0.000 2.500 211 D HA 0.079 4.719 4.640 0.001 0.000 0.217 211 D C 1.359 177.609 176.300 -0.083 0.000 1.159 211 D CA -0.072 53.913 54.000 -0.024 0.000 0.828 211 D CB -0.082 40.696 40.800 -0.037 0.000 1.039 211 D HN 0.267 nan 8.370 nan 0.000 0.512 212 Q N -0.465 119.287 119.800 -0.081 0.000 2.369 212 Q HA 0.174 4.514 4.340 0.001 0.000 0.206 212 Q C 0.285 175.971 176.000 -0.524 0.000 0.963 212 Q CA 0.840 56.482 55.803 -0.267 0.000 0.894 212 Q CB -0.198 28.371 28.738 -0.282 0.000 0.965 212 Q HN 0.272 nan 8.270 nan 0.000 0.475 213 F N -0.041 119.753 119.950 -0.260 0.000 2.698 213 F HA 0.228 4.755 4.527 0.001 0.000 0.304 213 F C 1.321 176.918 175.800 -0.339 0.000 1.108 213 F CA -0.554 57.238 58.000 -0.346 0.000 1.263 213 F CB 0.336 39.046 39.000 -0.484 0.000 1.013 213 F HN -0.009 nan 8.300 nan 0.000 0.532 214 K N 0.471 120.796 120.400 -0.125 0.000 2.152 214 K HA -0.161 4.159 4.320 0.001 0.000 0.206 214 K C 0.926 177.494 176.600 -0.054 0.000 1.048 214 K CA 1.855 58.124 56.287 -0.031 0.000 0.933 214 K CB -0.220 32.249 32.500 -0.051 0.000 0.721 214 K HN 0.321 nan 8.250 nan 0.000 0.447 215 E N 1.461 121.520 120.200 -0.235 0.000 2.465 215 E HA 0.046 4.396 4.350 0.001 0.000 0.195 215 E C -0.560 175.960 176.600 -0.133 0.000 1.028 215 E CA -0.323 55.779 56.400 -0.498 0.000 0.899 215 E CB 0.838 30.091 29.700 -0.745 0.000 1.032 215 E HN 0.265 nan 8.360 nan 0.000 0.468 216 S N 0.610 116.335 115.700 0.042 0.000 2.528 216 S HA 0.140 4.610 4.470 0.001 0.000 0.277 216 S C 1.271 175.965 174.600 0.157 0.000 1.297 216 S CA -0.459 57.803 58.200 0.103 0.000 1.052 216 S CB 0.515 63.818 63.200 0.173 0.000 0.917 216 S HN 0.194 nan 8.310 nan 0.000 0.492 217 I N 4.668 125.200 120.570 -0.064 0.000 2.202 217 I HA -0.158 4.012 4.170 0.001 0.000 0.242 217 I C 2.761 178.757 176.117 -0.201 0.000 1.091 217 I CA 1.117 62.151 61.300 -0.445 0.000 1.368 217 I CB -0.270 37.241 38.000 -0.814 0.000 1.058 217 I HN 0.726 nan 8.210 nan 0.000 0.410 218 R N -0.361 120.086 120.500 -0.088 0.000 2.083 218 R HA -0.249 4.092 4.340 0.001 0.000 0.237 218 R C 2.380 178.730 176.300 0.083 0.000 1.137 218 R CA 1.920 58.019 56.100 -0.002 0.000 0.951 218 R CB -0.733 29.573 30.300 0.009 0.000 0.851 218 R HN 0.423 nan 8.270 nan 0.000 0.434 219 H N 1.180 120.282 119.070 0.053 0.000 2.290 219 H HA -0.074 4.482 4.556 0.001 0.000 0.298 219 H C 1.813 177.217 175.328 0.125 0.000 1.087 219 H CA 1.974 58.072 56.048 0.083 0.000 1.291 219 H CB -0.155 29.688 29.762 0.135 0.000 1.369 219 H HN 0.132 nan 8.280 nan 0.000 0.492 220 N N 0.026 118.840 118.700 0.190 0.000 2.223 220 N HA -0.132 4.609 4.740 0.001 0.000 0.185 220 N C 1.976 177.620 175.510 0.224 0.000 1.016 220 N CA 0.980 54.173 53.050 0.238 0.000 0.863 220 N CB -0.224 38.612 38.487 0.582 0.000 0.983 220 N HN 0.293 nan 8.380 nan 0.000 0.429 221 L N 1.099 122.468 121.223 0.244 0.000 2.017 221 L HA -0.107 4.233 4.340 0.001 0.000 0.208 221 L C 2.191 179.106 176.870 0.074 0.000 1.073 221 L CA 1.275 56.244 54.840 0.215 0.000 0.745 221 L CB -0.568 41.590 42.059 0.164 0.000 0.894 221 L HN -0.113 nan 8.230 nan 0.000 0.432 222 V N -0.956 118.959 119.914 0.001 0.000 2.323 222 V HA -0.239 3.882 4.120 0.001 0.000 0.244 222 V C 2.398 178.411 176.094 -0.135 0.000 1.041 222 V CA 1.476 63.740 62.300 -0.060 0.000 1.025 222 V CB -0.626 31.136 31.823 -0.102 0.000 0.656 222 V HN 0.461 nan 8.190 nan 0.000 0.451 223 L N 1.178 122.284 121.223 -0.195 0.000 1.990 223 L HA -0.217 4.124 4.340 0.001 0.000 0.213 223 L C 2.175 178.975 176.870 -0.117 0.000 1.072 223 L CA 2.203 56.923 54.840 -0.199 0.000 0.755 223 L CB -1.029 40.869 42.059 -0.269 0.000 0.889 223 L HN 0.341 nan 8.230 nan 0.000 0.432 224 N N -0.376 118.299 118.700 -0.042 0.000 2.142 224 N HA -0.176 4.565 4.740 0.001 0.000 0.186 224 N C 1.830 177.317 175.510 -0.039 0.000 1.023 224 N CA 1.162 54.203 53.050 -0.014 0.000 0.852 224 N CB -0.343 38.156 38.487 0.020 0.000 0.998 224 N HN 0.258 nan 8.380 nan 0.000 0.424 225 K N 1.467 121.844 120.400 -0.039 0.000 2.032 225 K HA 0.030 4.351 4.320 0.001 0.000 0.209 225 K C 1.916 178.474 176.600 -0.070 0.000 1.048 225 K CA 1.036 57.301 56.287 -0.036 0.000 0.927 225 K CB -0.508 31.987 32.500 -0.008 0.000 0.712 225 K HN 0.148 nan 8.250 nan 0.000 0.441 226 L N -0.224 120.889 121.223 -0.184 0.000 2.109 226 L HA -0.114 4.227 4.340 0.001 0.000 0.207 226 L C 2.238 178.946 176.870 -0.271 0.000 1.086 226 L CA 1.491 56.122 54.840 -0.349 0.000 0.760 226 L CB -0.724 40.731 42.059 -1.007 0.000 0.910 226 L HN 0.200 nan 8.230 nan 0.000 0.437 227 T N -0.654 113.771 114.554 -0.215 0.000 2.665 227 T HA -0.268 4.082 4.350 0.001 0.000 0.268 227 T C 1.766 176.514 174.700 0.079 0.000 1.035 227 T CA 1.917 64.045 62.100 0.046 0.000 1.151 227 T CB -0.123 68.779 68.868 0.057 0.000 0.862 227 T HN 0.286 nan 8.240 nan 0.000 0.438 228 E N 0.956 121.168 120.200 0.020 0.000 2.051 228 E HA -0.137 4.213 4.350 0.001 0.000 0.192 228 E C 2.278 178.882 176.600 0.006 0.000 0.991 228 E CA 1.130 57.538 56.400 0.012 0.000 0.799 228 E CB -0.108 29.582 29.700 -0.016 0.000 0.748 228 E HN 0.318 nan 8.360 nan 0.000 0.449 229 E N -0.550 119.642 120.200 -0.013 0.000 2.153 229 E HA -0.174 4.177 4.350 0.001 0.000 0.194 229 E C 0.705 177.174 176.600 -0.219 0.000 0.988 229 E CA 0.959 57.284 56.400 -0.125 0.000 0.811 229 E CB -0.112 29.484 29.700 -0.174 0.000 0.746 229 E HN 0.480 nan 8.360 nan 0.000 0.466 230 Y N 0.530 120.867 120.300 0.061 0.000 2.756 230 Y HA 0.191 4.742 4.550 0.001 0.000 0.300 230 Y C 0.564 176.525 175.900 0.102 0.000 1.113 230 Y CA -0.404 57.767 58.100 0.118 0.000 1.291 230 Y CB 0.236 38.851 38.460 0.258 0.000 1.175 230 Y HN -0.301 nan 8.280 nan 0.000 0.534 231 K N 0.820 121.308 120.400 0.146 0.000 2.453 231 K HA 0.114 4.434 4.320 0.001 0.000 0.280 231 K C 1.129 177.786 176.600 0.094 0.000 1.045 231 K CA 1.297 57.648 56.287 0.106 0.000 1.059 231 K CB -0.034 32.496 32.500 0.051 0.000 0.901 231 K HN 0.730 nan 8.250 nan 0.000 0.475 232 G N 3.248 112.106 108.800 0.098 0.000 2.179 232 G HA2 -0.290 3.671 3.960 0.001 0.000 0.260 232 G HA3 -0.290 3.671 3.960 0.001 0.000 0.260 232 G C 0.576 175.529 174.900 0.088 0.000 0.977 232 G CA 0.644 45.789 45.100 0.075 0.000 0.641 232 G HN 0.724 nan 8.290 nan 0.000 0.533 233 Q N -1.405 118.473 119.800 0.130 0.000 2.577 233 Q HA 0.260 4.600 4.340 0.001 0.000 0.242 233 Q C 1.067 177.148 176.000 0.135 0.000 0.818 233 Q CA 0.088 55.977 55.803 0.143 0.000 0.962 233 Q CB 1.027 29.883 28.738 0.195 0.000 1.272 233 Q HN 0.472 nan 8.270 nan 0.000 0.593 234 R N 0.721 121.312 120.500 0.152 0.000 2.725 234 R HA 0.407 4.747 4.340 0.001 0.000 0.277 234 R C -1.518 174.797 176.300 0.025 0.000 0.987 234 R CA -0.708 55.391 56.100 -0.001 0.000 0.901 234 R CB 1.740 31.849 30.300 -0.318 0.000 1.207 234 R HN -0.018 nan 8.270 nan 0.000 0.463 235 D N 1.429 121.779 120.400 -0.083 0.000 2.163 235 D HA 0.391 5.032 4.640 0.001 0.000 0.248 235 D C -0.702 175.450 176.300 -0.247 0.000 1.035 235 D CA 0.111 54.093 54.000 -0.030 0.000 0.872 235 D CB 1.265 42.063 40.800 -0.004 0.000 1.183 235 D HN 0.148 nan 8.370 nan 0.000 0.445 236 F N 0.559 120.508 119.950 -0.002 0.000 2.546 236 F HA 0.360 4.888 4.527 0.001 0.000 0.320 236 F C 0.618 176.426 175.800 0.013 0.000 1.076 236 F CA -0.582 57.408 58.000 -0.016 0.000 0.928 236 F CB 1.872 40.855 39.000 -0.028 0.000 1.189 236 F HN 0.222 nan 8.300 nan 0.000 0.465 237 Q N -0.054 119.852 119.800 0.178 0.000 2.814 237 Q HA 0.343 4.683 4.340 0.001 0.000 0.322 237 Q C -1.572 174.533 176.000 0.175 0.000 0.861 237 Q CA -1.308 54.584 55.803 0.149 0.000 0.773 237 Q CB 1.645 30.440 28.738 0.095 0.000 1.423 237 Q HN 0.599 nan 8.270 nan 0.000 0.495 238 Q N 0.871 120.793 119.800 0.203 0.000 2.332 238 Q HA 0.252 4.593 4.340 0.001 0.000 0.263 238 Q C -0.533 175.532 176.000 0.109 0.000 0.979 238 Q CA -0.238 55.692 55.803 0.212 0.000 0.885 238 Q CB 0.542 29.378 28.738 0.164 0.000 1.218 238 Q HN 0.557 nan 8.270 nan 0.000 0.405 239 I N 6.560 127.176 120.570 0.075 0.000 2.821 239 I HA -0.070 4.100 4.170 0.001 0.000 0.294 239 I C -1.979 174.162 176.117 0.040 0.000 1.210 239 I CA -1.325 60.000 61.300 0.043 0.000 1.430 239 I CB 0.118 38.120 38.000 0.003 0.000 1.356 239 I HN 0.444 nan 8.210 nan 0.000 0.563 240 P HA 0.228 nan 4.420 nan 0.000 0.271 240 P C -0.921 176.383 177.300 0.005 0.000 1.233 240 P CA 0.141 63.252 63.100 0.019 0.000 0.764 240 P CB 0.458 32.157 31.700 -0.002 0.000 0.825 241 L N 2.499 123.733 121.223 0.018 0.000 2.385 241 L HA 0.615 4.956 4.340 0.001 0.000 0.273 241 L C 0.256 177.125 176.870 -0.001 0.000 0.990 241 L CA -1.134 53.714 54.840 0.013 0.000 0.821 241 L CB 2.121 44.249 42.059 0.116 0.000 1.279 241 L HN 0.253 nan 8.230 nan 0.000 0.412 242 A N 3.322 126.100 122.820 -0.070 0.000 2.671 242 A HA 0.752 5.072 4.320 0.001 0.000 0.306 242 A C 0.044 177.655 177.584 0.044 0.000 1.473 242 A CA 0.121 52.159 52.037 0.001 0.000 1.155 242 A CB -0.346 18.603 19.000 -0.085 0.000 1.123 242 A HN 0.787 nan 8.150 nan 0.000 0.545 243 A N 1.837 124.650 122.820 -0.011 0.000 2.590 243 A HA 0.736 5.056 4.320 0.001 0.000 0.294 243 A C -0.500 176.975 177.584 -0.182 0.000 1.046 243 A CA -0.482 51.444 52.037 -0.186 0.000 0.684 243 A CB 0.758 19.441 19.000 -0.528 0.000 1.279 243 A HN 0.653 nan 8.150 nan 0.000 0.415 244 T N 1.341 115.761 114.554 -0.222 0.000 2.841 244 T HA 0.506 4.856 4.350 0.001 0.000 0.285 244 T C -0.055 174.505 174.700 -0.234 0.000 0.991 244 T CA -0.467 61.531 62.100 -0.171 0.000 0.966 244 T CB 1.313 70.138 68.868 -0.071 0.000 0.962 244 T HN 0.734 nan 8.240 nan 0.000 0.438 245 R N 2.354 122.705 120.500 -0.248 0.000 2.401 245 R HA 0.225 4.566 4.340 0.001 0.000 0.299 245 R C 0.770 176.998 176.300 -0.118 0.000 1.064 245 R CA -0.334 55.619 56.100 -0.246 0.000 1.000 245 R CB 0.358 30.475 30.300 -0.305 0.000 0.973 245 R HN 0.424 nan 8.270 nan 0.000 0.438 246 R N 1.251 121.737 120.500 -0.023 0.000 2.195 246 R HA 0.129 4.470 4.340 0.001 0.000 0.197 246 R C 0.282 176.562 176.300 -0.034 0.000 0.990 246 R CA 0.714 56.812 56.100 -0.004 0.000 1.048 246 R CB 0.303 30.623 30.300 0.034 0.000 0.997 246 R HN 0.758 nan 8.270 nan 0.000 0.502 247 S N -1.347 114.349 115.700 -0.008 0.000 2.643 247 S HA 0.401 4.871 4.470 0.001 0.000 0.270 247 S C -2.614 171.956 174.600 -0.050 0.000 1.166 247 S CA -1.101 57.080 58.200 -0.031 0.000 0.815 247 S CB 2.266 65.461 63.200 -0.009 0.000 1.139 247 S HN -0.269 nan 8.310 nan 0.000 0.472 248 P HA 0.035 nan 4.420 nan 0.000 0.225 248 P C 0.949 178.216 177.300 -0.056 0.000 1.148 248 P CA 1.566 64.619 63.100 -0.078 0.000 0.779 248 P CB -0.141 31.527 31.700 -0.054 0.000 0.780 249 T N -6.347 108.209 114.554 0.003 0.000 3.200 249 T HA 0.306 4.657 4.350 0.001 0.000 0.284 249 T C -0.315 174.447 174.700 0.102 0.000 1.009 249 T CA -0.417 61.704 62.100 0.035 0.000 0.907 249 T CB -0.677 68.225 68.868 0.058 0.000 1.120 249 T HN -0.132 nan 8.240 nan 0.000 0.534 250 F N 1.486 121.376 119.950 -0.100 0.000 2.585 250 F HA 0.649 5.177 4.527 0.001 0.000 0.319 250 F C -1.637 174.041 175.800 -0.203 0.000 1.165 250 F CA -1.155 56.783 58.000 -0.103 0.000 0.949 250 F CB 1.932 40.887 39.000 -0.075 0.000 1.218 250 F HN -0.083 nan 8.300 nan 0.000 0.453 251 V N 5.298 124.856 119.914 -0.593 0.000 2.417 251 V HA 0.289 4.409 4.120 0.001 0.000 0.291 251 V C -0.294 175.237 176.094 -0.939 0.000 1.024 251 V CA -0.830 61.034 62.300 -0.727 0.000 0.861 251 V CB 1.622 32.810 31.823 -1.057 0.000 0.985 251 V HN 0.730 nan 8.190 nan 0.000 0.436 252 E N 4.442 124.382 120.200 -0.432 0.000 2.003 252 E HA 0.153 4.504 4.350 0.001 0.000 0.279 252 E C -1.116 175.298 176.600 -0.311 0.000 1.132 252 E CA -0.518 55.776 56.400 -0.177 0.000 0.888 252 E CB 0.423 30.207 29.700 0.140 0.000 1.056 252 E HN 0.624 nan 8.360 nan 0.000 0.399 253 W N 2.891 124.082 121.300 -0.182 0.000 2.238 253 W HA 0.151 4.811 4.660 0.001 0.000 0.321 253 W C 0.632 177.159 176.519 0.013 0.000 1.293 253 W CA -0.535 56.672 57.345 -0.229 0.000 1.204 253 W CB 0.911 29.992 29.460 -0.631 0.000 1.167 253 W HN 0.315 nan 8.180 nan 0.000 0.553 254 S N 1.606 117.511 115.700 0.342 0.000 2.624 254 S HA 0.651 5.122 4.470 0.001 0.000 0.263 254 S C 0.128 175.186 174.600 0.763 0.000 1.287 254 S CA -0.482 57.999 58.200 0.468 0.000 0.990 254 S CB 1.145 64.621 63.200 0.460 0.000 0.950 254 S HN 0.529 nan 8.310 nan 0.000 0.561 255 S N -0.679 115.429 115.700 0.680 0.000 2.671 255 S HA 0.630 5.101 4.470 0.001 0.000 0.270 255 S C 0.611 175.433 174.600 0.371 0.000 1.166 255 S CA -0.322 58.199 58.200 0.536 0.000 0.868 255 S CB 0.472 63.910 63.200 0.398 0.000 1.190 255 S HN 0.736 nan 8.310 nan 0.000 0.494 256 A N 1.502 124.428 122.820 0.176 0.000 1.908 256 A HA -0.119 4.201 4.320 0.001 0.000 0.218 256 A C 1.979 179.616 177.584 0.088 0.000 1.181 256 A CA 1.984 54.078 52.037 0.094 0.000 0.627 256 A CB -1.432 17.589 19.000 0.035 0.000 0.818 256 A HN 0.853 nan 8.150 nan 0.000 0.445 257 N N -0.330 118.428 118.700 0.097 0.000 2.205 257 N HA -0.153 4.588 4.740 0.001 0.000 0.186 257 N C 1.464 177.003 175.510 0.049 0.000 1.015 257 N CA 1.988 55.066 53.050 0.047 0.000 0.862 257 N CB -0.209 38.318 38.487 0.067 0.000 0.986 257 N HN 0.457 nan 8.380 nan 0.000 0.429 258 T N 0.326 114.962 114.554 0.137 0.000 2.821 258 T HA -0.044 4.307 4.350 0.001 0.000 0.267 258 T C 2.056 176.796 174.700 0.067 0.000 1.046 258 T CA 1.106 63.292 62.100 0.144 0.000 1.139 258 T CB -0.126 68.909 68.868 0.279 0.000 0.871 258 T HN 0.064 nan 8.240 nan 0.000 0.454 259 V N -0.447 119.485 119.914 0.031 0.000 2.379 259 V HA 0.188 4.308 4.120 0.001 0.000 0.245 259 V C 0.481 176.533 176.094 -0.070 0.000 1.044 259 V CA 0.871 63.107 62.300 -0.106 0.000 1.036 259 V CB -0.386 31.326 31.823 -0.184 0.000 0.664 259 V HN 0.479 nan 8.190 nan 0.000 0.453 260 F N 1.075 120.902 119.950 -0.205 0.000 2.604 260 F HA 0.411 4.938 4.527 0.001 0.000 0.316 260 F C 0.215 175.901 175.800 -0.190 0.000 1.136 260 F CA -1.581 56.269 58.000 -0.249 0.000 0.989 260 F CB 1.501 40.307 39.000 -0.323 0.000 1.258 260 F HN 0.137 nan 8.300 nan 0.000 0.451 261 D N 4.465 124.359 120.400 -0.844 0.000 2.347 261 D HA -0.027 4.613 4.640 0.001 0.000 0.215 261 D C 1.114 177.115 176.300 -0.499 0.000 0.976 261 D CA 1.135 54.824 54.000 -0.519 0.000 0.884 261 D CB -0.025 40.540 40.800 -0.392 0.000 0.915 261 D HN 0.666 nan 8.370 nan 0.000 0.526 262 L N -1.727 118.999 121.223 -0.829 0.000 4.496 262 L HA -0.225 4.115 4.340 0.001 0.000 0.419 262 L C -0.326 176.487 176.870 -0.095 0.000 1.139 262 L CA 0.371 55.026 54.840 -0.308 0.000 0.975 262 L CB -1.329 40.718 42.059 -0.020 0.000 2.099 262 L HN 0.224 nan 8.230 nan 0.000 0.818 263 Q N 0.807 120.458 119.800 -0.247 0.000 2.293 263 Q HA 0.284 4.625 4.340 0.001 0.000 0.251 263 Q C 0.357 176.416 176.000 0.098 0.000 0.930 263 Q CA -0.270 55.488 55.803 -0.075 0.000 0.893 263 Q CB 0.809 29.470 28.738 -0.129 0.000 1.215 263 Q HN 0.127 nan 8.270 nan 0.000 0.425 264 N N 1.856 120.613 118.700 0.095 0.000 2.441 264 N HA 0.097 4.837 4.740 0.001 0.000 0.251 264 N C -0.302 175.276 175.510 0.114 0.000 1.242 264 N CA 0.395 53.513 53.050 0.113 0.000 0.898 264 N CB 0.591 39.045 38.487 -0.055 0.000 1.100 264 N HN 0.260 nan 8.380 nan 0.000 0.443 265 R N 1.050 121.646 120.500 0.161 0.000 2.744 265 R HA 0.465 4.806 4.340 0.001 0.000 0.279 265 R C -2.548 173.816 176.300 0.105 0.000 0.977 265 R CA -1.645 54.536 56.100 0.136 0.000 0.906 265 R CB 1.739 32.149 30.300 0.182 0.000 1.197 265 R HN 0.340 nan 8.270 nan 0.000 0.463 266 P HA 0.061 nan 4.420 nan 0.000 0.268 266 P C -1.217 176.138 177.300 0.092 0.000 1.205 266 P CA -0.118 63.075 63.100 0.156 0.000 0.771 266 P CB 0.592 32.432 31.700 0.234 0.000 0.858 267 N N -0.913 117.829 118.700 0.070 0.000 3.157 267 N HA 0.283 5.023 4.740 0.001 0.000 0.291 267 N C 0.457 175.982 175.510 0.025 0.000 1.515 267 N CA -0.774 52.297 53.050 0.035 0.000 0.807 267 N CB -0.522 37.973 38.487 0.014 0.000 1.672 267 N HN 0.034 nan 8.380 nan 0.000 0.592 268 T N -0.661 113.899 114.554 0.009 0.000 2.684 268 T HA -0.111 4.240 4.350 0.001 0.000 0.267 268 T C 0.444 175.144 174.700 -0.001 0.000 1.036 268 T CA 1.665 63.767 62.100 0.002 0.000 1.148 268 T CB -0.462 68.403 68.868 -0.004 0.000 0.863 268 T HN 0.527 nan 8.240 nan 0.000 0.436 269 D N 1.250 121.646 120.400 -0.007 0.000 2.277 269 D HA 0.138 4.778 4.640 0.001 0.000 0.208 269 D C 0.855 177.155 176.300 -0.000 0.000 0.962 269 D CA 0.509 54.503 54.000 -0.011 0.000 0.865 269 D CB 0.124 40.909 40.800 -0.025 0.000 0.939 269 D HN 0.389 nan 8.370 nan 0.000 0.510 270 A N 1.442 124.271 122.820 0.015 0.000 3.216 270 A HA 0.314 4.634 4.320 0.001 0.000 0.321 270 A C -1.900 175.729 177.584 0.074 0.000 1.042 270 A CA -0.904 51.157 52.037 0.040 0.000 0.838 270 A CB 0.953 19.979 19.000 0.044 0.000 1.136 270 A HN -0.154 nan 8.150 nan 0.000 0.483 271 P HA -0.090 nan 4.420 nan 0.000 0.226 271 P C 0.590 177.958 177.300 0.113 0.000 1.153 271 P CA 1.141 64.278 63.100 0.061 0.000 0.777 271 P CB 0.443 32.143 31.700 0.000 0.000 0.794 272 E N -0.524 119.763 120.200 0.145 0.000 2.498 272 E HA 0.101 4.451 4.350 0.001 0.000 0.203 272 E C 0.168 177.029 176.600 0.434 0.000 1.013 272 E CA -0.062 56.494 56.400 0.259 0.000 0.927 272 E CB 0.461 30.217 29.700 0.092 0.000 1.012 272 E HN 0.455 nan 8.360 nan 0.000 0.482 273 E N 0.884 121.255 120.200 0.285 0.000 2.283 273 E HA 0.391 4.742 4.350 0.001 0.000 0.267 273 E C -0.294 176.384 176.600 0.131 0.000 1.045 273 E CA -0.366 56.145 56.400 0.185 0.000 0.884 273 E CB 1.339 31.128 29.700 0.147 0.000 1.106 273 E HN -0.118 nan 8.360 nan 0.000 0.408 274 R N 1.884 122.419 120.500 0.058 0.000 2.473 274 R HA 0.432 4.772 4.340 0.001 0.000 0.303 274 R C -1.574 174.821 176.300 0.159 0.000 1.002 274 R CA -0.523 55.574 56.100 -0.005 0.000 0.884 274 R CB 0.954 31.125 30.300 -0.215 0.000 1.173 274 R HN 0.401 nan 8.270 nan 0.000 0.464 275 F N 2.017 121.955 119.950 -0.018 0.000 2.635 275 F HA 0.424 4.952 4.527 0.001 0.000 0.314 275 F C -1.746 173.993 175.800 -0.101 0.000 1.119 275 F CA -0.650 57.333 58.000 -0.029 0.000 1.000 275 F CB 2.089 41.139 39.000 0.084 0.000 1.278 275 F HN 0.391 nan 8.300 nan 0.000 0.446 276 N N 4.771 122.797 118.700 -1.124 0.000 2.430 276 N HA 0.527 5.267 4.740 0.001 0.000 0.290 276 N C -1.982 172.549 175.510 -1.632 0.000 1.063 276 N CA -0.592 51.771 53.050 -1.144 0.000 0.883 276 N CB 2.277 40.277 38.487 -0.810 0.000 1.465 276 N HN 0.572 nan 8.380 nan 0.000 0.493 277 L N 2.686 123.167 121.223 -1.236 0.000 2.292 277 L HA 0.605 4.946 4.340 0.001 0.000 0.284 277 L C -1.495 174.794 176.870 -0.968 0.000 1.065 277 L CA -0.070 54.262 54.840 -0.847 0.000 0.806 277 L CB 0.036 41.938 42.059 -0.261 0.000 1.175 277 L HN 0.448 nan 8.230 nan 0.000 0.431 278 F N 6.330 126.009 119.950 -0.452 0.000 2.359 278 F HA 0.523 5.050 4.527 0.001 0.000 0.370 278 F C -2.121 173.615 175.800 -0.106 0.000 1.077 278 F CA -2.050 55.786 58.000 -0.274 0.000 1.136 278 F CB 0.672 39.463 39.000 -0.348 0.000 1.387 278 F HN 0.430 nan 8.300 nan 0.000 0.468 279 P HA 0.362 nan 4.420 nan 0.000 0.278 279 P C -0.057 177.296 177.300 0.088 0.000 1.266 279 P CA -0.275 62.861 63.100 0.059 0.000 0.807 279 P CB 1.125 32.839 31.700 0.024 0.000 1.094 280 A N -1.046 121.811 122.820 0.062 0.000 2.822 280 A HA -0.095 4.225 4.320 0.001 0.000 0.287 280 A C -0.072 177.539 177.584 0.044 0.000 1.479 280 A CA 0.694 52.760 52.037 0.048 0.000 0.779 280 A CB -2.452 16.576 19.000 0.047 0.000 1.022 280 A HN 0.258 nan 8.150 nan 0.000 0.532 281 V N -0.138 119.816 119.914 0.068 0.000 2.376 281 V HA 0.646 4.767 4.120 0.001 0.000 0.287 281 V C 0.631 176.728 176.094 0.004 0.000 1.015 281 V CA -0.293 62.047 62.300 0.066 0.000 0.834 281 V CB 1.402 33.356 31.823 0.219 0.000 1.001 281 V HN 1.481 nan 8.190 nan 0.000 0.428 282 A N 4.315 127.108 122.820 -0.045 0.000 2.395 282 A HA 0.387 4.707 4.320 0.001 0.000 0.286 282 A C 0.262 177.820 177.584 -0.042 0.000 1.193 282 A CA -0.152 51.851 52.037 -0.058 0.000 0.852 282 A CB -0.269 18.738 19.000 0.011 0.000 1.118 282 A HN 0.872 nan 8.150 nan 0.000 0.524 283 C N 3.219 122.473 119.300 -0.076 0.000 2.482 283 C HA 0.272 4.733 4.460 0.001 0.000 0.378 283 C C 1.402 176.366 174.990 -0.043 0.000 1.284 283 C CA -0.301 58.664 59.018 -0.089 0.000 1.826 283 C CB -0.735 26.947 27.740 -0.096 0.000 2.473 283 C HN 0.987 nan 8.230 nan 0.000 0.562 284 E N 1.490 121.696 120.200 0.010 0.000 2.206 284 E HA 0.076 4.426 4.350 0.001 0.000 0.195 284 E C 0.502 177.107 176.600 0.009 0.000 0.935 284 E CA 0.392 56.819 56.400 0.045 0.000 0.875 284 E CB 0.385 30.177 29.700 0.153 0.000 0.841 284 E HN 0.796 nan 8.360 nan 0.000 0.477 285 R N -0.052 120.460 120.500 0.020 0.000 2.709 285 R HA 0.384 4.724 4.340 0.001 0.000 0.270 285 R C -0.904 175.381 176.300 -0.025 0.000 1.038 285 R CA -0.798 55.293 56.100 -0.014 0.000 0.872 285 R CB 0.931 31.217 30.300 -0.023 0.000 1.259 285 R HN -0.059 nan 8.270 nan 0.000 0.473 286 V N -0.496 119.383 119.914 -0.059 0.000 2.539 286 V HA 0.628 4.749 4.120 0.001 0.000 0.292 286 V C 0.030 176.075 176.094 -0.082 0.000 1.045 286 V CA -0.803 61.425 62.300 -0.121 0.000 0.945 286 V CB 1.676 33.373 31.823 -0.210 0.000 0.993 286 V HN 0.510 nan 8.190 nan 0.000 0.464 287 V N 5.642 125.496 119.914 -0.099 0.000 2.385 287 V HA 0.436 4.556 4.120 0.001 0.000 0.269 287 V C 0.699 176.772 176.094 -0.035 0.000 1.043 287 V CA -0.448 61.819 62.300 -0.056 0.000 0.906 287 V CB 0.431 32.235 31.823 -0.032 0.000 0.995 287 V HN 0.944 nan 8.190 nan 0.000 0.467 288 R N 3.953 124.450 120.500 -0.006 0.000 2.490 288 R HA 0.263 4.604 4.340 0.001 0.000 0.280 288 R C 0.412 176.742 176.300 0.051 0.000 1.077 288 R CA -0.537 55.615 56.100 0.085 0.000 1.065 288 R CB 0.556 30.881 30.300 0.041 0.000 1.003 288 R HN 0.869 nan 8.270 nan 0.000 0.470 289 N N 1.703 120.448 118.700 0.075 0.000 2.399 289 N HA -0.012 4.729 4.740 0.001 0.000 0.250 289 N C 0.586 176.094 175.510 -0.002 0.000 1.272 289 N CA 0.169 53.234 53.050 0.024 0.000 0.928 289 N CB 0.616 39.113 38.487 0.018 0.000 1.158 289 N HN 0.586 nan 8.380 nan 0.000 0.463 290 A N 1.052 123.862 122.820 -0.016 0.000 1.978 290 A HA -0.110 4.210 4.320 0.001 0.000 0.220 290 A C 2.167 179.725 177.584 -0.043 0.000 1.170 290 A CA 1.052 53.072 52.037 -0.027 0.000 0.636 290 A CB -0.795 18.191 19.000 -0.023 0.000 0.810 290 A HN 0.679 nan 8.150 nan 0.000 0.448 291 L N -0.842 120.347 121.223 -0.057 0.000 2.552 291 L HA -0.034 4.307 4.340 0.001 0.000 0.227 291 L C -0.041 176.736 176.870 -0.155 0.000 1.146 291 L CA -0.001 54.787 54.840 -0.086 0.000 0.858 291 L CB -0.427 41.584 42.059 -0.081 0.000 0.969 291 L HN 0.423 nan 8.230 nan 0.000 0.451 292 N N 0.294 118.888 118.700 -0.178 0.000 2.714 292 N HA -0.184 4.556 4.740 0.001 0.000 0.253 292 N C 0.789 175.718 175.510 -0.967 0.000 1.024 292 N CA 1.033 53.857 53.050 -0.377 0.000 0.726 292 N CB -1.169 37.240 38.487 -0.130 0.000 0.908 292 N HN 0.537 nan 8.380 nan 0.000 0.542 293 S N -2.140 113.108 115.700 -0.754 0.000 2.679 293 S HA 0.224 4.694 4.470 0.001 0.000 0.258 293 S C 0.207 174.592 174.600 -0.358 0.000 1.068 293 S CA -0.231 57.598 58.200 -0.618 0.000 1.115 293 S CB 1.558 64.602 63.200 -0.261 0.000 1.078 293 S HN 0.390 nan 8.310 nan 0.000 0.603 294 E N 0.565 120.679 120.200 -0.143 0.000 2.352 294 E HA 0.443 4.793 4.350 0.001 0.000 0.280 294 E C -1.626 175.162 176.600 0.313 0.000 0.930 294 E CA -0.862 55.643 56.400 0.175 0.000 0.765 294 E CB 1.342 31.111 29.700 0.115 0.000 1.219 294 E HN 0.119 nan 8.360 nan 0.000 0.434 295 I N 3.627 124.361 120.570 0.274 0.000 2.395 295 I HA 0.123 4.294 4.170 0.001 0.000 0.289 295 I C 0.971 177.079 176.117 -0.014 0.000 1.023 295 I CA 0.084 61.383 61.300 -0.003 0.000 1.350 295 I CB 1.201 38.952 38.000 -0.416 0.000 1.409 295 I HN 0.705 nan 8.210 nan 0.000 0.507 296 E N 3.152 123.328 120.200 -0.041 0.000 2.340 296 E HA 0.081 4.432 4.350 0.001 0.000 0.198 296 E C 0.254 176.901 176.600 0.077 0.000 0.961 296 E CA 0.372 56.805 56.400 0.055 0.000 0.905 296 E CB 0.575 30.302 29.700 0.045 0.000 0.884 296 E HN 0.732 nan 8.360 nan 0.000 0.491 297 S N -0.449 115.214 115.700 -0.062 0.000 2.633 297 S HA 0.407 4.877 4.470 0.001 0.000 0.271 297 S C -1.674 172.885 174.600 -0.067 0.000 1.112 297 S CA -1.060 57.171 58.200 0.053 0.000 0.828 297 S CB 0.967 64.220 63.200 0.088 0.000 1.086 297 S HN 0.011 nan 8.310 nan 0.000 0.461 298 L N 2.190 123.451 121.223 0.064 0.000 2.305 298 L HA 0.659 4.999 4.340 0.001 0.000 0.284 298 L C -0.638 176.215 176.870 -0.028 0.000 1.013 298 L CA -0.132 54.706 54.840 -0.003 0.000 0.819 298 L CB 1.052 43.137 42.059 0.044 0.000 1.227 298 L HN 1.006 nan 8.230 nan 0.000 0.417 299 H N 5.358 124.380 119.070 -0.079 0.000 2.668 299 H HA 0.595 5.152 4.556 0.001 0.000 0.303 299 H C -0.409 174.865 175.328 -0.089 0.000 1.074 299 H CA -0.026 55.981 56.048 -0.067 0.000 1.406 299 H CB 0.626 30.354 29.762 -0.058 0.000 1.442 299 H HN 0.666 nan 8.280 nan 0.000 0.482 300 I N 1.710 121.931 120.570 -0.581 0.000 3.002 300 I HA 0.458 4.628 4.170 0.001 0.000 0.310 300 I C -1.289 174.693 176.117 -0.225 0.000 1.087 300 I CA -0.998 60.099 61.300 -0.339 0.000 1.017 300 I CB 2.627 40.373 38.000 -0.425 0.000 1.226 300 I HN 0.667 nan 8.210 nan 0.000 0.443 301 H N 2.867 121.848 119.070 -0.149 0.000 3.018 301 H HA 0.231 4.787 4.556 0.001 0.000 0.334 301 H C -1.751 173.586 175.328 0.015 0.000 0.983 301 H CA -0.652 55.360 56.048 -0.061 0.000 1.363 301 H CB 1.787 31.546 29.762 -0.005 0.000 1.668 301 H HN 0.809 nan 8.280 nan 0.000 0.513 302 D N 5.725 126.102 120.400 -0.038 0.000 2.325 302 D HA 0.034 4.674 4.640 0.001 0.000 0.251 302 D C 1.113 177.257 176.300 -0.261 0.000 1.196 302 D CA -0.189 53.780 54.000 -0.051 0.000 0.866 302 D CB 1.052 41.938 40.800 0.143 0.000 1.101 302 D HN 0.666 nan 8.370 nan 0.000 0.476 303 L N 3.998 125.076 121.223 -0.243 0.000 2.291 303 L HA -0.112 4.229 4.340 0.001 0.000 0.214 303 L C 1.853 178.673 176.870 -0.083 0.000 1.120 303 L CA 0.224 54.921 54.840 -0.238 0.000 0.799 303 L CB -0.084 41.923 42.059 -0.088 0.000 0.925 303 L HN 0.511 nan 8.230 nan 0.000 0.446 304 I N -0.462 120.093 120.570 -0.024 0.000 2.296 304 I HA -0.136 4.034 4.170 0.001 0.000 0.242 304 I C 2.718 178.850 176.117 0.025 0.000 1.087 304 I CA 1.610 62.918 61.300 0.013 0.000 1.393 304 I CB -1.240 36.780 38.000 0.033 0.000 1.093 304 I HN 0.256 nan 8.210 nan 0.000 0.421 305 S N 0.337 116.062 115.700 0.041 0.000 2.470 305 S HA 0.138 4.609 4.470 0.001 0.000 0.225 305 S C 1.848 176.483 174.600 0.057 0.000 1.006 305 S CA 0.682 58.917 58.200 0.059 0.000 0.934 305 S CB -0.033 63.223 63.200 0.094 0.000 0.778 305 S HN 0.585 nan 8.310 nan 0.000 0.517 306 G N 1.213 110.047 108.800 0.056 0.000 2.184 306 G HA2 -0.219 3.741 3.960 0.001 0.000 0.264 306 G HA3 -0.219 3.741 3.960 0.001 0.000 0.264 306 G C -0.363 174.626 174.900 0.148 0.000 0.975 306 G CA 0.247 45.436 45.100 0.148 0.000 0.642 306 G HN 0.564 nan 8.290 nan 0.000 0.536 307 D N 0.354 120.786 120.400 0.053 0.000 2.362 307 D HA 0.491 5.131 4.640 0.001 0.000 0.242 307 D C 1.009 177.186 176.300 -0.204 0.000 1.132 307 D CA 0.222 54.131 54.000 -0.151 0.000 0.907 307 D CB 0.541 41.186 40.800 -0.258 0.000 1.195 307 D HN 0.406 nan 8.370 nan 0.000 0.429 308 R N 0.991 121.201 120.500 -0.483 0.000 2.637 308 R HA 0.623 4.963 4.340 0.001 0.000 0.291 308 R C -0.731 175.093 176.300 -0.793 0.000 0.963 308 R CA -0.672 55.169 56.100 -0.432 0.000 0.901 308 R CB 1.315 31.513 30.300 -0.170 0.000 1.160 308 R HN 0.301 nan 8.270 nan 0.000 0.457 309 F N -0.176 119.613 119.950 -0.269 0.000 2.664 309 F HA 0.349 4.877 4.527 0.001 0.000 0.317 309 F C 0.037 175.674 175.800 -0.272 0.000 1.108 309 F CA -1.114 56.764 58.000 -0.203 0.000 0.957 309 F CB 1.686 40.588 39.000 -0.164 0.000 1.365 309 F HN 0.123 nan 8.300 nan 0.000 0.475 310 E N 2.344 122.608 120.200 0.108 0.000 2.114 310 E HA 0.370 4.721 4.350 0.001 0.000 0.266 310 E C -0.830 175.805 176.600 0.059 0.000 0.896 310 E CA -0.419 56.021 56.400 0.066 0.000 0.750 310 E CB 1.690 31.455 29.700 0.108 0.000 1.121 310 E HN 0.294 nan 8.360 nan 0.000 0.413 311 I N 2.368 122.944 120.570 0.010 0.000 2.440 311 I HA 0.283 4.454 4.170 0.001 0.000 0.294 311 I C 0.444 176.656 176.117 0.158 0.000 0.995 311 I CA -0.834 60.498 61.300 0.054 0.000 1.306 311 I CB 0.899 38.882 38.000 -0.029 0.000 1.407 311 I HN 0.182 nan 8.210 nan 0.000 0.501 312 K N 4.332 124.827 120.400 0.159 0.000 2.259 312 K HA 0.863 5.183 4.320 0.001 0.000 0.252 312 K C -1.252 175.406 176.600 0.098 0.000 0.936 312 K CA -0.503 55.889 56.287 0.175 0.000 0.810 312 K CB 1.930 34.502 32.500 0.119 0.000 1.143 312 K HN 0.806 nan 8.250 nan 0.000 0.427 313 A N 2.361 125.159 122.820 -0.035 0.000 2.594 313 A HA 0.425 4.745 4.320 0.001 0.000 0.291 313 A C -0.489 176.962 177.584 -0.222 0.000 1.105 313 A CA -0.591 51.300 52.037 -0.243 0.000 0.694 313 A CB 0.917 19.563 19.000 -0.591 0.000 1.291 313 A HN 0.727 nan 8.150 nan 0.000 0.410 314 D N -0.485 119.828 120.400 -0.145 0.000 2.162 314 D HA 0.096 4.736 4.640 0.001 0.000 0.203 314 D C 0.363 176.538 176.300 -0.207 0.000 0.967 314 D CA 1.659 55.638 54.000 -0.036 0.000 0.840 314 D CB 0.167 41.018 40.800 0.084 0.000 0.972 314 D HN 0.222 nan 8.370 nan 0.000 0.482 315 V N 0.508 120.141 119.914 -0.469 0.000 2.709 315 V HA 0.303 4.423 4.120 0.001 0.000 0.308 315 V C -1.283 174.509 176.094 -0.502 0.000 1.062 315 V CA -0.879 61.137 62.300 -0.473 0.000 0.901 315 V CB 1.954 33.364 31.823 -0.688 0.000 1.003 315 V HN -0.060 nan 8.190 nan 0.000 0.425 316 Y N 2.551 122.826 120.300 -0.043 0.000 2.350 316 Y HA 0.711 5.261 4.550 0.001 0.000 0.338 316 Y C -0.206 175.651 175.900 -0.071 0.000 0.961 316 Y CA -0.939 57.129 58.100 -0.054 0.000 1.100 316 Y CB 2.227 40.669 38.460 -0.031 0.000 1.179 316 Y HN 0.352 nan 8.280 nan 0.000 0.454 317 V N 5.281 125.150 119.914 -0.075 0.000 2.444 317 V HA 0.399 4.520 4.120 0.001 0.000 0.294 317 V C -0.475 175.494 176.094 -0.209 0.000 1.022 317 V CA -0.928 61.218 62.300 -0.256 0.000 0.850 317 V CB 1.739 33.169 31.823 -0.655 0.000 0.992 317 V HN 0.601 nan 8.190 nan 0.000 0.426 318 L N 5.125 126.228 121.223 -0.200 0.000 2.262 318 L HA 0.553 4.893 4.340 0.001 0.000 0.288 318 L C 0.332 177.114 176.870 -0.147 0.000 1.035 318 L CA -0.140 54.604 54.840 -0.160 0.000 0.820 318 L CB 1.529 43.472 42.059 -0.193 0.000 1.204 318 L HN 0.838 nan 8.230 nan 0.000 0.424 319 T N -1.421 113.081 114.554 -0.086 0.000 3.630 319 T HA 0.381 4.732 4.350 0.001 0.000 0.238 319 T C 0.558 175.272 174.700 0.024 0.000 1.195 319 T CA -0.223 61.868 62.100 -0.015 0.000 1.433 319 T CB 1.013 69.880 68.868 -0.001 0.000 0.940 319 T HN 0.531 nan 8.240 nan 0.000 0.641 320 A N 0.824 123.666 122.820 0.038 0.000 2.379 320 A HA 0.785 5.105 4.320 0.001 0.000 0.236 320 A C 1.359 179.022 177.584 0.131 0.000 1.272 320 A CA 0.022 52.101 52.037 0.070 0.000 0.886 320 A CB -0.784 18.252 19.000 0.059 0.000 0.962 320 A HN 1.750 nan 8.150 nan 0.000 0.504 321 G N -2.342 106.534 108.800 0.127 0.000 2.699 321 G HA2 0.242 4.203 3.960 0.001 0.000 0.686 321 G HA3 0.242 4.203 3.960 0.001 0.000 0.686 321 G C 0.778 175.777 174.900 0.165 0.000 1.301 321 G CA -0.325 44.858 45.100 0.140 0.000 0.816 321 G HN 1.301 nan 8.290 nan 0.000 0.595 322 A N -0.185 122.719 122.820 0.140 0.000 1.902 322 A HA 0.191 4.512 4.320 0.001 0.000 0.217 322 A C 2.704 180.371 177.584 0.138 0.000 1.181 322 A CA 3.209 55.324 52.037 0.129 0.000 0.623 322 A CB -0.448 18.600 19.000 0.079 0.000 0.818 322 A HN 1.630 nan 8.150 nan 0.000 0.443 323 V N -0.725 119.226 119.914 0.062 0.000 2.323 323 V HA -0.244 3.876 4.120 0.001 0.000 0.244 323 V C 2.256 178.336 176.094 -0.023 0.000 1.041 323 V CA 2.317 64.607 62.300 -0.016 0.000 1.025 323 V CB -1.068 30.631 31.823 -0.207 0.000 0.656 323 V HN 0.745 nan 8.190 nan 0.000 0.451 324 H N -0.505 118.635 119.070 0.116 0.000 2.482 324 H HA 0.001 4.557 4.556 0.001 0.000 0.286 324 H C 2.296 177.619 175.328 -0.007 0.000 1.017 324 H CA 0.797 56.871 56.048 0.042 0.000 1.322 324 H CB 0.095 29.865 29.762 0.014 0.000 1.426 324 H HN 0.321 nan 8.280 nan 0.000 0.546 325 N N -0.024 118.750 118.700 0.124 0.000 2.069 325 N HA -0.133 4.607 4.740 0.001 0.000 0.191 325 N C 1.763 177.258 175.510 -0.026 0.000 1.031 325 N CA 1.871 54.930 53.050 0.015 0.000 0.852 325 N CB -0.536 37.956 38.487 0.009 0.000 1.018 325 N HN 0.309 nan 8.380 nan 0.000 0.423 326 T N 0.722 115.326 114.554 0.083 0.000 2.746 326 T HA -0.155 4.195 4.350 0.001 0.000 0.267 326 T C 1.853 176.424 174.700 -0.214 0.000 1.039 326 T CA 1.074 63.218 62.100 0.072 0.000 1.142 326 T CB -0.174 68.873 68.868 0.298 0.000 0.866 326 T HN 0.355 nan 8.240 nan 0.000 0.444 327 Q N 0.056 119.644 119.800 -0.354 0.000 2.079 327 Q HA -0.088 4.252 4.340 0.001 0.000 0.200 327 Q C 2.292 178.038 176.000 -0.423 0.000 0.974 327 Q CA 0.982 56.282 55.803 -0.839 0.000 0.840 327 Q CB -0.210 28.308 28.738 -0.367 0.000 0.898 327 Q HN 0.329 nan 8.270 nan 0.000 0.430 328 L N 0.704 121.806 121.223 -0.202 0.000 2.046 328 L HA -0.160 4.181 4.340 0.001 0.000 0.208 328 L C 2.002 178.791 176.870 -0.135 0.000 1.077 328 L CA 1.609 56.364 54.840 -0.140 0.000 0.747 328 L CB -0.656 41.342 42.059 -0.103 0.000 0.896 328 L HN 0.300 nan 8.230 nan 0.000 0.432 329 L N -1.970 119.152 121.223 -0.168 0.000 2.027 329 L HA -0.185 4.156 4.340 0.001 0.000 0.206 329 L C 2.410 179.303 176.870 0.039 0.000 1.074 329 L CA 0.936 55.697 54.840 -0.130 0.000 0.745 329 L CB -0.644 41.226 42.059 -0.316 0.000 0.898 329 L HN 0.060 nan 8.230 nan 0.000 0.433 330 V N -0.077 119.791 119.914 -0.076 0.000 2.407 330 V HA -0.263 3.857 4.120 0.001 0.000 0.248 330 V C 2.041 178.109 176.094 -0.043 0.000 1.055 330 V CA 1.892 64.172 62.300 -0.033 0.000 1.049 330 V CB -0.742 31.013 31.823 -0.113 0.000 0.662 330 V HN 0.476 nan 8.190 nan 0.000 0.455 331 N N 0.001 118.636 118.700 -0.108 0.000 2.520 331 N HA -0.093 4.647 4.740 0.001 0.000 0.185 331 N C 1.458 176.948 175.510 -0.033 0.000 1.068 331 N CA 1.061 54.069 53.050 -0.070 0.000 0.911 331 N CB -0.013 38.421 38.487 -0.089 0.000 0.961 331 N HN 0.410 nan 8.380 nan 0.000 0.446 332 S N -1.674 114.033 115.700 0.011 0.000 2.554 332 S HA 0.335 4.805 4.470 0.001 0.000 0.226 332 S C 1.015 175.592 174.600 -0.038 0.000 0.980 332 S CA 0.161 58.374 58.200 0.021 0.000 0.939 332 S CB 0.774 64.042 63.200 0.113 0.000 0.832 332 S HN 0.482 nan 8.310 nan 0.000 0.486 333 G N 1.273 110.055 108.800 -0.030 0.000 2.141 333 G HA2 -0.237 3.724 3.960 0.001 0.000 0.231 333 G HA3 -0.237 3.724 3.960 0.001 0.000 0.231 333 G C -0.073 174.732 174.900 -0.159 0.000 0.984 333 G CA -0.460 44.580 45.100 -0.100 0.000 0.660 333 G HN 0.413 nan 8.290 nan 0.000 0.525 334 F N 0.646 120.567 119.950 -0.048 0.000 2.380 334 F HA 0.544 5.072 4.527 0.001 0.000 0.325 334 F C 1.785 177.592 175.800 0.012 0.000 1.136 334 F CA 0.913 58.898 58.000 -0.026 0.000 1.171 334 F CB 0.511 39.466 39.000 -0.074 0.000 1.230 334 F HN 0.658 nan 8.300 nan 0.000 0.554 335 G N 1.428 110.374 108.800 0.244 0.000 2.652 335 G HA2 -0.288 3.673 3.960 0.001 0.000 0.318 335 G HA3 -0.288 3.673 3.960 0.001 0.000 0.318 335 G C -0.571 174.402 174.900 0.123 0.000 1.295 335 G CA 0.634 45.838 45.100 0.174 0.000 0.999 335 G HN 0.973 nan 8.290 nan 0.000 0.548 336 Q N -1.476 118.400 119.800 0.127 0.000 2.353 336 Q HA 0.662 5.002 4.340 0.001 0.000 0.275 336 Q C -1.487 174.593 176.000 0.134 0.000 1.029 336 Q CA -1.061 54.797 55.803 0.093 0.000 0.848 336 Q CB 1.882 30.654 28.738 0.056 0.000 1.390 336 Q HN 0.949 nan 8.270 nan 0.000 0.401 337 L N 2.477 123.768 121.223 0.113 0.000 2.379 337 L HA 0.885 5.225 4.340 0.001 0.000 0.269 337 L C 0.347 177.297 176.870 0.133 0.000 1.084 337 L CA 1.758 56.697 54.840 0.164 0.000 0.802 337 L CB 1.383 43.514 42.059 0.121 0.000 1.175 337 L HN 0.950 nan 8.230 nan 0.000 0.448 338 G N 3.016 111.946 108.800 0.218 0.000 2.685 338 G HA2 -0.194 3.767 3.960 0.001 0.000 0.387 338 G HA3 -0.194 3.767 3.960 0.001 0.000 0.387 338 G C -0.628 174.121 174.900 -0.251 0.000 1.324 338 G CA -0.257 44.909 45.100 0.111 0.000 0.878 338 G HN 0.875 nan 8.290 nan 0.000 0.527 339 R N 0.759 120.877 120.500 -0.637 0.000 2.489 339 R HA 0.401 4.742 4.340 0.001 0.000 0.287 339 R C -1.865 173.978 176.300 -0.761 0.000 1.053 339 R CA -0.825 54.451 56.100 -1.374 0.000 1.036 339 R CB -0.004 29.741 30.300 -0.925 0.000 0.966 339 R HN 0.354 nan 8.270 nan 0.000 0.432 340 P HA -0.112 nan 4.420 nan 0.000 0.264 340 P C -1.273 175.869 177.300 -0.263 0.000 1.179 340 P CA 0.548 63.409 63.100 -0.398 0.000 0.763 340 P CB 0.355 31.844 31.700 -0.353 0.000 0.806 341 N N 2.758 121.364 118.700 -0.158 0.000 2.594 341 N HA 0.185 4.926 4.740 0.001 0.000 0.280 341 N C -2.149 173.320 175.510 -0.068 0.000 1.156 341 N CA -1.710 51.274 53.050 -0.110 0.000 0.831 341 N CB 1.425 39.854 38.487 -0.097 0.000 1.379 341 N HN 0.110 nan 8.380 nan 0.000 0.536 342 P HA 0.052 nan 4.420 nan 0.000 0.227 342 P C 1.095 178.379 177.300 -0.026 0.000 1.161 342 P CA 0.422 63.500 63.100 -0.036 0.000 0.788 342 P CB 0.253 31.932 31.700 -0.035 0.000 0.822 343 A N 0.376 123.178 122.820 -0.031 0.000 2.024 343 A HA -0.136 4.184 4.320 0.001 0.000 0.220 343 A C 1.120 178.692 177.584 -0.020 0.000 1.164 343 A CA 1.188 53.211 52.037 -0.024 0.000 0.643 343 A CB -0.945 18.039 19.000 -0.027 0.000 0.806 343 A HN 0.304 nan 8.150 nan 0.000 0.451 344 N N 0.323 119.009 118.700 -0.023 0.000 2.750 344 N HA 0.268 5.008 4.740 0.001 0.000 0.253 344 N C -3.220 172.283 175.510 -0.012 0.000 1.408 344 N CA -1.141 51.900 53.050 -0.016 0.000 0.780 344 N CB 1.424 39.899 38.487 -0.020 0.000 1.191 344 N HN 0.137 nan 8.380 nan 0.000 0.511 345 P HA 0.235 nan 4.420 nan 0.000 0.274 345 P C -2.407 174.904 177.300 0.018 0.000 1.231 345 P CA -0.952 62.154 63.100 0.009 0.000 0.790 345 P CB -0.032 31.678 31.700 0.017 0.000 0.951 346 P HA 0.131 nan 4.420 nan 0.000 0.275 346 P C 0.749 178.076 177.300 0.044 0.000 1.228 346 P CA -0.104 63.020 63.100 0.041 0.000 0.786 346 P CB 0.983 32.721 31.700 0.065 0.000 0.927 347 E N 0.824 121.043 120.200 0.033 0.000 2.077 347 E HA -0.075 4.275 4.350 0.001 0.000 0.193 347 E C 0.113 176.750 176.600 0.062 0.000 0.989 347 E CA 0.882 57.302 56.400 0.032 0.000 0.800 347 E CB 0.047 29.754 29.700 0.011 0.000 0.746 347 E HN 0.422 nan 8.360 nan 0.000 0.452 348 L N 1.269 122.539 121.223 0.078 0.000 2.307 348 L HA 0.266 4.606 4.340 0.001 0.000 0.284 348 L C 0.080 177.079 176.870 0.215 0.000 1.023 348 L CA -0.657 54.275 54.840 0.153 0.000 0.810 348 L CB 1.593 43.717 42.059 0.109 0.000 1.231 348 L HN 0.132 nan 8.230 nan 0.000 0.423 349 L N 4.174 125.543 121.223 0.244 0.000 3.826 349 L HA -0.186 4.154 4.340 0.001 0.000 0.566 349 L C -1.417 175.562 176.870 0.182 0.000 1.217 349 L CA -0.554 54.424 54.840 0.229 0.000 0.823 349 L CB -0.855 41.357 42.059 0.255 0.000 1.381 349 L HN 0.596 nan 8.230 nan 0.000 0.825 350 P HA -0.127 nan 4.420 nan 0.000 0.223 350 P C 1.206 178.600 177.300 0.156 0.000 1.144 350 P CA 1.098 64.274 63.100 0.127 0.000 0.783 350 P CB 0.341 32.098 31.700 0.096 0.000 0.771 351 S N -0.934 114.880 115.700 0.191 0.000 2.535 351 S HA 0.090 4.560 4.470 0.001 0.000 0.214 351 S C 0.751 175.506 174.600 0.258 0.000 0.980 351 S CA -0.454 57.901 58.200 0.258 0.000 0.907 351 S CB -0.533 62.821 63.200 0.256 0.000 0.790 351 S HN 0.063 nan 8.310 nan 0.000 0.510 352 L N 2.463 123.816 121.223 0.217 0.000 2.513 352 L HA 0.392 4.733 4.340 0.001 0.000 0.272 352 L C 1.186 178.193 176.870 0.228 0.000 1.187 352 L CA 1.201 56.171 54.840 0.216 0.000 0.895 352 L CB -0.353 41.819 42.059 0.188 0.000 1.147 352 L HN 0.352 nan 8.230 nan 0.000 0.483 353 G N 2.376 111.320 108.800 0.240 0.000 2.184 353 G HA2 -0.276 3.685 3.960 0.001 0.000 0.264 353 G HA3 -0.276 3.685 3.960 0.001 0.000 0.264 353 G C 0.476 175.496 174.900 0.201 0.000 0.975 353 G CA 0.382 45.622 45.100 0.235 0.000 0.642 353 G HN 0.814 nan 8.290 nan 0.000 0.536 354 S N -1.550 114.271 115.700 0.202 0.000 2.718 354 S HA 0.641 5.112 4.470 0.001 0.000 0.300 354 S C 0.416 175.155 174.600 0.233 0.000 1.117 354 S CA 0.097 58.357 58.200 0.099 0.000 1.002 354 S CB 0.769 63.941 63.200 -0.047 0.000 1.092 354 S HN 0.890 nan 8.310 nan 0.000 0.542 355 Y N -0.778 119.592 120.300 0.117 0.000 3.929 355 Y HA -0.201 4.349 4.550 0.001 0.000 0.225 355 Y C 0.523 176.506 175.900 0.138 0.000 1.200 355 Y CA 0.194 58.361 58.100 0.112 0.000 1.791 355 Y CB -1.976 36.545 38.460 0.101 0.000 1.561 355 Y HN 0.593 nan 8.280 nan 0.000 0.657 356 I N 0.023 120.746 120.570 0.254 0.000 2.634 356 I HA 0.459 4.629 4.170 0.001 0.000 0.284 356 I C 0.639 176.922 176.117 0.277 0.000 1.124 356 I CA 0.465 61.915 61.300 0.250 0.000 1.417 356 I CB 1.275 39.420 38.000 0.242 0.000 1.396 356 I HN 0.204 nan 8.210 nan 0.000 0.571 357 T N 1.994 116.671 114.554 0.205 0.000 2.893 357 T HA 0.684 5.034 4.350 0.001 0.000 0.291 357 T C -0.686 174.043 174.700 0.049 0.000 1.028 357 T CA -0.703 61.500 62.100 0.172 0.000 0.995 357 T CB 2.122 71.044 68.868 0.090 0.000 1.051 357 T HN 0.803 nan 8.240 nan 0.000 0.470 358 E N 1.018 121.241 120.200 0.038 0.000 2.304 358 E HA 0.333 4.683 4.350 0.001 0.000 0.277 358 E C -1.060 175.662 176.600 0.203 0.000 0.898 358 E CA -0.491 55.903 56.400 -0.010 0.000 0.764 358 E CB 1.995 31.510 29.700 -0.308 0.000 1.216 358 E HN 0.707 nan 8.360 nan 0.000 0.419 359 Q N 1.131 121.039 119.800 0.180 0.000 2.364 359 Q HA 0.325 4.666 4.340 0.001 0.000 0.267 359 Q C -0.287 175.915 176.000 0.337 0.000 0.999 359 Q CA 0.171 56.135 55.803 0.268 0.000 0.886 359 Q CB 0.850 29.786 28.738 0.330 0.000 1.243 359 Q HN 0.441 nan 8.270 nan 0.000 0.415 360 S N 1.306 117.137 115.700 0.218 0.000 2.576 360 S HA 0.348 4.818 4.470 0.001 0.000 0.276 360 S C -0.769 173.903 174.600 0.120 0.000 1.339 360 S CA -0.452 57.767 58.200 0.032 0.000 1.039 360 S CB 0.372 63.511 63.200 -0.101 0.000 0.902 360 S HN 0.378 nan 8.310 nan 0.000 0.516 361 L N 4.700 125.966 121.223 0.071 0.000 2.439 361 L HA 0.661 5.001 4.340 0.001 0.000 0.270 361 L C -0.824 175.951 176.870 -0.158 0.000 0.972 361 L CA -0.654 54.140 54.840 -0.077 0.000 0.836 361 L CB 1.542 43.546 42.059 -0.092 0.000 1.255 361 L HN 0.446 nan 8.230 nan 0.000 0.404 362 V N 2.042 121.774 119.914 -0.303 0.000 2.630 362 V HA 0.758 4.878 4.120 0.001 0.000 0.305 362 V C -0.889 175.083 176.094 -0.203 0.000 1.046 362 V CA -0.629 61.408 62.300 -0.438 0.000 0.934 362 V CB 1.623 32.996 31.823 -0.750 0.000 1.003 362 V HN 0.802 nan 8.190 nan 0.000 0.451 363 F N 4.531 124.276 119.950 -0.341 0.000 2.608 363 F HA 0.849 5.376 4.527 0.001 0.000 0.309 363 F C -0.368 175.297 175.800 -0.225 0.000 1.103 363 F CA -0.246 57.627 58.000 -0.212 0.000 0.954 363 F CB 1.507 40.422 39.000 -0.142 0.000 1.267 363 F HN 1.195 nan 8.300 nan 0.000 0.444 364 C N 2.693 121.332 119.300 -1.102 0.000 3.332 364 C HA 0.802 5.262 4.460 0.001 0.000 0.329 364 C C -1.698 172.696 174.990 -0.993 0.000 1.434 364 C CA -0.707 57.681 59.018 -1.051 0.000 1.314 364 C CB 1.741 29.123 27.740 -0.596 0.000 1.664 364 C HN 0.943 nan 8.230 nan 0.000 0.457 365 Q N 0.598 120.088 119.800 -0.517 0.000 2.387 365 Q HA 0.755 5.095 4.340 0.001 0.000 0.273 365 Q C -0.526 175.505 176.000 0.051 0.000 1.089 365 Q CA -0.206 55.512 55.803 -0.141 0.000 0.824 365 Q CB 2.683 31.339 28.738 -0.138 0.000 1.367 365 Q HN 0.948 nan 8.270 nan 0.000 0.443 366 T N -2.598 112.057 114.554 0.169 0.000 2.930 366 T HA 0.705 5.055 4.350 0.001 0.000 0.290 366 T C -0.608 174.148 174.700 0.093 0.000 1.052 366 T CA -0.714 61.454 62.100 0.114 0.000 1.017 366 T CB 1.295 70.237 68.868 0.123 0.000 1.137 366 T HN 0.259 nan 8.240 nan 0.000 0.511 367 V N 2.602 122.539 119.914 0.037 0.000 2.378 367 V HA 0.403 4.524 4.120 0.001 0.000 0.288 367 V C 0.282 176.383 176.094 0.011 0.000 1.016 367 V CA -0.893 61.420 62.300 0.022 0.000 0.840 367 V CB 1.086 32.913 31.823 0.006 0.000 0.994 367 V HN 1.029 nan 8.190 nan 0.000 0.431 368 M N 4.603 124.218 119.600 0.025 0.000 2.235 368 M HA 0.057 4.537 4.480 0.001 0.000 0.336 368 M C 0.889 177.191 176.300 0.003 0.000 1.146 368 M CA 0.787 56.102 55.300 0.024 0.000 1.018 368 M CB 0.587 33.200 32.600 0.023 0.000 1.694 368 M HN 0.912 nan 8.290 nan 0.000 0.451 369 S N 2.260 117.959 115.700 -0.001 0.000 2.572 369 S HA 0.126 4.596 4.470 0.001 0.000 0.279 369 S C 1.028 175.626 174.600 -0.003 0.000 1.341 369 S CA -0.227 57.964 58.200 -0.015 0.000 1.043 369 S CB 0.625 63.811 63.200 -0.023 0.000 0.887 369 S HN 0.802 nan 8.310 nan 0.000 0.516 370 T N 2.080 116.629 114.554 -0.008 0.000 2.653 370 T HA -0.188 4.162 4.350 0.001 0.000 0.268 370 T C 1.599 176.303 174.700 0.007 0.000 1.035 370 T CA 2.056 64.156 62.100 0.000 0.000 1.154 370 T CB -0.597 68.268 68.868 -0.004 0.000 0.862 370 T HN 0.790 nan 8.240 nan 0.000 0.441 371 E N 0.539 120.740 120.200 0.001 0.000 2.049 371 E HA -0.122 4.228 4.350 0.001 0.000 0.198 371 E C 2.292 178.906 176.600 0.023 0.000 1.007 371 E CA 1.099 57.502 56.400 0.006 0.000 0.809 371 E CB -0.328 29.369 29.700 -0.005 0.000 0.749 371 E HN 0.413 nan 8.360 nan 0.000 0.450 372 L N 0.666 121.904 121.223 0.025 0.000 2.046 372 L HA -0.201 4.140 4.340 0.001 0.000 0.208 372 L C 2.410 179.315 176.870 0.059 0.000 1.077 372 L CA 0.474 55.342 54.840 0.047 0.000 0.747 372 L CB -0.262 41.824 42.059 0.046 0.000 0.896 372 L HN 0.223 nan 8.230 nan 0.000 0.432 373 I N -0.064 120.529 120.570 0.038 0.000 2.179 373 I HA -0.283 3.888 4.170 0.001 0.000 0.242 373 I C 2.163 178.309 176.117 0.047 0.000 1.088 373 I CA 1.494 62.814 61.300 0.033 0.000 1.357 373 I CB -1.217 36.794 38.000 0.018 0.000 1.051 373 I HN 0.267 nan 8.210 nan 0.000 0.409 374 D N 0.698 121.124 120.400 0.044 0.000 2.178 374 D HA -0.137 4.503 4.640 0.001 0.000 0.201 374 D C 2.365 178.709 176.300 0.073 0.000 0.980 374 D CA 1.618 55.648 54.000 0.050 0.000 0.842 374 D CB -0.144 40.677 40.800 0.035 0.000 0.948 374 D HN 0.390 nan 8.370 nan 0.000 0.472 375 S N -0.027 115.725 115.700 0.088 0.000 2.419 375 S HA -0.110 4.360 4.470 0.001 0.000 0.233 375 S C 2.146 176.882 174.600 0.228 0.000 1.016 375 S CA 0.681 58.962 58.200 0.136 0.000 0.974 375 S CB -0.533 62.740 63.200 0.121 0.000 0.786 375 S HN 0.094 nan 8.310 nan 0.000 0.492 376 V N 2.731 122.753 119.914 0.180 0.000 2.469 376 V HA -0.168 3.952 4.120 0.001 0.000 0.251 376 V C 2.054 178.250 176.094 0.171 0.000 1.064 376 V CA 2.125 64.546 62.300 0.202 0.000 1.066 376 V CB -0.912 30.964 31.823 0.089 0.000 0.667 376 V HN 0.827 nan 8.190 nan 0.000 0.461 377 K N 0.185 120.663 120.400 0.129 0.000 2.514 377 K HA 0.224 4.545 4.320 0.001 0.000 0.207 377 K C 1.526 178.186 176.600 0.100 0.000 1.035 377 K CA 0.639 56.989 56.287 0.105 0.000 1.113 377 K CB 0.298 32.845 32.500 0.078 0.000 0.846 377 K HN 0.361 nan 8.250 nan 0.000 0.491 378 S N 0.702 116.480 115.700 0.131 0.000 2.419 378 S HA -0.161 4.310 4.470 0.001 0.000 0.233 378 S C 0.982 175.608 174.600 0.042 0.000 1.016 378 S CA 1.211 59.456 58.200 0.076 0.000 0.974 378 S CB -0.239 62.995 63.200 0.057 0.000 0.786 378 S HN 0.307 nan 8.310 nan 0.000 0.492 379 D N 0.875 121.312 120.400 0.063 0.000 2.339 379 D HA 0.214 4.854 4.640 0.001 0.000 0.217 379 D C 0.168 176.513 176.300 0.075 0.000 1.050 379 D CA 0.288 54.310 54.000 0.036 0.000 0.856 379 D CB 0.000 40.802 40.800 0.004 0.000 0.922 379 D HN 0.397 nan 8.370 nan 0.000 0.518 380 M N 0.505 120.149 119.600 0.072 0.000 2.277 380 M HA 0.233 4.713 4.480 0.001 0.000 0.350 380 M C 0.243 176.572 176.300 0.049 0.000 1.180 380 M CA -0.041 55.309 55.300 0.083 0.000 1.103 380 M CB 1.191 33.830 32.600 0.066 0.000 1.577 380 M HN -0.335 nan 8.290 nan 0.000 0.459 381 T N 4.163 118.739 114.554 0.037 0.000 2.767 381 T HA 0.679 5.029 4.350 0.001 0.000 0.284 381 T C 0.053 174.729 174.700 -0.039 0.000 0.973 381 T CA -0.355 61.745 62.100 0.001 0.000 0.996 381 T CB 0.679 69.544 68.868 -0.005 0.000 0.927 381 T HN 0.435 nan 8.240 nan 0.000 0.456 382 I N 3.402 123.945 120.570 -0.045 0.000 2.406 382 I HA 0.488 4.659 4.170 0.001 0.000 0.290 382 I C 0.442 176.509 176.117 -0.084 0.000 0.999 382 I CA -0.688 60.551 61.300 -0.103 0.000 1.124 382 I CB 1.371 39.344 38.000 -0.046 0.000 1.289 382 I HN 0.306 nan 8.210 nan 0.000 0.441 383 R N 3.296 123.705 120.500 -0.152 0.000 2.888 383 R HA 0.773 5.114 4.340 0.001 0.000 0.266 383 R C 0.068 176.357 176.300 -0.018 0.000 1.020 383 R CA -0.383 55.675 56.100 -0.070 0.000 0.963 383 R CB 2.102 32.360 30.300 -0.070 0.000 1.197 383 R HN 0.846 nan 8.270 nan 0.000 0.481 384 G N 0.492 109.327 108.800 0.058 0.000 2.645 384 G HA2 -0.264 3.697 3.960 0.001 0.000 0.239 384 G HA3 -0.264 3.697 3.960 0.001 0.000 0.239 384 G C -0.944 174.085 174.900 0.214 0.000 1.331 384 G CA -0.255 44.922 45.100 0.128 0.000 0.890 384 G HN 0.579 nan 8.290 nan 0.000 0.572 385 T N 1.442 116.123 114.554 0.211 0.000 2.861 385 T HA 0.646 4.997 4.350 0.001 0.000 0.287 385 T C -2.782 171.897 174.700 -0.036 0.000 1.003 385 T CA -1.008 61.169 62.100 0.128 0.000 0.977 385 T CB 2.314 71.206 68.868 0.040 0.000 0.996 385 T HN 0.544 nan 8.240 nan 0.000 0.448 386 P HA 0.142 nan 4.420 nan 0.000 0.263 386 P C 1.133 178.206 177.300 -0.379 0.000 1.168 386 P CA 1.369 63.973 63.100 -0.827 0.000 0.759 386 P CB 0.080 31.445 31.700 -0.560 0.000 0.782 387 G N 1.163 109.756 108.800 -0.345 0.000 2.143 387 G HA2 -0.228 3.732 3.960 0.001 0.000 0.248 387 G HA3 -0.228 3.732 3.960 0.001 0.000 0.248 387 G C -0.155 174.700 174.900 -0.075 0.000 0.991 387 G CA -0.118 44.889 45.100 -0.154 0.000 0.689 387 G HN 0.572 nan 8.290 nan 0.000 0.522 388 E N -0.553 119.622 120.200 -0.042 0.000 2.359 388 E HA 0.536 4.886 4.350 0.001 0.000 0.266 388 E C 1.518 178.152 176.600 0.056 0.000 0.920 388 E CA -0.884 55.524 56.400 0.013 0.000 0.788 388 E CB 0.864 30.578 29.700 0.023 0.000 1.279 388 E HN 0.000 nan 8.360 nan 0.000 0.438 389 L N -0.509 120.738 121.223 0.040 0.000 2.187 389 L HA -0.137 4.204 4.340 0.001 0.000 0.213 389 L C 1.940 178.844 176.870 0.056 0.000 1.100 389 L CA 2.065 56.929 54.840 0.041 0.000 0.765 389 L CB -2.620 39.454 42.059 0.024 0.000 0.904 389 L HN 0.670 nan 8.230 nan 0.000 0.437 390 T N -4.413 110.182 114.554 0.068 0.000 3.067 390 T HA -0.082 4.268 4.350 0.001 0.000 0.261 390 T C 0.833 175.595 174.700 0.104 0.000 1.110 390 T CA -0.315 61.826 62.100 0.068 0.000 1.113 390 T CB -0.659 68.243 68.868 0.057 0.000 0.917 390 T HN 0.186 nan 8.240 nan 0.000 0.499 391 Y N 3.243 123.542 120.300 -0.003 0.000 2.729 391 Y HA 0.378 4.928 4.550 0.001 0.000 0.331 391 Y C 0.321 176.221 175.900 -0.000 0.000 1.208 391 Y CA -0.538 57.561 58.100 -0.002 0.000 1.521 391 Y CB 0.120 38.577 38.460 -0.005 0.000 1.233 391 Y HN 0.241 nan 8.280 nan 0.000 0.539 392 S N 5.383 120.866 115.700 -0.361 0.000 2.532 392 S HA 0.769 5.239 4.470 0.001 0.000 0.299 392 S C -1.823 172.501 174.600 -0.459 0.000 1.105 392 S CA -0.699 57.312 58.200 -0.314 0.000 1.018 392 S CB 0.970 64.082 63.200 -0.146 0.000 1.021 392 S HN 0.444 nan 8.310 nan 0.000 0.483 393 V N 4.515 124.230 119.914 -0.332 0.000 2.444 393 V HA 0.733 4.853 4.120 0.001 0.000 0.294 393 V C 0.056 176.119 176.094 -0.052 0.000 1.022 393 V CA -0.421 61.755 62.300 -0.207 0.000 0.850 393 V CB 1.377 33.099 31.823 -0.169 0.000 0.992 393 V HN 1.074 nan 8.190 nan 0.000 0.426 394 T N 1.811 116.362 114.554 -0.006 0.000 2.883 394 T HA 0.883 5.234 4.350 0.001 0.000 0.296 394 T C -1.042 173.742 174.700 0.141 0.000 1.117 394 T CA -0.743 61.375 62.100 0.029 0.000 1.006 394 T CB 2.362 71.198 68.868 -0.052 0.000 1.191 394 T HN 0.838 nan 8.240 nan 0.000 0.508 395 Y N -1.846 118.446 120.300 -0.014 0.000 2.655 395 Y HA 0.783 5.333 4.550 0.001 0.000 0.336 395 Y C -0.976 174.919 175.900 -0.009 0.000 1.154 395 Y CA -1.317 56.778 58.100 -0.008 0.000 1.055 395 Y CB 0.887 39.351 38.460 0.006 0.000 1.295 395 Y HN 0.645 nan 8.280 nan 0.000 0.465 396 T N 3.898 118.473 114.554 0.035 0.000 2.801 396 T HA 0.425 4.775 4.350 0.001 0.000 0.306 396 T C -2.840 171.886 174.700 0.043 0.000 1.020 396 T CA -1.389 60.673 62.100 -0.063 0.000 0.948 396 T CB 0.783 69.645 68.868 -0.010 0.000 0.962 396 T HN 0.353 nan 8.240 nan 0.000 0.465 397 P HA 0.257 nan 4.420 nan 0.000 0.268 397 P C 1.195 178.540 177.300 0.076 0.000 1.205 397 P CA 0.602 63.777 63.100 0.124 0.000 0.771 397 P CB 0.428 32.164 31.700 0.060 0.000 0.858 398 G N 1.621 110.474 108.800 0.087 0.000 2.245 398 G HA2 -0.287 3.673 3.960 0.001 0.000 0.264 398 G HA3 -0.287 3.673 3.960 0.001 0.000 0.264 398 G C 0.525 175.437 174.900 0.021 0.000 0.985 398 G CA 0.149 45.275 45.100 0.043 0.000 0.625 398 G HN 0.887 nan 8.290 nan 0.000 0.536 399 A N 0.732 123.566 122.820 0.024 0.000 2.584 399 A HA 0.518 4.838 4.320 0.001 0.000 0.239 399 A C 1.826 179.401 177.584 -0.016 0.000 1.043 399 A CA 1.505 53.544 52.037 0.003 0.000 0.756 399 A CB 0.128 19.133 19.000 0.008 0.000 0.963 399 A HN 1.834 nan 8.150 nan 0.000 0.511 400 S N 1.662 117.349 115.700 -0.021 0.000 2.447 400 S HA -0.160 4.311 4.470 0.001 0.000 0.233 400 S C 1.474 176.044 174.600 -0.051 0.000 1.006 400 S CA 1.561 59.742 58.200 -0.033 0.000 0.957 400 S CB -0.888 62.297 63.200 -0.026 0.000 0.773 400 S HN 1.202 nan 8.310 nan 0.000 0.507 401 T N -0.822 113.703 114.554 -0.048 0.000 3.085 401 T HA 0.143 4.493 4.350 0.001 0.000 0.263 401 T C 0.510 175.156 174.700 -0.091 0.000 1.127 401 T CA -0.146 61.917 62.100 -0.061 0.000 1.103 401 T CB -0.637 68.204 68.868 -0.044 0.000 0.921 401 T HN 0.212 nan 8.240 nan 0.000 0.510 402 N N 2.020 120.664 118.700 -0.093 0.000 2.468 402 N HA 0.245 4.986 4.740 0.001 0.000 0.265 402 N C 0.735 176.097 175.510 -0.246 0.000 1.199 402 N CA -0.044 52.925 53.050 -0.134 0.000 0.928 402 N CB 1.254 39.687 38.487 -0.090 0.000 1.059 402 N HN 0.334 nan 8.380 nan 0.000 0.467 403 K N 1.126 121.293 120.400 -0.388 0.000 2.366 403 K HA 0.040 4.360 4.320 0.001 0.000 0.198 403 K C -0.010 176.014 176.600 -0.960 0.000 1.044 403 K CA 0.811 56.711 56.287 -0.646 0.000 0.973 403 K CB 0.147 32.207 32.500 -0.734 0.000 0.767 403 K HN 0.554 nan 8.250 nan 0.000 0.475 404 H N -0.656 118.118 119.070 -0.495 0.000 2.731 404 H HA 0.309 4.866 4.556 0.001 0.000 0.368 404 H C -2.453 172.554 175.328 -0.535 0.000 1.168 404 H CA -2.745 52.845 56.048 -0.765 0.000 1.181 404 H CB 1.173 30.098 29.762 -1.395 0.000 1.743 404 H HN -0.155 nan 8.280 nan 0.000 0.547 405 P HA 0.032 nan 4.420 nan 0.000 0.274 405 P C 0.306 177.413 177.300 -0.323 0.000 1.256 405 P CA -0.247 62.655 63.100 -0.330 0.000 0.795 405 P CB 1.240 32.709 31.700 -0.385 0.000 1.038 406 D N -0.215 120.126 120.400 -0.099 0.000 2.144 406 D HA -0.117 4.523 4.640 0.001 0.000 0.200 406 D C 1.932 178.262 176.300 0.050 0.000 0.978 406 D CA 1.200 55.220 54.000 0.033 0.000 0.833 406 D CB -0.513 40.397 40.800 0.183 0.000 0.961 406 D HN 0.589 nan 8.370 nan 0.000 0.470 407 W N 0.392 121.766 121.300 0.123 0.000 2.338 407 W HA -0.161 4.499 4.660 0.001 0.000 0.304 407 W C 1.986 178.579 176.519 0.123 0.000 1.212 407 W CA 0.263 57.676 57.345 0.113 0.000 1.264 407 W CB -1.478 28.043 29.460 0.101 0.000 1.142 407 W HN 0.066 nan 8.180 nan 0.000 0.512 408 W N 3.452 124.322 121.300 -0.718 0.000 2.354 408 W HA -0.197 4.464 4.660 0.001 0.000 0.315 408 W C 1.880 178.141 176.519 -0.429 0.000 1.206 408 W CA 1.896 58.797 57.345 -0.740 0.000 1.290 408 W CB -1.023 27.724 29.460 -1.189 0.000 1.152 408 W HN -0.088 nan 8.180 nan 0.000 0.489 409 N N 0.929 119.580 118.700 -0.082 0.000 2.166 409 N HA -0.196 4.544 4.740 0.001 0.000 0.186 409 N C 1.519 176.771 175.510 -0.429 0.000 1.019 409 N CA 1.900 54.691 53.050 -0.432 0.000 0.856 409 N CB -0.633 37.186 38.487 -1.113 0.000 0.993 409 N HN 0.231 nan 8.380 nan 0.000 0.426 410 E N 1.458 121.553 120.200 -0.175 0.000 2.051 410 E HA -0.075 4.276 4.350 0.001 0.000 0.192 410 E C 1.635 178.290 176.600 0.092 0.000 0.991 410 E CA 1.363 57.831 56.400 0.113 0.000 0.799 410 E CB 0.039 29.863 29.700 0.207 0.000 0.748 410 E HN 0.252 nan 8.360 nan 0.000 0.449 411 K N -0.413 120.023 120.400 0.059 0.000 2.026 411 K HA -0.105 4.215 4.320 0.001 0.000 0.208 411 K C 2.153 178.756 176.600 0.004 0.000 1.048 411 K CA 1.514 57.822 56.287 0.035 0.000 0.929 411 K CB -0.225 32.275 32.500 -0.001 0.000 0.713 411 K HN 0.035 nan 8.250 nan 0.000 0.439 412 V N 2.134 122.011 119.914 -0.061 0.000 2.295 412 V HA -0.263 3.857 4.120 0.001 0.000 0.246 412 V C 2.423 178.554 176.094 0.061 0.000 1.049 412 V CA 1.677 63.958 62.300 -0.032 0.000 1.024 412 V CB -0.476 31.313 31.823 -0.058 0.000 0.648 412 V HN 0.353 nan 8.190 nan 0.000 0.447 413 K N 0.366 120.803 120.400 0.063 0.000 2.032 413 K HA -0.246 4.074 4.320 0.001 0.000 0.209 413 K C 2.003 178.669 176.600 0.109 0.000 1.048 413 K CA 2.044 58.401 56.287 0.116 0.000 0.927 413 K CB -0.274 32.364 32.500 0.229 0.000 0.712 413 K HN 0.442 nan 8.250 nan 0.000 0.441 414 N N 0.359 119.130 118.700 0.117 0.000 2.142 414 N HA -0.175 4.565 4.740 0.001 0.000 0.186 414 N C 1.788 177.373 175.510 0.125 0.000 1.023 414 N CA 1.383 54.500 53.050 0.111 0.000 0.852 414 N CB -0.643 37.913 38.487 0.116 0.000 0.998 414 N HN 0.458 nan 8.380 nan 0.000 0.424 415 H N 0.563 119.664 119.070 0.051 0.000 2.321 415 H HA 0.116 4.672 4.556 0.001 0.000 0.300 415 H C 2.052 177.426 175.328 0.077 0.000 1.087 415 H CA 1.677 57.755 56.048 0.049 0.000 1.319 415 H CB -0.116 29.574 29.762 -0.120 0.000 1.379 415 H HN 0.073 nan 8.280 nan 0.000 0.501 416 M N -0.975 118.601 119.600 -0.041 0.000 2.229 416 M HA -0.107 4.373 4.480 0.001 0.000 0.264 416 M C 2.151 178.497 176.300 0.077 0.000 1.063 416 M CA 1.496 56.782 55.300 -0.023 0.000 1.114 416 M CB -0.018 32.648 32.600 0.110 0.000 1.387 416 M HN 0.377 nan 8.290 nan 0.000 0.420 417 M N 0.420 120.061 119.600 0.068 0.000 2.236 417 M HA -0.144 4.337 4.480 0.001 0.000 0.266 417 M C 2.064 178.378 176.300 0.024 0.000 1.070 417 M CA 1.512 56.870 55.300 0.098 0.000 1.137 417 M CB 0.002 32.636 32.600 0.056 0.000 1.378 417 M HN 0.264 nan 8.290 nan 0.000 0.426 418 Q N -1.853 117.907 119.800 -0.067 0.000 2.282 418 Q HA 0.045 4.385 4.340 0.001 0.000 0.206 418 Q C -0.487 175.202 176.000 -0.518 0.000 0.878 418 Q CA 0.379 56.047 55.803 -0.225 0.000 0.944 418 Q CB 0.068 28.680 28.738 -0.210 0.000 1.100 418 Q HN 0.506 nan 8.270 nan 0.000 0.509 419 H N 1.492 120.473 119.070 -0.148 0.000 2.348 419 H HA 0.255 4.811 4.556 0.001 0.000 0.232 419 H C -0.036 175.188 175.328 -0.174 0.000 1.419 419 H CA -0.208 55.754 56.048 -0.143 0.000 1.416 419 H CB 0.845 30.485 29.762 -0.202 0.000 1.510 419 H HN 0.341 nan 8.280 nan 0.000 0.507 420 Q N 0.663 120.421 119.800 -0.071 0.000 2.436 420 Q HA -0.099 4.242 4.340 0.001 0.000 0.209 420 Q C 1.803 177.718 176.000 -0.141 0.000 0.965 420 Q CA 0.730 56.437 55.803 -0.160 0.000 0.910 420 Q CB 0.453 29.029 28.738 -0.269 0.000 0.980 420 Q HN 0.532 nan 8.270 nan 0.000 0.491 421 E N 1.034 121.207 120.200 -0.045 0.000 2.371 421 E HA -0.090 4.260 4.350 0.001 0.000 0.194 421 E C -0.306 176.317 176.600 0.038 0.000 1.012 421 E CA 0.418 56.812 56.400 -0.009 0.000 0.860 421 E CB -0.010 29.705 29.700 0.026 0.000 0.811 421 E HN 0.120 nan 8.360 nan 0.000 0.502 422 D N 2.543 122.983 120.400 0.066 0.000 2.312 422 D HA 0.090 4.731 4.640 0.001 0.000 0.252 422 D C -1.518 174.823 176.300 0.068 0.000 1.150 422 D CA -1.917 52.150 54.000 0.112 0.000 0.870 422 D CB 1.487 42.376 40.800 0.147 0.000 1.153 422 D HN -0.101 nan 8.370 nan 0.000 0.457 423 P HA 0.109 nan 4.420 nan 0.000 0.255 423 P C -0.236 177.103 177.300 0.065 0.000 1.248 423 P CA 0.101 63.234 63.100 0.055 0.000 0.807 423 P CB 0.412 32.138 31.700 0.044 0.000 1.150 424 L N 1.768 123.044 121.223 0.087 0.000 2.331 424 L HA 0.382 4.722 4.340 0.001 0.000 0.275 424 L C -1.297 175.621 176.870 0.080 0.000 1.022 424 L CA -2.327 52.545 54.840 0.052 0.000 0.812 424 L CB 2.323 44.384 42.059 0.003 0.000 1.257 424 L HN -0.305 nan 8.230 nan 0.000 0.435 425 P HA 0.052 nan 4.420 nan 0.000 0.245 425 P C 0.237 177.438 177.300 -0.165 0.000 1.206 425 P CA 0.627 63.741 63.100 0.023 0.000 0.781 425 P CB 0.343 32.048 31.700 0.008 0.000 0.994 426 I N 2.339 122.718 120.570 -0.319 0.000 2.352 426 I HA 0.201 4.372 4.170 0.001 0.000 0.290 426 I C -2.117 173.517 176.117 -0.804 0.000 1.036 426 I CA -2.701 58.336 61.300 -0.438 0.000 1.336 426 I CB 0.639 38.470 38.000 -0.282 0.000 1.407 426 I HN -0.236 nan 8.210 nan 0.000 0.497 427 P HA -0.013 nan 4.420 nan 0.000 0.267 427 P C 0.338 177.359 177.300 -0.466 0.000 1.200 427 P CA 0.030 62.710 63.100 -0.700 0.000 0.772 427 P CB 0.336 31.873 31.700 -0.273 0.000 0.855 428 F N 0.851 120.620 119.950 -0.303 0.000 2.161 428 F HA -0.140 4.387 4.527 0.001 0.000 0.300 428 F C 1.758 177.494 175.800 -0.105 0.000 1.089 428 F CA 1.615 59.509 58.000 -0.176 0.000 1.282 428 F CB -0.891 38.024 39.000 -0.141 0.000 1.010 428 F HN 0.419 nan 8.300 nan 0.000 0.485 429 E N -0.476 119.778 120.200 0.090 0.000 2.444 429 E HA -0.006 4.344 4.350 0.001 0.000 0.191 429 E C -0.187 176.419 176.600 0.010 0.000 1.041 429 E CA -0.246 56.186 56.400 0.054 0.000 0.883 429 E CB -0.175 29.561 29.700 0.059 0.000 1.024 429 E HN 0.178 nan 8.360 nan 0.000 0.470 430 D N 2.699 123.080 120.400 -0.031 0.000 2.472 430 D HA -0.004 4.637 4.640 0.001 0.000 0.248 430 D C -2.238 174.070 176.300 0.015 0.000 1.174 430 D CA -1.248 52.727 54.000 -0.042 0.000 0.883 430 D CB 0.744 41.481 40.800 -0.105 0.000 1.149 430 D HN -0.102 nan 8.370 nan 0.000 0.488 431 P HA 0.070 nan 4.420 nan 0.000 0.272 431 P C -0.291 177.121 177.300 0.187 0.000 1.240 431 P CA -0.431 62.760 63.100 0.151 0.000 0.791 431 P CB 0.348 32.162 31.700 0.189 0.000 0.978 432 E N 1.420 121.746 120.200 0.211 0.000 2.409 432 E HA 0.131 4.482 4.350 0.001 0.000 0.257 432 E C -2.474 174.182 176.600 0.094 0.000 1.150 432 E CA -1.636 54.827 56.400 0.105 0.000 0.942 432 E CB -1.111 28.612 29.700 0.039 0.000 0.979 432 E HN 0.219 nan 8.360 nan 0.000 0.447 433 P HA 0.109 nan 4.420 nan 0.000 0.274 433 P C -0.552 176.766 177.300 0.030 0.000 1.231 433 P CA -0.077 63.106 63.100 0.139 0.000 0.790 433 P CB 0.427 32.150 31.700 0.039 0.000 0.951 434 Q N 0.924 120.827 119.800 0.172 0.000 3.300 434 Q HA 0.315 4.655 4.340 0.001 0.000 0.271 434 Q C -1.079 175.004 176.000 0.139 0.000 0.926 434 Q CA -0.324 55.459 55.803 -0.034 0.000 0.788 434 Q CB 1.175 29.654 28.738 -0.432 0.000 1.385 434 Q HN 0.185 nan 8.270 nan 0.000 0.424 435 V N 0.591 120.537 119.914 0.054 0.000 2.630 435 V HA 0.706 4.826 4.120 0.001 0.000 0.305 435 V C 0.222 176.315 176.094 -0.001 0.000 1.046 435 V CA -0.358 61.972 62.300 0.049 0.000 0.934 435 V CB 2.040 33.837 31.823 -0.043 0.000 1.003 435 V HN 0.455 nan 8.190 nan 0.000 0.451 436 T N 1.684 116.271 114.554 0.055 0.000 2.900 436 T HA 0.486 4.836 4.350 0.001 0.000 0.303 436 T C -0.919 173.730 174.700 -0.086 0.000 1.142 436 T CA -0.322 61.759 62.100 -0.031 0.000 1.007 436 T CB 1.858 70.692 68.868 -0.056 0.000 1.156 436 T HN 0.825 nan 8.240 nan 0.000 0.490 437 T N 4.378 118.733 114.554 -0.332 0.000 2.770 437 T HA 0.615 4.965 4.350 0.001 0.000 0.283 437 T C -0.139 174.412 174.700 -0.249 0.000 0.988 437 T CA -0.616 61.133 62.100 -0.585 0.000 0.957 437 T CB -0.082 68.006 68.868 -1.300 0.000 0.930 437 T HN 0.510 nan 8.240 nan 0.000 0.443 438 L N 4.425 125.584 121.223 -0.107 0.000 2.452 438 L HA 0.391 4.732 4.340 0.001 0.000 0.267 438 L C 0.726 177.609 176.870 0.022 0.000 1.188 438 L CA -0.931 53.929 54.840 0.034 0.000 0.821 438 L CB 0.173 42.255 42.059 0.037 0.000 1.102 438 L HN 0.636 nan 8.230 nan 0.000 0.470 439 F N 3.003 122.892 119.950 -0.102 0.000 2.480 439 F HA -0.137 4.391 4.527 0.001 0.000 0.409 439 F C 0.307 175.861 175.800 -0.410 0.000 0.979 439 F CA 0.754 58.597 58.000 -0.262 0.000 1.184 439 F CB 0.048 38.944 39.000 -0.172 0.000 0.925 439 F HN 0.403 nan 8.300 nan 0.000 0.543 440 Q N 6.787 126.063 119.800 -0.873 0.000 2.456 440 Q HA 0.261 4.601 4.340 0.001 0.000 0.283 440 Q C -1.957 173.554 176.000 -0.816 0.000 1.084 440 Q CA -1.800 53.585 55.803 -0.696 0.000 0.801 440 Q CB 1.454 29.686 28.738 -0.844 0.000 1.434 440 Q HN 0.234 nan 8.270 nan 0.000 0.419 441 P HA -0.209 nan 4.420 nan 0.000 0.216 441 P C 1.148 178.230 177.300 -0.363 0.000 1.154 441 P CA 2.093 65.009 63.100 -0.308 0.000 0.865 441 P CB 0.230 31.846 31.700 -0.141 0.000 0.789 442 S N -1.811 113.680 115.700 -0.348 0.000 2.562 442 S HA -0.077 4.394 4.470 0.001 0.000 0.221 442 S C 0.498 174.908 174.600 -0.317 0.000 0.975 442 S CA 0.068 58.128 58.200 -0.233 0.000 0.918 442 S CB -1.241 61.915 63.200 -0.073 0.000 0.772 442 S HN 0.433 nan 8.310 nan 0.000 0.531 443 H N -1.345 117.280 119.070 -0.742 0.000 2.562 443 H HA 0.471 5.027 4.556 0.001 0.000 0.230 443 H C -3.251 170.906 175.328 -1.950 0.000 1.415 443 H CA -1.760 53.436 56.048 -1.420 0.000 1.454 443 H CB 0.432 29.664 29.762 -0.884 0.000 1.716 443 H HN 0.056 nan 8.280 nan 0.000 0.538 444 P HA 0.095 nan 4.420 nan 0.000 0.220 444 P C -1.267 175.523 177.300 -0.851 0.000 1.806 444 P CA 0.213 62.238 63.100 -1.792 0.000 0.976 444 P CB -1.066 30.108 31.700 -0.877 0.000 1.952 445 W N -0.199 120.840 121.300 -0.436 0.000 3.213 445 W HA 0.507 5.167 4.660 0.001 0.000 0.318 445 W C -1.061 175.545 176.519 0.146 0.000 1.248 445 W CA -1.256 56.131 57.345 0.069 0.000 1.187 445 W CB 0.090 29.599 29.460 0.082 0.000 1.403 445 W HN 0.010 nan 8.180 nan 0.000 0.556 446 H N 1.133 120.459 119.070 0.426 0.000 2.481 446 H HA 0.702 5.258 4.556 0.001 0.000 0.339 446 H C -0.163 175.308 175.328 0.238 0.000 1.131 446 H CA 0.398 56.604 56.048 0.263 0.000 1.301 446 H CB 1.494 31.372 29.762 0.192 0.000 1.476 446 H HN 0.572 nan 8.280 nan 0.000 0.529 447 T N 2.270 116.486 114.554 -0.565 0.000 2.876 447 T HA 0.486 4.836 4.350 0.001 0.000 0.289 447 T C -0.672 173.718 174.700 -0.515 0.000 1.014 447 T CA -1.115 60.658 62.100 -0.545 0.000 0.986 447 T CB 1.633 70.075 68.868 -0.710 0.000 1.021 447 T HN 0.676 nan 8.240 nan 0.000 0.458 448 Q N 1.825 121.508 119.800 -0.194 0.000 2.292 448 Q HA 0.544 4.885 4.340 0.001 0.000 0.270 448 Q C -1.216 174.609 176.000 -0.292 0.000 1.024 448 Q CA -0.586 55.019 55.803 -0.330 0.000 0.768 448 Q CB 2.480 30.942 28.738 -0.459 0.000 1.250 448 Q HN 0.710 nan 8.270 nan 0.000 0.447 449 I N 4.040 124.417 120.570 -0.322 0.000 2.464 449 I HA 0.387 4.557 4.170 0.001 0.000 0.277 449 I C -0.302 175.680 176.117 -0.226 0.000 1.040 449 I CA -0.253 60.773 61.300 -0.458 0.000 1.153 449 I CB 0.450 38.065 38.000 -0.641 0.000 1.274 449 I HN 0.761 nan 8.210 nan 0.000 0.469 450 H N 4.218 123.108 119.070 -0.299 0.000 3.075 450 H HA 0.637 5.193 4.556 0.001 0.000 0.263 450 H C -1.258 174.002 175.328 -0.113 0.000 1.549 450 H CA -1.332 54.614 56.048 -0.171 0.000 1.192 450 H CB 1.361 31.046 29.762 -0.127 0.000 1.898 450 H HN 0.144 nan 8.280 nan 0.000 0.696 451 R N 1.048 121.397 120.500 -0.252 0.000 2.628 451 R HA 0.303 4.644 4.340 0.001 0.000 0.288 451 R C -1.452 174.549 176.300 -0.498 0.000 0.980 451 R CA -0.511 55.401 56.100 -0.314 0.000 0.891 451 R CB 1.908 32.154 30.300 -0.091 0.000 1.188 451 R HN 0.914 nan 8.270 nan 0.000 0.450 452 D N 0.193 120.351 120.400 -0.404 0.000 2.837 452 D HA 0.464 5.105 4.640 0.001 0.000 0.294 452 D C -0.633 175.645 176.300 -0.036 0.000 1.158 452 D CA -0.816 53.036 54.000 -0.246 0.000 1.073 452 D CB 0.111 40.758 40.800 -0.256 0.000 1.419 452 D HN 0.402 nan 8.370 nan 0.000 0.584 453 A N -0.540 122.292 122.820 0.020 0.000 2.546 453 A HA 0.435 4.756 4.320 0.001 0.000 0.243 453 A C -0.858 176.803 177.584 0.129 0.000 1.063 453 A CA 0.153 52.249 52.037 0.100 0.000 0.757 453 A CB -0.831 18.254 19.000 0.141 0.000 0.991 453 A HN 0.475 nan 8.150 nan 0.000 0.503 454 F N 1.846 121.752 119.950 -0.074 0.000 2.628 454 F HA 0.471 4.999 4.527 0.001 0.000 0.309 454 F C 0.057 175.684 175.800 -0.288 0.000 1.108 454 F CA -0.187 57.671 58.000 -0.237 0.000 0.971 454 F CB 1.930 40.721 39.000 -0.349 0.000 1.279 454 F HN 0.601 nan 8.300 nan 0.000 0.441 455 S N 4.098 119.257 115.700 -0.901 0.000 2.420 455 S HA 0.529 5.000 4.470 0.001 0.000 0.313 455 S C -1.291 172.981 174.600 -0.546 0.000 1.079 455 S CA -0.440 57.451 58.200 -0.515 0.000 1.104 455 S CB 0.167 63.143 63.200 -0.374 0.000 0.969 455 S HN 0.484 nan 8.310 nan 0.000 0.471 456 Y N 2.320 122.648 120.300 0.046 0.000 2.316 456 Y HA 0.528 5.078 4.550 0.001 0.000 0.331 456 Y C 1.509 177.452 175.900 0.071 0.000 1.083 456 Y CA 0.031 58.231 58.100 0.168 0.000 1.206 456 Y CB 0.682 39.267 38.460 0.208 0.000 1.195 456 Y HN 0.953 nan 8.280 nan 0.000 0.497 457 G N 0.974 109.899 108.800 0.208 0.000 2.750 457 G HA2 0.204 4.165 3.960 0.001 0.000 0.250 457 G HA3 0.204 4.165 3.960 0.001 0.000 0.250 457 G C 0.879 175.863 174.900 0.141 0.000 1.230 457 G CA -0.058 45.120 45.100 0.130 0.000 0.883 457 G HN 0.914 nan 8.290 nan 0.000 0.573 458 A N -0.786 122.088 122.820 0.090 0.000 2.259 458 A HA 0.178 4.499 4.320 0.001 0.000 0.212 458 A C 1.819 179.445 177.584 0.071 0.000 1.178 458 A CA 1.994 54.075 52.037 0.073 0.000 0.734 458 A CB -0.252 18.776 19.000 0.048 0.000 0.774 458 A HN 1.115 nan 8.150 nan 0.000 0.481 459 V N -4.035 115.933 119.914 0.089 0.000 3.368 459 V HA -0.029 4.091 4.120 0.001 0.000 0.255 459 V C 1.662 177.804 176.094 0.079 0.000 1.466 459 V CA 0.468 62.811 62.300 0.070 0.000 1.095 459 V CB -0.808 31.051 31.823 0.060 0.000 0.899 459 V HN 0.473 nan 8.190 nan 0.000 0.440 460 Q N 1.269 121.150 119.800 0.135 0.000 2.437 460 Q HA -0.111 4.230 4.340 0.001 0.000 0.210 460 Q C 1.875 177.883 176.000 0.013 0.000 0.972 460 Q CA 1.341 57.232 55.803 0.147 0.000 0.903 460 Q CB -0.269 28.722 28.738 0.421 0.000 0.967 460 Q HN 0.718 nan 8.270 nan 0.000 0.486 461 Q N 0.046 119.884 119.800 0.062 0.000 2.378 461 Q HA -0.008 4.333 4.340 0.001 0.000 0.205 461 Q C 1.858 177.852 176.000 -0.009 0.000 0.954 461 Q CA 0.649 56.457 55.803 0.009 0.000 0.901 461 Q CB 0.069 28.840 28.738 0.056 0.000 0.981 461 Q HN 0.190 nan 8.270 nan 0.000 0.483 462 S N 0.161 115.866 115.700 0.009 0.000 2.406 462 S HA -0.016 4.455 4.470 0.001 0.000 0.228 462 S C 0.929 175.523 174.600 -0.011 0.000 1.020 462 S CA 0.281 58.484 58.200 0.006 0.000 0.965 462 S CB 0.218 63.430 63.200 0.020 0.000 0.798 462 S HN 0.138 nan 8.310 nan 0.000 0.488 463 I N 2.934 123.485 120.570 -0.031 0.000 2.395 463 I HA 0.215 4.385 4.170 0.001 0.000 0.289 463 I C 0.384 176.460 176.117 -0.070 0.000 1.023 463 I CA -0.804 60.471 61.300 -0.041 0.000 1.350 463 I CB 0.630 38.605 38.000 -0.042 0.000 1.409 463 I HN 0.184 nan 8.210 nan 0.000 0.507 464 D N 4.516 124.894 120.400 -0.037 0.000 2.472 464 D HA -0.058 4.583 4.640 0.001 0.000 0.248 464 D C 1.138 177.403 176.300 -0.058 0.000 1.174 464 D CA 0.165 54.148 54.000 -0.029 0.000 0.883 464 D CB 1.113 41.917 40.800 0.008 0.000 1.149 464 D HN 0.631 nan 8.370 nan 0.000 0.488 465 S N 4.464 120.119 115.700 -0.076 0.000 2.419 465 S HA -0.187 4.284 4.470 0.001 0.000 0.233 465 S C 1.725 176.301 174.600 -0.041 0.000 1.016 465 S CA 0.535 58.678 58.200 -0.094 0.000 0.974 465 S CB -0.055 63.099 63.200 -0.076 0.000 0.786 465 S HN 0.562 nan 8.310 nan 0.000 0.492 466 R N 0.880 121.368 120.500 -0.019 0.000 2.200 466 R HA 0.064 4.404 4.340 0.001 0.000 0.234 466 R C 1.769 178.056 176.300 -0.021 0.000 1.127 466 R CA 1.243 57.331 56.100 -0.020 0.000 0.989 466 R CB -0.597 29.684 30.300 -0.032 0.000 0.869 466 R HN 0.463 nan 8.270 nan 0.000 0.459 467 L N 0.223 121.435 121.223 -0.019 0.000 2.509 467 L HA 0.125 4.466 4.340 0.001 0.000 0.222 467 L C 0.645 177.520 176.870 0.007 0.000 1.123 467 L CA 0.157 54.993 54.840 -0.007 0.000 0.856 467 L CB 0.115 42.169 42.059 -0.009 0.000 0.985 467 L HN 0.058 nan 8.230 nan 0.000 0.456 468 I N 0.305 120.874 120.570 -0.002 0.000 2.353 468 I HA 0.243 4.413 4.170 0.001 0.000 0.293 468 I C -0.606 175.533 176.117 0.036 0.000 0.992 468 I CA -0.409 60.903 61.300 0.020 0.000 1.268 468 I CB 1.812 39.805 38.000 -0.013 0.000 1.387 468 I HN -0.291 nan 8.210 nan 0.000 0.478 469 V N 5.032 124.987 119.914 0.069 0.000 2.540 469 V HA 0.347 4.467 4.120 0.001 0.000 0.302 469 V C -0.702 175.407 176.094 0.024 0.000 1.035 469 V CA -0.858 61.449 62.300 0.010 0.000 0.873 469 V CB 2.033 33.849 31.823 -0.012 0.000 0.992 469 V HN 0.570 nan 8.190 nan 0.000 0.428 470 D N 2.672 123.038 120.400 -0.056 0.000 2.210 470 D HA 0.450 5.090 4.640 0.001 0.000 0.249 470 D C -0.978 175.266 176.300 -0.092 0.000 1.062 470 D CA 0.060 54.058 54.000 -0.003 0.000 0.891 470 D CB 1.439 42.300 40.800 0.102 0.000 1.186 470 D HN 0.448 nan 8.370 nan 0.000 0.432 471 W N 1.327 122.575 121.300 -0.087 0.000 2.600 471 W HA 0.457 5.117 4.660 0.001 0.000 0.325 471 W C 0.267 176.787 176.519 0.002 0.000 1.034 471 W CA -0.848 56.483 57.345 -0.024 0.000 1.226 471 W CB 1.385 30.736 29.460 -0.183 0.000 1.379 471 W HN -0.081 nan 8.180 nan 0.000 0.466 472 R N 2.989 123.685 120.500 0.326 0.000 2.502 472 R HA 0.457 4.797 4.340 0.001 0.000 0.298 472 R C -1.641 174.798 176.300 0.233 0.000 1.018 472 R CA -0.847 55.343 56.100 0.149 0.000 0.899 472 R CB 1.563 31.908 30.300 0.074 0.000 1.181 472 R HN 0.199 nan 8.270 nan 0.000 0.444 473 F N 3.105 122.903 119.950 -0.254 0.000 2.458 473 F HA 0.504 5.031 4.527 0.001 0.000 0.336 473 F C -0.324 175.374 175.800 -0.171 0.000 1.114 473 F CA -1.417 56.530 58.000 -0.088 0.000 0.987 473 F CB 1.094 40.001 39.000 -0.155 0.000 1.130 473 F HN 0.293 nan 8.300 nan 0.000 0.458 474 F N 1.442 121.589 119.950 0.327 0.000 2.467 474 F HA 0.672 5.200 4.527 0.001 0.000 0.336 474 F C 0.636 176.643 175.800 0.346 0.000 1.123 474 F CA -1.077 57.114 58.000 0.317 0.000 0.964 474 F CB 1.462 40.691 39.000 0.381 0.000 1.136 474 F HN 0.509 nan 8.300 nan 0.000 0.447 475 G N 1.997 111.053 108.800 0.426 0.000 2.491 475 G HA2 0.657 4.617 3.960 0.001 0.000 0.327 475 G HA3 0.657 4.617 3.960 0.001 0.000 0.327 475 G C -0.940 174.148 174.900 0.314 0.000 1.189 475 G CA -1.117 44.217 45.100 0.391 0.000 0.956 475 G HN 0.712 nan 8.290 nan 0.000 0.491 476 R N -1.041 119.636 120.500 0.295 0.000 2.457 476 R HA 0.690 5.030 4.340 0.001 0.000 0.284 476 R C -1.109 175.289 176.300 0.164 0.000 1.024 476 R CA -0.513 55.688 56.100 0.168 0.000 1.025 476 R CB 1.259 31.665 30.300 0.177 0.000 1.063 476 R HN 0.274 nan 8.270 nan 0.000 0.493 477 T N 1.618 116.242 114.554 0.117 0.000 2.840 477 T HA 0.122 4.472 4.350 0.001 0.000 0.287 477 T C -0.929 173.853 174.700 0.137 0.000 0.991 477 T CA -0.656 61.564 62.100 0.200 0.000 0.964 477 T CB 1.397 70.465 68.868 0.332 0.000 0.954 477 T HN 0.666 nan 8.240 nan 0.000 0.438 478 E N 3.963 124.246 120.200 0.139 0.000 2.376 478 E HA 0.128 4.479 4.350 0.001 0.000 0.266 478 E C -2.302 174.376 176.600 0.130 0.000 1.009 478 E CA -1.693 54.778 56.400 0.117 0.000 0.902 478 E CB 0.503 30.264 29.700 0.102 0.000 0.972 478 E HN 0.181 nan 8.360 nan 0.000 0.439 479 P HA 0.079 nan 4.420 nan 0.000 0.271 479 P C -1.202 176.256 177.300 0.262 0.000 1.226 479 P CA 0.216 63.454 63.100 0.231 0.000 0.765 479 P CB 0.555 32.400 31.700 0.243 0.000 0.835 480 K N 2.738 123.245 120.400 0.178 0.000 2.427 480 K HA 0.146 4.466 4.320 0.001 0.000 0.252 480 K C 0.898 177.347 176.600 -0.252 0.000 0.931 480 K CA -0.629 55.676 56.287 0.031 0.000 0.793 480 K CB 2.289 34.762 32.500 -0.045 0.000 1.211 480 K HN 0.432 nan 8.250 nan 0.000 0.426 481 E N 2.386 122.293 120.200 -0.488 0.000 2.085 481 E HA -0.231 4.119 4.350 0.001 0.000 0.194 481 E C 1.038 177.396 176.600 -0.402 0.000 0.994 481 E CA 1.705 57.584 56.400 -0.869 0.000 0.801 481 E CB 0.390 29.787 29.700 -0.506 0.000 0.743 481 E HN 0.564 nan 8.360 nan 0.000 0.453 482 E N 0.448 120.515 120.200 -0.222 0.000 2.401 482 E HA -0.145 4.206 4.350 0.001 0.000 0.199 482 E C -0.062 176.482 176.600 -0.094 0.000 1.023 482 E CA 0.422 56.742 56.400 -0.132 0.000 0.859 482 E CB -0.342 29.296 29.700 -0.104 0.000 0.780 482 E HN 0.107 nan 8.360 nan 0.000 0.523 483 N N 1.957 120.594 118.700 -0.104 0.000 2.406 483 N HA 0.180 4.920 4.740 0.001 0.000 0.251 483 N C -0.772 174.808 175.510 0.117 0.000 1.069 483 N CA 0.072 53.122 53.050 0.000 0.000 0.947 483 N CB 1.054 39.517 38.487 -0.039 0.000 1.111 483 N HN 0.118 nan 8.380 nan 0.000 0.497 484 K N 1.134 121.654 120.400 0.200 0.000 2.435 484 K HA 0.486 4.806 4.320 0.001 0.000 0.251 484 K C -1.124 175.637 176.600 0.269 0.000 0.954 484 K CA -0.947 55.475 56.287 0.225 0.000 0.820 484 K CB 2.403 35.038 32.500 0.224 0.000 1.292 484 K HN 0.152 nan 8.250 nan 0.000 0.436 485 L N 3.760 125.087 121.223 0.172 0.000 2.325 485 L HA 0.581 4.922 4.340 0.001 0.000 0.281 485 L C -1.352 175.460 176.870 -0.096 0.000 1.004 485 L CA -0.077 54.698 54.840 -0.108 0.000 0.823 485 L CB 0.591 42.592 42.059 -0.096 0.000 1.236 485 L HN 0.743 nan 8.230 nan 0.000 0.415 486 W N 3.599 124.582 121.300 -0.528 0.000 3.060 486 W HA 0.655 5.315 4.660 0.001 0.000 0.346 486 W C -2.240 173.768 176.519 -0.850 0.000 1.194 486 W CA -1.148 55.921 57.345 -0.459 0.000 1.105 486 W CB 1.043 30.415 29.460 -0.147 0.000 1.487 486 W HN 0.346 nan 8.180 nan 0.000 0.592 487 F N 1.586 121.756 119.950 0.367 0.000 2.539 487 F HA 0.341 4.868 4.527 0.001 0.000 0.318 487 F C 0.616 176.587 175.800 0.285 0.000 1.135 487 F CA -0.864 57.217 58.000 0.135 0.000 0.915 487 F CB 2.147 41.204 39.000 0.095 0.000 1.176 487 F HN 0.266 nan 8.300 nan 0.000 0.440 488 S N 0.979 116.827 115.700 0.246 0.000 2.564 488 S HA 0.122 4.593 4.470 0.001 0.000 0.278 488 S C 0.689 175.436 174.600 0.246 0.000 1.333 488 S CA -0.517 57.853 58.200 0.283 0.000 1.048 488 S CB 0.468 63.732 63.200 0.106 0.000 0.900 488 S HN 0.687 nan 8.310 nan 0.000 0.505 489 D N 2.613 123.147 120.400 0.223 0.000 2.328 489 D HA 0.183 4.824 4.640 0.001 0.000 0.221 489 D C 0.933 177.296 176.300 0.106 0.000 1.072 489 D CA 0.218 54.305 54.000 0.145 0.000 0.850 489 D CB 0.263 41.132 40.800 0.114 0.000 0.922 489 D HN 0.274 nan 8.370 nan 0.000 0.516 490 K N -0.237 120.228 120.400 0.108 0.000 2.567 490 K HA 0.217 4.538 4.320 0.001 0.000 0.199 490 K C 0.050 176.691 176.600 0.068 0.000 1.412 490 K CA 0.014 56.348 56.287 0.078 0.000 1.020 490 K CB 0.859 33.404 32.500 0.075 0.000 1.487 490 K HN 0.043 nan 8.250 nan 0.000 0.531 491 I N 3.292 123.904 120.570 0.071 0.000 2.428 491 I HA 0.158 4.329 4.170 0.001 0.000 0.289 491 I C 0.479 176.630 176.117 0.058 0.000 1.019 491 I CA -0.039 61.292 61.300 0.052 0.000 1.351 491 I CB 0.864 38.882 38.000 0.029 0.000 1.412 491 I HN 0.110 nan 8.210 nan 0.000 0.513 492 T N 1.347 115.933 114.554 0.053 0.000 2.887 492 T HA 0.562 4.912 4.350 0.001 0.000 0.288 492 T C -0.319 174.418 174.700 0.062 0.000 1.021 492 T CA -0.946 61.194 62.100 0.065 0.000 1.000 492 T CB 2.368 71.271 68.868 0.058 0.000 1.034 492 T HN 0.547 nan 8.240 nan 0.000 0.467 493 D N 1.492 121.946 120.400 0.091 0.000 2.425 493 D HA 0.436 5.076 4.640 0.001 0.000 0.274 493 D C 1.659 178.005 176.300 0.075 0.000 1.242 493 D CA -0.368 53.690 54.000 0.097 0.000 1.060 493 D CB -0.115 40.780 40.800 0.159 0.000 1.112 493 D HN 0.635 nan 8.370 nan 0.000 0.561 494 A N -1.466 121.395 122.820 0.069 0.000 2.067 494 A HA -0.101 4.219 4.320 0.001 0.000 0.219 494 A C 1.195 178.647 177.584 -0.220 0.000 1.158 494 A CA 0.825 52.816 52.037 -0.076 0.000 0.661 494 A CB -0.944 17.986 19.000 -0.118 0.000 0.801 494 A HN 0.541 nan 8.150 nan 0.000 0.452 495 Y N -0.948 119.373 120.300 0.034 0.000 2.625 495 Y HA 0.238 4.789 4.550 0.001 0.000 0.285 495 Y C 0.802 176.729 175.900 0.045 0.000 1.168 495 Y CA -0.269 57.852 58.100 0.035 0.000 1.250 495 Y CB -0.598 37.869 38.460 0.012 0.000 1.130 495 Y HN 0.467 nan 8.280 nan 0.000 0.526 496 N N 0.236 119.006 118.700 0.117 0.000 2.721 496 N HA -0.184 4.556 4.740 0.001 0.000 0.249 496 N C -0.712 174.855 175.510 0.094 0.000 1.072 496 N CA 0.484 53.585 53.050 0.085 0.000 0.710 496 N CB -0.430 38.093 38.487 0.060 0.000 0.993 496 N HN 0.130 nan 8.380 nan 0.000 0.547 497 M N -0.271 119.402 119.600 0.120 0.000 2.598 497 M HA 0.431 4.912 4.480 0.001 0.000 0.317 497 M C -2.063 174.304 176.300 0.111 0.000 1.201 497 M CA -2.010 53.348 55.300 0.097 0.000 0.971 497 M CB 0.661 33.320 32.600 0.099 0.000 1.657 497 M HN -0.213 nan 8.290 nan 0.000 0.470 498 P HA -0.056 nan 4.420 nan 0.000 0.261 498 P C -0.569 176.886 177.300 0.258 0.000 1.173 498 P CA 0.231 63.432 63.100 0.168 0.000 0.760 498 P CB 0.213 32.017 31.700 0.173 0.000 0.783 499 Q N 6.945 126.844 119.800 0.164 0.000 2.286 499 Q HA 0.152 4.492 4.340 0.001 0.000 0.267 499 Q C -2.217 173.745 176.000 -0.063 0.000 1.028 499 Q CA -2.016 53.827 55.803 0.067 0.000 0.901 499 Q CB -0.235 28.493 28.738 -0.017 0.000 1.183 499 Q HN 0.296 nan 8.270 nan 0.000 0.392 500 P HA 0.085 nan 4.420 nan 0.000 0.271 500 P C -1.025 175.809 177.300 -0.776 0.000 1.216 500 P CA -0.082 62.619 63.100 -0.665 0.000 0.776 500 P CB 0.964 32.376 31.700 -0.480 0.000 0.881 501 T N 2.885 116.755 114.554 -1.141 0.000 2.916 501 T HA 0.502 4.852 4.350 0.001 0.000 0.298 501 T C -0.624 173.417 174.700 -1.098 0.000 1.031 501 T CA -0.112 61.313 62.100 -1.125 0.000 0.993 501 T CB 0.547 68.382 68.868 -1.720 0.000 1.045 501 T HN 0.062 nan 8.240 nan 0.000 0.454 502 F N 1.828 121.502 119.950 -0.459 0.000 2.425 502 F HA 0.550 5.077 4.527 0.001 0.000 0.331 502 F C 0.601 176.357 175.800 -0.074 0.000 1.085 502 F CA -0.941 56.918 58.000 -0.234 0.000 1.028 502 F CB 1.209 40.112 39.000 -0.162 0.000 1.177 502 F HN 0.398 nan 8.300 nan 0.000 0.487 503 D N 3.154 123.733 120.400 0.299 0.000 2.375 503 D HA 0.233 4.873 4.640 0.001 0.000 0.259 503 D C -1.790 174.657 176.300 0.246 0.000 1.235 503 D CA -0.067 54.093 54.000 0.266 0.000 0.924 503 D CB 0.439 41.422 40.800 0.304 0.000 1.143 503 D HN 0.313 nan 8.370 nan 0.000 0.529 504 F N 3.236 123.182 119.950 -0.008 0.000 2.574 504 F HA 0.557 5.084 4.527 0.001 0.000 0.313 504 F C -1.156 174.542 175.800 -0.170 0.000 1.130 504 F CA -0.596 57.334 58.000 -0.116 0.000 0.936 504 F CB 1.367 40.233 39.000 -0.224 0.000 1.219 504 F HN 0.016 nan 8.300 nan 0.000 0.445 505 R N 4.381 124.353 120.500 -0.880 0.000 2.698 505 R HA 0.345 4.686 4.340 0.001 0.000 0.275 505 R C -1.636 174.029 176.300 -1.059 0.000 1.001 505 R CA -0.972 54.687 56.100 -0.736 0.000 0.896 505 R CB 1.822 31.941 30.300 -0.302 0.000 1.218 505 R HN 0.569 nan 8.270 nan 0.000 0.462 506 F N 3.069 122.767 119.950 -0.420 0.000 2.571 506 F HA 0.138 4.666 4.527 0.001 0.000 0.384 506 F C -1.305 174.365 175.800 -0.216 0.000 1.058 506 F CA -0.985 56.873 58.000 -0.236 0.000 1.200 506 F CB -0.148 38.835 39.000 -0.028 0.000 1.077 506 F HN 0.125 nan 8.300 nan 0.000 0.558 507 P HA 0.103 nan 4.420 nan 0.000 0.266 507 P C -0.498 176.816 177.300 0.024 0.000 1.195 507 P CA -0.163 62.915 63.100 -0.036 0.000 0.768 507 P CB 0.512 32.209 31.700 -0.004 0.000 0.838 508 A N 2.705 125.526 122.820 0.002 0.000 2.366 508 A HA 0.548 4.868 4.320 0.001 0.000 0.250 508 A C 1.095 178.696 177.584 0.028 0.000 1.099 508 A CA 0.823 52.867 52.037 0.013 0.000 0.794 508 A CB -0.980 18.020 19.000 -0.000 0.000 1.056 508 A HN 0.842 nan 8.150 nan 0.000 0.499 509 G N -0.151 108.667 108.800 0.030 0.000 2.481 509 G HA2 -0.237 3.723 3.960 0.001 0.000 0.230 509 G HA3 -0.237 3.723 3.960 0.001 0.000 0.230 509 G C 0.986 175.918 174.900 0.053 0.000 1.210 509 G CA 0.756 45.879 45.100 0.039 0.000 0.936 509 G HN 1.092 nan 8.290 nan 0.000 0.583 510 R N -0.238 120.299 120.500 0.062 0.000 2.103 510 R HA -0.112 4.229 4.340 0.001 0.000 0.242 510 R C 2.735 179.093 176.300 0.097 0.000 1.142 510 R CA 2.864 59.011 56.100 0.078 0.000 0.960 510 R CB -0.962 29.386 30.300 0.079 0.000 0.858 510 R HN 0.631 nan 8.270 nan 0.000 0.439 511 T N 0.117 114.731 114.554 0.101 0.000 2.684 511 T HA -0.117 4.234 4.350 0.001 0.000 0.267 511 T C 1.942 176.699 174.700 0.095 0.000 1.036 511 T CA 1.853 64.027 62.100 0.124 0.000 1.148 511 T CB -0.205 68.755 68.868 0.155 0.000 0.863 511 T HN 0.297 nan 8.240 nan 0.000 0.436 512 S N 0.577 116.319 115.700 0.070 0.000 2.368 512 S HA -0.053 4.418 4.470 0.001 0.000 0.224 512 S C 2.057 176.673 174.600 0.026 0.000 1.029 512 S CA 0.866 59.080 58.200 0.024 0.000 0.988 512 S CB -0.208 63.004 63.200 0.019 0.000 0.838 512 S HN 0.368 nan 8.310 nan 0.000 0.462 513 K N 1.342 121.772 120.400 0.051 0.000 2.057 513 K HA -0.125 4.195 4.320 0.001 0.000 0.207 513 K C 1.816 178.474 176.600 0.097 0.000 1.049 513 K CA 1.389 57.714 56.287 0.062 0.000 0.931 513 K CB -0.202 32.337 32.500 0.065 0.000 0.714 513 K HN 0.420 nan 8.250 nan 0.000 0.440 514 E N -0.095 120.187 120.200 0.135 0.000 2.106 514 E HA -0.147 4.203 4.350 0.001 0.000 0.192 514 E C 1.950 178.645 176.600 0.158 0.000 0.984 514 E CA 0.900 57.435 56.400 0.224 0.000 0.806 514 E CB -0.083 29.782 29.700 0.275 0.000 0.750 514 E HN 0.396 nan 8.360 nan 0.000 0.458 515 A N 1.365 124.246 122.820 0.101 0.000 1.908 515 A HA -0.246 4.074 4.320 0.001 0.000 0.218 515 A C 2.082 179.732 177.584 0.109 0.000 1.181 515 A CA 1.705 53.797 52.037 0.091 0.000 0.627 515 A CB -0.318 18.691 19.000 0.014 0.000 0.818 515 A HN 0.090 nan 8.150 nan 0.000 0.445 516 E N 0.436 120.686 120.200 0.083 0.000 2.072 516 E HA -0.115 4.235 4.350 0.001 0.000 0.190 516 E C 1.395 177.973 176.600 -0.036 0.000 0.982 516 E CA 1.270 57.710 56.400 0.068 0.000 0.803 516 E CB -0.345 29.382 29.700 0.045 0.000 0.755 516 E HN 0.508 nan 8.360 nan 0.000 0.453 517 D N -0.116 120.269 120.400 -0.025 0.000 2.149 517 D HA -0.196 4.444 4.640 0.001 0.000 0.198 517 D C 1.916 177.967 176.300 -0.416 0.000 0.990 517 D CA 1.230 55.198 54.000 -0.053 0.000 0.839 517 D CB -0.301 40.605 40.800 0.177 0.000 0.948 517 D HN 0.316 nan 8.370 nan 0.000 0.460 518 M N -0.483 118.708 119.600 -0.681 0.000 2.254 518 M HA -0.121 4.360 4.480 0.001 0.000 0.265 518 M C 1.952 177.833 176.300 -0.698 0.000 1.066 518 M CA 0.918 55.467 55.300 -1.252 0.000 1.123 518 M CB 0.079 32.162 32.600 -0.863 0.000 1.388 518 M HN -0.056 nan 8.290 nan 0.000 0.425 519 M N 0.479 119.796 119.600 -0.471 0.000 2.067 519 M HA -0.125 4.356 4.480 0.001 0.000 0.260 519 M C 1.784 177.854 176.300 -0.384 0.000 1.069 519 M CA 2.330 57.347 55.300 -0.472 0.000 1.117 519 M CB -0.966 31.424 32.600 -0.350 0.000 1.334 519 M HN 0.227 nan 8.290 nan 0.000 0.407 520 T N 0.106 114.505 114.554 -0.258 0.000 2.720 520 T HA -0.186 4.164 4.350 0.001 0.000 0.268 520 T C 1.485 176.094 174.700 -0.151 0.000 1.037 520 T CA 1.888 63.890 62.100 -0.163 0.000 1.144 520 T CB -0.642 68.178 68.868 -0.080 0.000 0.864 520 T HN 0.558 nan 8.240 nan 0.000 0.444 521 D N 0.402 120.703 120.400 -0.165 0.000 2.144 521 D HA -0.056 4.585 4.640 0.001 0.000 0.199 521 D C 2.055 178.304 176.300 -0.084 0.000 0.984 521 D CA 0.822 54.830 54.000 0.014 0.000 0.834 521 D CB -0.201 40.720 40.800 0.202 0.000 0.955 521 D HN 0.306 nan 8.370 nan 0.000 0.465 522 M N -0.595 118.700 119.600 -0.509 0.000 2.175 522 M HA -0.134 4.346 4.480 0.001 0.000 0.264 522 M C 1.827 177.801 176.300 -0.543 0.000 1.063 522 M CA 1.192 55.932 55.300 -0.932 0.000 1.119 522 M CB -0.069 31.739 32.600 -1.320 0.000 1.377 522 M HN 0.198 nan 8.290 nan 0.000 0.415 523 C N -0.454 118.636 119.300 -0.350 0.000 2.453 523 C HA -0.092 4.369 4.460 0.001 0.000 0.277 523 C C 2.652 177.533 174.990 -0.182 0.000 1.262 523 C CA 0.738 59.650 59.018 -0.176 0.000 1.718 523 C CB -0.931 26.757 27.740 -0.087 0.000 2.031 523 C HN 0.470 nan 8.230 nan 0.000 0.480 524 V N 0.553 120.394 119.914 -0.123 0.000 2.307 524 V HA -0.289 3.832 4.120 0.001 0.000 0.245 524 V C 2.423 178.490 176.094 -0.044 0.000 1.045 524 V CA 2.228 64.492 62.300 -0.060 0.000 1.024 524 V CB -0.650 31.193 31.823 0.033 0.000 0.651 524 V HN 0.566 nan 8.190 nan 0.000 0.449 525 M N 0.650 120.263 119.600 0.021 0.000 2.086 525 M HA -0.175 4.305 4.480 0.001 0.000 0.261 525 M C 2.495 178.673 176.300 -0.204 0.000 1.067 525 M CA 2.345 57.728 55.300 0.139 0.000 1.116 525 M CB -0.218 32.598 32.600 0.360 0.000 1.348 525 M HN 0.571 nan 8.290 nan 0.000 0.407 526 S N 0.432 115.701 115.700 -0.718 0.000 2.399 526 S HA -0.081 4.389 4.470 0.001 0.000 0.231 526 S C 1.969 176.182 174.600 -0.644 0.000 1.022 526 S CA 1.031 58.413 58.200 -1.363 0.000 0.983 526 S CB -0.842 61.353 63.200 -1.675 0.000 0.803 526 S HN 0.560 nan 8.310 nan 0.000 0.480 527 A N 2.013 124.553 122.820 -0.465 0.000 2.076 527 A HA -0.039 4.282 4.320 0.001 0.000 0.220 527 A C 2.168 179.631 177.584 -0.202 0.000 1.160 527 A CA 1.422 53.247 52.037 -0.353 0.000 0.653 527 A CB -0.564 18.258 19.000 -0.296 0.000 0.801 527 A HN 0.659 nan 8.150 nan 0.000 0.455 528 K N -0.700 119.627 120.400 -0.121 0.000 2.365 528 K HA 0.026 4.346 4.320 0.001 0.000 0.199 528 K C 1.175 177.774 176.600 -0.001 0.000 1.045 528 K CA 0.742 57.004 56.287 -0.042 0.000 0.962 528 K CB -0.009 32.504 32.500 0.021 0.000 0.759 528 K HN 0.411 nan 8.250 nan 0.000 0.469 529 I N -0.642 119.945 120.570 0.028 0.000 3.039 529 I HA 0.143 4.314 4.170 0.001 0.000 0.270 529 I C 1.181 177.314 176.117 0.027 0.000 1.150 529 I CA 0.641 61.999 61.300 0.097 0.000 1.448 529 I CB -0.176 38.023 38.000 0.333 0.000 1.197 529 I HN 0.111 nan 8.210 nan 0.000 0.450 530 G N -0.708 108.057 108.800 -0.058 0.000 2.342 530 G HA2 0.467 4.428 3.960 0.001 0.000 0.297 530 G HA3 0.467 4.428 3.960 0.001 0.000 0.297 530 G C -0.684 174.067 174.900 -0.248 0.000 1.313 530 G CA -0.144 44.892 45.100 -0.107 0.000 0.830 530 G HN 0.301 nan 8.290 nan 0.000 0.506 531 G N -1.206 107.444 108.800 -0.251 0.000 2.562 531 G HA2 0.549 4.510 3.960 0.001 0.000 0.275 531 G HA3 0.549 4.510 3.960 0.001 0.000 0.275 531 G C -0.381 174.320 174.900 -0.333 0.000 1.196 531 G CA -0.520 44.339 45.100 -0.402 0.000 0.908 531 G HN 0.415 nan 8.290 nan 0.000 0.524 532 F N -0.785 119.082 119.950 -0.138 0.000 2.506 532 F HA 0.231 4.759 4.527 0.001 0.000 0.351 532 F C 0.679 176.429 175.800 -0.082 0.000 1.136 532 F CA -0.708 57.206 58.000 -0.143 0.000 1.298 532 F CB 0.812 39.718 39.000 -0.158 0.000 1.145 532 F HN 0.163 nan 8.300 nan 0.000 0.593 533 L N 5.776 127.084 121.223 0.142 0.000 2.313 533 L HA 0.430 4.771 4.340 0.001 0.000 0.282 533 L C -2.471 174.457 176.870 0.097 0.000 1.092 533 L CA -2.154 52.743 54.840 0.096 0.000 0.831 533 L CB 0.157 42.273 42.059 0.095 0.000 1.159 533 L HN 0.273 nan 8.230 nan 0.000 0.442 534 P HA 0.233 nan 4.420 nan 0.000 0.264 534 P C 0.605 177.954 177.300 0.081 0.000 1.193 534 P CA 0.964 64.107 63.100 0.070 0.000 0.763 534 P CB 0.682 32.418 31.700 0.059 0.000 0.810 535 G N 2.251 111.088 108.800 0.062 0.000 2.234 535 G HA2 -0.232 3.729 3.960 0.001 0.000 0.235 535 G HA3 -0.232 3.729 3.960 0.001 0.000 0.235 535 G C 0.580 175.539 174.900 0.098 0.000 0.997 535 G CA 0.216 45.364 45.100 0.082 0.000 0.623 535 G HN 0.508 nan 8.290 nan 0.000 0.514 536 S N 0.896 116.636 115.700 0.067 0.000 2.835 536 S HA 0.580 5.050 4.470 0.001 0.000 0.248 536 S C 0.961 175.471 174.600 -0.149 0.000 1.070 536 S CA 0.240 58.467 58.200 0.046 0.000 1.090 536 S CB 0.702 63.929 63.200 0.046 0.000 0.978 536 S HN 1.170 nan 8.310 nan 0.000 0.510 537 G N 2.588 111.260 108.800 -0.213 0.000 2.684 537 G HA2 0.373 4.333 3.960 0.001 0.000 0.255 537 G HA3 0.373 4.333 3.960 0.001 0.000 0.255 537 G C -2.925 171.631 174.900 -0.574 0.000 1.219 537 G CA -1.268 43.504 45.100 -0.546 0.000 0.901 537 G HN 0.131 nan 8.290 nan 0.000 0.548 538 P HA 0.127 nan 4.420 nan 0.000 0.264 538 P C -0.439 176.634 177.300 -0.378 0.000 1.193 538 P CA 0.504 63.233 63.100 -0.618 0.000 0.763 538 P CB 0.508 31.814 31.700 -0.658 0.000 0.810 539 Q N 1.716 121.338 119.800 -0.297 0.000 2.472 539 Q HA 0.479 4.820 4.340 0.001 0.000 0.281 539 Q C -1.482 174.390 176.000 -0.213 0.000 0.997 539 Q CA -0.855 54.856 55.803 -0.153 0.000 0.828 539 Q CB 0.774 29.498 28.738 -0.023 0.000 1.443 539 Q HN 0.098 nan 8.270 nan 0.000 0.390 540 F N 1.311 121.216 119.950 -0.075 0.000 2.399 540 F HA 0.363 4.891 4.527 0.001 0.000 0.342 540 F C 0.589 176.367 175.800 -0.037 0.000 1.106 540 F CA -0.389 57.568 58.000 -0.071 0.000 1.196 540 F CB 1.139 40.087 39.000 -0.087 0.000 1.163 540 F HN 0.391 nan 8.300 nan 0.000 0.547 541 M N 1.652 121.331 119.600 0.132 0.000 2.291 541 M HA 0.137 4.617 4.480 0.001 0.000 0.324 541 M C 0.183 176.536 176.300 0.088 0.000 1.148 541 M CA -0.531 54.808 55.300 0.065 0.000 1.104 541 M CB 0.862 33.458 32.600 -0.006 0.000 1.483 541 M HN 0.589 nan 8.290 nan 0.000 0.467 542 E N 2.980 123.202 120.200 0.038 0.000 2.608 542 E HA -0.022 4.328 4.350 0.001 0.000 0.259 542 E C -2.149 174.474 176.600 0.038 0.000 0.951 542 E CA -1.111 55.305 56.400 0.027 0.000 0.945 542 E CB 0.361 30.053 29.700 -0.015 0.000 0.916 542 E HN 0.177 nan 8.360 nan 0.000 0.477 543 P HA 0.031 nan 4.420 nan 0.000 0.263 543 P C 0.347 177.586 177.300 -0.101 0.000 1.195 543 P CA 1.025 64.163 63.100 0.064 0.000 0.762 543 P CB 0.739 32.462 31.700 0.039 0.000 0.799 544 G N 2.576 111.317 108.800 -0.098 0.000 2.234 544 G HA2 -0.317 3.644 3.960 0.001 0.000 0.235 544 G HA3 -0.317 3.644 3.960 0.001 0.000 0.235 544 G C 0.734 175.584 174.900 -0.083 0.000 0.997 544 G CA 0.183 45.181 45.100 -0.169 0.000 0.623 544 G HN 0.530 nan 8.290 nan 0.000 0.514 545 L N 1.382 122.575 121.223 -0.050 0.000 2.191 545 L HA 0.154 4.494 4.340 0.001 0.000 0.212 545 L C 2.846 179.697 176.870 -0.031 0.000 1.103 545 L CA 2.531 57.346 54.840 -0.042 0.000 0.769 545 L CB -0.548 41.482 42.059 -0.047 0.000 0.908 545 L HN 0.631 nan 8.230 nan 0.000 0.438 546 V N 0.276 120.178 119.914 -0.020 0.000 2.317 546 V HA -0.275 3.845 4.120 0.001 0.000 0.251 546 V C 1.684 177.666 176.094 -0.187 0.000 1.065 546 V CA 1.888 64.156 62.300 -0.053 0.000 1.049 546 V CB -0.295 31.553 31.823 0.042 0.000 0.651 546 V HN 0.528 nan 8.190 nan 0.000 0.450 547 L N -0.176 121.009 121.223 -0.064 0.000 3.597 547 L HA -0.235 4.106 4.340 0.001 0.000 0.440 547 L C 0.131 177.099 176.870 0.162 0.000 1.277 547 L CA 0.940 55.799 54.840 0.033 0.000 0.852 547 L CB -2.488 39.623 42.059 0.087 0.000 1.708 547 L HN 0.638 nan 8.230 nan 0.000 0.885 548 H N -0.682 118.496 119.070 0.179 0.000 2.534 548 H HA 0.312 4.869 4.556 0.001 0.000 0.250 548 H C 0.317 175.779 175.328 0.223 0.000 1.256 548 H CA -1.171 55.020 56.048 0.238 0.000 1.000 548 H CB 0.697 30.649 29.762 0.316 0.000 1.801 548 H HN 0.156 nan 8.280 nan 0.000 0.569 549 L N 2.132 123.493 121.223 0.230 0.000 2.601 549 L HA 0.151 4.492 4.340 0.001 0.000 0.277 549 L C 0.689 177.685 176.870 0.209 0.000 1.219 549 L CA 0.850 55.779 54.840 0.149 0.000 0.915 549 L CB 0.149 42.268 42.059 0.099 0.000 1.160 549 L HN 0.430 nan 8.230 nan 0.000 0.494 550 G N 1.965 110.898 108.800 0.221 0.000 2.730 550 G HA2 0.538 4.498 3.960 0.001 0.000 0.289 550 G HA3 0.538 4.498 3.960 0.001 0.000 0.289 550 G C 0.376 175.376 174.900 0.168 0.000 1.341 550 G CA -0.247 45.004 45.100 0.252 0.000 0.932 550 G HN 1.249 nan 8.290 nan 0.000 0.481 551 G N -1.132 107.739 108.800 0.118 0.000 2.184 551 G HA2 -0.267 3.693 3.960 0.001 0.000 0.264 551 G HA3 -0.267 3.693 3.960 0.001 0.000 0.264 551 G C 1.457 176.421 174.900 0.107 0.000 0.975 551 G CA 1.673 46.847 45.100 0.124 0.000 0.642 551 G HN 1.930 nan 8.290 nan 0.000 0.536 552 T N -1.860 112.718 114.554 0.040 0.000 2.962 552 T HA 0.076 4.427 4.350 0.001 0.000 0.270 552 T C 1.104 175.888 174.700 0.139 0.000 1.088 552 T CA 1.954 64.113 62.100 0.098 0.000 1.127 552 T CB -0.327 68.609 68.868 0.113 0.000 0.883 552 T HN 1.588 nan 8.240 nan 0.000 0.493 553 H N -0.345 118.798 119.070 0.122 0.000 2.823 553 H HA 0.451 5.008 4.556 0.001 0.000 0.222 553 H C -0.128 175.240 175.328 0.067 0.000 1.414 553 H CA -1.350 54.745 56.048 0.078 0.000 1.289 553 H CB -0.405 29.369 29.762 0.021 0.000 1.970 553 H HN 0.383 nan 8.280 nan 0.000 0.517 554 R N 0.817 121.402 120.500 0.142 0.000 2.641 554 R HA 0.316 4.657 4.340 0.001 0.000 0.269 554 R C -0.346 176.013 176.300 0.098 0.000 1.074 554 R CA -0.727 55.427 56.100 0.090 0.000 1.133 554 R CB 1.007 31.349 30.300 0.069 0.000 1.029 554 R HN 0.497 nan 8.270 nan 0.000 0.488 555 M N 1.636 121.269 119.600 0.055 0.000 2.277 555 M HA 0.474 4.954 4.480 0.001 0.000 0.350 555 M C -0.634 175.662 176.300 -0.006 0.000 1.180 555 M CA 0.150 55.461 55.300 0.018 0.000 1.103 555 M CB 1.668 34.256 32.600 -0.021 0.000 1.577 555 M HN 0.931 nan 8.290 nan 0.000 0.459 556 G N 2.332 111.144 108.800 0.020 0.000 2.600 556 G HA2 0.441 4.402 3.960 0.001 0.000 0.293 556 G HA3 0.441 4.402 3.960 0.001 0.000 0.293 556 G C -0.961 173.962 174.900 0.037 0.000 1.408 556 G CA -0.683 44.387 45.100 -0.050 0.000 0.782 556 G HN 0.690 nan 8.290 nan 0.000 0.482 557 F N -0.133 119.909 119.950 0.153 0.000 2.270 557 F HA 0.270 4.798 4.527 0.001 0.000 0.295 557 F C 1.079 176.988 175.800 0.182 0.000 1.087 557 F CA 0.959 59.052 58.000 0.155 0.000 1.365 557 F CB 0.419 39.471 39.000 0.088 0.000 1.056 557 F HN 0.393 nan 8.300 nan 0.000 0.506 558 D N -0.939 119.612 120.400 0.252 0.000 2.629 558 D HA 0.140 4.780 4.640 0.001 0.000 0.250 558 D C 0.735 176.890 176.300 -0.242 0.000 1.126 558 D CA -0.265 53.724 54.000 -0.017 0.000 0.852 558 D CB 1.414 42.221 40.800 0.012 0.000 1.335 558 D HN 0.084 nan 8.370 nan 0.000 0.518 559 E N 3.122 122.864 120.200 -0.763 0.000 2.065 559 E HA -0.307 4.044 4.350 0.001 0.000 0.201 559 E C 1.358 177.808 176.600 -0.249 0.000 1.016 559 E CA 1.477 57.446 56.400 -0.718 0.000 0.818 559 E CB 0.234 29.406 29.700 -0.880 0.000 0.749 559 E HN 0.455 nan 8.360 nan 0.000 0.453 560 K N -0.002 120.285 120.400 -0.188 0.000 2.044 560 K HA -0.126 4.194 4.320 0.001 0.000 0.204 560 K C 2.117 178.693 176.600 -0.040 0.000 1.049 560 K CA 1.357 57.597 56.287 -0.079 0.000 0.945 560 K CB 0.031 32.495 32.500 -0.061 0.000 0.724 560 K HN 0.103 nan 8.250 nan 0.000 0.440 561 E N 0.304 120.481 120.200 -0.037 0.000 2.072 561 E HA -0.137 4.213 4.350 0.001 0.000 0.191 561 E C 0.782 177.384 176.600 0.004 0.000 0.985 561 E CA 1.149 57.548 56.400 -0.002 0.000 0.801 561 E CB 0.162 29.871 29.700 0.016 0.000 0.750 561 E HN 0.355 nan 8.360 nan 0.000 0.452 562 D N 0.175 120.574 120.400 -0.002 0.000 2.342 562 D HA 0.040 4.680 4.640 0.001 0.000 0.221 562 D C -0.618 175.632 176.300 -0.084 0.000 1.101 562 D CA 0.000 53.993 54.000 -0.012 0.000 0.837 562 D CB -0.030 40.795 40.800 0.042 0.000 0.938 562 D HN 0.074 nan 8.370 nan 0.000 0.508 563 N N 0.661 119.315 118.700 -0.076 0.000 2.669 563 N HA -0.194 4.547 4.740 0.001 0.000 0.266 563 N C -0.303 175.158 175.510 -0.082 0.000 1.024 563 N CA 0.580 53.577 53.050 -0.089 0.000 0.766 563 N CB -1.253 37.103 38.487 -0.218 0.000 0.898 563 N HN 0.422 nan 8.380 nan 0.000 0.548 564 C N -3.098 116.220 119.300 0.029 0.000 3.213 564 C HA 0.783 5.243 4.460 0.001 0.000 0.319 564 C C 1.388 176.550 174.990 0.288 0.000 1.386 564 C CA -0.689 58.413 59.018 0.140 0.000 1.494 564 C CB 1.578 29.416 27.740 0.165 0.000 1.905 564 C HN 0.511 nan 8.230 nan 0.000 0.456 565 C N 0.314 119.805 119.300 0.319 0.000 3.123 565 C HA 0.473 4.933 4.460 0.001 0.000 0.399 565 C C 0.694 175.777 174.990 0.156 0.000 1.320 565 C CA 0.541 59.744 59.018 0.308 0.000 1.949 565 C CB -0.522 27.323 27.740 0.176 0.000 2.692 565 C HN 0.952 nan 8.230 nan 0.000 0.623 566 V N 1.318 121.221 119.914 -0.018 0.000 2.914 566 V HA 0.716 4.836 4.120 0.001 0.000 0.314 566 V C -0.782 174.985 176.094 -0.545 0.000 1.084 566 V CA -0.635 61.416 62.300 -0.416 0.000 0.963 566 V CB 1.538 33.242 31.823 -0.199 0.000 1.025 566 V HN 0.400 nan 8.190 nan 0.000 0.432 567 N N 0.733 118.964 118.700 -0.782 0.000 2.476 567 N HA 0.269 5.009 4.740 0.001 0.000 0.287 567 N C 1.008 176.396 175.510 -0.204 0.000 1.262 567 N CA 0.141 52.957 53.050 -0.390 0.000 0.980 567 N CB 0.062 38.339 38.487 -0.351 0.000 1.163 567 N HN 0.926 nan 8.380 nan 0.000 0.592 568 T N -4.681 109.805 114.554 -0.114 0.000 3.163 568 T HA 0.015 4.365 4.350 0.001 0.000 0.260 568 T C 0.112 174.744 174.700 -0.113 0.000 1.156 568 T CA 0.552 62.582 62.100 -0.117 0.000 1.072 568 T CB -0.407 68.416 68.868 -0.075 0.000 0.937 568 T HN 0.430 nan 8.240 nan 0.000 0.528 569 D N 1.118 121.433 120.400 -0.141 0.000 2.328 569 D HA 0.163 4.804 4.640 0.001 0.000 0.221 569 D C 0.575 176.868 176.300 -0.011 0.000 1.072 569 D CA 0.156 54.085 54.000 -0.119 0.000 0.850 569 D CB 0.109 40.699 40.800 -0.350 0.000 0.922 569 D HN 0.357 nan 8.370 nan 0.000 0.516 570 S N 0.185 115.847 115.700 -0.064 0.000 3.476 570 S HA -0.255 4.216 4.470 0.001 0.000 0.309 570 S C 0.550 175.104 174.600 -0.077 0.000 1.222 570 S CA 0.474 58.670 58.200 -0.005 0.000 0.922 570 S CB -1.360 61.920 63.200 0.133 0.000 1.023 570 S HN 0.466 nan 8.310 nan 0.000 0.591 571 R N 1.161 121.472 120.500 -0.314 0.000 2.349 571 R HA 0.479 4.820 4.340 0.001 0.000 0.299 571 R C -0.069 175.894 176.300 -0.561 0.000 1.027 571 R CA -0.443 55.264 56.100 -0.654 0.000 0.958 571 R CB 0.705 30.566 30.300 -0.732 0.000 1.047 571 R HN 0.132 nan 8.270 nan 0.000 0.468 572 V N 6.071 125.705 119.914 -0.467 0.000 2.529 572 V HA 0.013 4.133 4.120 0.001 0.000 0.292 572 V C 0.152 176.180 176.094 -0.109 0.000 1.028 572 V CA 0.146 62.268 62.300 -0.297 0.000 1.074 572 V CB -0.115 31.540 31.823 -0.279 0.000 0.958 572 V HN 0.566 nan 8.190 nan 0.000 0.481 573 F N 4.016 124.006 119.950 0.067 0.000 2.612 573 F HA 0.373 4.900 4.527 0.001 0.000 0.389 573 F C 1.567 177.497 175.800 0.217 0.000 1.055 573 F CA 1.499 59.562 58.000 0.105 0.000 1.232 573 F CB -0.200 38.855 39.000 0.092 0.000 1.044 573 F HN 0.805 nan 8.300 nan 0.000 0.560 574 G N 2.325 111.301 108.800 0.293 0.000 2.241 574 G HA2 -0.293 3.668 3.960 0.001 0.000 0.244 574 G HA3 -0.293 3.668 3.960 0.001 0.000 0.244 574 G C -0.124 174.682 174.900 -0.156 0.000 0.998 574 G CA -0.502 44.646 45.100 0.079 0.000 0.621 574 G HN 0.441 nan 8.290 nan 0.000 0.519 575 F N 0.692 120.668 119.950 0.044 0.000 2.426 575 F HA 0.696 5.224 4.527 0.001 0.000 0.348 575 F C 1.140 176.932 175.800 -0.013 0.000 1.124 575 F CA -0.935 57.079 58.000 0.024 0.000 1.008 575 F CB 1.945 40.958 39.000 0.021 0.000 1.139 575 F HN -0.195 nan 8.300 nan 0.000 0.452 576 K N 1.585 122.080 120.400 0.158 0.000 2.148 576 K HA -0.081 4.240 4.320 0.001 0.000 0.204 576 K C 1.010 177.818 176.600 0.348 0.000 1.050 576 K CA 1.052 57.468 56.287 0.215 0.000 0.942 576 K CB -0.141 32.484 32.500 0.208 0.000 0.724 576 K HN 0.589 nan 8.250 nan 0.000 0.446 577 N N -0.352 118.540 118.700 0.319 0.000 2.377 577 N HA 0.080 4.820 4.740 0.001 0.000 0.259 577 N C -0.980 174.695 175.510 0.274 0.000 1.332 577 N CA -0.389 52.903 53.050 0.404 0.000 0.877 577 N CB 0.061 38.821 38.487 0.456 0.000 1.299 577 N HN -0.026 nan 8.380 nan 0.000 0.501 578 L N 0.446 121.623 121.223 -0.077 0.000 2.381 578 L HA 0.723 5.064 4.340 0.001 0.000 0.274 578 L C -1.878 174.689 176.870 -0.505 0.000 0.988 578 L CA -0.646 54.118 54.840 -0.125 0.000 0.824 578 L CB 1.086 43.037 42.059 -0.180 0.000 1.263 578 L HN -0.026 nan 8.230 nan 0.000 0.410 579 F N 4.805 124.671 119.950 -0.140 0.000 2.576 579 F HA 0.700 5.227 4.527 0.001 0.000 0.313 579 F C -0.673 174.973 175.800 -0.257 0.000 1.078 579 F CA -0.674 57.220 58.000 -0.178 0.000 0.921 579 F CB 1.960 40.870 39.000 -0.150 0.000 1.232 579 F HN 0.203 nan 8.300 nan 0.000 0.459 580 L N 1.703 122.885 121.223 -0.069 0.000 2.365 580 L HA 0.898 5.239 4.340 0.001 0.000 0.273 580 L C -0.045 176.836 176.870 0.018 0.000 1.000 580 L CA -0.795 53.937 54.840 -0.181 0.000 0.819 580 L CB 2.034 43.819 42.059 -0.456 0.000 1.284 580 L HN 0.783 nan 8.230 nan 0.000 0.418 581 G N 0.255 109.089 108.800 0.057 0.000 2.519 581 G HA2 0.812 4.772 3.960 0.001 0.000 0.307 581 G HA3 0.812 4.772 3.960 0.001 0.000 0.307 581 G C -0.514 174.517 174.900 0.219 0.000 1.266 581 G CA -0.319 44.913 45.100 0.220 0.000 0.970 581 G HN 0.974 nan 8.290 nan 0.000 0.481 582 G N -1.433 107.479 108.800 0.188 0.000 2.353 582 G HA2 0.038 3.998 3.960 0.001 0.000 0.615 582 G HA3 0.038 3.998 3.960 0.001 0.000 0.615 582 G C 0.833 175.782 174.900 0.083 0.000 1.280 582 G CA 0.047 45.230 45.100 0.138 0.000 1.000 582 G HN 1.205 nan 8.290 nan 0.000 0.516 583 C N 0.574 119.901 119.300 0.045 0.000 2.410 583 C HA 0.145 4.606 4.460 0.001 0.000 0.281 583 C C 3.067 178.032 174.990 -0.042 0.000 1.318 583 C CA 2.015 61.042 59.018 0.015 0.000 1.776 583 C CB -1.373 26.419 27.740 0.086 0.000 1.942 583 C HN 1.322 nan 8.230 nan 0.000 0.508 584 G N 0.900 109.575 108.800 -0.207 0.000 2.470 584 G HA2 -0.204 3.757 3.960 0.001 0.000 0.220 584 G HA3 -0.204 3.757 3.960 0.001 0.000 0.220 584 G C 1.414 175.940 174.900 -0.623 0.000 1.121 584 G CA 0.701 45.417 45.100 -0.640 0.000 0.766 584 G HN 0.554 nan 8.290 nan 0.000 0.553 585 N N 0.335 118.882 118.700 -0.255 0.000 2.331 585 N HA 0.025 4.766 4.740 0.001 0.000 0.180 585 N C 0.868 176.388 175.510 0.017 0.000 1.019 585 N CA 0.151 53.208 53.050 0.012 0.000 0.881 585 N CB 0.041 38.592 38.487 0.107 0.000 0.972 585 N HN 0.298 nan 8.380 nan 0.000 0.435 586 I N 3.161 123.740 120.570 0.016 0.000 2.505 586 I HA 0.031 4.202 4.170 0.001 0.000 0.287 586 I C -1.283 174.914 176.117 0.133 0.000 1.104 586 I CA -1.009 60.327 61.300 0.060 0.000 1.387 586 I CB 1.208 39.198 38.000 -0.017 0.000 1.404 586 I HN -0.045 nan 8.210 nan 0.000 0.528 587 P HA 0.032 nan 4.420 nan 0.000 0.257 587 P C 0.370 177.747 177.300 0.129 0.000 1.241 587 P CA 0.280 63.438 63.100 0.096 0.000 0.816 587 P CB 0.081 31.798 31.700 0.029 0.000 1.150 588 T N -2.193 112.469 114.554 0.181 0.000 2.881 588 T HA 0.643 4.994 4.350 0.001 0.000 0.278 588 T C 0.275 175.107 174.700 0.219 0.000 0.982 588 T CA -0.831 61.369 62.100 0.167 0.000 0.989 588 T CB 1.025 69.968 68.868 0.125 0.000 1.058 588 T HN 0.073 nan 8.240 nan 0.000 0.529 589 A N 1.998 124.882 122.820 0.107 0.000 2.350 589 A HA 0.576 4.896 4.320 0.001 0.000 0.293 589 A C -0.541 177.020 177.584 -0.038 0.000 1.231 589 A CA -0.791 51.263 52.037 0.028 0.000 0.883 589 A CB -1.021 18.009 19.000 0.050 0.000 1.133 589 A HN 0.879 nan 8.150 nan 0.000 0.533 590 Y N -0.303 119.912 120.300 -0.143 0.000 2.512 590 Y HA 0.716 5.266 4.550 0.001 0.000 0.348 590 Y C 0.756 176.540 175.900 -0.193 0.000 0.990 590 Y CA -0.724 57.120 58.100 -0.426 0.000 1.033 590 Y CB 1.319 39.322 38.460 -0.761 0.000 1.259 590 Y HN 0.385 nan 8.280 nan 0.000 0.461 591 G N 0.654 109.374 108.800 -0.133 0.000 2.576 591 G HA2 0.374 4.335 3.960 0.001 0.000 0.210 591 G HA3 0.374 4.335 3.960 0.001 0.000 0.210 591 G C 0.428 175.408 174.900 0.133 0.000 1.143 591 G CA 0.229 45.430 45.100 0.169 0.000 0.819 591 G HN 0.950 nan 8.290 nan 0.000 0.534 592 A N 0.589 123.328 122.820 -0.134 0.000 2.313 592 A HA 0.516 4.836 4.320 0.001 0.000 0.261 592 A C -0.175 177.321 177.584 -0.146 0.000 1.090 592 A CA -0.552 51.289 52.037 -0.327 0.000 0.807 592 A CB 0.101 18.910 19.000 -0.319 0.000 1.055 592 A HN 0.351 nan 8.150 nan 0.000 0.492 593 N N 1.739 120.196 118.700 -0.404 0.000 2.468 593 N HA 0.247 4.987 4.740 0.001 0.000 0.265 593 N C -2.033 173.362 175.510 -0.190 0.000 1.199 593 N CA -0.836 51.955 53.050 -0.432 0.000 0.928 593 N CB 0.580 38.866 38.487 -0.334 0.000 1.059 593 N HN 0.422 nan 8.380 nan 0.000 0.467 594 P HA 0.016 nan 4.420 nan 0.000 0.251 594 P C 0.357 177.531 177.300 -0.210 0.000 1.223 594 P CA 0.504 63.468 63.100 -0.227 0.000 0.796 594 P CB 0.338 31.876 31.700 -0.270 0.000 1.068 595 T N 0.918 115.419 114.554 -0.090 0.000 2.788 595 T HA -0.144 4.207 4.350 0.001 0.000 0.268 595 T C 1.756 176.521 174.700 0.108 0.000 1.044 595 T CA 1.002 63.116 62.100 0.024 0.000 1.139 595 T CB -0.781 68.128 68.868 0.068 0.000 0.867 595 T HN 0.035 nan 8.240 nan 0.000 0.454 596 L N 1.138 122.435 121.223 0.123 0.000 2.046 596 L HA -0.071 4.269 4.340 0.001 0.000 0.208 596 L C 2.503 179.439 176.870 0.110 0.000 1.077 596 L CA 1.718 56.690 54.840 0.220 0.000 0.747 596 L CB -1.068 41.107 42.059 0.193 0.000 0.896 596 L HN 0.181 nan 8.230 nan 0.000 0.432 597 T N -0.234 114.262 114.554 -0.097 0.000 2.708 597 T HA -0.164 4.187 4.350 0.001 0.000 0.266 597 T C 1.927 176.544 174.700 -0.139 0.000 1.037 597 T CA 1.314 63.272 62.100 -0.236 0.000 1.146 597 T CB -0.590 67.752 68.868 -0.877 0.000 0.865 597 T HN 0.514 nan 8.240 nan 0.000 0.435 598 A N 1.482 124.221 122.820 -0.135 0.000 1.940 598 A HA -0.098 4.222 4.320 0.001 0.000 0.219 598 A C 2.317 179.871 177.584 -0.051 0.000 1.176 598 A CA 1.913 53.913 52.037 -0.061 0.000 0.631 598 A CB -0.749 18.234 19.000 -0.029 0.000 0.814 598 A HN 0.535 nan 8.150 nan 0.000 0.446 599 M N -0.347 119.229 119.600 -0.039 0.000 2.132 599 M HA -0.134 4.347 4.480 0.001 0.000 0.263 599 M C 2.144 178.361 176.300 -0.138 0.000 1.065 599 M CA 2.072 57.321 55.300 -0.085 0.000 1.122 599 M CB -0.150 32.407 32.600 -0.071 0.000 1.365 599 M HN 0.375 nan 8.290 nan 0.000 0.411 600 S N 1.222 116.848 115.700 -0.124 0.000 2.370 600 S HA -0.148 4.323 4.470 0.001 0.000 0.226 600 S C 1.747 176.179 174.600 -0.279 0.000 1.033 600 S CA 1.487 59.556 58.200 -0.218 0.000 1.011 600 S CB -0.597 62.441 63.200 -0.269 0.000 0.852 600 S HN 0.521 nan 8.310 nan 0.000 0.457 601 L N 1.023 122.118 121.223 -0.213 0.000 2.141 601 L HA -0.092 4.248 4.340 0.001 0.000 0.209 601 L C 2.751 179.500 176.870 -0.202 0.000 1.094 601 L CA 1.056 55.767 54.840 -0.214 0.000 0.763 601 L CB -0.688 41.310 42.059 -0.101 0.000 0.908 601 L HN 0.322 nan 8.230 nan 0.000 0.437 602 A N 0.342 123.029 122.820 -0.222 0.000 1.930 602 A HA -0.144 4.176 4.320 0.001 0.000 0.217 602 A C 2.228 179.498 177.584 -0.523 0.000 1.175 602 A CA 1.292 53.066 52.037 -0.439 0.000 0.627 602 A CB -0.552 18.160 19.000 -0.481 0.000 0.815 602 A HN 0.336 nan 8.150 nan 0.000 0.443 603 I N -0.457 119.903 120.570 -0.351 0.000 2.179 603 I HA -0.284 3.886 4.170 0.001 0.000 0.242 603 I C 2.546 178.518 176.117 -0.242 0.000 1.088 603 I CA 1.962 63.093 61.300 -0.280 0.000 1.357 603 I CB -0.252 37.599 38.000 -0.248 0.000 1.051 603 I HN 0.384 nan 8.210 nan 0.000 0.409 604 K N 0.551 120.804 120.400 -0.244 0.000 2.063 604 K HA -0.223 4.098 4.320 0.001 0.000 0.208 604 K C 2.339 178.873 176.600 -0.109 0.000 1.048 604 K CA 1.820 57.993 56.287 -0.190 0.000 0.928 604 K CB -0.137 32.212 32.500 -0.252 0.000 0.713 604 K HN 0.119 nan 8.250 nan 0.000 0.442 605 S N -0.070 115.555 115.700 -0.125 0.000 2.370 605 S HA -0.173 4.297 4.470 0.001 0.000 0.226 605 S C 2.010 176.570 174.600 -0.067 0.000 1.033 605 S CA 1.498 59.680 58.200 -0.030 0.000 1.011 605 S CB -0.468 62.753 63.200 0.036 0.000 0.852 605 S HN 0.584 nan 8.310 nan 0.000 0.457 606 C N 1.540 120.713 119.300 -0.213 0.000 2.435 606 C HA 0.039 4.499 4.460 0.001 0.000 0.279 606 C C 2.455 177.395 174.990 -0.084 0.000 1.321 606 C CA 0.529 59.430 59.018 -0.195 0.000 1.752 606 C CB -1.418 26.159 27.740 -0.272 0.000 1.959 606 C HN 0.678 nan 8.230 nan 0.000 0.500 607 E N -0.418 119.750 120.200 -0.053 0.000 2.110 607 E HA -0.262 4.089 4.350 0.001 0.000 0.193 607 E C 1.804 178.437 176.600 0.055 0.000 0.988 607 E CA 1.469 57.865 56.400 -0.006 0.000 0.804 607 E CB -0.305 29.382 29.700 -0.021 0.000 0.745 607 E HN 0.847 nan 8.360 nan 0.000 0.458 608 Y N 1.242 121.534 120.300 -0.014 0.000 2.200 608 Y HA -0.169 4.382 4.550 0.001 0.000 0.290 608 Y C 1.997 177.956 175.900 0.098 0.000 1.137 608 Y CA 1.293 59.428 58.100 0.059 0.000 1.163 608 Y CB -0.068 38.466 38.460 0.124 0.000 0.988 608 Y HN -0.087 nan 8.280 nan 0.000 0.518 609 I N 0.475 121.133 120.570 0.147 0.000 2.163 609 I HA -0.351 3.819 4.170 0.001 0.000 0.243 609 I C 2.085 178.261 176.117 0.099 0.000 1.085 609 I CA 1.875 63.226 61.300 0.085 0.000 1.347 609 I CB -0.350 37.488 38.000 -0.269 0.000 1.044 609 I HN 0.127 nan 8.210 nan 0.000 0.408 610 K N 0.248 120.678 120.400 0.049 0.000 2.362 610 K HA -0.134 4.186 4.320 0.001 0.000 0.200 610 K C 1.942 178.585 176.600 0.070 0.000 1.046 610 K CA 0.836 57.211 56.287 0.145 0.000 0.952 610 K CB -0.041 32.529 32.500 0.116 0.000 0.753 610 K HN 0.432 nan 8.250 nan 0.000 0.466 611 Q N -0.220 119.559 119.800 -0.036 0.000 2.398 611 Q HA 0.072 4.413 4.340 0.001 0.000 0.204 611 Q C 1.013 176.908 176.000 -0.176 0.000 0.932 611 Q CA 0.564 56.306 55.803 -0.100 0.000 0.916 611 Q CB 0.390 29.042 28.738 -0.143 0.000 1.024 611 Q HN 0.303 nan 8.270 nan 0.000 0.504 612 N N -0.919 117.647 118.700 -0.222 0.000 2.193 612 N HA 0.151 4.892 4.740 0.001 0.000 0.210 612 N C -0.805 174.394 175.510 -0.519 0.000 1.215 612 N CA 0.260 53.057 53.050 -0.420 0.000 0.901 612 N CB 0.972 39.019 38.487 -0.734 0.000 1.060 612 N HN 0.004 nan 8.380 nan 0.000 0.508 613 F N 0.475 120.439 119.950 0.024 0.000 2.565 613 F HA 0.349 4.876 4.527 0.001 0.000 0.313 613 F C 0.147 176.074 175.800 0.210 0.000 1.091 613 F CA -0.717 57.357 58.000 0.123 0.000 0.915 613 F CB 1.926 41.010 39.000 0.140 0.000 1.208 613 F HN -0.391 nan 8.300 nan 0.000 0.453 614 T N 3.951 118.679 114.554 0.290 0.000 2.767 614 T HA 0.407 4.758 4.350 0.001 0.000 0.284 614 T C -2.499 172.206 174.700 0.009 0.000 0.973 614 T CA -1.377 60.781 62.100 0.095 0.000 0.996 614 T CB 1.113 70.003 68.868 0.038 0.000 0.927 614 T HN 0.144 nan 8.240 nan 0.000 0.456 615 P HA 0.184 nan 4.420 nan 0.000 0.272 615 P C -0.117 177.102 177.300 -0.136 0.000 1.223 615 P CA -0.569 62.279 63.100 -0.421 0.000 0.784 615 P CB 0.318 31.587 31.700 -0.717 0.000 0.923 616 S N 2.023 117.685 115.700 -0.063 0.000 2.579 616 S HA 0.302 4.772 4.470 0.001 0.000 0.275 616 S C -2.075 172.507 174.600 -0.030 0.000 1.345 616 S CA -0.992 57.191 58.200 -0.029 0.000 1.031 616 S CB -0.824 62.364 63.200 -0.019 0.000 0.892 616 S HN 0.350 nan 8.310 nan 0.000 0.529 617 P HA 0.134 nan 4.420 nan 0.000 0.271 617 P C -0.679 176.685 177.300 0.108 0.000 1.216 617 P CA -0.430 62.697 63.100 0.044 0.000 0.771 617 P CB 0.124 31.847 31.700 0.038 0.000 0.864 618 F N 4.090 124.024 119.950 -0.026 0.000 2.650 618 F HA 0.086 4.613 4.527 0.001 0.000 0.338 618 F C 1.102 176.895 175.800 -0.012 0.000 1.311 618 F CA -0.229 57.762 58.000 -0.015 0.000 1.106 618 F CB -0.993 37.999 39.000 -0.012 0.000 1.500 618 F HN 0.226 nan 8.300 nan 0.000 0.670 619 T N 0.000 114.748 114.554 0.323 0.000 3.816 619 T HA 0.000 4.350 4.350 0.001 0.000 0.228 619 T CA 0.000 62.218 62.100 0.197 0.000 1.349 619 T CB 0.000 68.917 68.868 0.082 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658