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 3lsk_1_B DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWSCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.270 176.300 -0.050 0.000 1.140 43 M CA 0.000 55.272 55.300 -0.047 0.000 0.988 43 M CB 0.000 32.344 32.600 -0.427 0.000 1.302 44 D N 2.107 122.512 120.400 0.008 0.000 2.362 44 D HA 0.228 4.868 4.640 -0.000 0.000 0.242 44 D C 0.857 177.057 176.300 -0.166 0.000 1.132 44 D CA -0.251 53.629 54.000 -0.200 0.000 0.907 44 D CB 1.548 42.032 40.800 -0.528 0.000 1.195 44 D HN 0.391 nan 8.370 nan 0.000 0.429 45 I N 0.513 120.977 120.570 -0.176 0.000 3.603 45 I HA -0.017 4.153 4.170 -0.000 0.000 0.297 45 I C 0.556 176.622 176.117 -0.084 0.000 1.269 45 I CA 0.529 61.777 61.300 -0.088 0.000 1.361 45 I CB -0.550 37.417 38.000 -0.055 0.000 1.063 45 I HN 0.148 nan 8.210 nan 0.000 0.448 46 K N 0.157 120.390 120.400 -0.278 0.000 2.507 46 K HA 0.469 4.789 4.320 -0.000 0.000 0.252 46 K C -1.619 174.655 176.600 -0.544 0.000 0.943 46 K CA -0.358 55.783 56.287 -0.243 0.000 0.808 46 K CB 0.974 33.384 32.500 -0.150 0.000 1.142 46 K HN -0.139 nan 8.250 nan 0.000 0.426 47 Y N 1.067 121.358 120.300 -0.016 0.000 2.633 47 Y HA 0.291 4.841 4.550 -0.000 0.000 0.339 47 Y C 0.795 176.678 175.900 -0.029 0.000 1.045 47 Y CA -0.742 57.348 58.100 -0.017 0.000 1.098 47 Y CB 1.769 40.220 38.460 -0.014 0.000 1.296 47 Y HN 0.593 nan 8.280 nan 0.000 0.494 48 D N -0.061 120.442 120.400 0.173 0.000 2.110 48 D HA 0.045 4.685 4.640 -0.000 0.000 0.202 48 D C -0.399 175.910 176.300 0.016 0.000 0.975 48 D CA 1.442 55.521 54.000 0.132 0.000 0.839 48 D CB 0.287 41.236 40.800 0.249 0.000 0.996 48 D HN 0.111 nan 8.370 nan 0.000 0.464 49 V N 0.963 120.881 119.914 0.006 0.000 2.709 49 V HA 0.399 4.519 4.120 -0.000 0.000 0.308 49 V C -0.353 175.662 176.094 -0.132 0.000 1.062 49 V CA -1.059 61.148 62.300 -0.156 0.000 0.901 49 V CB 2.446 34.145 31.823 -0.207 0.000 1.003 49 V HN -0.008 nan 8.190 nan 0.000 0.425 50 V N 2.711 122.506 119.914 -0.197 0.000 2.555 50 V HA 0.750 4.870 4.120 -0.000 0.000 0.302 50 V C -0.647 175.403 176.094 -0.073 0.000 1.038 50 V CA -0.589 61.652 62.300 -0.099 0.000 0.887 50 V CB 1.681 33.528 31.823 0.041 0.000 0.991 50 V HN 0.692 nan 8.190 nan 0.000 0.434 51 I N 4.335 124.885 120.570 -0.034 0.000 2.406 51 I HA 0.478 4.648 4.170 -0.000 0.000 0.290 51 I C -0.536 175.610 176.117 0.048 0.000 0.999 51 I CA -0.930 60.336 61.300 -0.057 0.000 1.124 51 I CB 2.240 40.193 38.000 -0.079 0.000 1.289 51 I HN 0.464 nan 8.210 nan 0.000 0.441 52 V N 5.625 125.553 119.914 0.024 0.000 2.348 52 V HA 0.783 4.902 4.120 -0.000 0.000 0.270 52 V C 0.477 176.585 176.094 0.024 0.000 1.037 52 V CA -0.297 62.040 62.300 0.062 0.000 0.872 52 V CB 0.409 32.246 31.823 0.024 0.000 1.002 52 V HN 1.064 nan 8.190 nan 0.000 0.464 53 G N 3.968 112.796 108.800 0.048 0.000 2.906 53 G HA2 0.007 3.967 3.960 -0.000 0.000 0.686 53 G HA3 0.007 3.967 3.960 -0.000 0.000 0.686 53 G C -0.078 174.839 174.900 0.029 0.000 1.170 53 G CA -0.259 44.858 45.100 0.028 0.000 0.775 53 G HN 1.298 nan 8.290 nan 0.000 0.630 54 S N 0.872 116.590 115.700 0.030 0.000 2.664 54 S HA 0.604 5.074 4.470 -0.000 0.000 0.245 54 S C 1.345 175.954 174.600 0.015 0.000 1.019 54 S CA 0.737 58.960 58.200 0.039 0.000 0.996 54 S CB 0.587 63.824 63.200 0.061 0.000 0.878 54 S HN 2.024 nan 8.310 nan 0.000 0.493 55 G N 3.005 111.803 108.800 -0.003 0.000 2.661 55 G HA2 0.294 4.254 3.960 -0.000 0.000 0.272 55 G HA3 0.294 4.254 3.960 -0.000 0.000 0.272 55 G C -0.937 173.939 174.900 -0.040 0.000 1.296 55 G CA -0.884 44.195 45.100 -0.036 0.000 0.998 55 G HN 0.283 nan 8.290 nan 0.000 0.553 56 P HA -0.059 nan 4.420 nan 0.000 0.222 56 P C 1.652 178.910 177.300 -0.070 0.000 1.147 56 P CA 0.766 63.825 63.100 -0.067 0.000 0.790 56 P CB 0.195 31.864 31.700 -0.052 0.000 0.780 57 I N -0.027 120.527 120.570 -0.027 0.000 2.400 57 I HA -0.005 4.165 4.170 -0.000 0.000 0.248 57 I C 2.701 178.877 176.117 0.098 0.000 1.109 57 I CA 1.372 62.684 61.300 0.020 0.000 1.425 57 I CB -2.196 35.841 38.000 0.062 0.000 1.094 57 I HN -0.007 nan 8.210 nan 0.000 0.425 58 G N 0.577 109.418 108.800 0.069 0.000 2.442 58 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 58 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 58 G C 1.781 176.676 174.900 -0.008 0.000 1.141 58 G CA 1.095 46.228 45.100 0.054 0.000 0.763 58 G HN 0.398 nan 8.290 nan 0.000 0.554 59 C N 0.660 119.930 119.300 -0.051 0.000 2.422 59 C HA -0.004 4.455 4.460 -0.000 0.000 0.279 59 C C 3.211 178.067 174.990 -0.222 0.000 1.305 59 C CA 1.438 60.379 59.018 -0.129 0.000 1.757 59 C CB -1.049 26.672 27.740 -0.032 0.000 1.962 59 C HN 0.470 nan 8.230 nan 0.000 0.499 60 T N 0.002 114.455 114.554 -0.168 0.000 2.708 60 T HA -0.188 4.162 4.350 -0.000 0.000 0.266 60 T C 1.488 176.036 174.700 -0.254 0.000 1.037 60 T CA 1.714 63.689 62.100 -0.208 0.000 1.146 60 T CB -0.452 68.311 68.868 -0.176 0.000 0.865 60 T HN 0.557 nan 8.240 nan 0.000 0.435 61 Y N 1.441 121.606 120.300 -0.225 0.000 2.181 61 Y HA -0.009 4.541 4.550 -0.000 0.000 0.288 61 Y C 2.749 178.439 175.900 -0.350 0.000 1.146 61 Y CA 0.832 58.782 58.100 -0.250 0.000 1.164 61 Y CB -0.687 37.643 38.460 -0.216 0.000 0.982 61 Y HN 0.202 nan 8.280 nan 0.000 0.515 62 A N 0.199 122.829 122.820 -0.318 0.000 1.902 62 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 62 A C 2.260 179.307 177.584 -0.894 0.000 1.181 62 A CA 1.918 53.529 52.037 -0.710 0.000 0.623 62 A CB -0.728 17.564 19.000 -1.181 0.000 0.818 62 A HN 0.461 nan 8.150 nan 0.000 0.443 63 R N -0.356 119.660 120.500 -0.806 0.000 2.075 63 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 63 R C 1.938 178.043 176.300 -0.326 0.000 1.126 63 R CA 1.644 57.415 56.100 -0.550 0.000 0.963 63 R CB -0.242 29.766 30.300 -0.486 0.000 0.858 63 R HN 0.534 nan 8.270 nan 0.000 0.435 64 E N 0.540 120.576 120.200 -0.273 0.000 2.047 64 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 64 E C 2.097 178.640 176.600 -0.095 0.000 0.987 64 E CA 1.317 57.632 56.400 -0.141 0.000 0.799 64 E CB -0.021 29.593 29.700 -0.143 0.000 0.752 64 E HN 0.439 nan 8.360 nan 0.000 0.449 65 L N 0.267 121.409 121.223 -0.136 0.000 2.202 65 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 65 L C 2.512 179.436 176.870 0.091 0.000 1.083 65 L CA 0.188 55.007 54.840 -0.036 0.000 0.790 65 L CB -0.215 41.704 42.059 -0.234 0.000 0.942 65 L HN -0.068 nan 8.230 nan 0.000 0.452 66 V N 0.703 120.583 119.914 -0.056 0.000 2.343 66 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 66 V C 2.694 178.825 176.094 0.062 0.000 1.051 66 V CA 2.056 64.373 62.300 0.029 0.000 1.036 66 V CB -1.294 30.494 31.823 -0.057 0.000 0.654 66 V HN 0.565 nan 8.190 nan 0.000 0.451 67 G N -0.155 108.650 108.800 0.009 0.000 2.503 67 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.221 67 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.221 67 G C 1.439 176.365 174.900 0.043 0.000 1.131 67 G CA 1.022 46.135 45.100 0.021 0.000 0.756 67 G HN 0.675 nan 8.290 nan 0.000 0.572 68 A N -0.633 122.240 122.820 0.089 0.000 2.278 68 A HA 0.506 4.826 4.320 -0.000 0.000 0.212 68 A C 1.850 179.448 177.584 0.023 0.000 1.213 68 A CA 1.110 53.201 52.037 0.091 0.000 0.840 68 A CB -0.372 18.741 19.000 0.188 0.000 0.866 68 A HN 1.650 nan 8.150 nan 0.000 0.489 69 G N -2.233 106.598 108.800 0.053 0.000 2.176 69 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.232 69 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.232 69 G C -0.035 174.868 174.900 0.005 0.000 0.986 69 G CA 0.025 45.126 45.100 0.002 0.000 0.643 69 G HN 0.382 nan 8.290 nan 0.000 0.522 70 Y N 0.701 121.030 120.300 0.048 0.000 2.336 70 Y HA 0.440 4.990 4.550 -0.000 0.000 0.331 70 Y C 1.073 177.023 175.900 0.083 0.000 1.211 70 Y CA 0.268 58.399 58.100 0.052 0.000 1.346 70 Y CB 0.767 39.238 38.460 0.018 0.000 1.271 70 Y HN 0.115 nan 8.280 nan 0.000 0.538 71 K N 2.754 123.298 120.400 0.241 0.000 2.284 71 K HA 0.451 4.771 4.320 -0.000 0.000 0.287 71 K C -1.658 175.093 176.600 0.251 0.000 1.081 71 K CA -0.195 56.221 56.287 0.216 0.000 0.910 71 K CB 0.137 32.727 32.500 0.149 0.000 1.088 71 K HN 0.492 nan 8.250 nan 0.000 0.478 72 V N 3.291 123.337 119.914 0.221 0.000 2.513 72 V HA 0.626 4.746 4.120 -0.000 0.000 0.299 72 V C -0.373 175.668 176.094 -0.088 0.000 1.035 72 V CA -0.872 61.501 62.300 0.122 0.000 0.889 72 V CB 1.431 33.368 31.823 0.189 0.000 0.988 72 V HN 0.918 nan 8.190 nan 0.000 0.440 73 A N 5.735 128.329 122.820 -0.377 0.000 2.350 73 A HA 0.938 5.257 4.320 -0.000 0.000 0.324 73 A C -0.694 176.576 177.584 -0.524 0.000 1.118 73 A CA -0.621 50.976 52.037 -0.733 0.000 0.783 73 A CB 1.651 19.864 19.000 -1.311 0.000 1.236 73 A HN 0.897 nan 8.150 nan 0.000 0.457 74 M N 2.151 121.366 119.600 -0.641 0.000 2.395 74 M HA 0.754 5.234 4.480 -0.000 0.000 0.307 74 M C -2.160 173.823 176.300 -0.529 0.000 1.091 74 M CA -0.468 54.626 55.300 -0.343 0.000 0.919 74 M CB 1.305 33.911 32.600 0.011 0.000 1.662 74 M HN 0.596 nan 8.290 nan 0.000 0.440 75 F N 2.225 122.182 119.950 0.011 0.000 2.495 75 F HA 0.539 5.066 4.527 -0.000 0.000 0.327 75 F C -0.171 175.634 175.800 0.009 0.000 1.103 75 F CA -0.502 57.519 58.000 0.035 0.000 0.949 75 F CB 1.493 40.492 39.000 -0.002 0.000 1.142 75 F HN 0.460 nan 8.300 nan 0.000 0.457 76 D N 2.984 123.481 120.400 0.160 0.000 2.879 76 D HA 0.229 4.868 4.640 -0.000 0.000 0.236 76 D C 0.439 176.761 176.300 0.036 0.000 1.171 76 D CA -0.321 53.721 54.000 0.071 0.000 0.868 76 D CB 2.524 43.347 40.800 0.040 0.000 1.598 76 D HN 0.672 nan 8.370 nan 0.000 0.497 77 I N 1.842 122.384 120.570 -0.047 0.000 2.830 77 I HA 0.093 4.263 4.170 -0.000 0.000 0.263 77 I C 0.903 176.972 176.117 -0.081 0.000 1.230 77 I CA 0.574 61.800 61.300 -0.123 0.000 1.480 77 I CB 0.150 37.956 38.000 -0.322 0.000 1.095 77 I HN 0.289 nan 8.210 nan 0.000 0.455 78 G N 0.175 108.952 108.800 -0.038 0.000 2.531 78 G HA2 0.432 4.391 3.960 -0.000 0.000 0.313 78 G HA3 0.432 4.391 3.960 -0.000 0.000 0.313 78 G C -1.015 173.900 174.900 0.026 0.000 1.238 78 G CA -0.459 44.641 45.100 -0.001 0.000 0.994 78 G HN 0.303 nan 8.290 nan 0.000 0.493 79 E N -1.133 119.089 120.200 0.036 0.000 2.263 79 E HA 0.337 4.687 4.350 -0.000 0.000 0.264 79 E C -0.430 176.193 176.600 0.038 0.000 0.923 79 E CA -0.727 55.696 56.400 0.039 0.000 0.802 79 E CB 2.595 32.322 29.700 0.045 0.000 1.228 79 E HN 0.277 nan 8.360 nan 0.000 0.417 80 I N 3.420 124.011 120.570 0.035 0.000 2.576 80 I HA -0.066 4.104 4.170 -0.000 0.000 0.288 80 I C 0.293 176.437 176.117 0.044 0.000 1.126 80 I CA 0.309 61.631 61.300 0.036 0.000 1.362 80 I CB -0.163 37.853 38.000 0.027 0.000 1.419 80 I HN 0.575 nan 8.210 nan 0.000 0.533 81 D N 2.171 122.603 120.400 0.053 0.000 3.161 81 D HA -0.055 4.585 4.640 -0.000 0.000 0.287 81 D C 1.460 177.803 176.300 0.072 0.000 1.343 81 D CA 0.108 54.144 54.000 0.060 0.000 1.070 81 D CB -0.432 40.406 40.800 0.063 0.000 1.188 81 D HN 0.293 nan 8.370 nan 0.000 0.409 82 S N 0.009 115.762 115.700 0.088 0.000 2.498 82 S HA -0.105 4.365 4.470 -0.000 0.000 0.350 82 S C 1.105 175.769 174.600 0.107 0.000 1.250 82 S CA 1.931 60.196 58.200 0.108 0.000 1.150 82 S CB -1.107 62.152 63.200 0.097 0.000 0.711 82 S HN 1.058 nan 8.310 nan 0.000 0.615 83 G N -1.256 107.595 108.800 0.085 0.000 2.483 83 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.521 83 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.521 83 G C 0.082 175.014 174.900 0.054 0.000 1.278 83 G CA -0.262 44.883 45.100 0.075 0.000 0.965 83 G HN 0.334 nan 8.290 nan 0.000 0.504 84 L N 0.062 121.311 121.223 0.044 0.000 2.492 84 L HA 0.172 4.512 4.340 -0.000 0.000 0.223 84 L C 1.420 178.303 176.870 0.021 0.000 1.132 84 L CA 0.689 55.544 54.840 0.026 0.000 0.850 84 L CB -0.229 41.840 42.059 0.017 0.000 0.966 84 L HN 0.293 nan 8.230 nan 0.000 0.454 85 K N 1.794 122.216 120.400 0.036 0.000 2.273 85 K HA 0.323 4.643 4.320 -0.000 0.000 0.287 85 K C -0.263 176.360 176.600 0.039 0.000 1.089 85 K CA -0.257 56.048 56.287 0.031 0.000 0.909 85 K CB 1.003 33.534 32.500 0.052 0.000 1.123 85 K HN 0.089 nan 8.250 nan 0.000 0.473 86 I N 2.283 122.862 120.570 0.016 0.000 2.581 86 I HA -0.064 4.106 4.170 -0.000 0.000 0.285 86 I C 1.297 177.433 176.117 0.032 0.000 1.129 86 I CA 0.699 62.012 61.300 0.021 0.000 1.397 86 I CB 0.204 38.207 38.000 0.005 0.000 1.399 86 I HN 0.958 nan 8.210 nan 0.000 0.537 87 G N 4.432 113.260 108.800 0.048 0.000 2.160 87 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.251 87 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.251 87 G C 0.354 175.299 174.900 0.074 0.000 1.008 87 G CA 0.096 45.227 45.100 0.051 0.000 0.724 87 G HN 0.940 nan 8.290 nan 0.000 0.514 88 A N -0.460 122.422 122.820 0.103 0.000 2.280 88 A HA 0.621 4.941 4.320 -0.000 0.000 0.268 88 A C 0.535 178.242 177.584 0.205 0.000 1.111 88 A CA -0.255 51.880 52.037 0.163 0.000 0.814 88 A CB 0.313 19.410 19.000 0.161 0.000 1.093 88 A HN 0.661 nan 8.150 nan 0.000 0.498 89 H N 0.220 119.409 119.070 0.198 0.000 2.690 89 H HA 0.186 4.742 4.556 -0.000 0.000 0.314 89 H C 0.540 175.987 175.328 0.198 0.000 1.069 89 H CA 0.341 56.521 56.048 0.221 0.000 1.436 89 H CB 0.954 30.866 29.762 0.250 0.000 1.462 89 H HN 0.677 nan 8.280 nan 0.000 0.511 90 K N 3.102 123.697 120.400 0.324 0.000 2.515 90 K HA -0.105 4.214 4.320 -0.000 0.000 0.196 90 K C 1.571 178.401 176.600 0.383 0.000 1.038 90 K CA 0.892 57.410 56.287 0.386 0.000 0.967 90 K CB 0.302 33.047 32.500 0.408 0.000 0.780 90 K HN 0.519 nan 8.250 nan 0.000 0.483 91 K N -0.310 120.232 120.400 0.237 0.000 2.374 91 K HA 0.078 4.398 4.320 -0.000 0.000 0.196 91 K C 0.119 176.754 176.600 0.057 0.000 1.023 91 K CA 0.146 56.263 56.287 -0.283 0.000 1.103 91 K CB 0.350 32.022 32.500 -1.381 0.000 0.848 91 K HN -0.136 nan 8.250 nan 0.000 0.528 92 N N 2.646 121.495 118.700 0.249 0.000 2.843 92 N HA 0.006 4.746 4.740 -0.000 0.000 0.284 92 N C -0.931 174.894 175.510 0.525 0.000 1.274 92 N CA 0.327 53.615 53.050 0.396 0.000 1.045 92 N CB 0.779 39.494 38.487 0.381 0.000 1.370 92 N HN 0.431 nan 8.380 nan 0.000 0.525 93 T N -4.485 110.351 114.554 0.470 0.000 2.885 93 T HA 0.340 4.690 4.350 -0.000 0.000 0.285 93 T C 1.406 176.347 174.700 0.401 0.000 1.019 93 T CA -0.794 61.520 62.100 0.356 0.000 1.010 93 T CB 1.617 70.629 68.868 0.239 0.000 1.022 93 T HN -0.174 nan 8.240 nan 0.000 0.466 94 V N 1.423 121.462 119.914 0.207 0.000 2.332 94 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 94 V C 2.807 178.980 176.094 0.131 0.000 1.055 94 V CA 2.463 64.860 62.300 0.162 0.000 1.038 94 V CB -0.945 30.875 31.823 -0.005 0.000 0.651 94 V HN 1.053 nan 8.190 nan 0.000 0.450 95 E N -0.481 119.741 120.200 0.037 0.000 2.077 95 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 95 E C 2.002 178.564 176.600 -0.064 0.000 0.989 95 E CA 1.659 58.020 56.400 -0.064 0.000 0.800 95 E CB -0.342 29.248 29.700 -0.182 0.000 0.746 95 E HN 0.661 nan 8.360 nan 0.000 0.452 96 Y N 0.824 121.205 120.300 0.135 0.000 2.220 96 Y HA -0.041 4.509 4.550 -0.000 0.000 0.291 96 Y C 2.229 178.177 175.900 0.079 0.000 1.129 96 Y CA 1.512 59.681 58.100 0.115 0.000 1.161 96 Y CB -0.293 38.230 38.460 0.105 0.000 0.997 96 Y HN 0.164 nan 8.280 nan 0.000 0.522 97 Q N -0.151 119.790 119.800 0.235 0.000 2.436 97 Q HA -0.121 4.219 4.340 -0.000 0.000 0.209 97 Q C 1.520 177.605 176.000 0.140 0.000 0.965 97 Q CA 0.870 56.769 55.803 0.160 0.000 0.910 97 Q CB -0.090 28.721 28.738 0.121 0.000 0.980 97 Q HN 0.437 nan 8.270 nan 0.000 0.491 98 K N 0.428 120.906 120.400 0.129 0.000 2.426 98 K HA 0.078 4.398 4.320 -0.000 0.000 0.193 98 K C 0.084 176.729 176.600 0.076 0.000 1.028 98 K CA 0.259 56.598 56.287 0.087 0.000 1.047 98 K CB 0.496 33.032 32.500 0.060 0.000 0.821 98 K HN 0.134 nan 8.250 nan 0.000 0.513 99 N N 0.960 119.724 118.700 0.107 0.000 2.697 99 N HA 0.032 4.771 4.740 -0.000 0.000 0.253 99 N C -0.079 175.537 175.510 0.177 0.000 1.604 99 N CA 0.032 53.149 53.050 0.111 0.000 0.772 99 N CB 1.054 39.595 38.487 0.089 0.000 1.267 99 N HN -0.026 nan 8.380 nan 0.000 0.510 100 I N 1.229 121.885 120.570 0.143 0.000 2.394 100 I HA -0.139 4.031 4.170 -0.000 0.000 0.251 100 I C 1.519 177.726 176.117 0.149 0.000 1.136 100 I CA 1.550 62.937 61.300 0.146 0.000 1.425 100 I CB 0.033 38.076 38.000 0.071 0.000 1.079 100 I HN 0.207 nan 8.210 nan 0.000 0.425 101 D N 0.850 121.319 120.400 0.115 0.000 2.190 101 D HA -0.209 4.431 4.640 -0.000 0.000 0.200 101 D C 1.784 178.152 176.300 0.114 0.000 0.992 101 D CA 0.948 55.004 54.000 0.093 0.000 0.854 101 D CB -0.178 40.666 40.800 0.073 0.000 0.936 101 D HN 0.386 nan 8.370 nan 0.000 0.462 102 K N 0.344 120.853 120.400 0.183 0.000 2.283 102 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 102 K C 1.843 178.552 176.600 0.182 0.000 1.048 102 K CA 0.030 56.447 56.287 0.216 0.000 0.948 102 K CB -0.476 32.213 32.500 0.315 0.000 0.742 102 K HN 0.202 nan 8.250 nan 0.000 0.458 103 F N 1.513 121.444 119.950 -0.032 0.000 2.293 103 F HA -0.158 4.369 4.527 -0.000 0.000 0.300 103 F C 2.131 177.810 175.800 -0.202 0.000 1.086 103 F CA 0.444 58.267 58.000 -0.296 0.000 1.375 103 F CB -0.254 38.544 39.000 -0.336 0.000 1.045 103 F HN -0.200 nan 8.300 nan 0.000 0.516 104 V N 0.627 120.485 119.914 -0.094 0.000 2.380 104 V HA -0.373 3.747 4.120 -0.000 0.000 0.251 104 V C 1.780 177.744 176.094 -0.217 0.000 1.063 104 V CA 2.866 65.072 62.300 -0.157 0.000 1.055 104 V CB -0.650 31.133 31.823 -0.066 0.000 0.657 104 V HN 0.492 nan 8.190 nan 0.000 0.455 105 N N -0.379 118.221 118.700 -0.166 0.000 2.142 105 N HA -0.116 4.623 4.740 -0.000 0.000 0.186 105 N C 1.729 177.099 175.510 -0.233 0.000 1.023 105 N CA 1.489 54.455 53.050 -0.140 0.000 0.852 105 N CB -0.295 38.164 38.487 -0.048 0.000 0.998 105 N HN 0.421 nan 8.380 nan 0.000 0.424 106 V N 1.419 121.098 119.914 -0.391 0.000 2.332 106 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 106 V C 2.041 177.830 176.094 -0.508 0.000 1.055 106 V CA 1.501 63.513 62.300 -0.480 0.000 1.038 106 V CB -0.492 30.836 31.823 -0.826 0.000 0.651 106 V HN 0.312 nan 8.190 nan 0.000 0.450 107 I N -0.432 119.738 120.570 -0.667 0.000 2.202 107 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 107 I C 2.658 178.560 176.117 -0.359 0.000 1.091 107 I CA 1.557 62.502 61.300 -0.592 0.000 1.368 107 I CB -0.378 37.270 38.000 -0.587 0.000 1.058 107 I HN 0.343 nan 8.210 nan 0.000 0.410 108 Q N 0.462 120.112 119.800 -0.250 0.000 2.170 108 Q HA -0.141 4.199 4.340 -0.000 0.000 0.203 108 Q C 2.276 178.211 176.000 -0.107 0.000 0.976 108 Q CA 1.498 57.218 55.803 -0.139 0.000 0.858 108 Q CB -0.464 28.220 28.738 -0.090 0.000 0.907 108 Q HN 0.631 nan 8.270 nan 0.000 0.433 109 G N 1.194 109.921 108.800 -0.122 0.000 2.498 109 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 109 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 109 G C 1.018 175.889 174.900 -0.048 0.000 1.119 109 G CA 0.818 45.874 45.100 -0.072 0.000 0.766 109 G HN 0.498 nan 8.290 nan 0.000 0.552 110 Q N -0.795 118.964 119.800 -0.069 0.000 2.110 110 Q HA 0.402 4.742 4.340 -0.000 0.000 0.232 110 Q C -0.318 175.691 176.000 0.014 0.000 0.810 110 Q CA -0.292 55.507 55.803 -0.008 0.000 1.083 110 Q CB 0.124 28.874 28.738 0.021 0.000 1.193 110 Q HN 0.240 nan 8.270 nan 0.000 0.471 111 L N 2.020 123.231 121.223 -0.020 0.000 2.276 111 L HA 0.530 4.870 4.340 -0.000 0.000 0.286 111 L C -0.911 175.982 176.870 0.038 0.000 1.024 111 L CA -0.792 54.058 54.840 0.017 0.000 0.826 111 L CB 1.321 43.365 42.059 -0.025 0.000 1.211 111 L HN 0.224 nan 8.230 nan 0.000 0.422 112 M N 2.344 121.988 119.600 0.074 0.000 2.101 112 M HA 0.277 4.757 4.480 -0.000 0.000 0.340 112 M C 0.165 176.515 176.300 0.083 0.000 1.057 112 M CA 0.006 55.353 55.300 0.078 0.000 0.984 112 M CB 1.639 34.303 32.600 0.107 0.000 1.560 112 M HN 0.331 nan 8.290 nan 0.000 0.435 113 S N 1.690 117.425 115.700 0.059 0.000 2.558 113 S HA 0.107 4.577 4.470 -0.000 0.000 0.288 113 S C 1.357 175.998 174.600 0.069 0.000 1.318 113 S CA -0.573 57.660 58.200 0.055 0.000 1.056 113 S CB 0.683 63.901 63.200 0.031 0.000 0.853 113 S HN 0.591 nan 8.310 nan 0.000 0.505 114 V N 1.960 121.925 119.914 0.085 0.000 2.599 114 V HA 0.100 4.220 4.120 -0.000 0.000 0.245 114 V C 1.013 177.114 176.094 0.011 0.000 1.046 114 V CA 1.138 63.480 62.300 0.071 0.000 1.065 114 V CB 0.540 32.448 31.823 0.142 0.000 0.703 114 V HN 0.791 nan 8.190 nan 0.000 0.464 115 S N -0.311 115.415 115.700 0.044 0.000 2.706 115 S HA 0.476 4.946 4.470 -0.000 0.000 0.270 115 S C -1.146 173.456 174.600 0.004 0.000 1.163 115 S CA -0.443 57.747 58.200 -0.017 0.000 1.042 115 S CB 1.472 64.638 63.200 -0.058 0.000 1.079 115 S HN -0.028 nan 8.310 nan 0.000 0.474 116 V N 7.553 127.457 119.914 -0.016 0.000 2.328 116 V HA 0.512 4.632 4.120 -0.000 0.000 0.278 116 V C -1.956 174.118 176.094 -0.033 0.000 1.021 116 V CA -1.828 60.460 62.300 -0.020 0.000 0.838 116 V CB 1.083 32.895 31.823 -0.017 0.000 0.999 116 V HN 0.688 nan 8.190 nan 0.000 0.447 117 P HA 0.104 nan 4.420 nan 0.000 0.270 117 P C -0.083 177.190 177.300 -0.046 0.000 1.223 117 P CA -0.041 63.035 63.100 -0.039 0.000 0.785 117 P CB 0.806 32.483 31.700 -0.039 0.000 0.923 118 V N 2.555 122.444 119.914 -0.040 0.000 2.599 118 V HA -0.030 4.090 4.120 -0.000 0.000 0.300 118 V C 1.316 177.358 176.094 -0.088 0.000 1.034 118 V CA 0.099 62.373 62.300 -0.044 0.000 1.115 118 V CB -0.563 31.257 31.823 -0.004 0.000 0.934 118 V HN 0.618 nan 8.190 nan 0.000 0.485 119 N N 3.536 122.176 118.700 -0.100 0.000 2.470 119 N HA 0.063 4.803 4.740 -0.000 0.000 0.268 119 N C 0.522 175.865 175.510 -0.279 0.000 1.136 119 N CA 0.344 53.308 53.050 -0.144 0.000 0.961 119 N CB 1.382 39.813 38.487 -0.094 0.000 1.067 119 N HN 0.877 nan 8.380 nan 0.000 0.468 120 T N 1.501 115.768 114.554 -0.478 0.000 3.331 120 T HA 0.279 4.629 4.350 -0.000 0.000 0.282 120 T C 0.697 174.993 174.700 -0.674 0.000 1.010 120 T CA -0.520 60.899 62.100 -1.135 0.000 0.928 120 T CB -0.497 67.727 68.868 -1.073 0.000 1.154 120 T HN 0.274 nan 8.240 nan 0.000 0.516 121 L N 1.548 122.616 121.223 -0.259 0.000 2.426 121 L HA 0.434 4.773 4.340 -0.000 0.000 0.271 121 L C 0.098 177.016 176.870 0.079 0.000 1.169 121 L CA -0.847 53.946 54.840 -0.078 0.000 0.836 121 L CB 1.056 43.094 42.059 -0.034 0.000 1.112 121 L HN 0.096 nan 8.230 nan 0.000 0.465 122 V N 4.292 124.269 119.914 0.105 0.000 2.407 122 V HA 0.209 4.329 4.120 -0.000 0.000 0.278 122 V C 0.096 176.254 176.094 0.107 0.000 1.037 122 V CA -0.452 61.956 62.300 0.180 0.000 0.900 122 V CB 1.699 33.611 31.823 0.149 0.000 0.983 122 V HN 0.415 nan 8.190 nan 0.000 0.459 123 V N 5.220 125.198 119.914 0.107 0.000 2.284 123 V HA 0.317 4.436 4.120 -0.000 0.000 0.274 123 V C 0.064 176.191 176.094 0.054 0.000 1.023 123 V CA -0.497 61.845 62.300 0.071 0.000 0.808 123 V CB 1.243 33.110 31.823 0.074 0.000 1.035 123 V HN 1.069 nan 8.190 nan 0.000 0.445 124 D N 1.726 122.150 120.400 0.039 0.000 2.462 124 D HA 0.018 4.657 4.640 -0.000 0.000 0.221 124 D C 1.141 177.450 176.300 0.016 0.000 1.173 124 D CA 0.206 54.220 54.000 0.022 0.000 0.831 124 D CB 0.383 41.194 40.800 0.019 0.000 1.001 124 D HN 0.540 nan 8.370 nan 0.000 0.499 125 T N -1.922 112.645 114.554 0.021 0.000 3.266 125 T HA 0.324 4.674 4.350 -0.000 0.000 0.278 125 T C 0.542 175.255 174.700 0.021 0.000 1.010 125 T CA -0.587 61.523 62.100 0.017 0.000 0.909 125 T CB -0.287 68.592 68.868 0.018 0.000 1.122 125 T HN 0.027 nan 8.240 nan 0.000 0.536 126 L N 2.092 123.328 121.223 0.023 0.000 2.467 126 L HA 0.322 4.662 4.340 -0.000 0.000 0.270 126 L C 1.178 178.059 176.870 0.019 0.000 1.205 126 L CA -0.513 54.344 54.840 0.029 0.000 0.828 126 L CB 0.679 42.760 42.059 0.036 0.000 1.101 126 L HN 0.342 nan 8.230 nan 0.000 0.479 127 S N 2.365 118.079 115.700 0.023 0.000 2.563 127 S HA 0.073 4.542 4.470 -0.000 0.000 0.284 127 S C -1.478 173.126 174.600 0.007 0.000 1.331 127 S CA -0.949 57.260 58.200 0.016 0.000 1.047 127 S CB 0.788 64.000 63.200 0.021 0.000 0.859 127 S HN 0.407 nan 8.310 nan 0.000 0.514 128 P HA -0.047 nan 4.420 nan 0.000 0.222 128 P C 1.364 178.659 177.300 -0.010 0.000 1.147 128 P CA 1.280 64.371 63.100 -0.014 0.000 0.790 128 P CB -0.268 31.424 31.700 -0.013 0.000 0.780 129 T N -5.345 109.212 114.554 0.006 0.000 3.085 129 T HA 0.089 4.439 4.350 -0.000 0.000 0.263 129 T C 1.014 175.738 174.700 0.039 0.000 1.127 129 T CA 0.118 62.228 62.100 0.018 0.000 1.103 129 T CB -0.596 68.286 68.868 0.023 0.000 0.921 129 T HN -0.113 nan 8.240 nan 0.000 0.510 130 S N 1.063 116.791 115.700 0.045 0.000 2.584 130 S HA 0.349 4.819 4.470 -0.000 0.000 0.273 130 S C -0.636 174.028 174.600 0.108 0.000 1.311 130 S CA -1.016 57.239 58.200 0.092 0.000 1.034 130 S CB 0.249 63.503 63.200 0.089 0.000 0.939 130 S HN 0.612 nan 8.310 nan 0.000 0.513 131 W N 3.090 124.400 121.300 0.017 0.000 2.322 131 W HA 0.183 4.843 4.660 -0.000 0.000 0.328 131 W C 0.237 176.774 176.519 0.030 0.000 1.395 131 W CA 0.298 57.653 57.345 0.016 0.000 1.267 131 W CB 0.182 29.652 29.460 0.017 0.000 1.259 131 W HN 0.527 nan 8.180 nan 0.000 0.560 132 Q N 5.367 124.804 119.800 -0.605 0.000 2.321 132 Q HA 0.601 4.941 4.340 -0.000 0.000 0.270 132 Q C -0.712 174.807 176.000 -0.801 0.000 1.032 132 Q CA -0.821 54.721 55.803 -0.436 0.000 0.784 132 Q CB 1.646 30.227 28.738 -0.262 0.000 1.264 132 Q HN 0.603 nan 8.270 nan 0.000 0.448 133 A N 2.432 125.031 122.820 -0.368 0.000 2.351 133 A HA 0.357 4.677 4.320 -0.000 0.000 0.257 133 A C 0.376 177.836 177.584 -0.207 0.000 1.087 133 A CA -0.171 51.739 52.037 -0.212 0.000 0.798 133 A CB 0.938 20.133 19.000 0.325 0.000 1.033 133 A HN 0.874 nan 8.150 nan 0.000 0.488 134 S N -0.785 114.821 115.700 -0.158 0.000 2.502 134 S HA 0.138 4.607 4.470 -0.000 0.000 0.215 134 S C 0.774 175.283 174.600 -0.152 0.000 1.009 134 S CA 0.780 58.885 58.200 -0.158 0.000 0.908 134 S CB 0.044 63.166 63.200 -0.130 0.000 0.801 134 S HN 1.094 nan 8.310 nan 0.000 0.505 135 T N -1.086 113.432 114.554 -0.060 0.000 2.887 135 T HA 0.641 4.991 4.350 -0.000 0.000 0.292 135 T C -0.862 173.814 174.700 -0.040 0.000 1.087 135 T CA -0.728 61.316 62.100 -0.093 0.000 1.009 135 T CB 0.716 69.626 68.868 0.070 0.000 1.203 135 T HN -0.076 nan 8.240 nan 0.000 0.518 136 F N 2.986 123.015 119.950 0.131 0.000 2.619 136 F HA 0.375 4.902 4.527 -0.000 0.000 0.350 136 F C 0.411 176.260 175.800 0.082 0.000 1.259 136 F CA -1.830 56.203 58.000 0.054 0.000 1.204 136 F CB -1.068 37.939 39.000 0.012 0.000 1.556 136 F HN 0.555 nan 8.300 nan 0.000 0.650 137 F N -0.769 119.288 119.950 0.177 0.000 2.375 137 F HA 0.602 5.128 4.527 -0.000 0.000 0.313 137 F C -0.031 175.840 175.800 0.118 0.000 1.176 137 F CA -1.629 56.448 58.000 0.130 0.000 1.142 137 F CB -0.030 39.039 39.000 0.115 0.000 1.275 137 F HN -0.168 nan 8.300 nan 0.000 0.544 138 V N 3.155 123.202 119.914 0.222 0.000 2.390 138 V HA 0.200 4.320 4.120 -0.000 0.000 0.260 138 V C 0.133 176.244 176.094 0.028 0.000 1.043 138 V CA 0.113 62.463 62.300 0.084 0.000 1.047 138 V CB -1.073 30.821 31.823 0.117 0.000 1.066 138 V HN 0.678 nan 8.190 nan 0.000 0.481 139 R N 3.930 124.352 120.500 -0.130 0.000 2.787 139 R HA 0.493 4.833 4.340 -0.000 0.000 0.271 139 R C 0.476 176.745 176.300 -0.053 0.000 0.993 139 R CA -0.889 55.135 56.100 -0.126 0.000 0.993 139 R CB 0.847 30.979 30.300 -0.281 0.000 1.155 139 R HN 0.672 nan 8.270 nan 0.000 0.486 140 N N 0.752 119.439 118.700 -0.022 0.000 2.716 140 N HA -0.205 4.535 4.740 -0.000 0.000 0.250 140 N C 0.371 175.875 175.510 -0.011 0.000 1.033 140 N CA 1.500 54.541 53.050 -0.016 0.000 0.727 140 N CB -1.286 37.186 38.487 -0.024 0.000 0.950 140 N HN 1.068 nan 8.380 nan 0.000 0.541 141 G N -1.739 107.060 108.800 -0.003 0.000 2.147 141 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.244 141 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.244 141 G C 0.242 175.140 174.900 -0.003 0.000 1.005 141 G CA 0.749 45.850 45.100 0.001 0.000 0.713 141 G HN 1.267 nan 8.290 nan 0.000 0.515 142 S N -0.869 114.825 115.700 -0.010 0.000 2.632 142 S HA 0.611 5.081 4.470 -0.000 0.000 0.271 142 S C -0.037 174.554 174.600 -0.015 0.000 1.260 142 S CA -0.363 57.825 58.200 -0.019 0.000 1.010 142 S CB 2.049 65.231 63.200 -0.031 0.000 0.965 142 S HN 0.524 nan 8.310 nan 0.000 0.534 143 N N 2.044 120.727 118.700 -0.028 0.000 2.546 143 N HA 0.385 5.125 4.740 -0.000 0.000 0.238 143 N C -1.734 173.760 175.510 -0.026 0.000 0.984 143 N CA -2.505 50.521 53.050 -0.039 0.000 0.935 143 N CB 1.250 39.686 38.487 -0.085 0.000 1.122 143 N HN 0.374 nan 8.380 nan 0.000 0.510 144 P HA -0.059 nan 4.420 nan 0.000 0.230 144 P C 0.350 177.671 177.300 0.035 0.000 1.158 144 P CA 0.830 63.946 63.100 0.028 0.000 0.769 144 P CB 0.568 32.299 31.700 0.052 0.000 0.807 145 E N -0.137 120.070 120.200 0.012 0.000 2.274 145 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 145 E C 0.952 177.557 176.600 0.008 0.000 0.996 145 E CA 0.679 57.102 56.400 0.038 0.000 0.840 145 E CB -0.240 29.427 29.700 -0.056 0.000 0.772 145 E HN 0.308 nan 8.360 nan 0.000 0.491 146 Q N 2.247 122.015 119.800 -0.054 0.000 2.307 146 Q HA 0.027 4.367 4.340 -0.000 0.000 0.259 146 Q C -0.908 175.094 176.000 0.002 0.000 0.998 146 Q CA -0.153 55.617 55.803 -0.056 0.000 0.923 146 Q CB 0.737 29.429 28.738 -0.076 0.000 1.196 146 Q HN -0.182 nan 8.270 nan 0.000 0.416 147 D N 6.264 126.683 120.400 0.032 0.000 2.358 147 D HA 0.073 4.713 4.640 -0.000 0.000 0.258 147 D C -1.687 174.622 176.300 0.014 0.000 1.223 147 D CA -1.946 52.073 54.000 0.032 0.000 0.886 147 D CB 1.229 42.061 40.800 0.054 0.000 1.120 147 D HN 0.412 nan 8.370 nan 0.000 0.482 148 P HA -0.120 nan 4.420 nan 0.000 0.220 148 P C 1.289 178.582 177.300 -0.012 0.000 1.148 148 P CA 0.822 63.912 63.100 -0.016 0.000 0.803 148 P CB 0.258 31.937 31.700 -0.035 0.000 0.782 149 L N -1.308 119.913 121.223 -0.005 0.000 2.591 149 L HA 0.140 4.480 4.340 -0.000 0.000 0.228 149 L C 1.455 178.328 176.870 0.005 0.000 1.133 149 L CA 0.331 55.169 54.840 -0.004 0.000 0.880 149 L CB -0.352 41.703 42.059 -0.007 0.000 1.033 149 L HN -0.158 nan 8.230 nan 0.000 0.450 150 R N -0.226 120.285 120.500 0.019 0.000 2.711 150 R HA 0.211 4.551 4.340 -0.000 0.000 0.350 150 R C -0.462 175.877 176.300 0.064 0.000 1.146 150 R CA -0.274 55.848 56.100 0.037 0.000 1.190 150 R CB 0.357 30.683 30.300 0.044 0.000 1.312 150 R HN 0.047 nan 8.270 nan 0.000 0.635 151 N N 0.555 119.269 118.700 0.023 0.000 2.483 151 N HA 0.390 5.130 4.740 -0.000 0.000 0.285 151 N C -0.670 174.739 175.510 -0.169 0.000 1.210 151 N CA -0.617 52.431 53.050 -0.004 0.000 0.931 151 N CB 1.235 39.718 38.487 -0.008 0.000 1.220 151 N HN 0.110 nan 8.380 nan 0.000 0.542 152 L N 1.978 122.956 121.223 -0.408 0.000 2.494 152 L HA 0.204 4.544 4.340 -0.000 0.000 0.251 152 L C 1.463 178.132 176.870 -0.334 0.000 1.119 152 L CA -0.265 54.199 54.840 -0.627 0.000 1.026 152 L CB 0.493 41.764 42.059 -1.312 0.000 1.370 152 L HN 0.638 nan 8.230 nan 0.000 0.426 153 S N -0.141 115.456 115.700 -0.171 0.000 2.442 153 S HA -0.107 4.363 4.470 -0.000 0.000 0.236 153 S C 1.718 176.270 174.600 -0.081 0.000 1.007 153 S CA 1.078 59.227 58.200 -0.085 0.000 0.965 153 S CB -0.076 63.086 63.200 -0.064 0.000 0.773 153 S HN 0.632 nan 8.310 nan 0.000 0.504 154 G N 0.232 108.961 108.800 -0.118 0.000 2.777 154 G HA2 0.125 4.084 3.960 -0.000 0.000 0.211 154 G HA3 0.125 4.084 3.960 -0.000 0.000 0.211 154 G C 0.543 175.402 174.900 -0.068 0.000 1.149 154 G CA -0.341 44.706 45.100 -0.089 0.000 0.785 154 G HN 0.380 nan 8.290 nan 0.000 0.536 155 Q N 0.649 120.382 119.800 -0.111 0.000 2.315 155 Q HA 0.457 4.796 4.340 -0.000 0.000 0.289 155 Q C -0.037 175.996 176.000 0.054 0.000 1.044 155 Q CA 0.418 56.196 55.803 -0.042 0.000 0.920 155 Q CB 1.274 29.951 28.738 -0.100 0.000 1.214 155 Q HN 0.318 nan 8.270 nan 0.000 0.392 156 A N 1.922 124.791 122.820 0.081 0.000 2.609 156 A HA 0.756 5.076 4.320 -0.000 0.000 0.291 156 A C -1.045 176.615 177.584 0.127 0.000 1.096 156 A CA -0.440 51.655 52.037 0.096 0.000 0.684 156 A CB 1.322 20.367 19.000 0.074 0.000 1.282 156 A HN 0.497 nan 8.150 nan 0.000 0.412 157 V N -2.494 117.507 119.914 0.144 0.000 3.102 157 V HA 0.962 5.082 4.120 -0.000 0.000 0.312 157 V C -0.541 175.653 176.094 0.167 0.000 1.135 157 V CA -0.560 61.847 62.300 0.177 0.000 1.022 157 V CB 1.613 33.586 31.823 0.250 0.000 1.056 157 V HN 0.948 nan 8.190 nan 0.000 0.436 158 T N 2.241 116.891 114.554 0.160 0.000 2.841 158 T HA 0.579 4.929 4.350 -0.000 0.000 0.285 158 T C -0.439 174.312 174.700 0.085 0.000 0.991 158 T CA -0.485 61.694 62.100 0.132 0.000 0.966 158 T CB 1.213 70.182 68.868 0.168 0.000 0.962 158 T HN 0.774 nan 8.240 nan 0.000 0.438 159 R N 2.571 123.108 120.500 0.063 0.000 2.423 159 R HA 0.617 4.957 4.340 -0.000 0.000 0.293 159 R C -0.649 175.667 176.300 0.027 0.000 1.196 159 R CA -0.604 55.505 56.100 0.014 0.000 1.262 159 R CB 0.680 30.964 30.300 -0.027 0.000 1.116 159 R HN 0.513 nan 8.270 nan 0.000 0.566 160 V N -1.927 118.001 119.914 0.024 0.000 3.178 160 V HA 0.417 4.536 4.120 -0.000 0.000 0.302 160 V C -0.034 176.072 176.094 0.021 0.000 1.262 160 V CA -1.223 61.095 62.300 0.030 0.000 1.030 160 V CB 1.848 33.696 31.823 0.041 0.000 1.074 160 V HN 0.124 nan 8.190 nan 0.000 0.438 161 V N 2.908 122.838 119.914 0.026 0.000 2.540 161 V HA 0.488 4.608 4.120 -0.000 0.000 0.297 161 V C 1.700 177.806 176.094 0.019 0.000 1.024 161 V CA 1.926 64.242 62.300 0.026 0.000 1.105 161 V CB 0.066 31.909 31.823 0.033 0.000 0.938 161 V HN 2.132 nan 8.190 nan 0.000 0.482 162 G N 3.352 112.157 108.800 0.010 0.000 2.175 162 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.244 162 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.244 162 G C 0.989 175.850 174.900 -0.065 0.000 0.982 162 G CA 0.314 45.404 45.100 -0.017 0.000 0.641 162 G HN 2.097 nan 8.290 nan 0.000 0.527 163 G N 0.063 108.836 108.800 -0.044 0.000 2.614 163 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.303 163 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.303 163 G C 1.245 176.065 174.900 -0.133 0.000 1.270 163 G CA 1.338 46.404 45.100 -0.056 0.000 0.988 163 G HN 1.056 nan 8.290 nan 0.000 0.551 164 M N 1.531 121.010 119.600 -0.203 0.000 2.476 164 M HA -0.007 4.473 4.480 -0.000 0.000 0.262 164 M C 2.807 178.719 176.300 -0.647 0.000 1.079 164 M CA 1.754 56.774 55.300 -0.467 0.000 1.104 164 M CB -0.270 32.164 32.600 -0.276 0.000 1.409 164 M HN 0.753 nan 8.290 nan 0.000 0.467 165 S N -0.022 115.351 115.700 -0.545 0.000 2.500 165 S HA -0.099 4.371 4.470 -0.000 0.000 0.239 165 S C 1.720 176.134 174.600 -0.310 0.000 0.989 165 S CA 1.435 59.200 58.200 -0.726 0.000 0.951 165 S CB -1.041 61.765 63.200 -0.658 0.000 0.759 165 S HN 0.598 nan 8.310 nan 0.000 0.523 166 T N -0.725 113.664 114.554 -0.275 0.000 3.085 166 T HA -0.018 4.332 4.350 -0.000 0.000 0.263 166 T C 1.483 175.995 174.700 -0.314 0.000 1.127 166 T CA 1.008 62.980 62.100 -0.212 0.000 1.103 166 T CB -0.711 68.129 68.868 -0.047 0.000 0.921 166 T HN 0.934 nan 8.240 nan 0.000 0.510 167 H N -2.048 116.901 119.070 -0.202 0.000 3.643 167 H HA 0.196 4.752 4.556 -0.000 0.000 0.256 167 H C 0.726 176.171 175.328 0.195 0.000 1.107 167 H CA -0.956 55.112 56.048 0.032 0.000 1.175 167 H CB -0.447 29.318 29.762 0.005 0.000 1.519 167 H HN 0.476 nan 8.280 nan 0.000 0.565 168 W N 3.596 124.806 121.300 -0.149 0.000 2.089 168 W HA 0.219 4.878 4.660 -0.000 0.000 0.355 168 W C 0.762 177.289 176.519 0.013 0.000 1.305 168 W CA 0.173 57.524 57.345 0.011 0.000 1.281 168 W CB -0.041 29.383 29.460 -0.060 0.000 1.183 168 W HN 0.113 nan 8.180 nan 0.000 0.604 169 S N -0.536 115.025 115.700 -0.231 0.000 2.605 169 S HA 0.131 4.601 4.470 -0.000 0.000 0.217 169 S C 0.797 174.951 174.600 -0.743 0.000 0.958 169 S CA 0.347 58.193 58.200 -0.590 0.000 0.919 169 S CB -1.014 61.839 63.200 -0.577 0.000 0.780 169 S HN 0.793 nan 8.310 nan 0.000 0.507 170 C N 0.650 119.174 119.300 -1.292 0.000 4.497 170 C HA -0.112 4.348 4.460 -0.000 0.000 0.268 170 C C 1.088 175.638 174.990 -0.733 0.000 1.343 170 C CA -0.170 57.871 59.018 -1.628 0.000 1.742 170 C CB -2.787 24.446 27.740 -0.845 0.000 1.450 170 C HN 0.983 nan 8.230 nan 0.000 0.733 171 A N 1.132 123.723 122.820 -0.381 0.000 2.404 171 A HA 0.552 4.872 4.320 -0.000 0.000 0.273 171 A C 0.765 178.292 177.584 -0.094 0.000 1.144 171 A CA 1.110 53.063 52.037 -0.140 0.000 0.806 171 A CB 0.186 19.177 19.000 -0.014 0.000 1.080 171 A HN 1.365 nan 8.150 nan 0.000 0.509 172 T N 1.652 116.164 114.554 -0.069 0.000 3.401 172 T HA 0.548 4.898 4.350 -0.000 0.000 0.341 172 T C -2.772 171.907 174.700 -0.035 0.000 1.674 172 T CA -1.566 60.530 62.100 -0.008 0.000 1.600 172 T CB 0.577 69.469 68.868 0.040 0.000 0.974 172 T HN 0.424 nan 8.240 nan 0.000 0.672 173 P HA 0.451 nan 4.420 nan 0.000 0.279 173 P C -0.188 176.999 177.300 -0.188 0.000 1.252 173 P CA -0.745 62.283 63.100 -0.119 0.000 0.811 173 P CB 1.146 32.763 31.700 -0.139 0.000 1.035 174 R N 0.499 120.807 120.500 -0.319 0.000 2.500 174 R HA 0.430 4.770 4.340 -0.000 0.000 0.275 174 R C 0.019 176.214 176.300 -0.174 0.000 1.051 174 R CA -0.485 55.235 56.100 -0.634 0.000 1.088 174 R CB 0.244 30.049 30.300 -0.825 0.000 1.063 174 R HN 0.371 nan 8.270 nan 0.000 0.511 175 F N 1.514 121.252 119.950 -0.354 0.000 2.389 175 F HA 0.071 4.598 4.527 -0.000 0.000 0.337 175 F C 1.013 176.632 175.800 -0.302 0.000 1.112 175 F CA -1.378 56.432 58.000 -0.317 0.000 1.192 175 F CB 0.390 39.191 39.000 -0.332 0.000 1.185 175 F HN 0.541 nan 8.300 nan 0.000 0.552 176 D N 1.506 121.827 120.400 -0.132 0.000 2.451 176 D HA 0.200 4.840 4.640 -0.000 0.000 0.259 176 D C 1.025 177.239 176.300 -0.144 0.000 1.201 176 D CA -0.507 53.421 54.000 -0.120 0.000 1.028 176 D CB 0.530 41.277 40.800 -0.088 0.000 1.095 176 D HN 0.421 nan 8.370 nan 0.000 0.539 177 R N -0.451 119.991 120.500 -0.096 0.000 2.103 177 R HA -0.196 4.144 4.340 -0.000 0.000 0.242 177 R C 2.014 178.263 176.300 -0.085 0.000 1.142 177 R CA 1.796 57.848 56.100 -0.080 0.000 0.960 177 R CB -0.240 30.048 30.300 -0.021 0.000 0.858 177 R HN 0.665 nan 8.270 nan 0.000 0.439 178 E N 0.529 120.677 120.200 -0.087 0.000 2.204 178 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 178 E C 1.578 178.084 176.600 -0.156 0.000 0.989 178 E CA 1.018 57.379 56.400 -0.065 0.000 0.824 178 E CB 0.238 29.955 29.700 0.028 0.000 0.756 178 E HN 0.407 nan 8.360 nan 0.000 0.477 179 Q N -0.452 119.154 119.800 -0.323 0.000 2.408 179 Q HA 0.095 4.435 4.340 -0.000 0.000 0.205 179 Q C 0.425 176.347 176.000 -0.129 0.000 0.919 179 Q CA -0.039 55.522 55.803 -0.404 0.000 0.932 179 Q CB 0.522 28.726 28.738 -0.890 0.000 1.058 179 Q HN -0.053 nan 8.270 nan 0.000 0.517 180 R N 2.354 122.796 120.500 -0.097 0.000 2.312 180 R HA 0.230 4.570 4.340 -0.000 0.000 0.311 180 R C -2.372 173.888 176.300 -0.067 0.000 1.004 180 R CA -2.061 53.952 56.100 -0.146 0.000 0.902 180 R CB 0.794 30.819 30.300 -0.458 0.000 1.073 180 R HN -0.080 nan 8.270 nan 0.000 0.457 181 P HA -0.041 nan 4.420 nan 0.000 0.269 181 P C -0.692 176.754 177.300 0.242 0.000 1.217 181 P CA 0.106 63.276 63.100 0.117 0.000 0.783 181 P CB 0.671 32.458 31.700 0.144 0.000 0.898 182 L N 1.805 123.152 121.223 0.205 0.000 2.350 182 L HA 0.223 4.563 4.340 -0.000 0.000 0.275 182 L C 1.743 178.763 176.870 0.251 0.000 1.099 182 L CA -0.364 54.663 54.840 0.312 0.000 0.808 182 L CB 0.401 42.681 42.059 0.368 0.000 1.149 182 L HN 0.325 nan 8.230 nan 0.000 0.442 183 L N 2.855 124.260 121.223 0.303 0.000 2.575 183 L HA 0.241 4.581 4.340 -0.000 0.000 0.228 183 L C -0.282 176.776 176.870 0.313 0.000 1.075 183 L CA 0.165 55.092 54.840 0.145 0.000 0.867 183 L CB 0.660 42.623 42.059 -0.160 0.000 1.097 183 L HN 0.320 nan 8.230 nan 0.000 0.485 184 V N 0.666 120.771 119.914 0.317 0.000 2.638 184 V HA 0.299 4.419 4.120 -0.000 0.000 0.306 184 V C -0.439 175.755 176.094 0.167 0.000 1.052 184 V CA -1.039 61.384 62.300 0.206 0.000 0.885 184 V CB 1.897 33.780 31.823 0.101 0.000 0.999 184 V HN 0.130 nan 8.190 nan 0.000 0.424 185 K N 1.637 122.006 120.400 -0.051 0.000 2.090 185 K HA 0.559 4.879 4.320 -0.000 0.000 0.249 185 K C -0.336 176.246 176.600 -0.031 0.000 0.995 185 K CA -0.627 55.635 56.287 -0.043 0.000 0.914 185 K CB 0.798 33.183 32.500 -0.192 0.000 1.057 185 K HN 0.622 nan 8.250 nan 0.000 0.462 186 D N -0.161 120.240 120.400 0.002 0.000 3.077 186 D HA -0.167 4.473 4.640 -0.000 0.000 0.217 186 D C -0.630 175.676 176.300 0.011 0.000 1.162 186 D CA 1.587 55.587 54.000 -0.001 0.000 0.943 186 D CB -0.833 39.951 40.800 -0.027 0.000 1.122 186 D HN 0.742 nan 8.370 nan 0.000 0.413 187 D N -0.990 119.427 120.400 0.028 0.000 2.328 187 D HA 0.513 5.153 4.640 -0.000 0.000 0.243 187 D C 0.877 177.213 176.300 0.059 0.000 1.324 187 D CA 0.185 54.206 54.000 0.035 0.000 0.966 187 D CB 0.734 41.549 40.800 0.024 0.000 1.324 187 D HN -0.020 nan 8.370 nan 0.000 0.549 188 A N 2.822 125.679 122.820 0.061 0.000 1.933 188 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 188 A C 1.595 179.227 177.584 0.080 0.000 1.175 188 A CA 1.283 53.366 52.037 0.078 0.000 0.628 188 A CB -0.004 19.035 19.000 0.064 0.000 0.814 188 A HN 0.443 nan 8.150 nan 0.000 0.444 189 D N 0.061 120.497 120.400 0.061 0.000 2.144 189 D HA 0.001 4.640 4.640 -0.000 0.000 0.200 189 D C 2.152 178.489 176.300 0.061 0.000 0.978 189 D CA 1.418 55.452 54.000 0.057 0.000 0.833 189 D CB -0.330 40.495 40.800 0.041 0.000 0.961 189 D HN 0.430 nan 8.370 nan 0.000 0.470 190 A N 0.544 123.398 122.820 0.056 0.000 1.968 190 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 190 A C 1.923 179.547 177.584 0.068 0.000 1.169 190 A CA 1.706 53.772 52.037 0.048 0.000 0.638 190 A CB -0.438 18.583 19.000 0.035 0.000 0.812 190 A HN 0.167 nan 8.150 nan 0.000 0.446 191 D N -0.148 120.316 120.400 0.106 0.000 2.097 191 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 191 D C 1.265 177.708 176.300 0.238 0.000 0.984 191 D CA 1.462 55.565 54.000 0.172 0.000 0.826 191 D CB -0.112 40.817 40.800 0.215 0.000 0.973 191 D HN 0.299 nan 8.370 nan 0.000 0.460 192 D N -0.051 120.466 120.400 0.194 0.000 2.116 192 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 192 D C 1.997 178.400 176.300 0.171 0.000 0.998 192 D CA 1.553 55.671 54.000 0.196 0.000 0.836 192 D CB -0.582 40.294 40.800 0.126 0.000 0.951 192 D HN 0.340 nan 8.370 nan 0.000 0.449 193 A N 0.671 123.554 122.820 0.104 0.000 1.902 193 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 193 A C 2.133 179.738 177.584 0.036 0.000 1.181 193 A CA 1.856 53.932 52.037 0.065 0.000 0.623 193 A CB -0.626 18.396 19.000 0.038 0.000 0.818 193 A HN 0.268 nan 8.150 nan 0.000 0.443 194 E N -1.109 119.089 120.200 -0.004 0.000 2.033 194 E HA -0.270 4.079 4.350 -0.000 0.000 0.199 194 E C 1.799 178.283 176.600 -0.193 0.000 1.011 194 E CA 1.760 58.081 56.400 -0.132 0.000 0.815 194 E CB -0.298 29.273 29.700 -0.215 0.000 0.755 194 E HN 0.767 nan 8.360 nan 0.000 0.451 195 W N 0.877 122.139 121.300 -0.063 0.000 2.321 195 W HA -0.205 4.455 4.660 -0.000 0.000 0.306 195 W C 2.268 178.797 176.519 0.016 0.000 1.217 195 W CA 1.329 58.607 57.345 -0.111 0.000 1.257 195 W CB -0.384 29.060 29.460 -0.026 0.000 1.145 195 W HN 0.312 nan 8.180 nan 0.000 0.509 196 D N -0.274 120.301 120.400 0.292 0.000 2.117 196 D HA -0.199 4.440 4.640 -0.000 0.000 0.197 196 D C 2.150 178.519 176.300 0.115 0.000 0.987 196 D CA 1.443 55.575 54.000 0.220 0.000 0.829 196 D CB -0.195 40.694 40.800 0.148 0.000 0.961 196 D HN -0.047 nan 8.370 nan 0.000 0.460 197 R N -0.472 120.047 120.500 0.032 0.000 2.081 197 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 197 R C 2.375 178.634 176.300 -0.067 0.000 1.131 197 R CA 1.051 57.136 56.100 -0.025 0.000 0.960 197 R CB -0.188 30.075 30.300 -0.061 0.000 0.856 197 R HN 0.265 nan 8.270 nan 0.000 0.436 198 L N -0.919 120.229 121.223 -0.126 0.000 2.072 198 L HA -0.147 4.192 4.340 -0.000 0.000 0.205 198 L C 2.196 179.001 176.870 -0.109 0.000 1.079 198 L CA 1.030 55.740 54.840 -0.216 0.000 0.752 198 L CB -0.561 41.252 42.059 -0.411 0.000 0.906 198 L HN 0.176 nan 8.230 nan 0.000 0.436 199 Y N 0.434 120.730 120.300 -0.007 0.000 2.224 199 Y HA -0.221 4.329 4.550 -0.000 0.000 0.289 199 Y C 2.875 178.752 175.900 -0.040 0.000 1.146 199 Y CA 1.436 59.542 58.100 0.009 0.000 1.182 199 Y CB -1.154 37.351 38.460 0.075 0.000 0.983 199 Y HN 0.129 nan 8.280 nan 0.000 0.524 200 T N -0.293 114.333 114.554 0.120 0.000 2.720 200 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 200 T C 1.970 176.641 174.700 -0.048 0.000 1.037 200 T CA 1.883 64.004 62.100 0.035 0.000 1.144 200 T CB -0.206 68.677 68.868 0.025 0.000 0.864 200 T HN 0.210 nan 8.240 nan 0.000 0.444 201 K N 0.778 121.094 120.400 -0.140 0.000 2.057 201 K HA 0.058 4.378 4.320 -0.000 0.000 0.206 201 K C 2.458 178.739 176.600 -0.532 0.000 1.050 201 K CA 1.054 57.132 56.287 -0.348 0.000 0.935 201 K CB -0.290 31.960 32.500 -0.415 0.000 0.715 201 K HN 0.271 nan 8.250 nan 0.000 0.439 202 A N 1.079 123.695 122.820 -0.340 0.000 1.933 202 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 202 A C 1.816 179.385 177.584 -0.025 0.000 1.175 202 A CA 1.649 53.538 52.037 -0.247 0.000 0.628 202 A CB -0.449 18.516 19.000 -0.058 0.000 0.814 202 A HN 0.431 nan 8.150 nan 0.000 0.444 203 E N 0.359 120.586 120.200 0.045 0.000 2.110 203 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 203 E C 2.388 179.054 176.600 0.111 0.000 0.988 203 E CA 1.529 57.998 56.400 0.115 0.000 0.804 203 E CB -0.193 29.555 29.700 0.079 0.000 0.745 203 E HN 0.825 nan 8.360 nan 0.000 0.458 204 S N 0.274 115.998 115.700 0.040 0.000 2.368 204 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 204 S C 1.933 176.669 174.600 0.226 0.000 1.030 204 S CA 0.837 59.098 58.200 0.101 0.000 0.999 204 S CB -0.525 62.721 63.200 0.077 0.000 0.844 204 S HN 0.208 nan 8.310 nan 0.000 0.459 205 Y N 0.724 121.030 120.300 0.011 0.000 2.181 205 Y HA 0.139 4.689 4.550 -0.000 0.000 0.288 205 Y C 2.070 177.994 175.900 0.039 0.000 1.146 205 Y CA -0.212 57.864 58.100 -0.041 0.000 1.164 205 Y CB -1.030 37.322 38.460 -0.181 0.000 0.982 205 Y HN 0.269 nan 8.280 nan 0.000 0.515 206 F N 0.238 120.338 119.950 0.251 0.000 2.710 206 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 206 F C 0.861 176.765 175.800 0.173 0.000 1.137 206 F CA 0.269 58.406 58.000 0.229 0.000 1.444 206 F CB -0.402 38.752 39.000 0.257 0.000 1.111 206 F HN 0.006 nan 8.300 nan 0.000 0.580 207 Q N 0.353 120.327 119.800 0.289 0.000 2.468 207 Q HA -0.197 4.142 4.340 -0.000 0.000 0.289 207 Q C 0.156 176.235 176.000 0.131 0.000 1.299 207 Q CA 0.777 56.681 55.803 0.168 0.000 0.838 207 Q CB -2.737 26.079 28.738 0.130 0.000 1.195 207 Q HN 0.220 nan 8.270 nan 0.000 0.456 208 T N -0.033 114.616 114.554 0.159 0.000 2.940 208 T HA 0.431 4.781 4.350 -0.000 0.000 0.309 208 T C 0.791 175.523 174.700 0.053 0.000 1.056 208 T CA 0.671 62.831 62.100 0.101 0.000 1.137 208 T CB 1.223 70.163 68.868 0.120 0.000 0.976 208 T HN 0.525 nan 8.240 nan 0.000 0.547 209 G N 0.578 109.395 108.800 0.028 0.000 2.623 209 G HA2 0.520 4.480 3.960 -0.000 0.000 0.290 209 G HA3 0.520 4.480 3.960 -0.000 0.000 0.290 209 G C -0.090 174.820 174.900 0.018 0.000 1.437 209 G CA -0.418 44.689 45.100 0.012 0.000 0.798 209 G HN 0.651 nan 8.290 nan 0.000 0.488 210 T N -2.291 112.274 114.554 0.020 0.000 3.393 210 T HA 0.308 4.658 4.350 -0.000 0.000 0.298 210 T C 0.084 174.805 174.700 0.035 0.000 1.004 210 T CA 0.517 62.641 62.100 0.041 0.000 0.956 210 T CB 0.366 69.263 68.868 0.048 0.000 1.182 210 T HN 0.519 nan 8.240 nan 0.000 0.497 211 D N 0.177 120.576 120.400 -0.003 0.000 2.500 211 D HA 0.061 4.701 4.640 -0.000 0.000 0.218 211 D C 1.383 177.619 176.300 -0.108 0.000 1.140 211 D CA -0.024 53.953 54.000 -0.038 0.000 0.830 211 D CB -0.029 40.741 40.800 -0.050 0.000 1.055 211 D HN 0.283 nan 8.370 nan 0.000 0.512 212 Q N -0.472 119.255 119.800 -0.122 0.000 2.378 212 Q HA 0.196 4.535 4.340 -0.000 0.000 0.205 212 Q C 0.357 175.989 176.000 -0.613 0.000 0.954 212 Q CA 0.828 56.421 55.803 -0.349 0.000 0.901 212 Q CB -0.132 28.379 28.738 -0.377 0.000 0.981 212 Q HN 0.260 nan 8.270 nan 0.000 0.483 213 F N -0.180 119.614 119.950 -0.260 0.000 2.698 213 F HA 0.216 4.743 4.527 -0.000 0.000 0.304 213 F C 1.291 176.896 175.800 -0.325 0.000 1.108 213 F CA -0.474 57.329 58.000 -0.328 0.000 1.263 213 F CB 0.387 39.125 39.000 -0.437 0.000 1.013 213 F HN -0.010 nan 8.300 nan 0.000 0.532 214 K N 0.169 120.498 120.400 -0.119 0.000 2.209 214 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 214 K C 0.790 177.361 176.600 -0.048 0.000 1.048 214 K CA 1.571 57.852 56.287 -0.009 0.000 0.940 214 K CB -0.164 32.314 32.500 -0.037 0.000 0.729 214 K HN 0.233 nan 8.250 nan 0.000 0.451 215 E N 1.594 121.637 120.200 -0.261 0.000 2.444 215 E HA 0.020 4.370 4.350 -0.000 0.000 0.191 215 E C -0.326 176.172 176.600 -0.170 0.000 1.041 215 E CA -0.067 55.980 56.400 -0.588 0.000 0.883 215 E CB 0.730 29.986 29.700 -0.739 0.000 1.024 215 E HN 0.253 nan 8.360 nan 0.000 0.470 216 S N 0.905 116.648 115.700 0.073 0.000 2.499 216 S HA 0.190 4.660 4.470 -0.000 0.000 0.275 216 S C 1.302 176.043 174.600 0.234 0.000 1.257 216 S CA -0.540 57.754 58.200 0.156 0.000 1.050 216 S CB 0.512 63.842 63.200 0.216 0.000 0.937 216 S HN 0.120 nan 8.310 nan 0.000 0.490 217 I N 4.850 125.431 120.570 0.018 0.000 2.202 217 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 217 I C 2.651 178.649 176.117 -0.198 0.000 1.091 217 I CA 1.073 62.153 61.300 -0.367 0.000 1.368 217 I CB -0.293 37.234 38.000 -0.789 0.000 1.058 217 I HN 0.715 nan 8.210 nan 0.000 0.410 218 R N -0.263 120.188 120.500 -0.081 0.000 2.091 218 R HA -0.250 4.089 4.340 -0.000 0.000 0.238 218 R C 2.352 178.708 176.300 0.093 0.000 1.136 218 R CA 1.894 57.995 56.100 0.003 0.000 0.959 218 R CB -0.789 29.518 30.300 0.011 0.000 0.856 218 R HN 0.445 nan 8.270 nan 0.000 0.437 219 H N 1.121 120.229 119.070 0.064 0.000 2.293 219 H HA -0.050 4.506 4.556 -0.000 0.000 0.300 219 H C 1.843 177.257 175.328 0.144 0.000 1.082 219 H CA 1.881 57.986 56.048 0.096 0.000 1.308 219 H CB -0.086 29.759 29.762 0.140 0.000 1.375 219 H HN 0.114 nan 8.280 nan 0.000 0.495 220 N N 0.074 118.903 118.700 0.214 0.000 2.188 220 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 220 N C 2.041 177.697 175.510 0.242 0.000 1.018 220 N CA 0.982 54.181 53.050 0.248 0.000 0.858 220 N CB -0.256 38.577 38.487 0.576 0.000 0.989 220 N HN 0.307 nan 8.380 nan 0.000 0.426 221 L N 1.286 122.687 121.223 0.296 0.000 2.012 221 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 221 L C 2.132 179.065 176.870 0.105 0.000 1.073 221 L CA 1.403 56.403 54.840 0.267 0.000 0.748 221 L CB -0.558 41.614 42.059 0.187 0.000 0.891 221 L HN -0.110 nan 8.230 nan 0.000 0.431 222 V N -0.876 119.058 119.914 0.034 0.000 2.323 222 V HA -0.238 3.882 4.120 -0.000 0.000 0.244 222 V C 2.421 178.452 176.094 -0.104 0.000 1.041 222 V CA 1.522 63.810 62.300 -0.021 0.000 1.025 222 V CB -0.646 31.152 31.823 -0.041 0.000 0.656 222 V HN 0.506 nan 8.190 nan 0.000 0.451 223 L N 1.097 122.221 121.223 -0.165 0.000 1.990 223 L HA -0.221 4.119 4.340 -0.000 0.000 0.213 223 L C 2.212 179.006 176.870 -0.127 0.000 1.072 223 L CA 2.238 56.966 54.840 -0.186 0.000 0.755 223 L CB -0.915 41.002 42.059 -0.235 0.000 0.889 223 L HN 0.319 nan 8.230 nan 0.000 0.432 224 N N -0.298 118.376 118.700 -0.045 0.000 2.188 224 N HA -0.192 4.548 4.740 -0.000 0.000 0.184 224 N C 1.830 177.312 175.510 -0.046 0.000 1.018 224 N CA 1.274 54.313 53.050 -0.018 0.000 0.858 224 N CB -0.341 38.160 38.487 0.023 0.000 0.989 224 N HN 0.284 nan 8.380 nan 0.000 0.426 225 K N 1.340 121.714 120.400 -0.045 0.000 2.026 225 K HA 0.057 4.377 4.320 -0.000 0.000 0.208 225 K C 1.903 178.445 176.600 -0.098 0.000 1.048 225 K CA 0.976 57.236 56.287 -0.045 0.000 0.929 225 K CB -0.465 32.030 32.500 -0.008 0.000 0.713 225 K HN 0.138 nan 8.250 nan 0.000 0.439 226 L N -0.088 121.002 121.223 -0.222 0.000 2.072 226 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 226 L C 2.240 178.909 176.870 -0.335 0.000 1.079 226 L CA 1.520 56.121 54.840 -0.398 0.000 0.752 226 L CB -0.750 40.666 42.059 -1.072 0.000 0.906 226 L HN 0.213 nan 8.230 nan 0.000 0.436 227 T N -0.590 113.787 114.554 -0.295 0.000 2.684 227 T HA -0.267 4.083 4.350 -0.000 0.000 0.267 227 T C 1.732 176.478 174.700 0.078 0.000 1.036 227 T CA 1.931 64.044 62.100 0.022 0.000 1.148 227 T CB -0.140 68.761 68.868 0.055 0.000 0.863 227 T HN 0.331 nan 8.240 nan 0.000 0.436 228 E N 1.200 121.406 120.200 0.010 0.000 2.038 228 E HA -0.178 4.171 4.350 -0.000 0.000 0.195 228 E C 2.238 178.834 176.600 -0.006 0.000 1.000 228 E CA 1.375 57.777 56.400 0.003 0.000 0.803 228 E CB -0.198 29.487 29.700 -0.025 0.000 0.750 228 E HN 0.325 nan 8.360 nan 0.000 0.448 229 E N -0.447 119.723 120.200 -0.050 0.000 2.130 229 E HA -0.209 4.140 4.350 -0.000 0.000 0.196 229 E C 2.023 178.480 176.600 -0.238 0.000 0.998 229 E CA 1.277 57.576 56.400 -0.168 0.000 0.806 229 E CB -0.375 29.162 29.700 -0.272 0.000 0.738 229 E HN 0.524 nan 8.360 nan 0.000 0.459 230 Y N 0.793 121.138 120.300 0.075 0.000 2.519 230 Y HA 0.017 4.567 4.550 -0.000 0.000 0.287 230 Y C 0.492 176.448 175.900 0.094 0.000 1.128 230 Y CA 0.239 58.416 58.100 0.130 0.000 1.282 230 Y CB 0.151 38.785 38.460 0.291 0.000 1.027 230 Y HN -0.111 nan 8.280 nan 0.000 0.551 231 K N 0.380 120.878 120.400 0.163 0.000 3.490 231 K HA -0.286 4.034 4.320 -0.000 0.000 0.273 231 K C 1.119 177.791 176.600 0.120 0.000 0.916 231 K CA 0.667 57.017 56.287 0.107 0.000 0.718 231 K CB -2.227 30.305 32.500 0.054 0.000 1.477 231 K HN 0.719 nan 8.250 nan 0.000 0.452 232 G N 0.256 109.146 108.800 0.150 0.000 2.245 232 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.264 232 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.264 232 G C 0.978 175.947 174.900 0.114 0.000 0.985 232 G CA 0.797 45.968 45.100 0.119 0.000 0.625 232 G HN 0.539 nan 8.290 nan 0.000 0.536 233 Q N -0.358 119.532 119.800 0.149 0.000 2.124 233 Q HA -0.008 4.332 4.340 -0.000 0.000 0.202 233 Q C 1.398 177.453 176.000 0.090 0.000 0.977 233 Q CA 1.212 57.096 55.803 0.135 0.000 0.850 233 Q CB 0.047 28.904 28.738 0.197 0.000 0.901 233 Q HN 0.604 nan 8.270 nan 0.000 0.429 234 R N 0.532 121.082 120.500 0.085 0.000 2.744 234 R HA 0.355 4.695 4.340 -0.000 0.000 0.279 234 R C -1.344 174.901 176.300 -0.092 0.000 0.977 234 R CA -0.647 55.370 56.100 -0.138 0.000 0.906 234 R CB 1.623 31.570 30.300 -0.589 0.000 1.197 234 R HN -0.020 nan 8.270 nan 0.000 0.463 235 D N 1.790 122.068 120.400 -0.204 0.000 2.185 235 D HA 0.400 5.040 4.640 -0.000 0.000 0.247 235 D C -0.651 175.459 176.300 -0.318 0.000 1.027 235 D CA -0.072 53.879 54.000 -0.082 0.000 0.861 235 D CB 1.499 42.294 40.800 -0.007 0.000 1.202 235 D HN 0.142 nan 8.370 nan 0.000 0.453 236 F N 0.609 120.564 119.950 0.008 0.000 2.556 236 F HA 0.403 4.930 4.527 -0.000 0.000 0.327 236 F C 0.712 176.525 175.800 0.021 0.000 1.059 236 F CA -0.558 57.442 58.000 -0.001 0.000 0.953 236 F CB 1.746 40.743 39.000 -0.005 0.000 1.227 236 F HN 0.232 nan 8.300 nan 0.000 0.478 237 Q N -0.268 119.647 119.800 0.193 0.000 2.782 237 Q HA 0.314 4.654 4.340 -0.000 0.000 0.308 237 Q C -1.690 174.419 176.000 0.182 0.000 0.883 237 Q CA -1.270 54.627 55.803 0.158 0.000 0.755 237 Q CB 1.732 30.531 28.738 0.101 0.000 1.454 237 Q HN 0.611 nan 8.270 nan 0.000 0.452 238 Q N 0.842 120.767 119.800 0.208 0.000 2.340 238 Q HA 0.312 4.652 4.340 -0.000 0.000 0.249 238 Q C -0.566 175.513 176.000 0.132 0.000 0.957 238 Q CA -0.322 55.625 55.803 0.241 0.000 0.882 238 Q CB 0.670 29.537 28.738 0.215 0.000 1.235 238 Q HN 0.590 nan 8.270 nan 0.000 0.439 239 I N 5.716 126.346 120.570 0.100 0.000 2.683 239 I HA 0.007 4.177 4.170 -0.000 0.000 0.286 239 I C -1.970 174.178 176.117 0.051 0.000 1.175 239 I CA -1.651 59.684 61.300 0.060 0.000 1.429 239 I CB 0.372 38.383 38.000 0.018 0.000 1.371 239 I HN 0.443 nan 8.210 nan 0.000 0.569 240 P HA 0.245 nan 4.420 nan 0.000 0.271 240 P C -0.899 176.405 177.300 0.007 0.000 1.233 240 P CA 0.149 63.262 63.100 0.022 0.000 0.764 240 P CB 0.466 32.168 31.700 0.003 0.000 0.825 241 L N 2.280 123.514 121.223 0.018 0.000 2.362 241 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 241 L C 0.365 177.229 176.870 -0.011 0.000 1.002 241 L CA -1.206 53.639 54.840 0.008 0.000 0.818 241 L CB 2.146 44.271 42.059 0.110 0.000 1.298 241 L HN 0.231 nan 8.230 nan 0.000 0.420 242 A N 2.829 125.604 122.820 -0.075 0.000 2.807 242 A HA 0.751 5.071 4.320 -0.000 0.000 0.307 242 A C -0.053 177.545 177.584 0.024 0.000 1.532 242 A CA -0.001 52.027 52.037 -0.013 0.000 1.215 242 A CB -0.376 18.552 19.000 -0.120 0.000 1.127 242 A HN 0.746 nan 8.150 nan 0.000 0.543 243 A N 1.625 124.425 122.820 -0.033 0.000 2.594 243 A HA 0.761 5.081 4.320 -0.000 0.000 0.296 243 A C -0.455 176.999 177.584 -0.217 0.000 1.061 243 A CA -0.457 51.454 52.037 -0.209 0.000 0.689 243 A CB 0.922 19.628 19.000 -0.490 0.000 1.280 243 A HN 0.547 nan 8.150 nan 0.000 0.406 244 T N 1.286 115.685 114.554 -0.257 0.000 2.824 244 T HA 0.516 4.866 4.350 -0.000 0.000 0.282 244 T C -0.014 174.500 174.700 -0.309 0.000 0.993 244 T CA -0.453 61.515 62.100 -0.220 0.000 0.967 244 T CB 1.350 70.151 68.868 -0.110 0.000 0.960 244 T HN 0.705 nan 8.240 nan 0.000 0.441 245 R N 1.849 122.160 120.500 -0.315 0.000 2.389 245 R HA 0.291 4.631 4.340 -0.000 0.000 0.295 245 R C 1.326 177.519 176.300 -0.179 0.000 1.075 245 R CA -0.239 55.664 56.100 -0.327 0.000 1.005 245 R CB 0.424 30.510 30.300 -0.357 0.000 0.987 245 R HN 0.646 nan 8.270 nan 0.000 0.452 246 R N 1.625 122.070 120.500 -0.091 0.000 2.175 246 R HA 0.081 4.421 4.340 -0.000 0.000 0.202 246 R C -0.279 176.006 176.300 -0.025 0.000 1.018 246 R CA 0.929 57.026 56.100 -0.006 0.000 1.029 246 R CB 0.366 30.746 30.300 0.133 0.000 0.959 246 R HN 0.729 nan 8.270 nan 0.000 0.480 247 S N -2.105 113.578 115.700 -0.028 0.000 2.672 247 S HA 0.365 4.835 4.470 -0.000 0.000 0.271 247 S C -2.530 172.026 174.600 -0.074 0.000 1.171 247 S CA -1.202 56.974 58.200 -0.039 0.000 0.817 247 S CB 1.718 64.917 63.200 -0.001 0.000 1.150 247 S HN -0.159 nan 8.310 nan 0.000 0.478 248 P HA 0.010 nan 4.420 nan 0.000 0.219 248 P C 1.050 178.310 177.300 -0.067 0.000 1.146 248 P CA 1.819 64.866 63.100 -0.088 0.000 0.808 248 P CB -0.142 31.526 31.700 -0.054 0.000 0.779 249 T N -6.419 108.131 114.554 -0.007 0.000 3.132 249 T HA 0.294 4.644 4.350 -0.000 0.000 0.274 249 T C -0.187 174.577 174.700 0.106 0.000 1.011 249 T CA -0.371 61.750 62.100 0.036 0.000 0.899 249 T CB -0.629 68.278 68.868 0.065 0.000 1.089 249 T HN -0.114 nan 8.240 nan 0.000 0.543 250 F N 1.255 121.138 119.950 -0.113 0.000 2.574 250 F HA 0.647 5.174 4.527 -0.000 0.000 0.313 250 F C -1.699 173.961 175.800 -0.234 0.000 1.130 250 F CA -1.027 56.900 58.000 -0.122 0.000 0.936 250 F CB 2.027 40.976 39.000 -0.086 0.000 1.219 250 F HN -0.122 nan 8.300 nan 0.000 0.445 251 V N 4.539 123.862 119.914 -0.986 0.000 2.531 251 V HA 0.276 4.396 4.120 -0.000 0.000 0.301 251 V C -0.643 174.765 176.094 -1.143 0.000 1.034 251 V CA -0.863 60.848 62.300 -0.982 0.000 0.865 251 V CB 1.695 32.766 31.823 -1.254 0.000 0.995 251 V HN 0.705 nan 8.190 nan 0.000 0.424 252 E N 4.442 124.295 120.200 -0.579 0.000 1.932 252 E HA 0.164 4.514 4.350 -0.000 0.000 0.275 252 E C -0.884 175.522 176.600 -0.322 0.000 1.159 252 E CA -0.316 55.926 56.400 -0.264 0.000 0.905 252 E CB 0.323 30.021 29.700 -0.003 0.000 1.059 252 E HN 0.580 nan 8.360 nan 0.000 0.400 253 W N 3.307 124.458 121.300 -0.248 0.000 2.190 253 W HA 0.174 4.834 4.660 -0.000 0.000 0.330 253 W C 0.635 177.129 176.519 -0.042 0.000 1.299 253 W CA -0.600 56.568 57.345 -0.295 0.000 1.215 253 W CB 0.996 30.026 29.460 -0.717 0.000 1.147 253 W HN 0.346 nan 8.180 nan 0.000 0.563 254 S N 1.408 117.294 115.700 0.309 0.000 2.655 254 S HA 0.670 5.140 4.470 -0.000 0.000 0.265 254 S C 0.062 175.092 174.600 0.717 0.000 1.240 254 S CA -0.400 58.058 58.200 0.429 0.000 0.986 254 S CB 1.298 64.748 63.200 0.417 0.000 0.985 254 S HN 0.540 nan 8.310 nan 0.000 0.562 255 S N -0.749 115.326 115.700 0.625 0.000 2.654 255 S HA 0.569 5.039 4.470 -0.000 0.000 0.267 255 S C 0.637 175.420 174.600 0.305 0.000 1.151 255 S CA -0.263 58.226 58.200 0.481 0.000 0.873 255 S CB 0.297 63.717 63.200 0.367 0.000 1.181 255 S HN 0.784 nan 8.310 nan 0.000 0.489 256 A N 1.600 124.503 122.820 0.138 0.000 1.917 256 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 256 A C 2.005 179.640 177.584 0.084 0.000 1.182 256 A CA 2.158 54.241 52.037 0.077 0.000 0.633 256 A CB -1.538 17.476 19.000 0.023 0.000 0.819 256 A HN 0.851 nan 8.150 nan 0.000 0.448 257 N N -0.566 118.189 118.700 0.093 0.000 2.149 257 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 257 N C 1.558 177.100 175.510 0.053 0.000 1.019 257 N CA 2.016 55.098 53.050 0.053 0.000 0.857 257 N CB -0.218 38.313 38.487 0.074 0.000 0.997 257 N HN 0.469 nan 8.380 nan 0.000 0.426 258 T N 0.651 115.284 114.554 0.131 0.000 2.746 258 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 258 T C 2.096 176.839 174.700 0.072 0.000 1.039 258 T CA 1.291 63.473 62.100 0.137 0.000 1.142 258 T CB -0.304 68.719 68.868 0.258 0.000 0.866 258 T HN 0.058 nan 8.240 nan 0.000 0.444 259 V N -0.432 119.510 119.914 0.047 0.000 2.358 259 V HA 0.110 4.230 4.120 -0.000 0.000 0.246 259 V C 0.569 176.629 176.094 -0.056 0.000 1.047 259 V CA 1.045 63.293 62.300 -0.087 0.000 1.035 259 V CB -0.422 31.314 31.823 -0.144 0.000 0.658 259 V HN 0.461 nan 8.190 nan 0.000 0.452 260 F N 0.787 120.618 119.950 -0.198 0.000 2.604 260 F HA 0.390 4.917 4.527 -0.000 0.000 0.316 260 F C 0.105 175.799 175.800 -0.176 0.000 1.136 260 F CA -1.690 56.167 58.000 -0.238 0.000 0.989 260 F CB 1.506 40.314 39.000 -0.320 0.000 1.258 260 F HN 0.135 nan 8.300 nan 0.000 0.451 261 D N 4.703 124.676 120.400 -0.711 0.000 2.349 261 D HA -0.017 4.623 4.640 -0.000 0.000 0.224 261 D C 1.179 177.243 176.300 -0.393 0.000 1.029 261 D CA 0.847 54.590 54.000 -0.429 0.000 0.879 261 D CB -0.068 40.521 40.800 -0.351 0.000 0.906 261 D HN 0.695 nan 8.370 nan 0.000 0.528 262 L N -1.734 119.120 121.223 -0.615 0.000 4.625 262 L HA -0.245 4.095 4.340 -0.000 0.000 0.428 262 L C -0.060 176.811 176.870 0.001 0.000 1.129 262 L CA 0.562 55.303 54.840 -0.165 0.000 0.978 262 L CB -1.418 40.669 42.059 0.045 0.000 2.043 262 L HN 0.203 nan 8.230 nan 0.000 0.847 263 Q N 0.728 120.430 119.800 -0.163 0.000 2.340 263 Q HA 0.254 4.594 4.340 -0.000 0.000 0.249 263 Q C 0.399 176.463 176.000 0.107 0.000 0.957 263 Q CA -0.226 55.550 55.803 -0.044 0.000 0.882 263 Q CB 0.726 29.403 28.738 -0.102 0.000 1.235 263 Q HN 0.116 nan 8.270 nan 0.000 0.439 264 N N 1.764 120.510 118.700 0.076 0.000 2.454 264 N HA 0.070 4.810 4.740 -0.000 0.000 0.254 264 N C -0.398 175.170 175.510 0.096 0.000 1.228 264 N CA 0.456 53.550 53.050 0.073 0.000 0.900 264 N CB 0.533 38.980 38.487 -0.067 0.000 1.089 264 N HN 0.253 nan 8.380 nan 0.000 0.449 265 R N 1.332 121.922 120.500 0.151 0.000 2.725 265 R HA 0.478 4.818 4.340 -0.000 0.000 0.277 265 R C -2.493 173.893 176.300 0.143 0.000 0.987 265 R CA -1.522 54.665 56.100 0.146 0.000 0.901 265 R CB 2.267 32.687 30.300 0.200 0.000 1.207 265 R HN 0.405 nan 8.270 nan 0.000 0.463 266 P HA 0.118 nan 4.420 nan 0.000 0.275 266 P C -1.393 175.959 177.300 0.086 0.000 1.228 266 P CA -0.296 62.896 63.100 0.153 0.000 0.786 266 P CB 0.834 32.676 31.700 0.236 0.000 0.927 267 N N -1.202 117.533 118.700 0.058 0.000 2.853 267 N HA 0.218 4.958 4.740 -0.000 0.000 0.258 267 N C 0.707 176.225 175.510 0.014 0.000 1.444 267 N CA -0.703 52.363 53.050 0.027 0.000 0.837 267 N CB -0.431 38.061 38.487 0.008 0.000 1.489 267 N HN 0.279 nan 8.380 nan 0.000 0.529 268 T N -4.370 110.185 114.554 0.002 0.000 2.962 268 T HA -0.150 4.200 4.350 -0.000 0.000 0.270 268 T C 0.932 175.624 174.700 -0.013 0.000 1.088 268 T CA 1.500 63.599 62.100 -0.003 0.000 1.127 268 T CB -0.370 68.495 68.868 -0.005 0.000 0.883 268 T HN 0.605 nan 8.240 nan 0.000 0.493 269 D N 2.097 122.487 120.400 -0.018 0.000 2.277 269 D HA 0.109 4.749 4.640 -0.000 0.000 0.208 269 D C 0.657 176.941 176.300 -0.027 0.000 0.962 269 D CA 0.686 54.669 54.000 -0.028 0.000 0.865 269 D CB 0.055 40.831 40.800 -0.040 0.000 0.939 269 D HN 0.553 nan 8.370 nan 0.000 0.510 270 A N 1.055 123.865 122.820 -0.016 0.000 3.156 270 A HA 0.355 4.675 4.320 -0.000 0.000 0.311 270 A C -2.061 175.526 177.584 0.005 0.000 1.129 270 A CA -0.806 51.225 52.037 -0.010 0.000 0.809 270 A CB 1.178 20.178 19.000 0.001 0.000 1.257 270 A HN -0.042 nan 8.150 nan 0.000 0.491 271 P HA -0.090 nan 4.420 nan 0.000 0.223 271 P C 0.428 177.671 177.300 -0.095 0.000 1.151 271 P CA 1.195 64.282 63.100 -0.020 0.000 0.787 271 P CB 0.487 32.155 31.700 -0.052 0.000 0.788 272 E N -0.195 119.894 120.200 -0.184 0.000 2.548 272 E HA 0.153 4.503 4.350 -0.000 0.000 0.206 272 E C 0.240 176.774 176.600 -0.111 0.000 1.005 272 E CA 0.104 56.233 56.400 -0.451 0.000 0.951 272 E CB 0.693 30.135 29.700 -0.429 0.000 1.035 272 E HN 0.513 nan 8.360 nan 0.000 0.470 273 E N 0.772 121.025 120.200 0.088 0.000 2.232 273 E HA 0.530 4.880 4.350 -0.000 0.000 0.264 273 E C -0.228 176.537 176.600 0.275 0.000 0.973 273 E CA -0.701 55.804 56.400 0.174 0.000 0.849 273 E CB 1.731 31.512 29.700 0.135 0.000 1.198 273 E HN -0.164 nan 8.360 nan 0.000 0.407 274 R N 1.548 122.209 120.500 0.269 0.000 2.507 274 R HA 0.407 4.747 4.340 -0.000 0.000 0.298 274 R C -1.665 174.805 176.300 0.284 0.000 1.087 274 R CA -0.495 55.752 56.100 0.245 0.000 0.917 274 R CB 0.972 31.393 30.300 0.201 0.000 1.173 274 R HN 0.415 nan 8.270 nan 0.000 0.472 275 F N 2.175 122.174 119.950 0.081 0.000 2.604 275 F HA 0.465 4.992 4.527 -0.000 0.000 0.316 275 F C -1.733 174.035 175.800 -0.054 0.000 1.136 275 F CA -0.705 57.318 58.000 0.038 0.000 0.989 275 F CB 2.049 41.132 39.000 0.139 0.000 1.258 275 F HN 0.365 nan 8.300 nan 0.000 0.451 276 N N 4.781 122.830 118.700 -1.084 0.000 2.295 276 N HA 0.560 5.300 4.740 -0.000 0.000 0.293 276 N C -1.962 172.524 175.510 -1.707 0.000 1.040 276 N CA -0.635 51.698 53.050 -1.194 0.000 0.840 276 N CB 2.367 40.337 38.487 -0.862 0.000 1.468 276 N HN 0.614 nan 8.380 nan 0.000 0.478 277 L N 2.437 122.857 121.223 -1.339 0.000 2.289 277 L HA 0.619 4.959 4.340 -0.000 0.000 0.285 277 L C -1.538 174.769 176.870 -0.938 0.000 1.049 277 L CA -0.132 54.185 54.840 -0.870 0.000 0.804 277 L CB 0.093 41.986 42.059 -0.276 0.000 1.195 277 L HN 0.462 nan 8.230 nan 0.000 0.428 278 F N 6.337 126.035 119.950 -0.419 0.000 2.359 278 F HA 0.531 5.058 4.527 -0.000 0.000 0.369 278 F C -2.103 173.648 175.800 -0.082 0.000 1.084 278 F CA -1.972 55.884 58.000 -0.240 0.000 1.096 278 F CB 0.650 39.481 39.000 -0.281 0.000 1.335 278 F HN 0.432 nan 8.300 nan 0.000 0.457 279 P HA 0.292 nan 4.420 nan 0.000 0.279 279 P C -0.089 177.273 177.300 0.104 0.000 1.282 279 P CA -0.294 62.852 63.100 0.076 0.000 0.788 279 P CB 0.820 32.543 31.700 0.038 0.000 1.139 280 A N -1.551 121.312 122.820 0.072 0.000 2.640 280 A HA -0.091 4.229 4.320 -0.000 0.000 0.300 280 A C -0.105 177.513 177.584 0.057 0.000 1.499 280 A CA 0.771 52.842 52.037 0.057 0.000 0.759 280 A CB -2.383 16.650 19.000 0.054 0.000 1.048 280 A HN 0.235 nan 8.150 nan 0.000 0.450 281 V N -0.362 119.599 119.914 0.078 0.000 2.447 281 V HA 0.666 4.786 4.120 -0.000 0.000 0.292 281 V C 0.505 176.613 176.094 0.023 0.000 1.021 281 V CA -0.360 61.990 62.300 0.083 0.000 0.850 281 V CB 1.529 33.498 31.823 0.242 0.000 1.005 281 V HN 1.507 nan 8.190 nan 0.000 0.426 282 A N 3.961 126.766 122.820 -0.026 0.000 2.320 282 A HA 0.541 4.861 4.320 -0.000 0.000 0.287 282 A C 0.037 177.606 177.584 -0.025 0.000 1.181 282 A CA -0.176 51.831 52.037 -0.051 0.000 0.831 282 A CB 0.137 19.138 19.000 0.002 0.000 1.102 282 A HN 0.872 nan 8.150 nan 0.000 0.513 283 C N 2.676 121.940 119.300 -0.061 0.000 2.285 283 C HA 0.403 4.862 4.460 -0.000 0.000 0.335 283 C C 1.331 176.293 174.990 -0.047 0.000 1.267 283 C CA -0.259 58.714 59.018 -0.075 0.000 1.762 283 C CB -0.124 27.561 27.740 -0.092 0.000 2.365 283 C HN 1.052 nan 8.230 nan 0.000 0.527 284 E N 0.860 121.049 120.200 -0.019 0.000 2.290 284 E HA 0.096 4.446 4.350 -0.000 0.000 0.199 284 E C 0.295 176.869 176.600 -0.044 0.000 0.912 284 E CA 0.433 56.821 56.400 -0.019 0.000 0.924 284 E CB 0.486 30.188 29.700 0.003 0.000 0.901 284 E HN 0.732 nan 8.360 nan 0.000 0.487 285 R N -0.141 120.341 120.500 -0.030 0.000 2.692 285 R HA 0.440 4.780 4.340 -0.000 0.000 0.269 285 R C -0.907 175.378 176.300 -0.025 0.000 1.030 285 R CA -0.860 55.207 56.100 -0.054 0.000 0.882 285 R CB 1.171 31.404 30.300 -0.112 0.000 1.250 285 R HN -0.093 nan 8.270 nan 0.000 0.465 286 V N -1.017 118.867 119.914 -0.051 0.000 2.630 286 V HA 0.706 4.826 4.120 -0.000 0.000 0.305 286 V C -0.068 175.997 176.094 -0.049 0.000 1.046 286 V CA -0.869 61.379 62.300 -0.086 0.000 0.934 286 V CB 1.812 33.529 31.823 -0.177 0.000 1.003 286 V HN 0.507 nan 8.190 nan 0.000 0.451 287 V N 4.698 124.585 119.914 -0.044 0.000 2.394 287 V HA 0.504 4.624 4.120 -0.000 0.000 0.282 287 V C 0.497 176.590 176.094 -0.001 0.000 1.031 287 V CA -0.569 61.728 62.300 -0.006 0.000 0.881 287 V CB 1.056 32.922 31.823 0.072 0.000 0.982 287 V HN 0.951 nan 8.190 nan 0.000 0.451 288 R N 3.514 124.031 120.500 0.028 0.000 2.490 288 R HA 0.324 4.664 4.340 -0.000 0.000 0.278 288 R C 0.263 176.610 176.300 0.079 0.000 1.069 288 R CA -0.605 55.566 56.100 0.119 0.000 1.080 288 R CB 0.674 31.035 30.300 0.101 0.000 1.030 288 R HN 0.874 nan 8.270 nan 0.000 0.491 289 N N 1.421 120.176 118.700 0.092 0.000 2.347 289 N HA 0.026 4.766 4.740 -0.000 0.000 0.253 289 N C 0.559 176.071 175.510 0.005 0.000 1.274 289 N CA 0.063 53.133 53.050 0.034 0.000 0.941 289 N CB 0.351 38.850 38.487 0.021 0.000 1.200 289 N HN 0.544 nan 8.380 nan 0.000 0.514 290 A N 0.103 122.918 122.820 -0.009 0.000 1.902 290 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 290 A C 2.188 179.748 177.584 -0.040 0.000 1.181 290 A CA 0.991 53.016 52.037 -0.021 0.000 0.623 290 A CB -0.947 18.043 19.000 -0.016 0.000 0.818 290 A HN 0.628 nan 8.150 nan 0.000 0.443 291 L N -0.470 120.719 121.223 -0.057 0.000 2.622 291 L HA -0.065 4.275 4.340 -0.000 0.000 0.233 291 L C -0.009 176.770 176.870 -0.151 0.000 1.156 291 L CA 0.076 54.865 54.840 -0.084 0.000 0.866 291 L CB -0.609 41.401 42.059 -0.082 0.000 0.980 291 L HN 0.419 nan 8.230 nan 0.000 0.448 292 N N 0.157 118.754 118.700 -0.171 0.000 2.725 292 N HA -0.176 4.564 4.740 -0.000 0.000 0.251 292 N C 0.841 175.756 175.510 -0.992 0.000 1.031 292 N CA 1.051 53.886 53.050 -0.359 0.000 0.720 292 N CB -1.125 37.298 38.487 -0.106 0.000 0.930 292 N HN 0.546 nan 8.380 nan 0.000 0.543 293 S N -2.176 113.102 115.700 -0.703 0.000 2.666 293 S HA 0.266 4.736 4.470 -0.000 0.000 0.239 293 S C 0.291 174.661 174.600 -0.384 0.000 1.031 293 S CA -0.275 57.547 58.200 -0.629 0.000 1.015 293 S CB 1.554 64.597 63.200 -0.262 0.000 0.981 293 S HN 0.409 nan 8.310 nan 0.000 0.547 294 E N 0.310 120.397 120.200 -0.188 0.000 2.390 294 E HA 0.475 4.825 4.350 -0.000 0.000 0.277 294 E C -1.652 175.137 176.600 0.314 0.000 0.939 294 E CA -0.894 55.595 56.400 0.148 0.000 0.769 294 E CB 1.365 31.129 29.700 0.107 0.000 1.251 294 E HN 0.073 nan 8.360 nan 0.000 0.450 295 I N 3.296 124.030 120.570 0.272 0.000 2.385 295 I HA 0.151 4.321 4.170 -0.000 0.000 0.294 295 I C 0.760 176.862 176.117 -0.026 0.000 0.988 295 I CA -0.023 61.291 61.300 0.022 0.000 1.265 295 I CB 1.360 39.166 38.000 -0.324 0.000 1.388 295 I HN 0.681 nan 8.210 nan 0.000 0.480 296 E N 3.143 123.318 120.200 -0.042 0.000 2.389 296 E HA 0.097 4.446 4.350 -0.000 0.000 0.199 296 E C 0.210 176.852 176.600 0.070 0.000 0.978 296 E CA 0.327 56.760 56.400 0.055 0.000 0.912 296 E CB 0.596 30.334 29.700 0.063 0.000 0.907 296 E HN 0.719 nan 8.360 nan 0.000 0.494 297 S N -0.409 115.256 115.700 -0.058 0.000 2.615 297 S HA 0.491 4.961 4.470 -0.000 0.000 0.268 297 S C -1.532 173.033 174.600 -0.060 0.000 1.146 297 S CA -1.076 57.151 58.200 0.044 0.000 0.818 297 S CB 1.253 64.474 63.200 0.035 0.000 1.111 297 S HN 0.016 nan 8.310 nan 0.000 0.465 298 L N 1.975 123.246 121.223 0.080 0.000 2.325 298 L HA 0.567 4.907 4.340 -0.000 0.000 0.281 298 L C -0.855 176.002 176.870 -0.021 0.000 1.004 298 L CA -0.154 54.711 54.840 0.041 0.000 0.823 298 L CB 1.099 43.218 42.059 0.101 0.000 1.236 298 L HN 0.893 nan 8.230 nan 0.000 0.415 299 H N 6.489 125.516 119.070 -0.071 0.000 2.620 299 H HA 0.460 5.015 4.556 -0.000 0.000 0.313 299 H C -0.277 174.999 175.328 -0.086 0.000 1.075 299 H CA -0.125 55.886 56.048 -0.060 0.000 1.397 299 H CB 1.366 31.096 29.762 -0.053 0.000 1.446 299 H HN 0.709 nan 8.280 nan 0.000 0.493 300 I N 0.296 120.864 120.570 -0.004 0.000 3.067 300 I HA 0.430 4.600 4.170 -0.000 0.000 0.312 300 I C -0.831 175.355 176.117 0.114 0.000 1.073 300 I CA -0.948 60.335 61.300 -0.028 0.000 1.016 300 I CB 3.215 41.069 38.000 -0.243 0.000 1.227 300 I HN 0.563 nan 8.210 nan 0.000 0.456 301 H N 2.371 121.442 119.070 0.002 0.000 3.013 301 H HA 0.226 4.782 4.556 -0.000 0.000 0.326 301 H C -1.613 173.756 175.328 0.069 0.000 0.973 301 H CA -0.666 55.400 56.048 0.030 0.000 1.369 301 H CB 1.551 31.329 29.762 0.027 0.000 1.598 301 H HN 0.772 nan 8.280 nan 0.000 0.518 302 D N 5.293 125.746 120.400 0.089 0.000 2.343 302 D HA 0.018 4.658 4.640 -0.000 0.000 0.255 302 D C 0.931 177.114 176.300 -0.195 0.000 1.187 302 D CA -0.114 53.898 54.000 0.019 0.000 0.875 302 D CB 1.142 42.052 40.800 0.183 0.000 1.136 302 D HN 0.666 nan 8.370 nan 0.000 0.469 303 L N 4.043 125.149 121.223 -0.195 0.000 2.492 303 L HA -0.028 4.312 4.340 -0.000 0.000 0.223 303 L C 1.699 178.528 176.870 -0.068 0.000 1.132 303 L CA -0.088 54.616 54.840 -0.228 0.000 0.850 303 L CB 0.010 42.008 42.059 -0.103 0.000 0.966 303 L HN 0.470 nan 8.230 nan 0.000 0.454 304 I N -0.470 120.094 120.570 -0.009 0.000 2.522 304 I HA -0.106 4.064 4.170 -0.000 0.000 0.240 304 I C 2.745 178.884 176.117 0.037 0.000 1.078 304 I CA 1.525 62.839 61.300 0.024 0.000 1.422 304 I CB -1.236 36.790 38.000 0.044 0.000 1.188 304 I HN 0.221 nan 8.210 nan 0.000 0.442 305 S N 0.758 116.492 115.700 0.057 0.000 2.423 305 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 305 S C 1.872 176.511 174.600 0.066 0.000 1.014 305 S CA 1.095 59.335 58.200 0.067 0.000 0.965 305 S CB -0.467 62.792 63.200 0.098 0.000 0.785 305 S HN 0.670 nan 8.310 nan 0.000 0.495 306 G N 0.908 109.753 108.800 0.074 0.000 2.176 306 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.253 306 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.253 306 G C -0.365 174.637 174.900 0.171 0.000 0.979 306 G CA 0.159 45.349 45.100 0.150 0.000 0.641 306 G HN 0.573 nan 8.290 nan 0.000 0.530 307 D N 0.304 120.756 120.400 0.088 0.000 2.344 307 D HA 0.613 5.253 4.640 -0.000 0.000 0.244 307 D C 0.984 177.210 176.300 -0.123 0.000 1.134 307 D CA 0.131 54.081 54.000 -0.083 0.000 0.930 307 D CB 0.616 41.303 40.800 -0.189 0.000 1.175 307 D HN 0.433 nan 8.370 nan 0.000 0.437 308 R N 0.153 120.407 120.500 -0.410 0.000 2.803 308 R HA 0.681 5.021 4.340 -0.000 0.000 0.276 308 R C -0.841 175.032 176.300 -0.712 0.000 0.978 308 R CA -0.663 55.240 56.100 -0.328 0.000 0.939 308 R CB 1.429 31.622 30.300 -0.178 0.000 1.179 308 R HN 0.288 nan 8.270 nan 0.000 0.472 309 F N -0.329 119.576 119.950 -0.074 0.000 2.664 309 F HA 0.276 4.803 4.527 -0.000 0.000 0.317 309 F C -0.498 175.160 175.800 -0.237 0.000 1.108 309 F CA -1.029 56.894 58.000 -0.129 0.000 0.957 309 F CB 1.837 40.764 39.000 -0.121 0.000 1.365 309 F HN 0.440 nan 8.300 nan 0.000 0.475 310 E N 1.858 122.030 120.200 -0.046 0.000 2.141 310 E HA 0.499 4.849 4.350 -0.000 0.000 0.259 310 E C -1.445 175.126 176.600 -0.048 0.000 0.883 310 E CA -0.616 55.650 56.400 -0.223 0.000 0.744 310 E CB 1.106 30.615 29.700 -0.318 0.000 1.150 310 E HN 0.318 nan 8.360 nan 0.000 0.420 311 I N 3.205 123.755 120.570 -0.034 0.000 2.365 311 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 311 I C 0.375 176.583 176.117 0.152 0.000 1.004 311 I CA -0.617 60.716 61.300 0.055 0.000 1.311 311 I CB 0.815 38.824 38.000 0.015 0.000 1.401 311 I HN 0.576 nan 8.210 nan 0.000 0.491 312 K N 4.735 125.227 120.400 0.153 0.000 2.164 312 K HA 0.856 5.176 4.320 -0.000 0.000 0.258 312 K C -0.684 175.985 176.600 0.114 0.000 0.951 312 K CA -0.618 55.774 56.287 0.177 0.000 0.844 312 K CB 2.645 35.211 32.500 0.111 0.000 1.099 312 K HN 0.784 nan 8.250 nan 0.000 0.435 313 A N 1.601 124.424 122.820 0.006 0.000 2.594 313 A HA 0.321 4.641 4.320 -0.000 0.000 0.291 313 A C -0.505 176.967 177.584 -0.188 0.000 1.105 313 A CA -0.666 51.241 52.037 -0.216 0.000 0.694 313 A CB 1.111 19.765 19.000 -0.577 0.000 1.291 313 A HN 0.667 nan 8.150 nan 0.000 0.410 314 D N -0.493 119.831 120.400 -0.127 0.000 2.194 314 D HA 0.130 4.770 4.640 -0.000 0.000 0.204 314 D C 0.311 176.499 176.300 -0.187 0.000 0.964 314 D CA 1.698 55.673 54.000 -0.041 0.000 0.846 314 D CB 0.210 41.035 40.800 0.042 0.000 0.962 314 D HN 0.239 nan 8.370 nan 0.000 0.490 315 V N 0.595 120.265 119.914 -0.407 0.000 2.638 315 V HA 0.294 4.413 4.120 -0.000 0.000 0.306 315 V C -1.317 174.529 176.094 -0.413 0.000 1.052 315 V CA -0.915 61.152 62.300 -0.388 0.000 0.885 315 V CB 1.864 33.364 31.823 -0.538 0.000 0.999 315 V HN -0.081 nan 8.190 nan 0.000 0.424 316 Y N 2.831 123.114 120.300 -0.028 0.000 2.328 316 Y HA 0.698 5.248 4.550 -0.000 0.000 0.336 316 Y C -0.108 175.750 175.900 -0.069 0.000 0.960 316 Y CA -0.955 57.118 58.100 -0.045 0.000 1.134 316 Y CB 2.140 40.581 38.460 -0.033 0.000 1.166 316 Y HN 0.363 nan 8.280 nan 0.000 0.464 317 V N 5.426 125.302 119.914 -0.064 0.000 2.409 317 V HA 0.395 4.514 4.120 -0.000 0.000 0.291 317 V C -0.404 175.566 176.094 -0.206 0.000 1.020 317 V CA -0.931 61.223 62.300 -0.244 0.000 0.848 317 V CB 1.610 33.078 31.823 -0.593 0.000 0.990 317 V HN 0.590 nan 8.190 nan 0.000 0.430 318 L N 5.213 126.313 121.223 -0.206 0.000 2.262 318 L HA 0.549 4.889 4.340 -0.000 0.000 0.288 318 L C 0.313 177.092 176.870 -0.152 0.000 1.035 318 L CA -0.169 54.571 54.840 -0.166 0.000 0.820 318 L CB 1.420 43.362 42.059 -0.194 0.000 1.204 318 L HN 0.812 nan 8.230 nan 0.000 0.424 319 T N -1.315 113.184 114.554 -0.092 0.000 3.585 319 T HA 0.444 4.794 4.350 -0.000 0.000 0.252 319 T C 0.495 175.208 174.700 0.022 0.000 1.382 319 T CA -0.243 61.846 62.100 -0.020 0.000 1.584 319 T CB 1.079 69.943 68.868 -0.008 0.000 0.892 319 T HN 0.545 nan 8.240 nan 0.000 0.671 320 A N 0.754 123.598 122.820 0.040 0.000 2.465 320 A HA 0.828 5.148 4.320 -0.000 0.000 0.255 320 A C 1.300 178.968 177.584 0.139 0.000 1.274 320 A CA -0.008 52.069 52.037 0.067 0.000 0.920 320 A CB -0.559 18.471 19.000 0.051 0.000 1.033 320 A HN 1.743 nan 8.150 nan 0.000 0.516 321 G N -2.207 106.675 108.800 0.136 0.000 2.663 321 G HA2 0.272 4.232 3.960 -0.000 0.000 0.686 321 G HA3 0.272 4.232 3.960 -0.000 0.000 0.686 321 G C 0.768 175.781 174.900 0.190 0.000 1.288 321 G CA -0.303 44.891 45.100 0.157 0.000 0.836 321 G HN 1.287 nan 8.290 nan 0.000 0.584 322 A N -0.735 122.182 122.820 0.161 0.000 1.969 322 A HA 0.284 4.604 4.320 -0.000 0.000 0.218 322 A C 2.606 180.282 177.584 0.154 0.000 1.169 322 A CA 3.058 55.183 52.037 0.146 0.000 0.635 322 A CB -0.297 18.762 19.000 0.098 0.000 0.810 322 A HN 1.544 nan 8.150 nan 0.000 0.445 323 V N -1.012 118.958 119.914 0.092 0.000 2.331 323 V HA -0.176 3.944 4.120 -0.000 0.000 0.242 323 V C 2.211 178.309 176.094 0.007 0.000 1.034 323 V CA 2.101 64.411 62.300 0.017 0.000 1.027 323 V CB -0.976 30.746 31.823 -0.168 0.000 0.667 323 V HN 0.721 nan 8.190 nan 0.000 0.457 324 H N -0.264 118.886 119.070 0.134 0.000 2.502 324 H HA -0.022 4.534 4.556 -0.000 0.000 0.283 324 H C 2.273 177.601 175.328 -0.000 0.000 1.015 324 H CA 0.930 57.013 56.048 0.059 0.000 1.298 324 H CB 0.077 29.857 29.762 0.029 0.000 1.411 324 H HN 0.315 nan 8.280 nan 0.000 0.556 325 N N -0.050 118.734 118.700 0.142 0.000 2.043 325 N HA -0.138 4.602 4.740 -0.000 0.000 0.193 325 N C 1.790 177.292 175.510 -0.014 0.000 1.037 325 N CA 1.976 55.044 53.050 0.031 0.000 0.851 325 N CB -0.598 37.909 38.487 0.033 0.000 1.027 325 N HN 0.306 nan 8.380 nan 0.000 0.422 326 T N 0.813 115.429 114.554 0.102 0.000 2.788 326 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 326 T C 1.826 176.371 174.700 -0.258 0.000 1.044 326 T CA 1.153 63.304 62.100 0.084 0.000 1.139 326 T CB -0.207 68.850 68.868 0.314 0.000 0.867 326 T HN 0.379 nan 8.240 nan 0.000 0.454 327 Q N 0.347 119.891 119.800 -0.426 0.000 2.084 327 Q HA -0.039 4.301 4.340 -0.000 0.000 0.202 327 Q C 2.303 178.024 176.000 -0.466 0.000 0.978 327 Q CA 1.090 56.324 55.803 -0.948 0.000 0.844 327 Q CB -0.263 28.225 28.738 -0.417 0.000 0.898 327 Q HN 0.509 nan 8.270 nan 0.000 0.426 328 L N 0.188 121.276 121.223 -0.224 0.000 2.156 328 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 328 L C 2.110 178.895 176.870 -0.142 0.000 1.095 328 L CA 0.652 55.402 54.840 -0.150 0.000 0.770 328 L CB -0.005 41.991 42.059 -0.105 0.000 0.914 328 L HN 0.316 nan 8.230 nan 0.000 0.439 329 L N -1.616 119.508 121.223 -0.164 0.000 2.072 329 L HA -0.165 4.175 4.340 -0.000 0.000 0.205 329 L C 2.394 179.300 176.870 0.061 0.000 1.079 329 L CA 0.668 55.441 54.840 -0.111 0.000 0.752 329 L CB -0.370 41.534 42.059 -0.259 0.000 0.906 329 L HN 0.054 nan 8.230 nan 0.000 0.436 330 V N -0.061 119.815 119.914 -0.063 0.000 2.358 330 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 330 V C 2.070 178.137 176.094 -0.046 0.000 1.047 330 V CA 1.768 64.053 62.300 -0.025 0.000 1.035 330 V CB -0.615 31.143 31.823 -0.108 0.000 0.658 330 V HN 0.466 nan 8.190 nan 0.000 0.452 331 N N 0.099 118.725 118.700 -0.123 0.000 2.519 331 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 331 N C 1.557 177.034 175.510 -0.054 0.000 1.062 331 N CA 1.169 54.170 53.050 -0.082 0.000 0.910 331 N CB -0.059 38.367 38.487 -0.101 0.000 0.958 331 N HN 0.392 nan 8.380 nan 0.000 0.445 332 S N -1.704 113.991 115.700 -0.009 0.000 2.540 332 S HA 0.325 4.795 4.470 -0.000 0.000 0.218 332 S C 1.092 175.664 174.600 -0.048 0.000 0.977 332 S CA 0.273 58.476 58.200 0.006 0.000 0.918 332 S CB 0.628 63.885 63.200 0.094 0.000 0.806 332 S HN 0.529 nan 8.310 nan 0.000 0.496 333 G N 1.017 109.791 108.800 -0.044 0.000 2.159 333 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.227 333 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.227 333 G C -0.089 174.695 174.900 -0.192 0.000 0.986 333 G CA -0.586 44.440 45.100 -0.124 0.000 0.651 333 G HN 0.403 nan 8.290 nan 0.000 0.523 334 F N 0.792 120.711 119.950 -0.052 0.000 2.377 334 F HA 0.562 5.089 4.527 -0.000 0.000 0.328 334 F C 1.592 177.396 175.800 0.007 0.000 1.094 334 F CA 1.049 59.029 58.000 -0.035 0.000 1.093 334 F CB 1.215 40.163 39.000 -0.086 0.000 1.214 334 F HN 0.772 nan 8.300 nan 0.000 0.518 335 G N 1.942 110.879 108.800 0.228 0.000 2.550 335 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.277 335 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.277 335 G C -0.694 174.277 174.900 0.119 0.000 1.190 335 G CA 0.161 45.365 45.100 0.174 0.000 0.971 335 G HN 0.823 nan 8.290 nan 0.000 0.559 336 Q N -0.945 118.932 119.800 0.128 0.000 2.271 336 Q HA 0.623 4.963 4.340 -0.000 0.000 0.268 336 Q C -1.112 174.967 176.000 0.132 0.000 1.021 336 Q CA -0.930 54.928 55.803 0.092 0.000 0.802 336 Q CB 1.794 30.564 28.738 0.054 0.000 1.282 336 Q HN 0.975 nan 8.270 nan 0.000 0.431 337 L N 3.761 125.050 121.223 0.109 0.000 2.350 337 L HA 0.813 5.153 4.340 -0.000 0.000 0.275 337 L C 0.280 177.227 176.870 0.128 0.000 1.099 337 L CA 1.651 56.583 54.840 0.152 0.000 0.808 337 L CB 1.059 43.184 42.059 0.110 0.000 1.149 337 L HN 0.842 nan 8.230 nan 0.000 0.442 338 G N 3.646 112.578 108.800 0.220 0.000 2.685 338 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.387 338 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.387 338 G C -0.641 174.167 174.900 -0.154 0.000 1.324 338 G CA -0.221 44.974 45.100 0.159 0.000 0.878 338 G HN 0.949 nan 8.290 nan 0.000 0.527 339 R N 0.754 120.961 120.500 -0.488 0.000 2.522 339 R HA 0.385 4.725 4.340 -0.000 0.000 0.284 339 R C -1.936 173.918 176.300 -0.743 0.000 1.032 339 R CA -0.669 54.687 56.100 -1.240 0.000 1.049 339 R CB 0.001 29.862 30.300 -0.732 0.000 0.956 339 R HN 0.329 nan 8.270 nan 0.000 0.422 340 P HA -0.040 nan 4.420 nan 0.000 0.266 340 P C -1.314 175.821 177.300 -0.276 0.000 1.195 340 P CA 0.397 63.237 63.100 -0.433 0.000 0.768 340 P CB 0.395 31.862 31.700 -0.389 0.000 0.838 341 N N 2.845 121.443 118.700 -0.169 0.000 2.664 341 N HA 0.183 4.923 4.740 -0.000 0.000 0.268 341 N C -2.092 173.374 175.510 -0.072 0.000 1.222 341 N CA -1.605 51.376 53.050 -0.115 0.000 0.805 341 N CB 1.101 39.526 38.487 -0.103 0.000 1.399 341 N HN 0.050 nan 8.380 nan 0.000 0.547 342 P HA -0.140 nan 4.420 nan 0.000 0.218 342 P C 1.026 178.310 177.300 -0.027 0.000 1.146 342 P CA 0.985 64.062 63.100 -0.038 0.000 0.813 342 P CB 0.288 31.967 31.700 -0.036 0.000 0.778 343 A N -0.252 122.549 122.820 -0.032 0.000 1.898 343 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 343 A C 0.959 178.532 177.584 -0.019 0.000 1.181 343 A CA 1.167 53.190 52.037 -0.024 0.000 0.620 343 A CB -1.168 17.816 19.000 -0.026 0.000 0.819 343 A HN 0.368 nan 8.150 nan 0.000 0.442 344 N N 1.088 119.775 118.700 -0.021 0.000 2.936 344 N HA 0.382 5.122 4.740 -0.000 0.000 0.243 344 N C -3.085 172.419 175.510 -0.010 0.000 1.149 344 N CA -1.551 51.491 53.050 -0.014 0.000 0.914 344 N CB 0.936 39.413 38.487 -0.015 0.000 1.179 344 N HN 0.198 nan 8.380 nan 0.000 0.502 345 P HA 0.184 nan 4.420 nan 0.000 0.271 345 P C -2.283 175.026 177.300 0.015 0.000 1.218 345 P CA -0.961 62.143 63.100 0.007 0.000 0.780 345 P CB 0.108 31.815 31.700 0.011 0.000 0.901 346 P HA 0.133 nan 4.420 nan 0.000 0.274 346 P C 0.805 178.123 177.300 0.030 0.000 1.246 346 P CA -0.135 62.985 63.100 0.033 0.000 0.795 346 P CB 1.144 32.880 31.700 0.059 0.000 1.006 347 E N -0.368 119.842 120.200 0.017 0.000 2.028 347 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 347 E C 0.364 176.988 176.600 0.040 0.000 0.988 347 E CA 1.018 57.426 56.400 0.014 0.000 0.799 347 E CB 0.011 29.704 29.700 -0.012 0.000 0.755 347 E HN 0.383 nan 8.360 nan 0.000 0.447 348 L N 0.650 121.902 121.223 0.049 0.000 2.342 348 L HA 0.286 4.626 4.340 -0.000 0.000 0.271 348 L C 0.159 177.144 176.870 0.190 0.000 1.008 348 L CA -0.706 54.205 54.840 0.118 0.000 0.818 348 L CB 1.815 43.901 42.059 0.044 0.000 1.296 348 L HN 0.121 nan 8.230 nan 0.000 0.427 349 L N 2.448 123.813 121.223 0.237 0.000 3.823 349 L HA -0.178 4.162 4.340 -0.000 0.000 0.525 349 L C -1.520 175.461 176.870 0.184 0.000 1.247 349 L CA -0.510 54.470 54.840 0.234 0.000 0.776 349 L CB -1.003 41.219 42.059 0.272 0.000 1.443 349 L HN 0.588 nan 8.230 nan 0.000 0.831 350 P HA -0.108 nan 4.420 nan 0.000 0.225 350 P C 1.265 178.665 177.300 0.166 0.000 1.148 350 P CA 1.044 64.223 63.100 0.132 0.000 0.779 350 P CB 0.305 32.064 31.700 0.098 0.000 0.780 351 S N -0.689 115.127 115.700 0.192 0.000 2.558 351 S HA 0.049 4.519 4.470 -0.000 0.000 0.217 351 S C 0.831 175.588 174.600 0.262 0.000 0.975 351 S CA -0.379 57.975 58.200 0.258 0.000 0.912 351 S CB -0.670 62.660 63.200 0.216 0.000 0.776 351 S HN 0.083 nan 8.310 nan 0.000 0.526 352 L N 2.583 123.940 121.223 0.222 0.000 2.559 352 L HA 0.348 4.688 4.340 -0.000 0.000 0.274 352 L C 1.211 178.226 176.870 0.242 0.000 1.205 352 L CA 1.077 56.051 54.840 0.223 0.000 0.907 352 L CB -0.467 41.711 42.059 0.199 0.000 1.153 352 L HN 0.361 nan 8.230 nan 0.000 0.490 353 G N 2.519 111.472 108.800 0.255 0.000 2.175 353 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.265 353 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.265 353 G C 0.486 175.521 174.900 0.225 0.000 0.979 353 G CA 0.483 45.735 45.100 0.253 0.000 0.663 353 G HN 0.816 nan 8.290 nan 0.000 0.533 354 S N -1.681 114.163 115.700 0.240 0.000 2.681 354 S HA 0.643 5.113 4.470 -0.000 0.000 0.299 354 S C 0.443 175.230 174.600 0.311 0.000 1.113 354 S CA 0.111 58.412 58.200 0.168 0.000 1.013 354 S CB 0.870 64.127 63.200 0.096 0.000 1.076 354 S HN 0.888 nan 8.310 nan 0.000 0.534 355 Y N -1.030 119.339 120.300 0.115 0.000 4.490 355 Y HA -0.211 4.339 4.550 -0.000 0.000 0.233 355 Y C 0.545 176.531 175.900 0.144 0.000 1.101 355 Y CA 0.295 58.463 58.100 0.113 0.000 2.010 355 Y CB -2.269 36.254 38.460 0.106 0.000 1.622 355 Y HN 0.635 nan 8.280 nan 0.000 0.675 356 I N 0.191 120.924 120.570 0.271 0.000 2.836 356 I HA 0.451 4.621 4.170 -0.000 0.000 0.285 356 I C 0.678 176.977 176.117 0.304 0.000 1.174 356 I CA 0.549 62.012 61.300 0.271 0.000 1.405 356 I CB 1.242 39.403 38.000 0.270 0.000 1.385 356 I HN 0.210 nan 8.210 nan 0.000 0.594 357 T N 1.823 116.527 114.554 0.250 0.000 2.893 357 T HA 0.667 5.017 4.350 -0.000 0.000 0.293 357 T C -0.738 174.018 174.700 0.093 0.000 1.027 357 T CA -0.711 61.530 62.100 0.236 0.000 0.988 357 T CB 2.053 71.006 68.868 0.142 0.000 1.043 357 T HN 0.837 nan 8.240 nan 0.000 0.461 358 E N 1.165 121.395 120.200 0.050 0.000 2.314 358 E HA 0.362 4.712 4.350 -0.000 0.000 0.272 358 E C -1.033 175.689 176.600 0.204 0.000 0.884 358 E CA -0.531 55.850 56.400 -0.032 0.000 0.753 358 E CB 2.034 31.511 29.700 -0.373 0.000 1.213 358 E HN 0.702 nan 8.360 nan 0.000 0.432 359 Q N 1.308 121.222 119.800 0.191 0.000 2.352 359 Q HA 0.389 4.729 4.340 -0.000 0.000 0.260 359 Q C -0.381 175.778 176.000 0.265 0.000 0.976 359 Q CA -0.185 55.770 55.803 0.252 0.000 0.881 359 Q CB 1.083 30.004 28.738 0.305 0.000 1.235 359 Q HN 0.504 nan 8.270 nan 0.000 0.419 360 S N 1.620 117.370 115.700 0.083 0.000 2.576 360 S HA 0.338 4.808 4.470 -0.000 0.000 0.276 360 S C -0.627 173.974 174.600 0.002 0.000 1.339 360 S CA -0.501 57.610 58.200 -0.148 0.000 1.039 360 S CB 0.455 63.466 63.200 -0.315 0.000 0.902 360 S HN 0.405 nan 8.310 nan 0.000 0.516 361 L N 3.688 124.885 121.223 -0.044 0.000 2.439 361 L HA 0.690 5.030 4.340 -0.000 0.000 0.270 361 L C -0.859 175.854 176.870 -0.261 0.000 0.972 361 L CA -0.700 54.022 54.840 -0.196 0.000 0.836 361 L CB 1.613 43.534 42.059 -0.230 0.000 1.255 361 L HN 0.493 nan 8.230 nan 0.000 0.404 362 V N 2.124 121.816 119.914 -0.370 0.000 2.667 362 V HA 0.772 4.892 4.120 -0.000 0.000 0.308 362 V C -1.061 174.892 176.094 -0.234 0.000 1.048 362 V CA -0.613 61.403 62.300 -0.474 0.000 0.928 362 V CB 1.651 33.008 31.823 -0.776 0.000 1.004 362 V HN 0.810 nan 8.190 nan 0.000 0.444 363 F N 5.179 124.928 119.950 -0.334 0.000 2.581 363 F HA 0.870 5.397 4.527 -0.000 0.000 0.311 363 F C -0.368 175.347 175.800 -0.142 0.000 1.113 363 F CA -0.303 57.599 58.000 -0.163 0.000 0.935 363 F CB 1.445 40.390 39.000 -0.091 0.000 1.232 363 F HN 1.222 nan 8.300 nan 0.000 0.445 364 C N 2.990 121.664 119.300 -1.043 0.000 3.320 364 C HA 0.788 5.248 4.460 -0.000 0.000 0.335 364 C C -1.779 172.767 174.990 -0.740 0.000 1.430 364 C CA -0.724 57.735 59.018 -0.931 0.000 1.271 364 C CB 1.753 29.202 27.740 -0.485 0.000 1.609 364 C HN 0.930 nan 8.230 nan 0.000 0.457 365 Q N 0.565 120.152 119.800 -0.356 0.000 2.394 365 Q HA 0.749 5.089 4.340 -0.000 0.000 0.273 365 Q C -0.706 175.343 176.000 0.082 0.000 1.089 365 Q CA -0.166 55.625 55.803 -0.020 0.000 0.812 365 Q CB 2.821 31.547 28.738 -0.019 0.000 1.353 365 Q HN 0.954 nan 8.270 nan 0.000 0.438 366 T N -2.426 112.242 114.554 0.190 0.000 2.924 366 T HA 0.680 5.030 4.350 -0.000 0.000 0.291 366 T C -0.471 174.291 174.700 0.103 0.000 1.045 366 T CA -0.711 61.448 62.100 0.099 0.000 1.015 366 T CB 1.301 70.210 68.868 0.068 0.000 1.103 366 T HN 0.247 nan 8.240 nan 0.000 0.496 367 V N 2.761 122.699 119.914 0.040 0.000 2.347 367 V HA 0.366 4.486 4.120 -0.000 0.000 0.280 367 V C 0.412 176.518 176.094 0.020 0.000 1.021 367 V CA -0.912 61.408 62.300 0.033 0.000 0.847 367 V CB 0.815 32.647 31.823 0.014 0.000 0.990 367 V HN 1.004 nan 8.190 nan 0.000 0.444 368 M N 4.794 124.419 119.600 0.042 0.000 2.226 368 M HA -0.017 4.463 4.480 -0.000 0.000 0.352 368 M C 0.914 177.220 176.300 0.010 0.000 1.226 368 M CA 0.873 56.194 55.300 0.036 0.000 0.943 368 M CB 0.416 33.038 32.600 0.037 0.000 1.805 368 M HN 0.955 nan 8.290 nan 0.000 0.465 369 S N 2.446 118.148 115.700 0.003 0.000 2.572 369 S HA 0.128 4.598 4.470 -0.000 0.000 0.279 369 S C 1.041 175.641 174.600 0.000 0.000 1.341 369 S CA -0.160 58.032 58.200 -0.013 0.000 1.043 369 S CB 0.719 63.906 63.200 -0.022 0.000 0.887 369 S HN 0.789 nan 8.310 nan 0.000 0.516 370 T N 1.595 116.146 114.554 -0.005 0.000 2.759 370 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 370 T C 1.579 176.286 174.700 0.012 0.000 1.042 370 T CA 1.874 63.976 62.100 0.004 0.000 1.140 370 T CB -0.527 68.340 68.868 -0.001 0.000 0.864 370 T HN 0.861 nan 8.240 nan 0.000 0.455 371 E N 0.368 120.572 120.200 0.006 0.000 2.110 371 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 371 E C 2.101 178.718 176.600 0.029 0.000 0.988 371 E CA 0.738 57.145 56.400 0.011 0.000 0.804 371 E CB -0.137 29.561 29.700 -0.002 0.000 0.745 371 E HN 0.441 nan 8.360 nan 0.000 0.458 372 L N 0.527 121.768 121.223 0.031 0.000 2.095 372 L HA -0.136 4.204 4.340 -0.000 0.000 0.204 372 L C 2.341 179.249 176.870 0.063 0.000 1.080 372 L CA 0.249 55.122 54.840 0.055 0.000 0.759 372 L CB -0.182 41.909 42.059 0.053 0.000 0.914 372 L HN 0.261 nan 8.230 nan 0.000 0.439 373 I N 0.037 120.632 120.570 0.041 0.000 2.179 373 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 373 I C 2.107 178.253 176.117 0.048 0.000 1.088 373 I CA 1.527 62.847 61.300 0.033 0.000 1.357 373 I CB -1.110 36.901 38.000 0.018 0.000 1.051 373 I HN 0.284 nan 8.210 nan 0.000 0.409 374 D N 0.766 121.195 120.400 0.048 0.000 2.178 374 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 374 D C 2.343 178.695 176.300 0.085 0.000 0.980 374 D CA 1.613 55.647 54.000 0.057 0.000 0.842 374 D CB -0.111 40.715 40.800 0.043 0.000 0.948 374 D HN 0.386 nan 8.370 nan 0.000 0.472 375 S N -0.058 115.704 115.700 0.103 0.000 2.442 375 S HA -0.103 4.367 4.470 -0.000 0.000 0.236 375 S C 2.163 176.932 174.600 0.283 0.000 1.007 375 S CA 0.573 58.871 58.200 0.164 0.000 0.965 375 S CB -0.490 62.800 63.200 0.150 0.000 0.773 375 S HN 0.074 nan 8.310 nan 0.000 0.504 376 V N 3.233 123.271 119.914 0.207 0.000 2.324 376 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 376 V C 2.374 178.604 176.094 0.227 0.000 1.060 376 V CA 2.240 64.666 62.300 0.211 0.000 1.042 376 V CB -0.796 31.054 31.823 0.044 0.000 0.650 376 V HN 0.829 nan 8.190 nan 0.000 0.450 377 K N 0.478 120.974 120.400 0.161 0.000 2.437 377 K HA 0.132 4.452 4.320 -0.000 0.000 0.205 377 K C 1.734 178.412 176.600 0.130 0.000 1.026 377 K CA 0.731 57.099 56.287 0.136 0.000 1.153 377 K CB 0.092 32.647 32.500 0.092 0.000 0.863 377 K HN 0.460 nan 8.250 nan 0.000 0.502 378 S N 1.361 117.161 115.700 0.167 0.000 2.387 378 S HA -0.203 4.267 4.470 -0.000 0.000 0.230 378 S C 1.047 175.673 174.600 0.044 0.000 1.035 378 S CA 1.553 59.804 58.200 0.086 0.000 1.014 378 S CB -0.321 62.902 63.200 0.039 0.000 0.836 378 S HN 0.370 nan 8.310 nan 0.000 0.466 379 D N 0.744 121.181 120.400 0.061 0.000 2.340 379 D HA 0.216 4.856 4.640 -0.000 0.000 0.220 379 D C 0.214 176.559 176.300 0.075 0.000 1.039 379 D CA 0.270 54.288 54.000 0.029 0.000 0.866 379 D CB -0.063 40.735 40.800 -0.004 0.000 0.913 379 D HN 0.382 nan 8.370 nan 0.000 0.523 380 M N 0.562 120.209 119.600 0.078 0.000 2.249 380 M HA 0.195 4.675 4.480 -0.000 0.000 0.351 380 M C 0.267 176.597 176.300 0.051 0.000 1.180 380 M CA 0.065 55.416 55.300 0.085 0.000 1.127 380 M CB 0.955 33.597 32.600 0.070 0.000 1.546 380 M HN -0.330 nan 8.290 nan 0.000 0.461 381 T N 4.512 119.089 114.554 0.039 0.000 2.743 381 T HA 0.656 5.006 4.350 -0.000 0.000 0.292 381 T C 0.071 174.749 174.700 -0.036 0.000 0.972 381 T CA -0.333 61.769 62.100 0.003 0.000 0.967 381 T CB 0.252 69.118 68.868 -0.003 0.000 0.926 381 T HN 0.416 nan 8.240 nan 0.000 0.459 382 I N 3.873 124.417 120.570 -0.044 0.000 2.389 382 I HA 0.477 4.647 4.170 -0.000 0.000 0.288 382 I C 0.346 176.416 176.117 -0.079 0.000 0.999 382 I CA -0.660 60.578 61.300 -0.104 0.000 1.129 382 I CB 1.310 39.292 38.000 -0.029 0.000 1.288 382 I HN 0.287 nan 8.210 nan 0.000 0.444 383 R N 4.039 124.451 120.500 -0.146 0.000 2.621 383 R HA 0.770 5.109 4.340 -0.000 0.000 0.292 383 R C 0.128 176.445 176.300 0.027 0.000 0.969 383 R CA -0.523 55.549 56.100 -0.046 0.000 0.887 383 R CB 2.176 32.448 30.300 -0.046 0.000 1.180 383 R HN 0.877 nan 8.270 nan 0.000 0.450 384 G N 0.998 109.868 108.800 0.117 0.000 2.584 384 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.229 384 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.229 384 G C -0.898 174.178 174.900 0.293 0.000 1.320 384 G CA -0.598 44.611 45.100 0.181 0.000 0.891 384 G HN 0.514 nan 8.290 nan 0.000 0.573 385 T N 3.137 117.819 114.554 0.213 0.000 2.792 385 T HA 0.630 4.979 4.350 -0.000 0.000 0.280 385 T C -2.601 171.952 174.700 -0.245 0.000 0.990 385 T CA -0.715 61.407 62.100 0.035 0.000 0.960 385 T CB 2.083 70.951 68.868 -0.001 0.000 0.939 385 T HN 0.508 nan 8.240 nan 0.000 0.439 386 P HA 0.214 nan 4.420 nan 0.000 0.262 386 P C 1.072 178.107 177.300 -0.441 0.000 1.182 386 P CA 1.022 63.480 63.100 -1.071 0.000 0.761 386 P CB 0.253 31.512 31.700 -0.735 0.000 0.795 387 G N 1.358 109.961 108.800 -0.328 0.000 2.176 387 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.232 387 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.232 387 G C -0.073 174.785 174.900 -0.071 0.000 0.986 387 G CA -0.352 44.664 45.100 -0.140 0.000 0.643 387 G HN 0.551 nan 8.290 nan 0.000 0.522 388 E N -0.205 119.964 120.200 -0.050 0.000 2.221 388 E HA 0.562 4.912 4.350 -0.000 0.000 0.268 388 E C 1.195 177.830 176.600 0.058 0.000 0.933 388 E CA -0.925 55.483 56.400 0.012 0.000 0.809 388 E CB 1.506 31.223 29.700 0.028 0.000 1.190 388 E HN 0.092 nan 8.360 nan 0.000 0.406 389 L N 0.705 121.956 121.223 0.046 0.000 2.265 389 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 389 L C 2.227 179.137 176.870 0.066 0.000 1.117 389 L CA 1.558 56.429 54.840 0.050 0.000 0.782 389 L CB -0.575 41.502 42.059 0.030 0.000 0.914 389 L HN 0.629 nan 8.230 nan 0.000 0.441 390 T N -4.606 109.994 114.554 0.076 0.000 3.081 390 T HA -0.094 4.256 4.350 -0.000 0.000 0.250 390 T C 0.588 175.352 174.700 0.108 0.000 1.100 390 T CA -0.273 61.870 62.100 0.071 0.000 1.038 390 T CB -0.356 68.544 68.868 0.054 0.000 0.962 390 T HN 0.128 nan 8.240 nan 0.000 0.516 391 Y N 3.868 124.170 120.300 0.002 0.000 2.610 391 Y HA 0.389 4.939 4.550 -0.000 0.000 0.332 391 Y C 0.239 176.142 175.900 0.005 0.000 1.201 391 Y CA -0.257 57.846 58.100 0.004 0.000 1.465 391 Y CB 0.399 38.861 38.460 0.002 0.000 1.283 391 Y HN 0.390 nan 8.280 nan 0.000 0.563 392 S N 3.924 119.353 115.700 -0.452 0.000 2.579 392 S HA 0.815 5.285 4.470 -0.000 0.000 0.272 392 S C -1.841 172.452 174.600 -0.511 0.000 1.141 392 S CA -1.002 56.961 58.200 -0.395 0.000 0.843 392 S CB 1.620 64.721 63.200 -0.164 0.000 1.122 392 S HN 0.526 nan 8.310 nan 0.000 0.468 393 V N 2.021 121.754 119.914 -0.300 0.000 2.488 393 V HA 0.763 4.883 4.120 -0.000 0.000 0.293 393 V C -0.101 175.974 176.094 -0.032 0.000 1.027 393 V CA -0.044 62.151 62.300 -0.175 0.000 0.862 393 V CB 1.145 32.892 31.823 -0.126 0.000 1.008 393 V HN 1.273 nan 8.190 nan 0.000 0.428 394 T N 1.649 116.208 114.554 0.008 0.000 2.887 394 T HA 0.917 5.267 4.350 -0.000 0.000 0.292 394 T C -0.997 173.806 174.700 0.172 0.000 1.087 394 T CA -0.745 61.395 62.100 0.066 0.000 1.009 394 T CB 2.559 71.414 68.868 -0.022 0.000 1.203 394 T HN 0.916 nan 8.240 nan 0.000 0.518 395 Y N -1.930 118.362 120.300 -0.012 0.000 2.655 395 Y HA 0.762 5.312 4.550 -0.000 0.000 0.336 395 Y C -0.937 174.957 175.900 -0.011 0.000 1.154 395 Y CA -1.324 56.771 58.100 -0.008 0.000 1.055 395 Y CB 0.789 39.252 38.460 0.005 0.000 1.295 395 Y HN 0.658 nan 8.280 nan 0.000 0.465 396 T N 4.290 118.839 114.554 -0.008 0.000 2.738 396 T HA 0.432 4.781 4.350 -0.000 0.000 0.298 396 T C -2.747 171.946 174.700 -0.011 0.000 0.962 396 T CA -1.250 60.793 62.100 -0.094 0.000 0.972 396 T CB 0.753 69.611 68.868 -0.018 0.000 0.928 396 T HN 0.354 nan 8.240 nan 0.000 0.474 397 P HA 0.264 nan 4.420 nan 0.000 0.271 397 P C 1.139 178.472 177.300 0.054 0.000 1.216 397 P CA 0.490 63.615 63.100 0.042 0.000 0.776 397 P CB 0.468 32.141 31.700 -0.045 0.000 0.881 398 G N 1.654 110.505 108.800 0.084 0.000 2.189 398 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 398 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 398 G C 0.497 175.408 174.900 0.018 0.000 0.975 398 G CA 0.158 45.284 45.100 0.043 0.000 0.644 398 G HN 0.874 nan 8.290 nan 0.000 0.537 399 A N 0.652 123.484 122.820 0.019 0.000 2.524 399 A HA 0.613 4.933 4.320 -0.000 0.000 0.250 399 A C 1.725 179.296 177.584 -0.022 0.000 1.078 399 A CA 1.262 53.297 52.037 -0.003 0.000 0.761 399 A CB 0.252 19.252 19.000 0.000 0.000 1.012 399 A HN 1.653 nan 8.150 nan 0.000 0.500 400 S N 1.797 117.482 115.700 -0.026 0.000 2.423 400 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 400 S C 1.507 176.074 174.600 -0.055 0.000 1.014 400 S CA 1.544 59.722 58.200 -0.036 0.000 0.965 400 S CB -0.876 62.308 63.200 -0.027 0.000 0.785 400 S HN 1.150 nan 8.310 nan 0.000 0.495 401 T N -0.507 114.015 114.554 -0.053 0.000 3.160 401 T HA 0.137 4.487 4.350 -0.000 0.000 0.257 401 T C 0.516 175.155 174.700 -0.103 0.000 1.147 401 T CA -0.290 61.767 62.100 -0.071 0.000 1.064 401 T CB -0.651 68.184 68.868 -0.055 0.000 0.949 401 T HN 0.184 nan 8.240 nan 0.000 0.526 402 N N 2.333 120.970 118.700 -0.104 0.000 2.454 402 N HA 0.121 4.861 4.740 -0.000 0.000 0.254 402 N C 1.057 176.398 175.510 -0.281 0.000 1.228 402 N CA -0.166 52.789 53.050 -0.158 0.000 0.900 402 N CB 0.883 39.298 38.487 -0.119 0.000 1.089 402 N HN 0.204 nan 8.380 nan 0.000 0.449 403 K N 1.165 121.294 120.400 -0.453 0.000 2.296 403 K HA 0.003 4.323 4.320 -0.000 0.000 0.200 403 K C 0.038 176.043 176.600 -0.992 0.000 1.048 403 K CA 0.964 56.821 56.287 -0.717 0.000 0.966 403 K CB 0.059 32.010 32.500 -0.914 0.000 0.754 403 K HN 0.569 nan 8.250 nan 0.000 0.466 404 H N 0.040 118.777 119.070 -0.555 0.000 2.679 404 H HA 0.318 4.873 4.556 -0.000 0.000 0.367 404 H C -2.297 172.670 175.328 -0.602 0.000 1.162 404 H CA -2.417 53.107 56.048 -0.874 0.000 1.181 404 H CB 1.478 30.230 29.762 -1.683 0.000 1.693 404 H HN -0.121 nan 8.280 nan 0.000 0.538 405 P HA 0.017 nan 4.420 nan 0.000 0.274 405 P C 0.224 177.306 177.300 -0.363 0.000 1.256 405 P CA -0.266 62.623 63.100 -0.352 0.000 0.795 405 P CB 1.397 32.900 31.700 -0.328 0.000 1.038 406 D N -0.087 120.239 120.400 -0.124 0.000 2.123 406 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 406 D C 1.950 178.247 176.300 -0.006 0.000 0.992 406 D CA 1.383 55.390 54.000 0.012 0.000 0.833 406 D CB -0.614 40.303 40.800 0.197 0.000 0.954 406 D HN 0.604 nan 8.370 nan 0.000 0.455 407 W N 0.461 121.829 121.300 0.113 0.000 2.342 407 W HA -0.166 4.494 4.660 -0.000 0.000 0.297 407 W C 1.974 178.572 176.519 0.131 0.000 1.213 407 W CA 0.315 57.725 57.345 0.109 0.000 1.251 407 W CB -1.419 28.100 29.460 0.099 0.000 1.136 407 W HN 0.083 nan 8.180 nan 0.000 0.526 408 W N 3.618 124.354 121.300 -0.940 0.000 2.354 408 W HA -0.189 4.471 4.660 -0.000 0.000 0.315 408 W C 1.910 178.154 176.519 -0.458 0.000 1.206 408 W CA 1.887 58.740 57.345 -0.821 0.000 1.290 408 W CB -1.095 27.657 29.460 -1.181 0.000 1.152 408 W HN -0.093 nan 8.180 nan 0.000 0.489 409 N N 0.964 119.606 118.700 -0.097 0.000 2.166 409 N HA -0.203 4.537 4.740 -0.000 0.000 0.186 409 N C 1.520 176.766 175.510 -0.441 0.000 1.019 409 N CA 1.944 54.747 53.050 -0.411 0.000 0.856 409 N CB -0.706 37.154 38.487 -1.045 0.000 0.993 409 N HN 0.237 nan 8.380 nan 0.000 0.426 410 E N 1.528 121.573 120.200 -0.259 0.000 2.058 410 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 410 E C 1.661 178.298 176.600 0.060 0.000 0.997 410 E CA 1.463 57.889 56.400 0.042 0.000 0.801 410 E CB 0.021 29.828 29.700 0.178 0.000 0.746 410 E HN 0.267 nan 8.360 nan 0.000 0.450 411 K N -0.543 119.885 120.400 0.047 0.000 2.026 411 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 411 K C 2.153 178.753 176.600 -0.000 0.000 1.048 411 K CA 1.404 57.714 56.287 0.038 0.000 0.929 411 K CB -0.229 32.288 32.500 0.029 0.000 0.713 411 K HN 0.011 nan 8.250 nan 0.000 0.439 412 V N 1.969 121.841 119.914 -0.070 0.000 2.255 412 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 412 V C 2.382 178.508 176.094 0.053 0.000 1.051 412 V CA 1.963 64.241 62.300 -0.038 0.000 1.018 412 V CB -0.477 31.312 31.823 -0.055 0.000 0.641 412 V HN 0.372 nan 8.190 nan 0.000 0.445 413 K N 0.098 120.525 120.400 0.045 0.000 2.044 413 K HA -0.270 4.050 4.320 -0.000 0.000 0.210 413 K C 2.028 178.680 176.600 0.086 0.000 1.049 413 K CA 2.197 58.537 56.287 0.087 0.000 0.927 413 K CB -0.259 32.336 32.500 0.160 0.000 0.713 413 K HN 0.439 nan 8.250 nan 0.000 0.443 414 N N 0.041 118.798 118.700 0.095 0.000 2.188 414 N HA -0.167 4.573 4.740 -0.000 0.000 0.184 414 N C 1.755 177.316 175.510 0.086 0.000 1.018 414 N CA 1.350 54.451 53.050 0.085 0.000 0.858 414 N CB -0.506 38.039 38.487 0.097 0.000 0.989 414 N HN 0.434 nan 8.380 nan 0.000 0.426 415 H N 0.583 119.677 119.070 0.039 0.000 2.321 415 H HA 0.096 4.652 4.556 -0.000 0.000 0.300 415 H C 2.024 177.391 175.328 0.065 0.000 1.087 415 H CA 1.771 57.851 56.048 0.053 0.000 1.319 415 H CB -0.061 29.645 29.762 -0.094 0.000 1.379 415 H HN 0.088 nan 8.280 nan 0.000 0.501 416 M N -0.864 118.724 119.600 -0.020 0.000 2.254 416 M HA -0.104 4.376 4.480 -0.000 0.000 0.265 416 M C 1.756 178.091 176.300 0.059 0.000 1.066 416 M CA 0.874 56.168 55.300 -0.010 0.000 1.123 416 M CB 0.117 32.792 32.600 0.125 0.000 1.388 416 M HN 0.329 nan 8.290 nan 0.000 0.425 417 M N -0.188 119.439 119.600 0.044 0.000 2.193 417 M HA -0.095 4.385 4.480 -0.000 0.000 0.265 417 M C 2.015 178.297 176.300 -0.030 0.000 1.071 417 M CA 1.599 56.933 55.300 0.057 0.000 1.140 417 M CB -0.965 31.655 32.600 0.033 0.000 1.369 417 M HN 0.283 nan 8.290 nan 0.000 0.423 418 Q N -0.744 118.972 119.800 -0.141 0.000 2.269 418 Q HA -0.034 4.306 4.340 -0.000 0.000 0.201 418 Q C 0.095 175.785 176.000 -0.517 0.000 0.946 418 Q CA 0.816 56.422 55.803 -0.328 0.000 0.877 418 Q CB 0.304 28.786 28.738 -0.427 0.000 0.963 418 Q HN 0.589 nan 8.270 nan 0.000 0.472 419 H N 0.528 119.520 119.070 -0.130 0.000 2.317 419 H HA 0.238 4.794 4.556 -0.000 0.000 0.231 419 H C 0.312 175.553 175.328 -0.144 0.000 1.442 419 H CA -0.096 55.876 56.048 -0.127 0.000 1.336 419 H CB 0.473 30.132 29.762 -0.173 0.000 1.533 419 H HN 0.232 nan 8.280 nan 0.000 0.522 420 Q N 0.661 120.446 119.800 -0.025 0.000 2.436 420 Q HA -0.097 4.243 4.340 -0.000 0.000 0.209 420 Q C 1.932 177.890 176.000 -0.070 0.000 0.965 420 Q CA 0.633 56.385 55.803 -0.085 0.000 0.910 420 Q CB 0.440 29.085 28.738 -0.156 0.000 0.980 420 Q HN 0.533 nan 8.270 nan 0.000 0.491 421 E N 1.095 121.299 120.200 0.006 0.000 2.358 421 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 421 E C -0.361 176.278 176.600 0.065 0.000 1.010 421 E CA 0.544 56.961 56.400 0.028 0.000 0.856 421 E CB 0.044 29.779 29.700 0.058 0.000 0.795 421 E HN 0.140 nan 8.360 nan 0.000 0.504 422 D N 2.291 122.747 120.400 0.094 0.000 2.277 422 D HA 0.102 4.742 4.640 -0.000 0.000 0.249 422 D C -1.514 174.839 176.300 0.087 0.000 1.134 422 D CA -2.043 52.038 54.000 0.134 0.000 0.863 422 D CB 1.525 42.445 40.800 0.200 0.000 1.143 422 D HN -0.109 nan 8.370 nan 0.000 0.458 423 P HA 0.082 nan 4.420 nan 0.000 0.249 423 P C -0.266 177.076 177.300 0.069 0.000 1.229 423 P CA 0.191 63.329 63.100 0.062 0.000 0.788 423 P CB 0.366 32.095 31.700 0.048 0.000 1.072 424 L N 1.763 123.038 121.223 0.087 0.000 2.331 424 L HA 0.382 4.722 4.340 -0.000 0.000 0.275 424 L C -1.416 175.487 176.870 0.056 0.000 1.022 424 L CA -2.263 52.601 54.840 0.041 0.000 0.812 424 L CB 2.407 44.458 42.059 -0.014 0.000 1.257 424 L HN -0.307 nan 8.230 nan 0.000 0.435 425 P HA 0.098 nan 4.420 nan 0.000 0.255 425 P C 0.253 177.414 177.300 -0.231 0.000 1.248 425 P CA 0.470 63.571 63.100 0.001 0.000 0.807 425 P CB 0.466 32.167 31.700 0.002 0.000 1.150 426 I N 2.773 123.120 120.570 -0.373 0.000 2.441 426 I HA 0.199 4.369 4.170 -0.000 0.000 0.287 426 I C -2.004 173.621 176.117 -0.820 0.000 1.049 426 I CA -2.705 58.308 61.300 -0.478 0.000 1.381 426 I CB 0.677 38.485 38.000 -0.319 0.000 1.409 426 I HN -0.199 nan 8.210 nan 0.000 0.523 427 P HA 0.024 nan 4.420 nan 0.000 0.269 427 P C 0.324 177.371 177.300 -0.421 0.000 1.215 427 P CA -0.008 62.697 63.100 -0.659 0.000 0.780 427 P CB 0.372 31.931 31.700 -0.235 0.000 0.898 428 F N 0.364 120.198 119.950 -0.193 0.000 2.161 428 F HA -0.118 4.409 4.527 -0.000 0.000 0.300 428 F C 1.695 177.457 175.800 -0.063 0.000 1.089 428 F CA 1.587 59.521 58.000 -0.111 0.000 1.282 428 F CB -0.840 38.110 39.000 -0.084 0.000 1.010 428 F HN 0.372 nan 8.300 nan 0.000 0.485 429 E N -0.067 120.221 120.200 0.147 0.000 2.496 429 E HA 0.032 4.382 4.350 -0.000 0.000 0.202 429 E C -0.454 176.171 176.600 0.040 0.000 1.021 429 E CA -0.264 56.189 56.400 0.088 0.000 1.015 429 E CB -0.227 29.526 29.700 0.089 0.000 1.102 429 E HN 0.170 nan 8.360 nan 0.000 0.452 430 D N 2.497 122.900 120.400 0.004 0.000 2.458 430 D HA 0.040 4.680 4.640 -0.000 0.000 0.243 430 D C -2.246 174.077 176.300 0.039 0.000 1.146 430 D CA -1.546 52.447 54.000 -0.011 0.000 0.877 430 D CB 0.838 41.594 40.800 -0.074 0.000 1.176 430 D HN -0.100 nan 8.370 nan 0.000 0.461 431 P HA 0.071 nan 4.420 nan 0.000 0.271 431 P C -0.389 177.032 177.300 0.203 0.000 1.244 431 P CA -0.375 62.823 63.100 0.163 0.000 0.793 431 P CB 0.334 32.128 31.700 0.157 0.000 0.984 432 E N 1.691 122.028 120.200 0.230 0.000 2.392 432 E HA 0.167 4.517 4.350 -0.000 0.000 0.256 432 E C -2.383 174.248 176.600 0.052 0.000 1.145 432 E CA -1.833 54.617 56.400 0.084 0.000 0.929 432 E CB -0.995 28.704 29.700 -0.001 0.000 0.998 432 E HN 0.259 nan 8.360 nan 0.000 0.442 433 P HA 0.060 nan 4.420 nan 0.000 0.272 433 P C -0.458 176.872 177.300 0.049 0.000 1.230 433 P CA -0.055 63.139 63.100 0.156 0.000 0.788 433 P CB 0.497 32.246 31.700 0.082 0.000 0.949 434 Q N 0.373 120.317 119.800 0.241 0.000 3.853 434 Q HA 0.271 4.611 4.340 -0.000 0.000 0.220 434 Q C -1.140 174.986 176.000 0.210 0.000 0.826 434 Q CA -0.217 55.617 55.803 0.051 0.000 0.821 434 Q CB 0.878 29.431 28.738 -0.308 0.000 1.546 434 Q HN 0.185 nan 8.270 nan 0.000 0.410 435 V N 0.780 120.763 119.914 0.115 0.000 2.483 435 V HA 0.734 4.854 4.120 -0.000 0.000 0.295 435 V C 0.155 176.268 176.094 0.031 0.000 1.035 435 V CA -0.266 62.083 62.300 0.082 0.000 0.896 435 V CB 2.014 33.817 31.823 -0.033 0.000 0.986 435 V HN 0.439 nan 8.190 nan 0.000 0.447 436 T N 2.118 116.715 114.554 0.071 0.000 2.903 436 T HA 0.513 4.863 4.350 -0.000 0.000 0.299 436 T C -0.865 173.803 174.700 -0.053 0.000 1.093 436 T CA -0.350 61.735 62.100 -0.025 0.000 1.002 436 T CB 1.899 70.734 68.868 -0.054 0.000 1.127 436 T HN 0.792 nan 8.240 nan 0.000 0.488 437 T N 4.481 118.879 114.554 -0.260 0.000 2.791 437 T HA 0.589 4.938 4.350 -0.000 0.000 0.288 437 T C 0.023 174.600 174.700 -0.205 0.000 0.999 437 T CA -0.643 61.184 62.100 -0.456 0.000 0.952 437 T CB -0.127 68.080 68.868 -1.101 0.000 0.938 437 T HN 0.545 nan 8.240 nan 0.000 0.444 438 L N 4.167 125.332 121.223 -0.097 0.000 2.482 438 L HA 0.339 4.679 4.340 -0.000 0.000 0.273 438 L C 0.866 177.716 176.870 -0.032 0.000 1.228 438 L CA -0.806 54.048 54.840 0.023 0.000 0.827 438 L CB 0.138 42.211 42.059 0.024 0.000 1.099 438 L HN 0.625 nan 8.230 nan 0.000 0.494 439 F N 2.272 122.142 119.950 -0.134 0.000 2.623 439 F HA -0.057 4.470 4.527 -0.000 0.000 0.381 439 F C 0.207 175.743 175.800 -0.440 0.000 1.081 439 F CA 0.590 58.420 58.000 -0.283 0.000 1.293 439 F CB 0.156 39.047 39.000 -0.180 0.000 1.006 439 F HN 0.364 nan 8.300 nan 0.000 0.578 440 Q N 6.389 125.696 119.800 -0.823 0.000 2.391 440 Q HA 0.231 4.571 4.340 -0.000 0.000 0.279 440 Q C -2.086 173.478 176.000 -0.727 0.000 1.028 440 Q CA -1.724 53.698 55.803 -0.636 0.000 0.836 440 Q CB 1.598 29.830 28.738 -0.843 0.000 1.414 440 Q HN 0.245 nan 8.270 nan 0.000 0.397 441 P HA -0.176 nan 4.420 nan 0.000 0.217 441 P C 1.152 178.249 177.300 -0.338 0.000 1.148 441 P CA 1.845 64.782 63.100 -0.273 0.000 0.828 441 P CB 0.372 32.007 31.700 -0.108 0.000 0.783 442 S N -1.436 114.067 115.700 -0.327 0.000 2.528 442 S HA -0.073 4.397 4.470 -0.000 0.000 0.219 442 S C 0.535 174.943 174.600 -0.320 0.000 0.985 442 S CA -0.102 57.965 58.200 -0.223 0.000 0.914 442 S CB -1.152 61.999 63.200 -0.083 0.000 0.776 442 S HN 0.397 nan 8.310 nan 0.000 0.526 443 H N -0.717 117.921 119.070 -0.720 0.000 2.607 443 H HA 0.518 5.074 4.556 -0.000 0.000 0.248 443 H C -3.171 171.113 175.328 -1.739 0.000 1.355 443 H CA -1.921 53.320 56.048 -1.344 0.000 1.524 443 H CB 0.856 30.012 29.762 -1.010 0.000 1.563 443 H HN 0.071 nan 8.280 nan 0.000 0.509 444 P HA 0.105 nan 4.420 nan 0.000 0.214 444 P C -1.340 175.462 177.300 -0.829 0.000 1.826 444 P CA 0.059 62.106 63.100 -1.755 0.000 0.977 444 P CB -1.002 30.211 31.700 -0.812 0.000 1.930 445 W N -0.151 120.899 121.300 -0.417 0.000 3.167 445 W HA 0.514 5.174 4.660 -0.000 0.000 0.324 445 W C -0.776 175.849 176.519 0.176 0.000 1.230 445 W CA -1.269 56.125 57.345 0.080 0.000 1.184 445 W CB 0.085 29.618 29.460 0.121 0.000 1.414 445 W HN 0.010 nan 8.180 nan 0.000 0.551 446 H N 1.235 120.561 119.070 0.427 0.000 2.551 446 H HA 0.649 5.205 4.556 -0.000 0.000 0.358 446 H C -0.052 175.409 175.328 0.222 0.000 1.151 446 H CA 0.590 56.789 56.048 0.252 0.000 1.374 446 H CB 1.381 31.242 29.762 0.165 0.000 1.473 446 H HN 0.572 nan 8.280 nan 0.000 0.574 447 T N 2.110 116.334 114.554 -0.551 0.000 2.893 447 T HA 0.519 4.869 4.350 -0.000 0.000 0.291 447 T C -0.784 173.575 174.700 -0.567 0.000 1.028 447 T CA -1.116 60.622 62.100 -0.604 0.000 0.995 447 T CB 1.663 70.055 68.868 -0.792 0.000 1.051 447 T HN 0.669 nan 8.240 nan 0.000 0.470 448 Q N 1.733 121.401 119.800 -0.219 0.000 2.305 448 Q HA 0.565 4.905 4.340 -0.000 0.000 0.271 448 Q C -1.261 174.650 176.000 -0.148 0.000 1.046 448 Q CA -0.698 54.937 55.803 -0.281 0.000 0.798 448 Q CB 2.735 31.193 28.738 -0.466 0.000 1.286 448 Q HN 0.717 nan 8.270 nan 0.000 0.435 449 I N 3.414 123.862 120.570 -0.202 0.000 2.563 449 I HA 0.339 4.509 4.170 -0.000 0.000 0.276 449 I C -0.530 175.496 176.117 -0.152 0.000 1.074 449 I CA -0.250 60.801 61.300 -0.415 0.000 1.124 449 I CB 0.529 38.142 38.000 -0.645 0.000 1.225 449 I HN 0.738 nan 8.210 nan 0.000 0.482 450 H N 3.573 122.487 119.070 -0.260 0.000 2.917 450 H HA 0.680 5.236 4.556 -0.000 0.000 0.269 450 H C -1.302 173.991 175.328 -0.058 0.000 1.488 450 H CA -1.344 54.634 56.048 -0.116 0.000 1.173 450 H CB 1.482 31.209 29.762 -0.057 0.000 1.868 450 H HN 0.109 nan 8.280 nan 0.000 0.600 451 R N 1.271 121.648 120.500 -0.205 0.000 2.538 451 R HA 0.403 4.742 4.340 -0.000 0.000 0.292 451 R C -1.612 174.531 176.300 -0.262 0.000 1.008 451 R CA -0.600 55.335 56.100 -0.276 0.000 0.896 451 R CB 1.906 32.147 30.300 -0.098 0.000 1.187 451 R HN 0.845 nan 8.270 nan 0.000 0.440 452 D N 0.386 120.641 120.400 -0.242 0.000 2.665 452 D HA 0.500 5.140 4.640 -0.000 0.000 0.287 452 D C -1.366 174.890 176.300 -0.074 0.000 1.266 452 D CA -0.416 53.496 54.000 -0.148 0.000 0.830 452 D CB 2.561 43.302 40.800 -0.099 0.000 1.356 452 D HN 0.492 nan 8.370 nan 0.000 0.437 453 A N 0.976 123.641 122.820 -0.259 0.000 2.290 453 A HA 0.687 5.007 4.320 -0.000 0.000 0.310 453 A C -1.123 176.227 177.584 -0.391 0.000 1.202 453 A CA -0.137 51.807 52.037 -0.155 0.000 0.837 453 A CB 0.042 19.049 19.000 0.012 0.000 1.139 453 A HN 0.326 nan 8.150 nan 0.000 0.509 454 F N 0.169 119.970 119.950 -0.249 0.000 2.849 454 F HA 0.428 4.955 4.527 -0.000 0.000 0.341 454 F C 1.678 177.306 175.800 -0.286 0.000 1.185 454 F CA 0.091 57.910 58.000 -0.301 0.000 1.007 454 F CB 1.369 40.030 39.000 -0.564 0.000 1.454 454 F HN 0.522 nan 8.300 nan 0.000 0.518 455 S N -1.063 114.674 115.700 0.062 0.000 2.561 455 S HA 0.041 4.511 4.470 -0.000 0.000 0.225 455 S C -0.080 174.600 174.600 0.133 0.000 0.977 455 S CA 0.527 58.760 58.200 0.055 0.000 0.926 455 S CB -0.962 62.291 63.200 0.089 0.000 0.769 455 S HN 0.530 nan 8.310 nan 0.000 0.533 456 Y N -0.918 119.339 120.300 -0.070 0.000 2.968 456 Y HA 0.806 5.355 4.550 -0.000 0.000 0.316 456 Y C 0.354 176.169 175.900 -0.142 0.000 1.359 456 Y CA -1.411 56.605 58.100 -0.140 0.000 1.107 456 Y CB 0.145 38.450 38.460 -0.259 0.000 1.374 456 Y HN 0.362 nan 8.280 nan 0.000 0.621 457 G N -0.428 108.284 108.800 -0.147 0.000 2.911 457 G HA2 0.440 4.400 3.960 -0.000 0.000 0.686 457 G HA3 0.440 4.400 3.960 -0.000 0.000 0.686 457 G C -0.403 174.528 174.900 0.052 0.000 1.136 457 G CA -0.575 44.456 45.100 -0.115 0.000 0.764 457 G HN 1.663 nan 8.290 nan 0.000 0.626 458 A N 0.887 123.802 122.820 0.158 0.000 2.589 458 A HA 0.326 4.646 4.320 -0.000 0.000 0.265 458 A C 1.121 178.749 177.584 0.073 0.000 0.973 458 A CA 0.990 53.100 52.037 0.122 0.000 0.902 458 A CB 0.164 19.234 19.000 0.118 0.000 0.846 458 A HN 1.986 nan 8.150 nan 0.000 0.489 459 V N 5.190 125.142 119.914 0.064 0.000 2.222 459 V HA 0.358 4.478 4.120 -0.000 0.000 0.253 459 V C 0.242 176.365 176.094 0.048 0.000 1.210 459 V CA 0.665 62.994 62.300 0.049 0.000 1.079 459 V CB -0.379 31.468 31.823 0.040 0.000 1.265 459 V HN 1.093 nan 8.190 nan 0.000 0.494 460 Q N 2.744 122.573 119.800 0.048 0.000 2.456 460 Q HA 0.560 4.900 4.340 -0.000 0.000 0.284 460 Q C -0.549 175.475 176.000 0.039 0.000 1.061 460 Q CA -0.591 55.238 55.803 0.043 0.000 0.799 460 Q CB 1.918 30.685 28.738 0.048 0.000 1.445 460 Q HN 0.069 nan 8.270 nan 0.000 0.411 461 Q N 0.324 120.144 119.800 0.034 0.000 2.126 461 Q HA 0.151 4.491 4.340 -0.000 0.000 0.233 461 Q C 0.614 176.631 176.000 0.029 0.000 0.788 461 Q CA 0.957 56.778 55.803 0.030 0.000 0.968 461 Q CB 1.283 30.037 28.738 0.025 0.000 1.163 461 Q HN 0.883 nan 8.270 nan 0.000 0.471 462 S N -0.911 114.807 115.700 0.029 0.000 2.478 462 S HA 0.158 4.628 4.470 -0.000 0.000 0.222 462 S C 0.916 175.533 174.600 0.029 0.000 1.008 462 S CA -0.049 58.166 58.200 0.026 0.000 0.928 462 S CB 0.418 63.632 63.200 0.024 0.000 0.781 462 S HN 0.030 nan 8.310 nan 0.000 0.518 463 I N 2.932 123.522 120.570 0.033 0.000 2.377 463 I HA 0.384 4.554 4.170 -0.000 0.000 0.293 463 I C 0.040 176.181 176.117 0.039 0.000 0.987 463 I CA -1.349 59.972 61.300 0.035 0.000 1.185 463 I CB 1.281 39.302 38.000 0.035 0.000 1.341 463 I HN 0.232 nan 8.210 nan 0.000 0.455 464 D N 3.656 124.081 120.400 0.041 0.000 2.493 464 D HA -0.058 4.582 4.640 -0.000 0.000 0.240 464 D C 1.204 177.532 176.300 0.046 0.000 1.142 464 D CA 0.233 54.263 54.000 0.049 0.000 0.872 464 D CB 1.262 42.094 40.800 0.054 0.000 1.173 464 D HN 0.669 nan 8.370 nan 0.000 0.467 465 S N 4.188 119.918 115.700 0.050 0.000 2.419 465 S HA -0.180 4.289 4.470 -0.000 0.000 0.233 465 S C 1.637 176.261 174.600 0.040 0.000 1.016 465 S CA 0.599 58.827 58.200 0.047 0.000 0.974 465 S CB -0.046 63.182 63.200 0.048 0.000 0.786 465 S HN 0.550 nan 8.310 nan 0.000 0.492 466 R N 0.829 121.350 120.500 0.035 0.000 2.193 466 R HA 0.151 4.491 4.340 -0.000 0.000 0.229 466 R C 1.835 178.140 176.300 0.009 0.000 1.110 466 R CA 1.253 57.358 56.100 0.010 0.000 0.988 466 R CB -0.582 29.704 30.300 -0.023 0.000 0.871 466 R HN 0.460 nan 8.270 nan 0.000 0.458 467 L N 0.445 121.681 121.223 0.023 0.000 2.492 467 L HA 0.125 4.465 4.340 -0.000 0.000 0.223 467 L C 0.638 177.539 176.870 0.052 0.000 1.132 467 L CA 0.170 55.029 54.840 0.031 0.000 0.850 467 L CB 0.035 42.112 42.059 0.030 0.000 0.966 467 L HN 0.062 nan 8.230 nan 0.000 0.454 468 I N 0.555 121.158 120.570 0.055 0.000 2.325 468 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 468 I C -0.564 175.600 176.117 0.079 0.000 1.019 468 I CA -0.335 61.009 61.300 0.074 0.000 1.302 468 I CB 1.523 39.563 38.000 0.067 0.000 1.401 468 I HN -0.273 nan 8.210 nan 0.000 0.485 469 V N 5.376 125.370 119.914 0.135 0.000 2.540 469 V HA 0.301 4.421 4.120 -0.000 0.000 0.302 469 V C -0.539 175.631 176.094 0.127 0.000 1.035 469 V CA -0.839 61.519 62.300 0.098 0.000 0.873 469 V CB 1.980 33.883 31.823 0.133 0.000 0.992 469 V HN 0.590 nan 8.190 nan 0.000 0.428 470 D N 2.936 123.324 120.400 -0.020 0.000 2.264 470 D HA 0.407 5.047 4.640 -0.000 0.000 0.249 470 D C -0.931 175.299 176.300 -0.116 0.000 1.070 470 D CA 0.091 54.115 54.000 0.040 0.000 0.912 470 D CB 1.173 41.994 40.800 0.035 0.000 1.193 470 D HN 0.451 nan 8.370 nan 0.000 0.427 471 W N 1.213 122.550 121.300 0.063 0.000 2.554 471 W HA 0.415 5.075 4.660 -0.000 0.000 0.324 471 W C 0.130 176.735 176.519 0.144 0.000 1.018 471 W CA -0.833 56.585 57.345 0.122 0.000 1.243 471 W CB 1.216 30.640 29.460 -0.060 0.000 1.345 471 W HN -0.072 nan 8.180 nan 0.000 0.441 472 R N 3.085 123.833 120.500 0.413 0.000 2.473 472 R HA 0.517 4.857 4.340 -0.000 0.000 0.303 472 R C -1.556 174.934 176.300 0.316 0.000 1.002 472 R CA -0.833 55.388 56.100 0.201 0.000 0.884 472 R CB 1.537 31.883 30.300 0.077 0.000 1.173 472 R HN 0.159 nan 8.270 nan 0.000 0.464 473 F N 3.082 122.895 119.950 -0.228 0.000 2.482 473 F HA 0.495 5.022 4.527 -0.000 0.000 0.331 473 F C -0.366 175.324 175.800 -0.183 0.000 1.115 473 F CA -1.488 56.471 58.000 -0.069 0.000 0.955 473 F CB 1.125 40.065 39.000 -0.100 0.000 1.136 473 F HN 0.294 nan 8.300 nan 0.000 0.452 474 F N 1.449 121.596 119.950 0.327 0.000 2.427 474 F HA 0.649 5.176 4.527 -0.000 0.000 0.348 474 F C 0.662 176.661 175.800 0.332 0.000 1.125 474 F CA -1.108 57.071 58.000 0.299 0.000 0.989 474 F CB 1.423 40.651 39.000 0.380 0.000 1.165 474 F HN 0.530 nan 8.300 nan 0.000 0.442 475 G N 2.286 111.315 108.800 0.382 0.000 2.477 475 G HA2 0.632 4.592 3.960 -0.000 0.000 0.304 475 G HA3 0.632 4.592 3.960 -0.000 0.000 0.304 475 G C -0.797 174.282 174.900 0.298 0.000 1.175 475 G CA -1.020 44.286 45.100 0.343 0.000 0.907 475 G HN 0.704 nan 8.290 nan 0.000 0.509 476 R N -0.877 119.797 120.500 0.289 0.000 2.540 476 R HA 0.687 5.027 4.340 -0.000 0.000 0.287 476 R C -1.056 175.340 176.300 0.160 0.000 0.980 476 R CA -0.612 55.591 56.100 0.171 0.000 0.966 476 R CB 1.390 31.821 30.300 0.219 0.000 1.106 476 R HN 0.279 nan 8.270 nan 0.000 0.480 477 T N 2.297 116.918 114.554 0.111 0.000 2.812 477 T HA 0.171 4.521 4.350 -0.000 0.000 0.282 477 T C -0.829 173.960 174.700 0.148 0.000 0.990 477 T CA -0.811 61.405 62.100 0.194 0.000 0.960 477 T CB 1.283 70.350 68.868 0.332 0.000 0.948 477 T HN 0.591 nan 8.240 nan 0.000 0.438 478 E N 4.287 124.574 120.200 0.145 0.000 2.415 478 E HA 0.137 4.487 4.350 -0.000 0.000 0.263 478 E C -2.233 174.450 176.600 0.140 0.000 0.995 478 E CA -1.545 54.931 56.400 0.127 0.000 0.915 478 E CB 0.073 29.837 29.700 0.107 0.000 0.951 478 E HN 0.294 nan 8.360 nan 0.000 0.449 479 P HA 0.061 nan 4.420 nan 0.000 0.271 479 P C -0.827 176.624 177.300 0.252 0.000 1.226 479 P CA 0.076 63.319 63.100 0.237 0.000 0.765 479 P CB 0.626 32.490 31.700 0.273 0.000 0.835 480 K N 2.640 123.124 120.400 0.139 0.000 2.427 480 K HA 0.155 4.475 4.320 -0.000 0.000 0.252 480 K C 0.988 177.404 176.600 -0.307 0.000 0.931 480 K CA -0.719 55.561 56.287 -0.012 0.000 0.793 480 K CB 2.118 34.577 32.500 -0.067 0.000 1.211 480 K HN 0.388 nan 8.250 nan 0.000 0.426 481 E N 2.597 122.454 120.200 -0.571 0.000 2.153 481 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 481 E C 0.798 177.130 176.600 -0.448 0.000 0.988 481 E CA 1.470 57.287 56.400 -0.972 0.000 0.811 481 E CB 0.529 29.899 29.700 -0.551 0.000 0.746 481 E HN 0.647 nan 8.360 nan 0.000 0.466 482 E N 0.237 120.282 120.200 -0.258 0.000 2.418 482 E HA -0.082 4.268 4.350 -0.000 0.000 0.197 482 E C -0.048 176.481 176.600 -0.119 0.000 1.026 482 E CA 0.132 56.437 56.400 -0.157 0.000 0.862 482 E CB -0.311 29.315 29.700 -0.123 0.000 0.799 482 E HN 0.002 nan 8.360 nan 0.000 0.518 483 N N 1.931 120.549 118.700 -0.136 0.000 2.408 483 N HA 0.197 4.937 4.740 -0.000 0.000 0.257 483 N C -0.815 174.748 175.510 0.088 0.000 1.064 483 N CA 0.033 53.054 53.050 -0.049 0.000 0.952 483 N CB 1.219 39.633 38.487 -0.123 0.000 1.093 483 N HN 0.101 nan 8.380 nan 0.000 0.490 484 K N 1.249 121.758 120.400 0.182 0.000 2.469 484 K HA 0.443 4.763 4.320 -0.000 0.000 0.254 484 K C -1.138 175.615 176.600 0.256 0.000 0.939 484 K CA -0.924 55.492 56.287 0.215 0.000 0.812 484 K CB 2.472 35.103 32.500 0.218 0.000 1.301 484 K HN 0.187 nan 8.250 nan 0.000 0.433 485 L N 4.072 125.399 121.223 0.174 0.000 2.298 485 L HA 0.558 4.898 4.340 -0.000 0.000 0.284 485 L C -1.215 175.610 176.870 -0.075 0.000 1.013 485 L CA -0.073 54.706 54.840 -0.102 0.000 0.824 485 L CB 0.467 42.467 42.059 -0.100 0.000 1.221 485 L HN 0.679 nan 8.230 nan 0.000 0.418 486 W N 3.551 124.575 121.300 -0.460 0.000 3.017 486 W HA 0.621 5.280 4.660 -0.000 0.000 0.341 486 W C -2.102 173.901 176.519 -0.859 0.000 1.180 486 W CA -1.278 55.819 57.345 -0.413 0.000 1.097 486 W CB 0.813 30.198 29.460 -0.125 0.000 1.468 486 W HN 0.308 nan 8.180 nan 0.000 0.584 487 F N 1.516 121.636 119.950 0.282 0.000 2.493 487 F HA 0.336 4.863 4.527 -0.000 0.000 0.329 487 F C 0.847 176.807 175.800 0.268 0.000 1.126 487 F CA -0.892 57.171 58.000 0.106 0.000 0.937 487 F CB 1.973 41.024 39.000 0.084 0.000 1.146 487 F HN 0.235 nan 8.300 nan 0.000 0.442 488 S N 1.178 117.008 115.700 0.217 0.000 2.560 488 S HA 0.017 4.487 4.470 -0.000 0.000 0.284 488 S C 0.789 175.531 174.600 0.236 0.000 1.327 488 S CA -0.404 57.956 58.200 0.268 0.000 1.055 488 S CB 0.306 63.575 63.200 0.114 0.000 0.868 488 S HN 0.680 nan 8.310 nan 0.000 0.506 489 D N 3.095 123.619 120.400 0.207 0.000 2.339 489 D HA 0.136 4.776 4.640 -0.000 0.000 0.217 489 D C 1.094 177.453 176.300 0.098 0.000 1.050 489 D CA 0.526 54.605 54.000 0.133 0.000 0.856 489 D CB 0.242 41.103 40.800 0.101 0.000 0.922 489 D HN 0.367 nan 8.370 nan 0.000 0.518 490 K N -0.279 120.183 120.400 0.103 0.000 2.363 490 K HA 0.171 4.491 4.320 -0.000 0.000 0.215 490 K C 0.449 177.089 176.600 0.066 0.000 1.179 490 K CA -0.253 56.079 56.287 0.075 0.000 0.856 490 K CB 0.677 33.222 32.500 0.074 0.000 1.371 490 K HN 0.035 nan 8.250 nan 0.000 0.455 491 I N 3.575 124.186 120.570 0.068 0.000 2.648 491 I HA -0.009 4.161 4.170 -0.000 0.000 0.284 491 I C 0.757 176.908 176.117 0.057 0.000 1.153 491 I CA 0.632 61.963 61.300 0.052 0.000 1.426 491 I CB 0.163 38.184 38.000 0.035 0.000 1.381 491 I HN 0.290 nan 8.210 nan 0.000 0.571 492 T N 1.437 116.022 114.554 0.051 0.000 2.924 492 T HA 0.566 4.916 4.350 -0.000 0.000 0.291 492 T C -0.318 174.419 174.700 0.061 0.000 1.045 492 T CA -0.968 61.169 62.100 0.063 0.000 1.015 492 T CB 2.422 71.323 68.868 0.055 0.000 1.103 492 T HN 0.573 nan 8.240 nan 0.000 0.496 493 D N 0.829 121.283 120.400 0.090 0.000 2.440 493 D HA 0.429 5.069 4.640 -0.000 0.000 0.269 493 D C 1.565 177.909 176.300 0.072 0.000 1.249 493 D CA -0.400 53.660 54.000 0.101 0.000 1.055 493 D CB 0.009 40.909 40.800 0.167 0.000 1.104 493 D HN 0.657 nan 8.370 nan 0.000 0.561 494 A N -1.399 121.453 122.820 0.053 0.000 2.121 494 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 494 A C 1.063 178.487 177.584 -0.266 0.000 1.154 494 A CA 0.736 52.704 52.037 -0.115 0.000 0.679 494 A CB -0.886 18.009 19.000 -0.175 0.000 0.795 494 A HN 0.538 nan 8.150 nan 0.000 0.458 495 Y N -0.528 119.798 120.300 0.044 0.000 2.658 495 Y HA 0.220 4.770 4.550 -0.000 0.000 0.276 495 Y C 0.479 176.413 175.900 0.057 0.000 1.167 495 Y CA -0.336 57.795 58.100 0.051 0.000 1.230 495 Y CB -0.716 37.760 38.460 0.028 0.000 1.144 495 Y HN 0.483 nan 8.280 nan 0.000 0.529 496 N N -0.257 118.513 118.700 0.117 0.000 2.725 496 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 496 N C -0.571 174.989 175.510 0.084 0.000 1.103 496 N CA 0.261 53.359 53.050 0.079 0.000 0.707 496 N CB -0.515 38.002 38.487 0.050 0.000 1.043 496 N HN 0.187 nan 8.380 nan 0.000 0.553 497 M N -0.329 119.339 119.600 0.113 0.000 2.654 497 M HA 0.411 4.890 4.480 -0.000 0.000 0.310 497 M C -2.211 174.154 176.300 0.109 0.000 1.211 497 M CA -2.138 53.217 55.300 0.092 0.000 0.947 497 M CB 0.425 33.085 32.600 0.099 0.000 1.647 497 M HN -0.296 nan 8.290 nan 0.000 0.481 498 P HA -0.012 nan 4.420 nan 0.000 0.260 498 P C -0.618 176.838 177.300 0.260 0.000 1.185 498 P CA 0.123 63.325 63.100 0.170 0.000 0.763 498 P CB 0.177 31.981 31.700 0.173 0.000 0.776 499 Q N 7.257 127.154 119.800 0.161 0.000 2.271 499 Q HA 0.128 4.467 4.340 -0.000 0.000 0.273 499 Q C -2.192 173.759 176.000 -0.082 0.000 1.051 499 Q CA -1.800 54.042 55.803 0.065 0.000 0.901 499 Q CB -0.170 28.560 28.738 -0.013 0.000 1.174 499 Q HN 0.316 nan 8.270 nan 0.000 0.385 500 P HA 0.125 nan 4.420 nan 0.000 0.275 500 P C -1.042 175.773 177.300 -0.808 0.000 1.228 500 P CA -0.212 62.457 63.100 -0.718 0.000 0.786 500 P CB 1.138 32.548 31.700 -0.483 0.000 0.927 501 T N 2.639 116.482 114.554 -1.184 0.000 2.971 501 T HA 0.484 4.834 4.350 -0.000 0.000 0.304 501 T C -0.682 173.335 174.700 -1.137 0.000 1.038 501 T CA -0.097 61.318 62.100 -1.142 0.000 1.007 501 T CB 0.512 68.362 68.868 -1.696 0.000 1.055 501 T HN 0.077 nan 8.240 nan 0.000 0.451 502 F N 1.901 121.581 119.950 -0.451 0.000 2.425 502 F HA 0.572 5.099 4.527 -0.000 0.000 0.331 502 F C 0.589 176.345 175.800 -0.074 0.000 1.085 502 F CA -1.001 56.865 58.000 -0.223 0.000 1.028 502 F CB 1.182 40.094 39.000 -0.147 0.000 1.177 502 F HN 0.402 nan 8.300 nan 0.000 0.487 503 D N 2.923 123.486 120.400 0.272 0.000 2.375 503 D HA 0.220 4.860 4.640 -0.000 0.000 0.259 503 D C -1.815 174.604 176.300 0.198 0.000 1.235 503 D CA -0.100 54.039 54.000 0.232 0.000 0.924 503 D CB 0.278 41.240 40.800 0.271 0.000 1.143 503 D HN 0.272 nan 8.370 nan 0.000 0.529 504 F N 3.170 123.110 119.950 -0.017 0.000 2.569 504 F HA 0.615 5.142 4.527 -0.000 0.000 0.312 504 F C -1.213 174.473 175.800 -0.190 0.000 1.109 504 F CA -0.597 57.328 58.000 -0.124 0.000 0.919 504 F CB 1.399 40.271 39.000 -0.213 0.000 1.211 504 F HN 0.013 nan 8.300 nan 0.000 0.446 505 R N 4.314 124.344 120.500 -0.783 0.000 2.725 505 R HA 0.357 4.697 4.340 -0.000 0.000 0.277 505 R C -1.600 174.080 176.300 -1.034 0.000 0.987 505 R CA -0.964 54.765 56.100 -0.618 0.000 0.901 505 R CB 1.688 31.821 30.300 -0.279 0.000 1.207 505 R HN 0.586 nan 8.270 nan 0.000 0.463 506 F N 2.825 122.606 119.950 -0.281 0.000 2.602 506 F HA 0.140 4.667 4.527 -0.000 0.000 0.385 506 F C -1.296 174.388 175.800 -0.194 0.000 1.063 506 F CA -0.971 56.927 58.000 -0.171 0.000 1.233 506 F CB -0.261 38.739 39.000 -0.000 0.000 1.067 506 F HN 0.126 nan 8.300 nan 0.000 0.564 507 P HA 0.126 nan 4.420 nan 0.000 0.266 507 P C -0.539 176.773 177.300 0.019 0.000 1.195 507 P CA -0.095 62.983 63.100 -0.036 0.000 0.768 507 P CB 0.594 32.285 31.700 -0.015 0.000 0.838 508 A N 2.601 125.419 122.820 -0.003 0.000 2.327 508 A HA 0.618 4.937 4.320 -0.000 0.000 0.255 508 A C 1.079 178.677 177.584 0.022 0.000 1.099 508 A CA 0.720 52.762 52.037 0.008 0.000 0.801 508 A CB -0.770 18.227 19.000 -0.005 0.000 1.062 508 A HN 0.800 nan 8.150 nan 0.000 0.496 509 G N -0.060 108.756 108.800 0.026 0.000 2.578 509 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.232 509 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.232 509 G C 1.058 175.988 174.900 0.050 0.000 1.176 509 G CA 0.734 45.855 45.100 0.035 0.000 0.968 509 G HN 1.049 nan 8.290 nan 0.000 0.583 510 R N 0.121 120.658 120.500 0.062 0.000 2.092 510 R HA -0.032 4.308 4.340 -0.000 0.000 0.231 510 R C 2.708 179.065 176.300 0.095 0.000 1.119 510 R CA 2.528 58.675 56.100 0.078 0.000 0.970 510 R CB -0.843 29.507 30.300 0.083 0.000 0.864 510 R HN 0.594 nan 8.270 nan 0.000 0.440 511 T N 0.151 114.763 114.554 0.098 0.000 2.720 511 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 511 T C 1.883 176.634 174.700 0.085 0.000 1.037 511 T CA 1.850 64.022 62.100 0.120 0.000 1.144 511 T CB -0.126 68.833 68.868 0.152 0.000 0.864 511 T HN 0.273 nan 8.240 nan 0.000 0.444 512 S N 0.525 116.260 115.700 0.058 0.000 2.395 512 S HA 0.022 4.491 4.470 -0.000 0.000 0.225 512 S C 1.995 176.604 174.600 0.015 0.000 1.027 512 S CA 0.701 58.907 58.200 0.011 0.000 0.965 512 S CB -0.135 63.066 63.200 0.003 0.000 0.812 512 S HN 0.504 nan 8.310 nan 0.000 0.482 513 K N 1.565 121.991 120.400 0.044 0.000 2.026 513 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 513 K C 1.779 178.431 176.600 0.087 0.000 1.048 513 K CA 1.499 57.819 56.287 0.056 0.000 0.929 513 K CB -0.132 32.406 32.500 0.063 0.000 0.713 513 K HN 0.362 nan 8.250 nan 0.000 0.439 514 E N -0.101 120.179 120.200 0.134 0.000 2.150 514 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 514 E C 1.937 178.597 176.600 0.100 0.000 0.985 514 E CA 0.881 57.415 56.400 0.223 0.000 0.814 514 E CB -0.059 29.825 29.700 0.306 0.000 0.752 514 E HN 0.454 nan 8.360 nan 0.000 0.466 515 A N 1.347 124.204 122.820 0.062 0.000 1.930 515 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 515 A C 2.077 179.711 177.584 0.083 0.000 1.175 515 A CA 1.580 53.649 52.037 0.054 0.000 0.627 515 A CB -0.256 18.747 19.000 0.005 0.000 0.815 515 A HN 0.117 nan 8.150 nan 0.000 0.443 516 E N 0.598 120.833 120.200 0.059 0.000 2.107 516 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 516 E C 1.237 177.795 176.600 -0.070 0.000 0.982 516 E CA 1.469 57.904 56.400 0.058 0.000 0.809 516 E CB -0.291 29.425 29.700 0.027 0.000 0.756 516 E HN 0.481 nan 8.360 nan 0.000 0.459 517 D N -0.132 120.219 120.400 -0.082 0.000 2.178 517 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 517 D C 1.878 177.890 176.300 -0.481 0.000 0.980 517 D CA 1.018 54.949 54.000 -0.114 0.000 0.842 517 D CB -0.270 40.585 40.800 0.092 0.000 0.948 517 D HN 0.323 nan 8.370 nan 0.000 0.472 518 M N -0.271 118.832 119.600 -0.828 0.000 2.099 518 M HA -0.195 4.285 4.480 -0.000 0.000 0.262 518 M C 2.054 177.899 176.300 -0.758 0.000 1.067 518 M CA 1.212 55.698 55.300 -1.356 0.000 1.124 518 M CB 0.007 32.019 32.600 -0.980 0.000 1.353 518 M HN -0.044 nan 8.290 nan 0.000 0.410 519 M N 0.485 119.766 119.600 -0.533 0.000 2.080 519 M HA -0.168 4.312 4.480 -0.000 0.000 0.260 519 M C 1.800 177.866 176.300 -0.391 0.000 1.068 519 M CA 2.505 57.497 55.300 -0.514 0.000 1.109 519 M CB -1.021 31.333 32.600 -0.410 0.000 1.342 519 M HN 0.302 nan 8.290 nan 0.000 0.405 520 T N 0.027 114.422 114.554 -0.265 0.000 2.720 520 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 520 T C 1.533 176.143 174.700 -0.150 0.000 1.037 520 T CA 1.819 63.818 62.100 -0.168 0.000 1.144 520 T CB -0.707 68.111 68.868 -0.083 0.000 0.864 520 T HN 0.522 nan 8.240 nan 0.000 0.444 521 D N 0.564 120.872 120.400 -0.154 0.000 2.123 521 D HA -0.080 4.559 4.640 -0.000 0.000 0.196 521 D C 2.023 178.293 176.300 -0.049 0.000 0.992 521 D CA 0.912 54.942 54.000 0.049 0.000 0.833 521 D CB -0.257 40.715 40.800 0.286 0.000 0.954 521 D HN 0.325 nan 8.370 nan 0.000 0.455 522 M N -0.653 118.655 119.600 -0.487 0.000 2.175 522 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 522 M C 1.919 177.934 176.300 -0.475 0.000 1.063 522 M CA 1.142 55.909 55.300 -0.889 0.000 1.119 522 M CB -0.081 31.737 32.600 -1.304 0.000 1.377 522 M HN 0.161 nan 8.290 nan 0.000 0.415 523 C N -0.359 118.755 119.300 -0.310 0.000 2.429 523 C HA -0.095 4.364 4.460 -0.000 0.000 0.277 523 C C 2.665 177.560 174.990 -0.158 0.000 1.262 523 C CA 0.743 59.678 59.018 -0.137 0.000 1.733 523 C CB -0.908 26.797 27.740 -0.059 0.000 2.010 523 C HN 0.475 nan 8.230 nan 0.000 0.483 524 V N 0.338 120.189 119.914 -0.105 0.000 2.323 524 V HA -0.245 3.875 4.120 -0.000 0.000 0.244 524 V C 2.387 178.459 176.094 -0.036 0.000 1.041 524 V CA 2.078 64.347 62.300 -0.050 0.000 1.025 524 V CB -0.577 31.265 31.823 0.033 0.000 0.656 524 V HN 0.564 nan 8.190 nan 0.000 0.451 525 M N 0.579 120.200 119.600 0.036 0.000 2.132 525 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 525 M C 2.407 178.621 176.300 -0.143 0.000 1.065 525 M CA 2.237 57.631 55.300 0.157 0.000 1.122 525 M CB -0.176 32.694 32.600 0.450 0.000 1.365 525 M HN 0.550 nan 8.290 nan 0.000 0.411 526 S N 0.255 115.577 115.700 -0.630 0.000 2.423 526 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 526 S C 1.916 176.115 174.600 -0.668 0.000 1.014 526 S CA 0.866 58.264 58.200 -1.336 0.000 0.965 526 S CB -0.738 61.457 63.200 -1.674 0.000 0.785 526 S HN 0.550 nan 8.310 nan 0.000 0.495 527 A N 2.253 124.798 122.820 -0.458 0.000 2.067 527 A HA 0.025 4.344 4.320 -0.000 0.000 0.219 527 A C 2.141 179.596 177.584 -0.215 0.000 1.158 527 A CA 1.093 52.913 52.037 -0.362 0.000 0.661 527 A CB -0.502 18.313 19.000 -0.309 0.000 0.801 527 A HN 0.598 nan 8.150 nan 0.000 0.452 528 K N -0.606 119.710 120.400 -0.139 0.000 2.360 528 K HA -0.015 4.305 4.320 -0.000 0.000 0.201 528 K C 1.033 177.618 176.600 -0.026 0.000 1.046 528 K CA 0.825 57.072 56.287 -0.067 0.000 0.945 528 K CB -0.044 32.447 32.500 -0.015 0.000 0.750 528 K HN 0.428 nan 8.250 nan 0.000 0.464 529 I N -1.031 119.531 120.570 -0.015 0.000 3.718 529 I HA 0.153 4.323 4.170 -0.000 0.000 0.297 529 I C 1.034 177.154 176.117 0.005 0.000 1.220 529 I CA 0.500 61.841 61.300 0.068 0.000 1.381 529 I CB 0.565 38.732 38.000 0.279 0.000 1.238 529 I HN 0.121 nan 8.210 nan 0.000 0.448 530 G N -0.401 108.342 108.800 -0.096 0.000 2.313 530 G HA2 0.393 4.353 3.960 -0.000 0.000 0.296 530 G HA3 0.393 4.353 3.960 -0.000 0.000 0.296 530 G C -0.575 174.157 174.900 -0.279 0.000 1.356 530 G CA -0.208 44.810 45.100 -0.136 0.000 0.833 530 G HN 0.244 nan 8.290 nan 0.000 0.552 531 G N -1.019 107.625 108.800 -0.260 0.000 2.569 531 G HA2 0.519 4.478 3.960 -0.000 0.000 0.249 531 G HA3 0.519 4.478 3.960 -0.000 0.000 0.249 531 G C -0.164 174.542 174.900 -0.323 0.000 1.216 531 G CA -0.369 44.503 45.100 -0.381 0.000 0.845 531 G HN 0.487 nan 8.290 nan 0.000 0.568 532 F N -0.314 119.540 119.950 -0.160 0.000 2.563 532 F HA 0.155 4.682 4.527 -0.000 0.000 0.363 532 F C 0.781 176.520 175.800 -0.101 0.000 1.123 532 F CA -0.720 57.181 58.000 -0.166 0.000 1.307 532 F CB 0.638 39.532 39.000 -0.177 0.000 1.115 532 F HN 0.195 nan 8.300 nan 0.000 0.592 533 L N 6.400 127.685 121.223 0.103 0.000 2.418 533 L HA 0.335 4.675 4.340 -0.000 0.000 0.274 533 L C -2.321 174.580 176.870 0.051 0.000 1.135 533 L CA -1.810 53.065 54.840 0.058 0.000 0.870 533 L CB -0.104 41.986 42.059 0.051 0.000 1.154 533 L HN 0.302 nan 8.230 nan 0.000 0.462 534 P HA 0.159 nan 4.420 nan 0.000 0.260 534 P C 0.636 177.950 177.300 0.024 0.000 1.172 534 P CA 1.112 64.228 63.100 0.028 0.000 0.760 534 P CB 0.493 32.207 31.700 0.023 0.000 0.773 535 G N 2.200 111.007 108.800 0.012 0.000 2.194 535 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.236 535 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.236 535 G C 0.439 175.362 174.900 0.040 0.000 0.987 535 G CA 0.153 45.268 45.100 0.024 0.000 0.635 535 G HN 0.519 nan 8.290 nan 0.000 0.520 536 S N 0.816 116.523 115.700 0.011 0.000 2.665 536 S HA 0.502 4.972 4.470 -0.000 0.000 0.235 536 S C 0.474 174.980 174.600 -0.157 0.000 1.084 536 S CA -0.567 57.632 58.200 -0.002 0.000 1.151 536 S CB 0.314 63.525 63.200 0.018 0.000 1.151 536 S HN 0.482 nan 8.310 nan 0.000 0.461 537 L N 1.897 123.013 121.223 -0.177 0.000 2.472 537 L HA 0.331 4.671 4.340 -0.000 0.000 0.260 537 L C -2.267 174.317 176.870 -0.477 0.000 1.209 537 L CA -2.103 52.511 54.840 -0.376 0.000 0.817 537 L CB -0.241 41.643 42.059 -0.291 0.000 1.106 537 L HN 0.040 nan 8.230 nan 0.000 0.479 538 P HA 0.077 nan 4.420 nan 0.000 0.271 538 P C -1.414 175.647 177.300 -0.399 0.000 1.226 538 P CA -0.069 62.664 63.100 -0.611 0.000 0.765 538 P CB 0.555 31.810 31.700 -0.742 0.000 0.835 539 Q N 1.727 121.332 119.800 -0.325 0.000 2.391 539 Q HA 0.490 4.830 4.340 -0.000 0.000 0.279 539 Q C -1.310 174.530 176.000 -0.266 0.000 1.028 539 Q CA -0.855 54.826 55.803 -0.202 0.000 0.836 539 Q CB 0.897 29.582 28.738 -0.087 0.000 1.414 539 Q HN 0.108 nan 8.270 nan 0.000 0.397 540 F N 1.643 121.501 119.950 -0.153 0.000 2.443 540 F HA 0.286 4.813 4.527 -0.000 0.000 0.353 540 F C 0.603 176.314 175.800 -0.149 0.000 1.101 540 F CA -0.245 57.659 58.000 -0.160 0.000 1.226 540 F CB 0.840 39.744 39.000 -0.161 0.000 1.140 540 F HN 0.372 nan 8.300 nan 0.000 0.557 541 M N 1.416 120.999 119.600 -0.028 0.000 2.368 541 M HA 0.173 4.653 4.480 -0.000 0.000 0.311 541 M C 0.189 176.444 176.300 -0.075 0.000 1.168 541 M CA -0.644 54.567 55.300 -0.149 0.000 1.044 541 M CB 0.643 33.026 32.600 -0.360 0.000 1.506 541 M HN 0.561 nan 8.290 nan 0.000 0.475 542 E N 2.199 122.325 120.200 -0.123 0.000 2.529 542 E HA 0.006 4.356 4.350 -0.000 0.000 0.259 542 E C -2.167 174.397 176.600 -0.060 0.000 0.966 542 E CA -1.232 55.120 56.400 -0.080 0.000 0.937 542 E CB 0.340 29.973 29.700 -0.112 0.000 0.923 542 E HN 0.183 nan 8.360 nan 0.000 0.468 543 P HA 0.017 nan 4.420 nan 0.000 0.262 543 P C 0.211 177.413 177.300 -0.163 0.000 1.199 543 P CA 1.026 64.124 63.100 -0.004 0.000 0.763 543 P CB 0.648 32.343 31.700 -0.010 0.000 0.790 544 G N 2.785 111.489 108.800 -0.159 0.000 2.195 544 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.246 544 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.246 544 G C 0.763 175.601 174.900 -0.104 0.000 0.984 544 G CA 0.082 45.057 45.100 -0.208 0.000 0.633 544 G HN 0.510 nan 8.290 nan 0.000 0.525 545 L N 0.980 122.145 121.223 -0.097 0.000 2.187 545 L HA 0.166 4.506 4.340 -0.000 0.000 0.213 545 L C 2.750 179.612 176.870 -0.013 0.000 1.100 545 L CA 2.442 57.236 54.840 -0.077 0.000 0.765 545 L CB -0.403 41.546 42.059 -0.184 0.000 0.904 545 L HN 0.476 nan 8.230 nan 0.000 0.437 546 V N -0.374 119.516 119.914 -0.040 0.000 3.141 546 V HA -0.064 4.056 4.120 -0.000 0.000 0.265 546 V C 1.461 177.501 176.094 -0.090 0.000 1.126 546 V CA 0.564 62.835 62.300 -0.048 0.000 1.141 546 V CB -0.350 31.437 31.823 -0.061 0.000 0.743 546 V HN 0.465 nan 8.190 nan 0.000 0.492 547 L N 0.551 121.794 121.223 0.033 0.000 3.597 547 L HA -0.247 4.092 4.340 -0.000 0.000 0.440 547 L C 0.228 177.300 176.870 0.336 0.000 1.277 547 L CA 0.847 55.781 54.840 0.157 0.000 0.852 547 L CB -2.361 39.834 42.059 0.227 0.000 1.708 547 L HN 0.571 nan 8.230 nan 0.000 0.885 548 H N -0.761 118.435 119.070 0.210 0.000 2.562 548 H HA 0.280 4.835 4.556 -0.000 0.000 0.249 548 H C 0.374 175.846 175.328 0.240 0.000 1.195 548 H CA -1.095 55.113 56.048 0.266 0.000 0.938 548 H CB 0.772 30.726 29.762 0.320 0.000 1.891 548 H HN 0.185 nan 8.280 nan 0.000 0.595 549 L N 1.953 123.335 121.223 0.265 0.000 2.499 549 L HA 0.229 4.569 4.340 -0.000 0.000 0.273 549 L C 0.607 177.626 176.870 0.248 0.000 1.195 549 L CA 0.750 55.696 54.840 0.176 0.000 0.882 549 L CB 0.372 42.500 42.059 0.114 0.000 1.133 549 L HN 0.327 nan 8.230 nan 0.000 0.483 550 G N 1.797 110.755 108.800 0.264 0.000 2.730 550 G HA2 0.547 4.506 3.960 -0.000 0.000 0.289 550 G HA3 0.547 4.506 3.960 -0.000 0.000 0.289 550 G C 0.302 175.316 174.900 0.191 0.000 1.341 550 G CA -0.299 44.974 45.100 0.288 0.000 0.932 550 G HN 1.319 nan 8.290 nan 0.000 0.481 551 G N -1.379 107.493 108.800 0.121 0.000 2.179 551 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 551 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 551 G C 1.374 176.335 174.900 0.101 0.000 0.977 551 G CA 1.514 46.692 45.100 0.129 0.000 0.641 551 G HN 1.835 nan 8.290 nan 0.000 0.533 552 T N -1.714 112.846 114.554 0.009 0.000 2.951 552 T HA 0.113 4.463 4.350 -0.000 0.000 0.268 552 T C 1.066 175.840 174.700 0.123 0.000 1.073 552 T CA 1.870 64.017 62.100 0.077 0.000 1.134 552 T CB -0.289 68.632 68.868 0.089 0.000 0.884 552 T HN 1.424 nan 8.240 nan 0.000 0.479 553 H N 0.234 119.376 119.070 0.120 0.000 2.439 553 H HA 0.508 5.064 4.556 -0.000 0.000 0.228 553 H C -0.125 175.239 175.328 0.060 0.000 1.423 553 H CA -1.343 54.750 56.048 0.074 0.000 1.386 553 H CB -0.170 29.602 29.762 0.016 0.000 1.641 553 H HN 0.360 nan 8.280 nan 0.000 0.508 554 R N 1.402 121.981 120.500 0.131 0.000 2.539 554 R HA 0.299 4.639 4.340 -0.000 0.000 0.275 554 R C -0.361 175.989 176.300 0.084 0.000 1.077 554 R CA -0.721 55.429 56.100 0.084 0.000 1.097 554 R CB 1.030 31.369 30.300 0.065 0.000 1.018 554 R HN 0.524 nan 8.270 nan 0.000 0.483 555 M N 1.835 121.462 119.600 0.046 0.000 2.274 555 M HA 0.432 4.912 4.480 -0.000 0.000 0.344 555 M C -0.467 175.821 176.300 -0.019 0.000 1.161 555 M CA 0.362 55.662 55.300 0.000 0.000 1.126 555 M CB 1.429 34.006 32.600 -0.038 0.000 1.522 555 M HN 0.968 nan 8.290 nan 0.000 0.461 556 G N 2.064 110.854 108.800 -0.016 0.000 2.548 556 G HA2 0.385 4.345 3.960 -0.000 0.000 0.301 556 G HA3 0.385 4.345 3.960 -0.000 0.000 0.301 556 G C -0.912 173.956 174.900 -0.054 0.000 1.349 556 G CA -0.693 44.345 45.100 -0.104 0.000 0.792 556 G HN 0.664 nan 8.290 nan 0.000 0.481 557 F N 0.060 120.100 119.950 0.151 0.000 2.187 557 F HA 0.243 4.770 4.527 -0.000 0.000 0.295 557 F C 1.178 177.089 175.800 0.185 0.000 1.091 557 F CA 1.241 59.333 58.000 0.155 0.000 1.308 557 F CB 0.305 39.358 39.000 0.088 0.000 1.030 557 F HN 0.375 nan 8.300 nan 0.000 0.487 558 D N -0.812 119.734 120.400 0.243 0.000 2.492 558 D HA 0.131 4.771 4.640 -0.000 0.000 0.248 558 D C 0.806 176.977 176.300 -0.216 0.000 1.101 558 D CA -0.210 53.791 54.000 0.000 0.000 0.840 558 D CB 1.289 42.108 40.800 0.032 0.000 1.209 558 D HN 0.123 nan 8.370 nan 0.000 0.524 559 E N 3.410 123.181 120.200 -0.715 0.000 2.049 559 E HA -0.308 4.042 4.350 -0.000 0.000 0.198 559 E C 1.401 177.839 176.600 -0.270 0.000 1.007 559 E CA 1.432 57.352 56.400 -0.800 0.000 0.809 559 E CB 0.227 29.310 29.700 -1.029 0.000 0.749 559 E HN 0.486 nan 8.360 nan 0.000 0.450 560 K N 0.095 120.372 120.400 -0.204 0.000 2.021 560 K HA -0.125 4.194 4.320 -0.000 0.000 0.205 560 K C 2.050 178.620 176.600 -0.050 0.000 1.047 560 K CA 1.406 57.639 56.287 -0.091 0.000 0.943 560 K CB -0.016 32.444 32.500 -0.065 0.000 0.725 560 K HN 0.102 nan 8.250 nan 0.000 0.439 561 E N 0.399 120.575 120.200 -0.040 0.000 2.150 561 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 561 E C 0.895 177.496 176.600 0.003 0.000 0.985 561 E CA 0.930 57.328 56.400 -0.002 0.000 0.814 561 E CB 0.096 29.806 29.700 0.017 0.000 0.752 561 E HN 0.412 nan 8.360 nan 0.000 0.466 562 D N 0.406 120.801 120.400 -0.008 0.000 2.349 562 D HA 0.023 4.663 4.640 -0.000 0.000 0.214 562 D C -0.506 175.737 176.300 -0.096 0.000 1.063 562 D CA 0.018 54.010 54.000 -0.013 0.000 0.847 562 D CB -0.088 40.737 40.800 0.042 0.000 0.933 562 D HN 0.096 nan 8.370 nan 0.000 0.513 563 N N 0.578 119.218 118.700 -0.100 0.000 2.669 563 N HA -0.199 4.541 4.740 -0.000 0.000 0.266 563 N C -0.209 175.212 175.510 -0.149 0.000 1.024 563 N CA 0.529 53.490 53.050 -0.148 0.000 0.766 563 N CB -1.417 36.864 38.487 -0.343 0.000 0.898 563 N HN 0.395 nan 8.380 nan 0.000 0.548 564 C N -3.272 116.028 119.300 0.001 0.000 3.213 564 C HA 0.771 5.230 4.460 -0.000 0.000 0.319 564 C C 1.349 176.516 174.990 0.294 0.000 1.386 564 C CA -0.690 58.398 59.018 0.117 0.000 1.494 564 C CB 1.573 29.399 27.740 0.143 0.000 1.905 564 C HN 0.498 nan 8.230 nan 0.000 0.456 565 C N 0.293 119.776 119.300 0.305 0.000 2.937 565 C HA 0.491 4.951 4.460 -0.000 0.000 0.426 565 C C 0.630 175.672 174.990 0.087 0.000 1.321 565 C CA 0.596 59.773 59.018 0.265 0.000 2.082 565 C CB -0.321 27.515 27.740 0.160 0.000 2.834 565 C HN 0.947 nan 8.230 nan 0.000 0.593 566 V N 1.078 120.941 119.914 -0.085 0.000 2.962 566 V HA 0.667 4.787 4.120 -0.000 0.000 0.313 566 V C -0.726 175.013 176.094 -0.591 0.000 1.099 566 V CA -0.715 61.311 62.300 -0.457 0.000 0.971 566 V CB 1.472 33.159 31.823 -0.226 0.000 1.028 566 V HN 0.385 nan 8.190 nan 0.000 0.430 567 N N 0.997 119.201 118.700 -0.826 0.000 2.366 567 N HA 0.210 4.950 4.740 -0.000 0.000 0.277 567 N C 1.076 176.444 175.510 -0.237 0.000 1.275 567 N CA 0.314 53.097 53.050 -0.445 0.000 0.964 567 N CB 0.008 38.263 38.487 -0.387 0.000 1.167 567 N HN 0.948 nan 8.380 nan 0.000 0.568 568 T N -4.570 109.885 114.554 -0.166 0.000 3.113 568 T HA -0.004 4.346 4.350 -0.000 0.000 0.263 568 T C 0.192 174.815 174.700 -0.127 0.000 1.143 568 T CA 0.685 62.693 62.100 -0.153 0.000 1.090 568 T CB -0.338 68.459 68.868 -0.118 0.000 0.922 568 T HN 0.440 nan 8.240 nan 0.000 0.521 569 D N 1.038 121.353 120.400 -0.143 0.000 2.328 569 D HA 0.190 4.830 4.640 -0.000 0.000 0.221 569 D C 0.671 176.980 176.300 0.014 0.000 1.072 569 D CA 0.097 54.030 54.000 -0.112 0.000 0.850 569 D CB 0.029 40.629 40.800 -0.333 0.000 0.922 569 D HN 0.301 nan 8.370 nan 0.000 0.516 570 S N 0.162 115.837 115.700 -0.042 0.000 3.445 570 S HA -0.266 4.204 4.470 -0.000 0.000 0.319 570 S C 0.573 175.155 174.600 -0.029 0.000 1.209 570 S CA 0.520 58.729 58.200 0.015 0.000 0.934 570 S CB -1.198 62.086 63.200 0.139 0.000 0.999 570 S HN 0.455 nan 8.310 nan 0.000 0.582 571 R N 1.177 121.534 120.500 -0.237 0.000 2.297 571 R HA 0.448 4.787 4.340 -0.000 0.000 0.308 571 R C -0.029 175.957 176.300 -0.523 0.000 1.029 571 R CA -0.419 55.337 56.100 -0.574 0.000 0.929 571 R CB 0.694 30.649 30.300 -0.575 0.000 1.046 571 R HN 0.130 nan 8.270 nan 0.000 0.461 572 V N 6.236 125.869 119.914 -0.468 0.000 2.540 572 V HA -0.051 4.069 4.120 -0.000 0.000 0.297 572 V C 0.234 176.252 176.094 -0.128 0.000 1.024 572 V CA 0.339 62.447 62.300 -0.319 0.000 1.105 572 V CB -0.277 31.329 31.823 -0.361 0.000 0.938 572 V HN 0.562 nan 8.190 nan 0.000 0.482 573 F N 4.300 124.282 119.950 0.053 0.000 2.604 573 F HA 0.361 4.888 4.527 -0.000 0.000 0.393 573 F C 1.542 177.477 175.800 0.226 0.000 1.043 573 F CA 1.541 59.605 58.000 0.105 0.000 1.227 573 F CB -0.297 38.758 39.000 0.091 0.000 1.016 573 F HN 0.806 nan 8.300 nan 0.000 0.556 574 G N 2.341 111.332 108.800 0.319 0.000 2.284 574 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.230 574 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.230 574 G C -0.118 174.749 174.900 -0.054 0.000 1.021 574 G CA -0.508 44.680 45.100 0.147 0.000 0.619 574 G HN 0.421 nan 8.290 nan 0.000 0.510 575 F N 1.673 121.651 119.950 0.047 0.000 2.426 575 F HA 0.593 5.120 4.527 -0.000 0.000 0.348 575 F C 1.371 177.168 175.800 -0.005 0.000 1.124 575 F CA -0.721 57.297 58.000 0.029 0.000 1.008 575 F CB 1.815 40.828 39.000 0.020 0.000 1.139 575 F HN -0.072 nan 8.300 nan 0.000 0.452 576 K N 1.388 121.886 120.400 0.163 0.000 2.147 576 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 576 K C 0.776 177.584 176.600 0.347 0.000 1.049 576 K CA 1.413 57.839 56.287 0.232 0.000 0.936 576 K CB -0.010 32.630 32.500 0.235 0.000 0.722 576 K HN 0.579 nan 8.250 nan 0.000 0.446 577 N N 0.030 118.896 118.700 0.275 0.000 2.377 577 N HA 0.059 4.799 4.740 -0.000 0.000 0.259 577 N C -0.924 174.685 175.510 0.165 0.000 1.332 577 N CA -0.335 52.908 53.050 0.322 0.000 0.877 577 N CB 0.177 38.886 38.487 0.370 0.000 1.299 577 N HN -0.037 nan 8.380 nan 0.000 0.501 578 L N 0.209 121.313 121.223 -0.198 0.000 2.410 578 L HA 0.750 5.090 4.340 -0.000 0.000 0.270 578 L C -1.952 174.494 176.870 -0.707 0.000 0.983 578 L CA -0.580 54.103 54.840 -0.261 0.000 0.822 578 L CB 1.354 43.281 42.059 -0.220 0.000 1.285 578 L HN -0.026 nan 8.230 nan 0.000 0.409 579 F N 4.812 124.677 119.950 -0.141 0.000 2.578 579 F HA 0.652 5.179 4.527 -0.000 0.000 0.311 579 F C -0.715 174.935 175.800 -0.249 0.000 1.094 579 F CA -0.611 57.289 58.000 -0.167 0.000 0.923 579 F CB 1.940 40.864 39.000 -0.126 0.000 1.230 579 F HN 0.221 nan 8.300 nan 0.000 0.450 580 L N 2.055 123.225 121.223 -0.089 0.000 2.334 580 L HA 0.933 5.273 4.340 -0.000 0.000 0.276 580 L C 0.064 176.934 176.870 -0.001 0.000 1.014 580 L CA -0.840 53.884 54.840 -0.194 0.000 0.815 580 L CB 2.001 43.800 42.059 -0.433 0.000 1.268 580 L HN 0.790 nan 8.230 nan 0.000 0.428 581 G N 0.216 109.034 108.800 0.029 0.000 2.620 581 G HA2 0.776 4.736 3.960 -0.000 0.000 0.301 581 G HA3 0.776 4.736 3.960 -0.000 0.000 0.301 581 G C -0.684 174.335 174.900 0.198 0.000 1.347 581 G CA -0.258 44.962 45.100 0.198 0.000 0.971 581 G HN 0.958 nan 8.290 nan 0.000 0.488 582 G N -1.164 107.749 108.800 0.189 0.000 2.361 582 G HA2 0.165 4.125 3.960 -0.000 0.000 0.331 582 G HA3 0.165 4.125 3.960 -0.000 0.000 0.331 582 G C 0.743 175.704 174.900 0.103 0.000 1.324 582 G CA 0.131 45.322 45.100 0.151 0.000 0.984 582 G HN 1.165 nan 8.290 nan 0.000 0.586 583 C N 0.488 119.826 119.300 0.063 0.000 2.419 583 C HA 0.176 4.636 4.460 -0.000 0.000 0.281 583 C C 3.095 178.076 174.990 -0.015 0.000 1.336 583 C CA 1.809 60.845 59.018 0.029 0.000 1.770 583 C CB -1.339 26.455 27.740 0.091 0.000 1.929 583 C HN 1.288 nan 8.230 nan 0.000 0.509 584 G N 1.328 110.045 108.800 -0.138 0.000 2.485 584 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.221 584 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.221 584 G C 1.406 175.978 174.900 -0.547 0.000 1.115 584 G CA 0.960 45.719 45.100 -0.567 0.000 0.751 584 G HN 0.572 nan 8.290 nan 0.000 0.567 585 N N 0.262 118.870 118.700 -0.154 0.000 2.396 585 N HA 0.033 4.773 4.740 -0.000 0.000 0.180 585 N C 0.917 176.443 175.510 0.026 0.000 1.028 585 N CA 0.149 53.227 53.050 0.047 0.000 0.893 585 N CB 0.064 38.623 38.487 0.119 0.000 0.967 585 N HN 0.315 nan 8.380 nan 0.000 0.440 586 I N 2.867 123.447 120.570 0.016 0.000 2.533 586 I HA 0.044 4.214 4.170 -0.000 0.000 0.284 586 I C -1.379 174.812 176.117 0.123 0.000 1.109 586 I CA -0.981 60.342 61.300 0.038 0.000 1.412 586 I CB 1.293 39.243 38.000 -0.083 0.000 1.396 586 I HN -0.067 nan 8.210 nan 0.000 0.543 587 P HA 0.085 nan 4.420 nan 0.000 0.275 587 P C 0.104 177.499 177.300 0.158 0.000 1.310 587 P CA 0.142 63.313 63.100 0.117 0.000 0.904 587 P CB 0.354 32.083 31.700 0.049 0.000 1.381 588 T N -2.334 112.348 114.554 0.214 0.000 2.936 588 T HA 0.698 5.047 4.350 -0.000 0.000 0.282 588 T C 0.175 175.041 174.700 0.278 0.000 1.003 588 T CA -0.881 61.340 62.100 0.203 0.000 1.005 588 T CB 1.359 70.317 68.868 0.150 0.000 1.097 588 T HN 0.054 nan 8.240 nan 0.000 0.532 589 A N 1.938 124.852 122.820 0.157 0.000 2.350 589 A HA 0.584 4.903 4.320 -0.000 0.000 0.293 589 A C -0.517 177.080 177.584 0.021 0.000 1.231 589 A CA -0.771 51.311 52.037 0.076 0.000 0.883 589 A CB -1.036 18.015 19.000 0.084 0.000 1.133 589 A HN 0.839 nan 8.150 nan 0.000 0.533 590 Y N -0.395 119.833 120.300 -0.120 0.000 2.562 590 Y HA 0.755 5.304 4.550 -0.000 0.000 0.343 590 Y C 0.808 176.591 175.900 -0.195 0.000 1.025 590 Y CA -0.806 57.042 58.100 -0.421 0.000 1.082 590 Y CB 1.377 39.404 38.460 -0.722 0.000 1.264 590 Y HN 0.363 nan 8.280 nan 0.000 0.478 591 G N -0.014 108.700 108.800 -0.144 0.000 2.747 591 G HA2 0.414 4.373 3.960 -0.000 0.000 0.202 591 G HA3 0.414 4.373 3.960 -0.000 0.000 0.202 591 G C 0.334 175.292 174.900 0.098 0.000 1.090 591 G CA 0.182 45.379 45.100 0.162 0.000 0.779 591 G HN 0.939 nan 8.290 nan 0.000 0.535 592 A N 0.733 123.428 122.820 -0.209 0.000 2.313 592 A HA 0.518 4.838 4.320 -0.000 0.000 0.261 592 A C -0.211 177.266 177.584 -0.178 0.000 1.090 592 A CA -0.493 51.309 52.037 -0.391 0.000 0.807 592 A CB 0.114 18.893 19.000 -0.367 0.000 1.055 592 A HN 0.323 nan 8.150 nan 0.000 0.492 593 N N 2.045 120.532 118.700 -0.355 0.000 2.475 593 N HA 0.271 5.011 4.740 -0.000 0.000 0.267 593 N C -1.999 173.466 175.510 -0.075 0.000 1.169 593 N CA -1.115 51.735 53.050 -0.333 0.000 0.947 593 N CB 0.600 38.957 38.487 -0.216 0.000 1.061 593 N HN 0.411 nan 8.380 nan 0.000 0.466 594 P HA -0.024 nan 4.420 nan 0.000 0.235 594 P C 0.572 177.805 177.300 -0.111 0.000 1.177 594 P CA 0.703 63.761 63.100 -0.070 0.000 0.785 594 P CB 0.295 31.932 31.700 -0.105 0.000 0.885 595 T N 1.326 115.884 114.554 0.007 0.000 2.665 595 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 595 T C 1.817 176.598 174.700 0.135 0.000 1.035 595 T CA 1.311 63.461 62.100 0.083 0.000 1.151 595 T CB -0.960 67.997 68.868 0.149 0.000 0.862 595 T HN 0.030 nan 8.240 nan 0.000 0.438 596 L N 0.905 122.235 121.223 0.178 0.000 2.042 596 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 596 L C 2.562 179.504 176.870 0.119 0.000 1.076 596 L CA 1.774 56.759 54.840 0.242 0.000 0.749 596 L CB -1.017 41.183 42.059 0.235 0.000 0.893 596 L HN 0.231 nan 8.230 nan 0.000 0.432 597 T N -0.365 114.138 114.554 -0.085 0.000 2.708 597 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 597 T C 1.908 176.528 174.700 -0.133 0.000 1.037 597 T CA 1.340 63.298 62.100 -0.236 0.000 1.146 597 T CB -0.579 67.732 68.868 -0.928 0.000 0.865 597 T HN 0.530 nan 8.240 nan 0.000 0.435 598 A N 1.441 124.186 122.820 -0.124 0.000 1.933 598 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 598 A C 2.318 179.870 177.584 -0.053 0.000 1.175 598 A CA 1.859 53.861 52.037 -0.058 0.000 0.628 598 A CB -0.755 18.232 19.000 -0.021 0.000 0.814 598 A HN 0.532 nan 8.150 nan 0.000 0.444 599 M N -0.161 119.415 119.600 -0.040 0.000 2.117 599 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 599 M C 2.129 178.336 176.300 -0.156 0.000 1.065 599 M CA 2.174 57.419 55.300 -0.093 0.000 1.114 599 M CB -0.168 32.374 32.600 -0.097 0.000 1.361 599 M HN 0.381 nan 8.290 nan 0.000 0.408 600 S N 1.151 116.762 115.700 -0.147 0.000 2.370 600 S HA -0.141 4.329 4.470 -0.000 0.000 0.226 600 S C 1.749 176.152 174.600 -0.329 0.000 1.033 600 S CA 1.493 59.535 58.200 -0.263 0.000 1.011 600 S CB -0.616 62.385 63.200 -0.331 0.000 0.852 600 S HN 0.519 nan 8.310 nan 0.000 0.457 601 L N 1.146 122.220 121.223 -0.249 0.000 2.042 601 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 601 L C 2.799 179.535 176.870 -0.225 0.000 1.076 601 L CA 1.276 55.977 54.840 -0.232 0.000 0.749 601 L CB -0.726 41.268 42.059 -0.107 0.000 0.893 601 L HN 0.338 nan 8.230 nan 0.000 0.432 602 A N 0.316 122.993 122.820 -0.240 0.000 1.930 602 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 602 A C 2.211 179.459 177.584 -0.560 0.000 1.175 602 A CA 1.324 53.097 52.037 -0.440 0.000 0.627 602 A CB -0.624 18.112 19.000 -0.440 0.000 0.815 602 A HN 0.345 nan 8.150 nan 0.000 0.443 603 I N -0.334 120.006 120.570 -0.383 0.000 2.151 603 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 603 I C 2.542 178.495 176.117 -0.273 0.000 1.080 603 I CA 2.090 63.204 61.300 -0.310 0.000 1.339 603 I CB -0.300 37.533 38.000 -0.278 0.000 1.039 603 I HN 0.341 nan 8.210 nan 0.000 0.409 604 K N 0.452 120.687 120.400 -0.275 0.000 2.097 604 K HA -0.210 4.109 4.320 -0.000 0.000 0.206 604 K C 2.388 178.905 176.600 -0.139 0.000 1.049 604 K CA 1.691 57.848 56.287 -0.216 0.000 0.933 604 K CB -0.109 32.230 32.500 -0.269 0.000 0.717 604 K HN 0.176 nan 8.250 nan 0.000 0.442 605 S N -0.001 115.603 115.700 -0.160 0.000 2.368 605 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 605 S C 2.017 176.539 174.600 -0.130 0.000 1.030 605 S CA 1.476 59.632 58.200 -0.075 0.000 0.999 605 S CB -0.422 62.778 63.200 -0.000 0.000 0.844 605 S HN 0.553 nan 8.310 nan 0.000 0.459 606 C N 1.663 120.809 119.300 -0.257 0.000 2.432 606 C HA 0.043 4.503 4.460 -0.000 0.000 0.280 606 C C 2.440 177.365 174.990 -0.108 0.000 1.353 606 C CA 0.540 59.424 59.018 -0.224 0.000 1.766 606 C CB -1.458 26.102 27.740 -0.299 0.000 1.924 606 C HN 0.682 nan 8.230 nan 0.000 0.509 607 E N -0.395 119.760 120.200 -0.075 0.000 2.077 607 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 607 E C 1.807 178.427 176.600 0.034 0.000 0.989 607 E CA 1.446 57.832 56.400 -0.023 0.000 0.800 607 E CB -0.338 29.341 29.700 -0.036 0.000 0.746 607 E HN 0.841 nan 8.360 nan 0.000 0.452 608 Y N 1.055 121.333 120.300 -0.037 0.000 2.293 608 Y HA -0.135 4.415 4.550 -0.000 0.000 0.291 608 Y C 1.888 177.826 175.900 0.063 0.000 1.137 608 Y CA 1.102 59.220 58.100 0.030 0.000 1.202 608 Y CB 0.098 38.610 38.460 0.087 0.000 0.990 608 Y HN -0.053 nan 8.280 nan 0.000 0.537 609 I N 0.021 120.623 120.570 0.053 0.000 2.333 609 I HA -0.253 3.917 4.170 -0.000 0.000 0.246 609 I C 2.115 178.311 176.117 0.131 0.000 1.106 609 I CA 1.216 62.553 61.300 0.061 0.000 1.411 609 I CB -0.285 37.550 38.000 -0.276 0.000 1.082 609 I HN 0.067 nan 8.210 nan 0.000 0.420 610 K N 0.560 121.009 120.400 0.082 0.000 2.152 610 K HA -0.233 4.087 4.320 -0.000 0.000 0.206 610 K C 1.990 178.626 176.600 0.060 0.000 1.048 610 K CA 1.332 57.719 56.287 0.167 0.000 0.933 610 K CB -0.181 32.385 32.500 0.110 0.000 0.721 610 K HN 0.421 nan 8.250 nan 0.000 0.447 611 Q N -0.097 119.669 119.800 -0.057 0.000 2.378 611 Q HA 0.033 4.373 4.340 -0.000 0.000 0.205 611 Q C 1.007 176.868 176.000 -0.232 0.000 0.954 611 Q CA 0.656 56.376 55.803 -0.138 0.000 0.901 611 Q CB 0.343 28.974 28.738 -0.177 0.000 0.981 611 Q HN 0.308 nan 8.270 nan 0.000 0.483 612 N N -1.165 117.353 118.700 -0.304 0.000 2.145 612 N HA 0.144 4.884 4.740 -0.000 0.000 0.219 612 N C -0.972 174.088 175.510 -0.752 0.000 1.266 612 N CA 0.215 52.944 53.050 -0.536 0.000 0.902 612 N CB 1.063 39.073 38.487 -0.796 0.000 1.078 612 N HN 0.005 nan 8.380 nan 0.000 0.513 613 F N 0.755 120.735 119.950 0.049 0.000 2.556 613 F HA 0.352 4.878 4.527 -0.000 0.000 0.314 613 F C 0.149 176.052 175.800 0.171 0.000 1.106 613 F CA -0.695 57.391 58.000 0.143 0.000 0.911 613 F CB 1.765 40.887 39.000 0.203 0.000 1.190 613 F HN -0.360 nan 8.300 nan 0.000 0.448 614 T N 4.100 118.789 114.554 0.224 0.000 2.799 614 T HA 0.417 4.766 4.350 -0.000 0.000 0.286 614 T C -2.549 172.124 174.700 -0.046 0.000 0.973 614 T CA -1.420 60.704 62.100 0.039 0.000 1.035 614 T CB 1.072 69.943 68.868 0.005 0.000 0.932 614 T HN 0.172 nan 8.240 nan 0.000 0.469 615 P HA 0.189 nan 4.420 nan 0.000 0.275 615 P C -0.010 177.220 177.300 -0.117 0.000 1.228 615 P CA -0.554 62.308 63.100 -0.397 0.000 0.786 615 P CB 0.399 31.643 31.700 -0.760 0.000 0.927 616 S N 2.678 118.362 115.700 -0.026 0.000 2.568 616 S HA 0.253 4.723 4.470 -0.000 0.000 0.282 616 S C -2.132 172.469 174.600 0.003 0.000 1.338 616 S CA -0.847 57.353 58.200 -0.000 0.000 1.045 616 S CB -1.080 62.127 63.200 0.011 0.000 0.873 616 S HN 0.308 nan 8.310 nan 0.000 0.516 617 P HA 0.279 nan 4.420 nan 0.000 0.271 617 P C -0.544 176.803 177.300 0.079 0.000 1.218 617 P CA -0.504 62.623 63.100 0.045 0.000 0.780 617 P CB 0.240 31.959 31.700 0.032 0.000 0.901 618 F N 0.000 119.937 119.950 -0.022 0.000 2.286 618 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 618 F CA 0.000 57.992 58.000 -0.013 0.000 1.383 618 F CB 0.000 38.994 39.000 -0.010 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574