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 3gyr_1_I DATA FIRST_RESID 37 DATA SEQUENCE APGELTPFAA PLTVPPVLRP ASDEVTRETE IALRPTWVRL HPQLPPTLMW DATA SEQUENCE GYDGQVPGPT IEVRRGQRVR IAWTNRIPKG SEYPVTSVEV PLGPPGTPAP DATA SEQUENCE NTEPGRGGVE PNKDVAALPA WSVTHLHGAQ TGGGNDGWAD NAVGFGDAQL DATA SEQUENCE SEYPNDHQAT QWWYHDHAMN ITRWNVMAGL YGTYLVRDDE EDALGLPSGD DATA SEQUENCE REIPLLIADR NLDTDEDGRL NGRLLHKTVI VQQSNPETGK PVSIPFFGPY DATA SEQUENCE TTVNGRIWPY ADVDDGWYRL RLVNASNARI YNLVLIDEDD RPVPGVVHQI DATA SEQUENCE GSDGGLLPRP VPVDFDDTLP VLSAAPAERF DLLVDFRALG GRRLRLVDKG DATA SEQUENCE PGAPAGTPDP LGGVRYPEVM EFRVRETCEE DSFALPEVLS GSFRRMSHDI DATA SEQUENCE PHGHRLIVLT PPGTKGSGGH PEIWEMAEVE XXXXXQVPAE GVIQVTGADG DATA SEQUENCE RTKTYRRTAR TFNDGLGFTI GEGTHEQWTF LNLSPILHPM HIHLADFQVL DATA SEQUENCE GRDAYDASGF DLALGGTRTP VRLDPDTPVP LAPNELGHKD VFQVPGPQGL DATA SEQUENCE RVMGKFDGAY GRFMYHCHLL EHEDMGMMRP FVVMPPEALK FD 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.604 177.584 0.033 0.000 1.274 37 A CA 0.000 52.057 52.037 0.033 0.000 0.836 37 A CB 0.000 19.030 19.000 0.049 0.000 0.831 38 P HA 0.413 nan 4.420 nan 0.000 0.266 38 P C 0.825 178.148 177.300 0.037 0.000 1.215 38 P CA 1.538 64.655 63.100 0.029 0.000 0.763 38 P CB 0.465 32.179 31.700 0.024 0.000 0.806 39 G N 1.977 110.795 108.800 0.030 0.000 2.160 39 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 39 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 39 G C -0.131 174.795 174.900 0.043 0.000 1.022 39 G CA -0.227 44.892 45.100 0.030 0.000 0.741 39 G HN 0.634 nan 8.290 nan 0.000 0.508 40 E N -0.687 119.537 120.200 0.039 0.000 2.207 40 E HA 0.604 4.954 4.350 -0.000 0.000 0.270 40 E C 0.614 177.196 176.600 -0.030 0.000 0.927 40 E CA -0.932 55.494 56.400 0.044 0.000 0.799 40 E CB 1.417 31.166 29.700 0.080 0.000 1.172 40 E HN 0.278 nan 8.360 nan 0.000 0.404 41 L N 1.424 122.594 121.223 -0.089 0.000 2.417 41 L HA 0.214 4.554 4.340 -0.000 0.000 0.268 41 L C 0.397 177.233 176.870 -0.056 0.000 1.158 41 L CA -0.233 54.463 54.840 -0.239 0.000 0.819 41 L CB 0.524 42.174 42.059 -0.682 0.000 1.112 41 L HN 0.436 nan 8.230 nan 0.000 0.458 42 T N 3.497 118.060 114.554 0.015 0.000 2.749 42 T HA 0.259 4.609 4.350 -0.000 0.000 0.295 42 T C -2.264 172.536 174.700 0.166 0.000 0.936 42 T CA -1.000 61.148 62.100 0.080 0.000 1.060 42 T CB 0.740 69.675 68.868 0.111 0.000 0.904 42 T HN 0.379 nan 8.240 nan 0.000 0.500 43 P HA 0.244 nan 4.420 nan 0.000 0.275 43 P C -0.114 177.028 177.300 -0.264 0.000 1.228 43 P CA -0.408 62.485 63.100 -0.345 0.000 0.786 43 P CB 0.123 31.047 31.700 -1.293 0.000 0.927 44 F N -1.199 118.933 119.950 0.302 0.000 3.023 44 F HA -0.219 4.308 4.527 -0.000 0.000 0.297 44 F C 1.161 177.118 175.800 0.262 0.000 0.858 44 F CA 0.077 58.226 58.000 0.249 0.000 1.222 44 F CB -2.294 36.785 39.000 0.133 0.000 1.263 44 F HN 0.386 nan 8.300 nan 0.000 0.565 45 A N -0.457 122.553 122.820 0.316 0.000 2.115 45 A HA 0.699 5.019 4.320 -0.000 0.000 0.211 45 A C 1.101 178.800 177.584 0.190 0.000 1.169 45 A CA 0.913 53.057 52.037 0.178 0.000 0.787 45 A CB 0.244 19.264 19.000 0.032 0.000 0.858 45 A HN 0.859 nan 8.150 nan 0.000 0.474 46 A N 0.418 123.319 122.820 0.135 0.000 2.401 46 A HA 0.717 5.037 4.320 -0.000 0.000 0.310 46 A C -3.088 174.292 177.584 -0.341 0.000 1.075 46 A CA -2.007 50.016 52.037 -0.022 0.000 0.746 46 A CB 1.062 19.976 19.000 -0.143 0.000 1.277 46 A HN 0.058 nan 8.150 nan 0.000 0.425 47 P HA 0.233 nan 4.420 nan 0.000 0.271 47 P C -0.206 176.816 177.300 -0.463 0.000 1.218 47 P CA -0.220 62.316 63.100 -0.940 0.000 0.780 47 P CB 0.519 31.914 31.700 -0.508 0.000 0.901 48 L N 2.933 123.907 121.223 -0.414 0.000 2.485 48 L HA 0.234 4.574 4.340 -0.000 0.000 0.275 48 L C 0.433 177.218 176.870 -0.142 0.000 1.207 48 L CA 0.891 55.602 54.840 -0.216 0.000 0.855 48 L CB -0.018 41.926 42.059 -0.193 0.000 1.114 48 L HN 0.562 nan 8.230 nan 0.000 0.485 49 T N 2.402 116.905 114.554 -0.085 0.000 2.949 49 T HA 0.788 5.138 4.350 -0.000 0.000 0.287 49 T C -0.308 174.381 174.700 -0.020 0.000 1.034 49 T CA -0.257 61.814 62.100 -0.048 0.000 1.018 49 T CB 1.617 70.464 68.868 -0.035 0.000 1.135 49 T HN 0.858 nan 8.240 nan 0.000 0.532 50 V N -1.988 117.925 119.914 -0.002 0.000 2.789 50 V HA 0.757 4.876 4.120 -0.000 0.000 0.311 50 V C -3.031 173.074 176.094 0.018 0.000 1.073 50 V CA -2.720 59.589 62.300 0.015 0.000 0.921 50 V CB 0.789 32.630 31.823 0.030 0.000 1.009 50 V HN 0.806 nan 8.190 nan 0.000 0.426 51 P HA 0.250 nan 4.420 nan 0.000 0.268 51 P C -2.535 174.789 177.300 0.040 0.000 1.208 51 P CA -0.508 62.612 63.100 0.034 0.000 0.777 51 P CB -0.320 31.407 31.700 0.046 0.000 0.875 52 P HA -0.021 nan 4.420 nan 0.000 0.268 52 P C -0.668 176.656 177.300 0.041 0.000 1.208 52 P CA 0.233 63.356 63.100 0.038 0.000 0.777 52 P CB 0.407 32.132 31.700 0.041 0.000 0.875 53 V N 3.183 123.112 119.914 0.026 0.000 2.481 53 V HA 0.263 4.383 4.120 -0.000 0.000 0.286 53 V C 0.388 176.484 176.094 0.003 0.000 1.042 53 V CA -0.389 61.920 62.300 0.015 0.000 0.928 53 V CB 1.069 32.894 31.823 0.003 0.000 0.986 53 V HN 0.406 nan 8.190 nan 0.000 0.462 54 L N 6.192 127.409 121.223 -0.010 0.000 2.381 54 L HA 0.598 4.937 4.340 -0.000 0.000 0.274 54 L C -0.256 176.574 176.870 -0.067 0.000 0.988 54 L CA -0.211 54.611 54.840 -0.030 0.000 0.824 54 L CB 1.628 43.673 42.059 -0.024 0.000 1.263 54 L HN 0.553 nan 8.230 nan 0.000 0.410 55 R N 6.217 126.680 120.500 -0.062 0.000 2.287 55 R HA 0.408 4.748 4.340 -0.000 0.000 0.316 55 R C -1.781 174.479 176.300 -0.067 0.000 1.050 55 R CA -1.298 54.757 56.100 -0.074 0.000 0.983 55 R CB 0.983 31.249 30.300 -0.057 0.000 1.140 55 R HN 0.540 nan 8.270 nan 0.000 0.528 56 P HA 0.054 nan 4.420 nan 0.000 0.251 56 P C 0.121 177.396 177.300 -0.042 0.000 1.223 56 P CA 0.143 63.204 63.100 -0.065 0.000 0.796 56 P CB 0.426 32.080 31.700 -0.077 0.000 1.068 57 A N 0.931 123.729 122.820 -0.037 0.000 2.520 57 A HA 0.418 4.738 4.320 -0.000 0.000 0.235 57 A C 0.670 178.244 177.584 -0.018 0.000 1.065 57 A CA 0.626 52.652 52.037 -0.018 0.000 0.764 57 A CB -0.232 18.758 19.000 -0.016 0.000 1.002 57 A HN 0.405 nan 8.150 nan 0.000 0.502 58 S N -0.172 115.522 115.700 -0.011 0.000 2.672 58 S HA 0.450 4.920 4.470 -0.000 0.000 0.271 58 S C -0.352 174.245 174.600 -0.007 0.000 1.171 58 S CA -0.304 57.889 58.200 -0.012 0.000 0.817 58 S CB 0.968 64.158 63.200 -0.017 0.000 1.150 58 S HN 0.534 nan 8.310 nan 0.000 0.478 59 D N 0.401 120.797 120.400 -0.007 0.000 2.355 59 D HA 0.126 4.765 4.640 -0.000 0.000 0.218 59 D C -0.085 176.212 176.300 -0.005 0.000 1.004 59 D CA 0.558 54.556 54.000 -0.004 0.000 0.880 59 D CB 0.228 41.026 40.800 -0.005 0.000 0.911 59 D HN 0.631 nan 8.370 nan 0.000 0.528 60 E N 1.373 121.568 120.200 -0.008 0.000 2.376 60 E HA 0.114 4.464 4.350 -0.000 0.000 0.236 60 E C 0.749 177.342 176.600 -0.012 0.000 0.962 60 E CA -0.245 56.149 56.400 -0.010 0.000 0.768 60 E CB 1.589 31.282 29.700 -0.012 0.000 1.236 60 E HN -0.215 nan 8.360 nan 0.000 0.431 61 V N 3.210 123.119 119.914 -0.008 0.000 2.568 61 V HA -0.221 3.899 4.120 -0.000 0.000 0.253 61 V C 1.942 178.025 176.094 -0.019 0.000 1.072 61 V CA 2.707 65.001 62.300 -0.009 0.000 1.084 61 V CB -0.252 31.572 31.823 0.000 0.000 0.676 61 V HN 0.747 nan 8.190 nan 0.000 0.469 62 T N -1.465 113.078 114.554 -0.018 0.000 3.113 62 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 62 T C 1.167 175.849 174.700 -0.030 0.000 1.143 62 T CA 0.277 62.363 62.100 -0.024 0.000 1.090 62 T CB -0.357 68.500 68.868 -0.019 0.000 0.922 62 T HN 0.376 nan 8.240 nan 0.000 0.521 63 R N 2.451 122.933 120.500 -0.030 0.000 2.296 63 R HA 0.321 4.661 4.340 -0.000 0.000 0.327 63 R C -0.521 175.751 176.300 -0.047 0.000 1.137 63 R CA -0.477 55.602 56.100 -0.035 0.000 1.020 63 R CB -0.376 29.907 30.300 -0.028 0.000 1.110 63 R HN 0.422 nan 8.270 nan 0.000 0.499 64 E N 1.481 121.646 120.200 -0.059 0.000 2.392 64 E HA 0.105 4.455 4.350 -0.000 0.000 0.259 64 E C -0.418 176.126 176.600 -0.093 0.000 1.108 64 E CA 0.111 56.460 56.400 -0.084 0.000 0.916 64 E CB 0.763 30.404 29.700 -0.099 0.000 0.989 64 E HN 0.468 nan 8.360 nan 0.000 0.432 65 T N 1.895 116.374 114.554 -0.126 0.000 2.767 65 T HA 0.094 4.444 4.350 -0.000 0.000 0.288 65 T C -0.241 174.352 174.700 -0.178 0.000 0.963 65 T CA -0.428 61.590 62.100 -0.136 0.000 1.019 65 T CB 0.701 69.480 68.868 -0.147 0.000 0.923 65 T HN 0.374 nan 8.240 nan 0.000 0.468 66 E N 3.907 124.031 120.200 -0.127 0.000 2.229 66 E HA 0.294 4.644 4.350 -0.000 0.000 0.283 66 E C -0.791 175.743 176.600 -0.109 0.000 1.030 66 E CA -0.414 55.916 56.400 -0.117 0.000 0.836 66 E CB 0.479 30.142 29.700 -0.062 0.000 1.068 66 E HN 0.553 nan 8.360 nan 0.000 0.401 67 I N 4.132 124.627 120.570 -0.125 0.000 2.390 67 I HA 0.320 4.490 4.170 -0.000 0.000 0.283 67 I C -0.298 175.925 176.117 0.177 0.000 1.016 67 I CA -0.725 60.580 61.300 0.008 0.000 1.151 67 I CB 1.505 39.441 38.000 -0.107 0.000 1.293 67 I HN 0.500 nan 8.210 nan 0.000 0.458 68 A N 7.607 130.518 122.820 0.151 0.000 2.269 68 A HA 0.643 4.963 4.320 -0.000 0.000 0.302 68 A C -0.486 177.184 177.584 0.143 0.000 1.266 68 A CA -0.496 51.615 52.037 0.124 0.000 0.894 68 A CB 0.270 19.309 19.000 0.064 0.000 1.147 68 A HN 0.570 nan 8.150 nan 0.000 0.537 69 L N 3.562 124.847 121.223 0.104 0.000 2.360 69 L HA 0.364 4.704 4.340 -0.000 0.000 0.276 69 L C 0.795 177.622 176.870 -0.072 0.000 1.121 69 L CA 0.993 55.817 54.840 -0.026 0.000 0.845 69 L CB 0.025 42.000 42.059 -0.140 0.000 1.143 69 L HN 0.702 nan 8.230 nan 0.000 0.452 70 R N 3.412 123.872 120.500 -0.066 0.000 2.744 70 R HA 0.572 4.912 4.340 -0.000 0.000 0.279 70 R C -2.669 173.598 176.300 -0.055 0.000 0.977 70 R CA -2.043 54.028 56.100 -0.048 0.000 0.906 70 R CB 1.425 31.740 30.300 0.026 0.000 1.197 70 R HN 0.256 nan 8.270 nan 0.000 0.463 71 P HA 0.076 nan 4.420 nan 0.000 0.269 71 P C -0.483 176.835 177.300 0.029 0.000 1.209 71 P CA 0.076 63.212 63.100 0.059 0.000 0.776 71 P CB 0.895 32.640 31.700 0.075 0.000 0.876 72 T N 1.231 115.755 114.554 -0.051 0.000 2.853 72 T HA 0.552 4.901 4.350 -0.000 0.000 0.311 72 T C -2.110 172.463 174.700 -0.212 0.000 1.307 72 T CA -0.569 61.513 62.100 -0.031 0.000 1.019 72 T CB 0.501 69.389 68.868 0.033 0.000 1.264 72 T HN 0.149 nan 8.240 nan 0.000 0.497 73 W N 2.699 124.020 121.300 0.035 0.000 2.318 73 W HA 0.656 5.316 4.660 -0.000 0.000 0.315 73 W C -0.720 175.804 176.519 0.009 0.000 1.033 73 W CA -0.548 56.807 57.345 0.018 0.000 1.275 73 W CB 1.531 30.998 29.460 0.012 0.000 1.250 73 W HN 0.394 nan 8.180 nan 0.000 0.421 74 V N 4.108 124.116 119.914 0.157 0.000 2.513 74 V HA 0.423 4.543 4.120 -0.000 0.000 0.299 74 V C -0.129 176.023 176.094 0.097 0.000 1.035 74 V CA -1.250 61.104 62.300 0.090 0.000 0.889 74 V CB 1.750 33.587 31.823 0.023 0.000 0.988 74 V HN 0.269 nan 8.190 nan 0.000 0.440 75 R N 3.623 124.162 120.500 0.066 0.000 2.296 75 R HA 0.415 4.755 4.340 -0.000 0.000 0.327 75 R C 0.725 177.029 176.300 0.008 0.000 1.137 75 R CA -0.056 56.070 56.100 0.043 0.000 1.020 75 R CB -0.009 30.306 30.300 0.026 0.000 1.110 75 R HN 0.767 nan 8.270 nan 0.000 0.499 76 L N 1.717 122.942 121.223 0.004 0.000 2.131 76 L HA -0.041 4.298 4.340 -0.000 0.000 0.210 76 L C 0.720 177.590 176.870 -0.000 0.000 1.092 76 L CA 0.992 55.819 54.840 -0.022 0.000 0.759 76 L CB -0.245 41.776 42.059 -0.064 0.000 0.903 76 L HN 0.625 nan 8.230 nan 0.000 0.435 77 H N -2.235 116.779 119.070 -0.095 0.000 3.139 77 H HA 0.113 4.669 4.556 -0.000 0.000 0.325 77 H C -2.310 172.985 175.328 -0.056 0.000 1.146 77 H CA -1.012 54.979 56.048 -0.095 0.000 1.351 77 H CB 2.130 31.787 29.762 -0.175 0.000 2.005 77 H HN -0.312 nan 8.280 nan 0.000 0.517 78 P HA -0.099 nan 4.420 nan 0.000 0.218 78 P C 0.686 178.027 177.300 0.068 0.000 1.146 78 P CA 1.333 64.378 63.100 -0.092 0.000 0.813 78 P CB 0.302 31.914 31.700 -0.147 0.000 0.778 79 Q N -1.413 118.563 119.800 0.293 0.000 2.360 79 Q HA 0.178 4.518 4.340 -0.000 0.000 0.202 79 Q C 0.424 176.471 176.000 0.078 0.000 0.915 79 Q CA -0.027 55.879 55.803 0.173 0.000 0.943 79 Q CB 0.080 28.911 28.738 0.155 0.000 1.064 79 Q HN 0.313 nan 8.270 nan 0.000 0.511 80 L N 1.918 123.188 121.223 0.078 0.000 2.334 80 L HA 0.471 4.810 4.340 -0.000 0.000 0.272 80 L C -2.100 174.783 176.870 0.021 0.000 1.020 80 L CA -2.380 52.466 54.840 0.011 0.000 0.812 80 L CB 1.100 43.146 42.059 -0.021 0.000 1.264 80 L HN -0.080 nan 8.230 nan 0.000 0.439 81 P HA 0.243 nan 4.420 nan 0.000 0.274 81 P C -2.696 174.648 177.300 0.074 0.000 1.246 81 P CA -1.575 61.543 63.100 0.029 0.000 0.795 81 P CB -0.241 31.475 31.700 0.026 0.000 1.006 82 P HA 0.124 nan 4.420 nan 0.000 0.267 82 P C -0.383 177.153 177.300 0.392 0.000 1.200 82 P CA 0.529 63.762 63.100 0.222 0.000 0.772 82 P CB 0.011 31.838 31.700 0.212 0.000 0.855 83 T N 2.806 117.537 114.554 0.296 0.000 2.824 83 T HA 0.358 4.708 4.350 -0.000 0.000 0.280 83 T C -0.210 174.379 174.700 -0.184 0.000 0.995 83 T CA -0.513 61.651 62.100 0.108 0.000 1.009 83 T CB 0.571 69.434 68.868 -0.007 0.000 0.955 83 T HN 0.179 nan 8.240 nan 0.000 0.452 84 L N 4.725 125.571 121.223 -0.628 0.000 2.360 84 L HA 0.514 4.854 4.340 -0.000 0.000 0.276 84 L C -0.529 175.990 176.870 -0.586 0.000 1.121 84 L CA 0.668 54.838 54.840 -1.117 0.000 0.845 84 L CB -0.366 41.015 42.059 -1.130 0.000 1.143 84 L HN 0.663 nan 8.230 nan 0.000 0.452 85 M N 3.508 122.828 119.600 -0.467 0.000 2.704 85 M HA 0.386 4.866 4.480 -0.000 0.000 0.284 85 M C -1.542 174.727 176.300 -0.051 0.000 1.275 85 M CA -0.619 54.519 55.300 -0.271 0.000 0.811 85 M CB 2.127 34.645 32.600 -0.137 0.000 1.741 85 M HN 0.397 nan 8.290 nan 0.000 0.458 86 W N 0.781 121.947 121.300 -0.224 0.000 2.475 86 W HA 0.705 5.366 4.660 0.000 0.000 0.317 86 W C -0.115 176.302 176.519 -0.170 0.000 1.046 86 W CA -1.076 56.154 57.345 -0.191 0.000 1.215 86 W CB 1.369 30.711 29.460 -0.197 0.000 1.335 86 W HN 0.659 nan 8.180 nan 0.000 0.471 87 G N 2.069 110.898 108.800 0.050 0.000 2.571 87 G HA2 0.513 4.473 3.960 -0.000 0.000 0.304 87 G HA3 0.513 4.473 3.960 -0.000 0.000 0.304 87 G C -1.997 172.907 174.900 0.008 0.000 1.314 87 G CA -0.765 44.335 45.100 -0.000 0.000 0.975 87 G HN 0.164 nan 8.290 nan 0.000 0.485 88 Y N 1.445 121.844 120.300 0.165 0.000 2.677 88 Y HA 0.107 4.657 4.550 -0.000 0.000 0.335 88 Y C 0.918 176.917 175.900 0.165 0.000 1.162 88 Y CA 0.645 58.883 58.100 0.228 0.000 1.483 88 Y CB 0.475 39.180 38.460 0.408 0.000 1.209 88 Y HN 0.633 nan 8.280 nan 0.000 0.528 89 D N 2.247 122.807 120.400 0.267 0.000 2.911 89 D HA -0.194 4.445 4.640 -0.000 0.000 0.227 89 D C 1.290 177.663 176.300 0.122 0.000 1.164 89 D CA 1.653 55.749 54.000 0.161 0.000 0.782 89 D CB -1.261 39.628 40.800 0.148 0.000 1.094 89 D HN 1.070 nan 8.370 nan 0.000 0.425 90 G N -0.858 108.006 108.800 0.106 0.000 2.179 90 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.257 90 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.257 90 G C 0.035 174.981 174.900 0.077 0.000 1.010 90 G CA 0.588 45.734 45.100 0.078 0.000 0.736 90 G HN 0.399 nan 8.290 nan 0.000 0.513 91 Q N -0.612 119.244 119.800 0.094 0.000 2.309 91 Q HA 0.682 5.022 4.340 -0.000 0.000 0.264 91 Q C -0.324 175.697 176.000 0.035 0.000 1.008 91 Q CA -0.704 55.141 55.803 0.070 0.000 0.853 91 Q CB 2.658 31.450 28.738 0.089 0.000 1.314 91 Q HN 0.339 nan 8.270 nan 0.000 0.448 92 V N 3.443 123.348 119.914 -0.015 0.000 2.482 92 V HA 0.343 4.463 4.120 -0.000 0.000 0.295 92 V C -2.240 173.780 176.094 -0.123 0.000 1.026 92 V CA -1.687 60.550 62.300 -0.106 0.000 0.856 92 V CB 1.784 33.569 31.823 -0.065 0.000 1.001 92 V HN 0.605 nan 8.190 nan 0.000 0.424 93 P HA 0.268 nan 4.420 nan 0.000 0.272 93 P C 0.542 177.754 177.300 -0.147 0.000 1.240 93 P CA 0.136 62.966 63.100 -0.449 0.000 0.791 93 P CB 0.565 32.017 31.700 -0.414 0.000 0.978 94 G N 1.044 109.812 108.800 -0.053 0.000 2.716 94 G HA2 0.256 4.215 3.960 -0.000 0.000 0.251 94 G HA3 0.256 4.215 3.960 -0.000 0.000 0.251 94 G C -2.446 172.591 174.900 0.227 0.000 1.224 94 G CA -0.877 44.370 45.100 0.244 0.000 0.891 94 G HN 0.329 nan 8.290 nan 0.000 0.561 95 P HA 0.134 nan 4.420 nan 0.000 0.266 95 P C 0.087 177.536 177.300 0.247 0.000 1.195 95 P CA 0.180 63.401 63.100 0.203 0.000 0.768 95 P CB 0.495 32.288 31.700 0.155 0.000 0.838 96 T N 4.600 119.247 114.554 0.154 0.000 2.751 96 T HA 0.214 4.564 4.350 -0.000 0.000 0.290 96 T C 0.686 175.438 174.700 0.087 0.000 0.919 96 T CA 0.125 62.314 62.100 0.149 0.000 1.136 96 T CB -0.702 68.217 68.868 0.086 0.000 0.875 96 T HN 0.198 nan 8.240 nan 0.000 0.532 97 I N 3.385 124.010 120.570 0.093 0.000 2.474 97 I HA 0.262 4.432 4.170 -0.000 0.000 0.287 97 I C 0.729 176.691 176.117 -0.257 0.000 1.048 97 I CA -0.159 61.073 61.300 -0.114 0.000 1.383 97 I CB 0.869 38.758 38.000 -0.185 0.000 1.412 97 I HN 0.538 nan 8.210 nan 0.000 0.531 98 E N 6.323 126.375 120.200 -0.246 0.000 2.224 98 E HA 0.616 4.966 4.350 -0.000 0.000 0.265 98 E C -1.449 175.005 176.600 -0.242 0.000 0.878 98 E CA -0.638 55.620 56.400 -0.237 0.000 0.759 98 E CB 2.055 31.682 29.700 -0.122 0.000 1.164 98 E HN 0.450 nan 8.360 nan 0.000 0.414 99 V N 0.890 120.646 119.914 -0.262 0.000 3.130 99 V HA 0.685 4.805 4.120 -0.000 0.000 0.310 99 V C -0.868 175.162 176.094 -0.108 0.000 1.158 99 V CA -1.153 61.047 62.300 -0.168 0.000 1.029 99 V CB 1.951 33.678 31.823 -0.160 0.000 1.057 99 V HN 0.620 nan 8.190 nan 0.000 0.436 100 R N 0.895 121.361 120.500 -0.056 0.000 2.474 100 R HA 0.532 4.872 4.340 -0.000 0.000 0.295 100 R C -0.021 176.274 176.300 -0.009 0.000 0.980 100 R CA -0.902 55.175 56.100 -0.038 0.000 0.934 100 R CB 1.486 31.770 30.300 -0.026 0.000 1.101 100 R HN 0.851 nan 8.270 nan 0.000 0.469 101 R N 0.949 121.442 120.500 -0.012 0.000 2.669 101 R HA -0.231 4.109 4.340 -0.000 0.000 0.283 101 R C 0.705 177.027 176.300 0.038 0.000 0.851 101 R CA 1.850 57.962 56.100 0.018 0.000 1.126 101 R CB -0.239 30.063 30.300 0.003 0.000 0.883 101 R HN 1.014 nan 8.270 nan 0.000 0.418 102 G N 2.891 111.734 108.800 0.072 0.000 2.179 102 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 102 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 102 G C -0.103 174.836 174.900 0.065 0.000 0.977 102 G CA 0.413 45.555 45.100 0.070 0.000 0.641 102 G HN 0.675 nan 8.290 nan 0.000 0.533 103 Q N 0.614 120.450 119.800 0.061 0.000 2.325 103 Q HA 0.285 4.625 4.340 -0.000 0.000 0.256 103 Q C 0.737 176.793 176.000 0.092 0.000 1.142 103 Q CA -0.287 55.549 55.803 0.056 0.000 0.902 103 Q CB 0.568 29.325 28.738 0.032 0.000 1.350 103 Q HN 0.454 nan 8.270 nan 0.000 0.449 104 R N 2.497 123.048 120.500 0.085 0.000 2.421 104 R HA 0.161 4.501 4.340 -0.000 0.000 0.305 104 R C -0.452 175.903 176.300 0.091 0.000 1.039 104 R CA -0.119 56.041 56.100 0.101 0.000 1.003 104 R CB 0.311 30.652 30.300 0.069 0.000 0.959 104 R HN 0.466 nan 8.270 nan 0.000 0.427 105 V N 1.859 121.856 119.914 0.139 0.000 2.823 105 V HA 0.659 4.779 4.120 -0.000 0.000 0.312 105 V C -0.759 175.374 176.094 0.064 0.000 1.072 105 V CA -1.121 61.242 62.300 0.104 0.000 0.937 105 V CB 2.144 34.042 31.823 0.125 0.000 1.013 105 V HN 0.783 nan 8.190 nan 0.000 0.430 106 R N 3.601 124.091 120.500 -0.016 0.000 2.437 106 R HA 0.759 5.099 4.340 -0.000 0.000 0.310 106 R C -1.181 175.030 176.300 -0.147 0.000 0.955 106 R CA -0.513 55.527 56.100 -0.100 0.000 0.851 106 R CB 2.117 32.362 30.300 -0.092 0.000 1.161 106 R HN 0.794 nan 8.270 nan 0.000 0.446 107 I N 1.751 122.173 120.570 -0.247 0.000 2.465 107 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 107 I C -0.147 175.688 176.117 -0.470 0.000 1.014 107 I CA -0.802 60.241 61.300 -0.429 0.000 1.093 107 I CB 2.186 39.767 38.000 -0.697 0.000 1.267 107 I HN 0.637 nan 8.210 nan 0.000 0.431 108 A N 6.695 129.294 122.820 -0.369 0.000 2.478 108 A HA 0.373 4.693 4.320 -0.000 0.000 0.327 108 A C -1.252 176.224 177.584 -0.181 0.000 1.431 108 A CA -0.364 51.543 52.037 -0.216 0.000 1.014 108 A CB -0.397 18.532 19.000 -0.118 0.000 1.143 108 A HN 0.693 nan 8.150 nan 0.000 0.532 109 W N 2.423 123.729 121.300 0.011 0.000 2.546 109 W HA 0.396 5.056 4.660 0.000 0.000 0.323 109 W C 0.077 176.621 176.519 0.042 0.000 1.272 109 W CA -0.015 57.366 57.345 0.059 0.000 1.404 109 W CB 0.610 30.126 29.460 0.094 0.000 1.411 109 W HN 0.470 nan 8.180 nan 0.000 0.480 110 T N 3.639 118.326 114.554 0.222 0.000 2.786 110 T HA 0.090 4.440 4.350 -0.000 0.000 0.283 110 T C -0.325 174.411 174.700 0.060 0.000 0.992 110 T CA -0.835 61.317 62.100 0.087 0.000 0.954 110 T CB 0.698 69.580 68.868 0.023 0.000 0.934 110 T HN 0.168 nan 8.240 nan 0.000 0.440 111 N N 2.834 121.538 118.700 0.008 0.000 2.402 111 N HA 0.113 4.853 4.740 -0.000 0.000 0.252 111 N C 0.432 175.910 175.510 -0.054 0.000 1.118 111 N CA -0.333 52.705 53.050 -0.020 0.000 0.945 111 N CB 0.409 38.893 38.487 -0.006 0.000 1.147 111 N HN 0.441 nan 8.380 nan 0.000 0.495 112 R N 3.570 124.072 120.500 0.003 0.000 2.613 112 R HA 0.269 4.609 4.340 -0.000 0.000 0.361 112 R C -0.143 176.284 176.300 0.211 0.000 1.072 112 R CA -0.349 55.820 56.100 0.115 0.000 1.089 112 R CB 0.235 30.573 30.300 0.063 0.000 1.343 112 R HN 0.509 nan 8.270 nan 0.000 0.571 113 I N 3.416 124.028 120.570 0.069 0.000 2.363 113 I HA 0.141 4.310 4.170 -0.000 0.000 0.292 113 I C -2.077 174.001 176.117 -0.065 0.000 1.075 113 I CA -1.947 59.275 61.300 -0.130 0.000 1.333 113 I CB 0.545 38.179 38.000 -0.610 0.000 1.415 113 I HN -0.295 nan 8.210 nan 0.000 0.502 114 P HA 0.013 nan 4.420 nan 0.000 0.266 114 P C -0.616 176.423 177.300 -0.435 0.000 1.195 114 P CA -0.264 62.406 63.100 -0.717 0.000 0.768 114 P CB 0.351 31.790 31.700 -0.435 0.000 0.838 115 K N 1.827 121.923 120.400 -0.506 0.000 2.469 115 K HA 0.161 4.481 4.320 -0.000 0.000 0.274 115 K C 1.404 177.934 176.600 -0.117 0.000 0.983 115 K CA 0.888 57.063 56.287 -0.186 0.000 0.974 115 K CB -0.535 31.889 32.500 -0.126 0.000 0.913 115 K HN 0.874 nan 8.250 nan 0.000 0.493 116 G N 1.313 110.097 108.800 -0.026 0.000 2.179 116 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 116 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 116 G C 0.096 175.020 174.900 0.040 0.000 0.977 116 G CA 0.328 45.430 45.100 0.003 0.000 0.641 116 G HN 0.521 nan 8.290 nan 0.000 0.533 117 S N 0.603 116.341 115.700 0.063 0.000 2.549 117 S HA 0.328 4.797 4.470 -0.000 0.000 0.283 117 S C 0.533 175.249 174.600 0.193 0.000 1.320 117 S CA -0.136 58.144 58.200 0.133 0.000 1.058 117 S CB 1.355 64.659 63.200 0.174 0.000 0.882 117 S HN 0.498 nan 8.310 nan 0.000 0.498 118 E N 1.747 122.035 120.200 0.148 0.000 2.415 118 E HA -0.044 4.306 4.350 -0.000 0.000 0.263 118 E C -0.975 175.675 176.600 0.084 0.000 0.995 118 E CA -0.136 56.327 56.400 0.106 0.000 0.915 118 E CB 0.345 30.080 29.700 0.058 0.000 0.951 118 E HN 0.579 nan 8.360 nan 0.000 0.449 119 Y N 6.541 126.799 120.300 -0.070 0.000 2.465 119 Y HA 0.122 4.671 4.550 -0.000 0.000 0.331 119 Y C -1.804 173.859 175.900 -0.395 0.000 1.102 119 Y CA -1.884 56.057 58.100 -0.265 0.000 1.358 119 Y CB 1.067 39.386 38.460 -0.235 0.000 1.213 119 Y HN 0.550 nan 8.280 nan 0.000 0.525 120 P HA -0.092 nan 4.420 nan 0.000 0.221 120 P C -0.635 176.351 177.300 -0.523 0.000 1.150 120 P CA 1.005 63.614 63.100 -0.819 0.000 0.800 120 P CB 0.220 31.275 31.700 -1.076 0.000 0.787 121 V N 0.372 119.986 119.914 -0.501 0.000 2.370 121 V HA 0.194 4.314 4.120 -0.000 0.000 0.283 121 V C 0.287 176.351 176.094 -0.050 0.000 1.023 121 V CA -0.337 61.862 62.300 -0.168 0.000 0.857 121 V CB 1.175 32.980 31.823 -0.030 0.000 0.985 121 V HN -0.079 nan 8.190 nan 0.000 0.443 122 T N 3.838 118.368 114.554 -0.041 0.000 2.832 122 T HA 0.306 4.656 4.350 -0.000 0.000 0.296 122 T C 0.170 174.871 174.700 0.003 0.000 0.968 122 T CA 0.053 62.132 62.100 -0.036 0.000 1.107 122 T CB 1.148 70.012 68.868 -0.007 0.000 0.916 122 T HN 0.685 nan 8.240 nan 0.000 0.517 123 S N 2.524 118.184 115.700 -0.066 0.000 2.473 123 S HA 0.732 5.202 4.470 -0.000 0.000 0.307 123 S C -0.488 174.154 174.600 0.071 0.000 1.094 123 S CA -0.705 57.522 58.200 0.045 0.000 1.070 123 S CB 0.401 63.501 63.200 -0.166 0.000 1.019 123 S HN 0.684 nan 8.310 nan 0.000 0.480 124 V N 1.968 121.976 119.914 0.158 0.000 3.078 124 V HA 0.753 4.873 4.120 -0.000 0.000 0.311 124 V C -1.036 175.154 176.094 0.160 0.000 1.138 124 V CA -0.940 61.432 62.300 0.120 0.000 1.007 124 V CB 1.870 33.746 31.823 0.089 0.000 1.045 124 V HN 0.855 nan 8.190 nan 0.000 0.432 125 E N 1.377 121.652 120.200 0.125 0.000 2.187 125 E HA 0.729 5.079 4.350 -0.000 0.000 0.268 125 E C -1.495 175.155 176.600 0.083 0.000 0.896 125 E CA -0.755 55.718 56.400 0.120 0.000 0.766 125 E CB 2.626 32.402 29.700 0.126 0.000 1.142 125 E HN 0.603 nan 8.360 nan 0.000 0.408 126 V N 3.903 123.860 119.914 0.072 0.000 2.680 126 V HA 0.358 4.477 4.120 -0.000 0.000 0.309 126 V C -2.338 173.780 176.094 0.039 0.000 1.052 126 V CA -2.276 60.054 62.300 0.050 0.000 0.908 126 V CB 1.982 33.831 31.823 0.044 0.000 1.001 126 V HN 0.570 nan 8.190 nan 0.000 0.431 127 P HA 0.142 nan 4.420 nan 0.000 0.272 127 P C 0.501 177.809 177.300 0.014 0.000 1.223 127 P CA -0.284 62.830 63.100 0.023 0.000 0.784 127 P CB 0.776 32.487 31.700 0.018 0.000 0.923 128 L N 2.307 123.535 121.223 0.009 0.000 2.056 128 L HA 0.123 4.463 4.340 -0.000 0.000 0.207 128 L C 1.183 178.047 176.870 -0.009 0.000 1.078 128 L CA 2.457 57.296 54.840 -0.002 0.000 0.749 128 L CB -1.617 40.439 42.059 -0.004 0.000 0.901 128 L HN 0.758 nan 8.230 nan 0.000 0.433 129 G N -0.667 108.130 108.800 -0.005 0.000 2.806 129 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.236 129 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.236 129 G C -2.170 172.722 174.900 -0.014 0.000 1.387 129 G CA -0.234 44.861 45.100 -0.008 0.000 0.884 129 G HN 0.492 nan 8.290 nan 0.000 0.560 130 P HA 0.325 nan 4.420 nan 0.000 0.269 130 P C -2.002 175.284 177.300 -0.023 0.000 1.215 130 P CA -0.692 62.398 63.100 -0.017 0.000 0.780 130 P CB 0.147 31.837 31.700 -0.015 0.000 0.898 131 P HA 0.131 nan 4.420 nan 0.000 0.275 131 P C 0.730 178.011 177.300 -0.033 0.000 1.266 131 P CA 0.219 63.300 63.100 -0.030 0.000 0.793 131 P CB 0.031 31.714 31.700 -0.027 0.000 1.074 132 G N -0.882 107.894 108.800 -0.039 0.000 2.155 132 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.257 132 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.257 132 G C 0.207 175.081 174.900 -0.044 0.000 0.983 132 G CA 0.658 45.733 45.100 -0.040 0.000 0.676 132 G HN 0.997 nan 8.290 nan 0.000 0.528 133 T N -2.404 112.122 114.554 -0.047 0.000 2.906 133 T HA 0.684 5.034 4.350 -0.000 0.000 0.295 133 T C -2.925 171.737 174.700 -0.065 0.000 1.075 133 T CA -1.684 60.385 62.100 -0.053 0.000 1.005 133 T CB 2.650 71.492 68.868 -0.043 0.000 1.136 133 T HN 0.007 nan 8.240 nan 0.000 0.498 134 P HA 0.284 nan 4.420 nan 0.000 0.263 134 P C -0.017 177.232 177.300 -0.086 0.000 1.168 134 P CA 0.013 63.055 63.100 -0.097 0.000 0.759 134 P CB -0.116 31.519 31.700 -0.108 0.000 0.782 135 A N 6.435 129.196 122.820 -0.098 0.000 2.448 135 A HA 0.198 4.517 4.320 -0.000 0.000 0.239 135 A C -1.168 176.371 177.584 -0.075 0.000 1.080 135 A CA -0.671 51.315 52.037 -0.084 0.000 0.779 135 A CB -0.813 18.125 19.000 -0.103 0.000 1.026 135 A HN 0.419 nan 8.150 nan 0.000 0.499 136 P HA -0.114 nan 4.420 nan 0.000 0.222 136 P C 0.628 177.901 177.300 -0.046 0.000 1.147 136 P CA 1.278 64.357 63.100 -0.036 0.000 0.790 136 P CB -0.117 31.577 31.700 -0.011 0.000 0.780 137 N N -1.843 116.817 118.700 -0.068 0.000 2.575 137 N HA -0.041 4.699 4.740 -0.000 0.000 0.192 137 N C 0.786 176.209 175.510 -0.144 0.000 1.200 137 N CA 0.948 53.935 53.050 -0.104 0.000 0.897 137 N CB -1.525 36.890 38.487 -0.120 0.000 0.990 137 N HN -0.018 nan 8.380 nan 0.000 0.449 138 T N -0.561 113.913 114.554 -0.133 0.000 3.069 138 T HA 0.148 4.498 4.350 -0.000 0.000 0.252 138 T C -0.308 174.303 174.700 -0.149 0.000 1.053 138 T CA 0.028 62.026 62.100 -0.170 0.000 0.964 138 T CB 0.265 69.032 68.868 -0.169 0.000 1.005 138 T HN 0.363 nan 8.240 nan 0.000 0.532 139 E N 1.791 121.942 120.200 -0.080 0.000 2.317 139 E HA 0.362 4.712 4.350 -0.000 0.000 0.270 139 E C -2.696 173.928 176.600 0.040 0.000 0.885 139 E CA -2.460 53.929 56.400 -0.018 0.000 0.760 139 E CB 2.201 31.898 29.700 -0.004 0.000 1.227 139 E HN 0.026 nan 8.360 nan 0.000 0.434 140 P HA 0.221 nan 4.420 nan 0.000 0.275 140 P C 0.179 177.547 177.300 0.113 0.000 1.266 140 P CA 0.184 63.389 63.100 0.175 0.000 0.793 140 P CB 0.471 32.327 31.700 0.260 0.000 1.074 141 G N 0.267 109.133 108.800 0.110 0.000 2.746 141 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.685 141 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.685 141 G C 0.280 175.222 174.900 0.070 0.000 1.350 141 G CA -0.414 44.733 45.100 0.079 0.000 0.837 141 G HN 0.513 nan 8.290 nan 0.000 0.564 142 R N 0.827 121.362 120.500 0.058 0.000 2.310 142 R HA 0.407 4.747 4.340 -0.000 0.000 0.202 142 R C 2.039 178.366 176.300 0.044 0.000 0.933 142 R CA 1.434 57.566 56.100 0.054 0.000 1.054 142 R CB -0.119 30.208 30.300 0.046 0.000 0.985 142 R HN 2.159 nan 8.270 nan 0.000 0.489 143 G N -0.007 108.816 108.800 0.039 0.000 2.566 143 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.280 143 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.280 143 G C 0.919 175.835 174.900 0.027 0.000 1.225 143 G CA -0.168 44.949 45.100 0.030 0.000 0.966 143 G HN 0.359 nan 8.290 nan 0.000 0.560 144 G N -0.517 108.297 108.800 0.023 0.000 2.422 144 G HA2 0.237 4.197 3.960 -0.000 0.000 0.218 144 G HA3 0.237 4.197 3.960 -0.000 0.000 0.218 144 G C 1.046 175.959 174.900 0.022 0.000 1.146 144 G CA 1.627 46.739 45.100 0.020 0.000 0.769 144 G HN 1.341 nan 8.290 nan 0.000 0.547 145 V N 1.391 121.321 119.914 0.027 0.000 2.740 145 V HA 0.101 4.221 4.120 -0.000 0.000 0.303 145 V C 0.313 176.422 176.094 0.024 0.000 1.054 145 V CA -0.678 61.638 62.300 0.028 0.000 1.106 145 V CB 1.459 33.303 31.823 0.036 0.000 0.957 145 V HN 0.228 nan 8.190 nan 0.000 0.486 146 E N 5.167 125.378 120.200 0.018 0.000 2.417 146 E HA 0.148 4.498 4.350 -0.000 0.000 0.261 146 E C -2.232 174.372 176.600 0.007 0.000 1.000 146 E CA -1.774 54.632 56.400 0.010 0.000 0.919 146 E CB 0.496 30.199 29.700 0.005 0.000 0.955 146 E HN 0.442 nan 8.360 nan 0.000 0.455 147 P HA -0.062 nan 4.420 nan 0.000 0.264 147 P C 0.080 177.354 177.300 -0.042 0.000 1.193 147 P CA -0.068 63.021 63.100 -0.018 0.000 0.763 147 P CB 0.320 32.005 31.700 -0.026 0.000 0.810 148 N N 3.228 121.891 118.700 -0.061 0.000 2.411 148 N HA -0.082 4.658 4.740 -0.000 0.000 0.265 148 N C 0.732 176.156 175.510 -0.143 0.000 1.266 148 N CA 0.572 53.563 53.050 -0.098 0.000 0.889 148 N CB 0.396 38.808 38.487 -0.125 0.000 1.069 148 N HN 0.275 nan 8.380 nan 0.000 0.476 149 K N 2.285 122.618 120.400 -0.111 0.000 2.296 149 K HA -0.034 4.286 4.320 -0.000 0.000 0.200 149 K C 0.535 177.046 176.600 -0.147 0.000 1.048 149 K CA 0.638 56.859 56.287 -0.110 0.000 0.966 149 K CB 0.356 32.813 32.500 -0.071 0.000 0.754 149 K HN 0.506 nan 8.250 nan 0.000 0.466 150 D N 0.548 120.849 120.400 -0.164 0.000 2.144 150 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 150 D C 1.889 177.994 176.300 -0.325 0.000 0.978 150 D CA 0.861 54.745 54.000 -0.194 0.000 0.833 150 D CB -0.075 40.636 40.800 -0.148 0.000 0.961 150 D HN -0.081 nan 8.370 nan 0.000 0.470 151 V N 1.449 121.084 119.914 -0.466 0.000 2.307 151 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 151 V C 2.513 178.249 176.094 -0.598 0.000 1.045 151 V CA 1.665 63.512 62.300 -0.755 0.000 1.024 151 V CB -0.819 30.366 31.823 -1.064 0.000 0.651 151 V HN 0.173 nan 8.190 nan 0.000 0.449 152 A N -0.104 122.507 122.820 -0.347 0.000 2.076 152 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 152 A C 2.133 179.630 177.584 -0.145 0.000 1.160 152 A CA 1.789 53.713 52.037 -0.189 0.000 0.653 152 A CB -0.475 18.459 19.000 -0.110 0.000 0.801 152 A HN 0.604 nan 8.150 nan 0.000 0.455 153 A N -0.913 121.796 122.820 -0.185 0.000 2.275 153 A HA 0.487 4.806 4.320 -0.000 0.000 0.212 153 A C 0.650 178.156 177.584 -0.130 0.000 1.201 153 A CA -0.396 51.570 52.037 -0.119 0.000 0.843 153 A CB -0.307 18.630 19.000 -0.105 0.000 0.873 153 A HN 0.395 nan 8.150 nan 0.000 0.492 154 L N 2.430 123.497 121.223 -0.261 0.000 2.462 154 L HA 0.173 4.513 4.340 -0.000 0.000 0.272 154 L C -1.688 175.210 176.870 0.046 0.000 1.166 154 L CA -1.396 53.312 54.840 -0.220 0.000 0.880 154 L CB 0.403 42.135 42.059 -0.545 0.000 1.142 154 L HN 0.222 nan 8.230 nan 0.000 0.473 155 P HA 0.135 nan 4.420 nan 0.000 0.275 155 P C -0.893 176.674 177.300 0.444 0.000 1.266 155 P CA -0.690 62.553 63.100 0.239 0.000 0.793 155 P CB 0.705 32.482 31.700 0.128 0.000 1.074 156 A N 0.575 123.612 122.820 0.363 0.000 2.484 156 A HA 0.238 4.557 4.320 -0.000 0.000 0.268 156 A C -0.898 176.882 177.584 0.328 0.000 1.114 156 A CA 0.014 52.158 52.037 0.179 0.000 0.780 156 A CB -1.115 17.648 19.000 -0.395 0.000 1.061 156 A HN 0.626 nan 8.150 nan 0.000 0.505 157 W N 2.995 124.398 121.300 0.172 0.000 2.740 157 W HA 0.523 5.183 4.660 -0.000 0.000 0.316 157 W C -0.566 176.030 176.519 0.128 0.000 1.020 157 W CA -0.177 57.240 57.345 0.121 0.000 1.278 157 W CB 1.318 30.846 29.460 0.113 0.000 1.224 157 W HN 0.676 nan 8.180 nan 0.000 0.393 158 S N 4.592 120.160 115.700 -0.220 0.000 2.541 158 S HA 0.826 5.295 4.470 -0.000 0.000 0.280 158 S C -2.079 172.364 174.600 -0.261 0.000 1.112 158 S CA -0.607 57.483 58.200 -0.185 0.000 0.925 158 S CB 1.559 64.740 63.200 -0.031 0.000 1.067 158 S HN 0.564 nan 8.310 nan 0.000 0.479 159 V N 3.593 123.364 119.914 -0.239 0.000 2.876 159 V HA 0.770 4.890 4.120 -0.000 0.000 0.312 159 V C -0.747 175.248 176.094 -0.165 0.000 1.085 159 V CA -0.155 62.027 62.300 -0.196 0.000 0.945 159 V CB 2.369 34.042 31.823 -0.250 0.000 1.017 159 V HN 0.970 nan 8.190 nan 0.000 0.428 160 T N 4.686 119.067 114.554 -0.288 0.000 2.797 160 T HA 0.505 4.855 4.350 -0.000 0.000 0.279 160 T C -1.284 173.173 174.700 -0.405 0.000 0.991 160 T CA -0.020 61.780 62.100 -0.500 0.000 0.979 160 T CB 0.647 68.729 68.868 -1.310 0.000 0.943 160 T HN 0.892 nan 8.240 nan 0.000 0.444 161 H N 2.589 121.383 119.070 -0.461 0.000 2.505 161 H HA 0.578 5.134 4.556 -0.000 0.000 0.338 161 H C -1.123 173.916 175.328 -0.482 0.000 1.057 161 H CA -1.184 54.638 56.048 -0.376 0.000 1.202 161 H CB 0.780 30.402 29.762 -0.234 0.000 1.466 161 H HN 0.380 nan 8.280 nan 0.000 0.499 162 L N 6.323 127.065 121.223 -0.801 0.000 2.302 162 L HA 0.232 4.571 4.340 -0.000 0.000 0.285 162 L C -0.614 175.575 176.870 -1.136 0.000 1.090 162 L CA -0.211 54.133 54.840 -0.827 0.000 0.866 162 L CB -0.528 41.043 42.059 -0.814 0.000 1.244 162 L HN 0.857 nan 8.230 nan 0.000 0.435 163 H N 4.765 123.106 119.070 -1.215 0.000 2.944 163 H HA 0.495 5.051 4.556 -0.000 0.000 0.278 163 H C 1.098 176.045 175.328 -0.636 0.000 1.083 163 H CA 0.796 56.265 56.048 -0.965 0.000 1.479 163 H CB 0.495 29.752 29.762 -0.841 0.000 1.486 163 H HN 0.893 nan 8.280 nan 0.000 0.493 164 G N 2.751 111.269 108.800 -0.470 0.000 2.316 164 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.203 164 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.203 164 G C 0.308 174.365 174.900 -1.404 0.000 0.999 164 G CA -0.211 44.490 45.100 -0.664 0.000 0.649 164 G HN 0.923 nan 8.290 nan 0.000 0.489 165 A N 0.390 122.262 122.820 -1.581 0.000 2.445 165 A HA 0.605 4.925 4.320 -0.000 0.000 0.242 165 A C 0.516 177.694 177.584 -0.678 0.000 1.075 165 A CA 0.937 51.948 52.037 -1.710 0.000 0.777 165 A CB 0.440 18.768 19.000 -1.121 0.000 1.013 165 A HN 0.658 nan 8.150 nan 0.000 0.493 166 Q N 1.226 120.801 119.800 -0.376 0.000 2.465 166 Q HA 0.475 4.815 4.340 -0.000 0.000 0.237 166 Q C -0.569 175.458 176.000 0.045 0.000 1.051 166 Q CA -0.025 55.744 55.803 -0.057 0.000 0.874 166 Q CB 0.588 29.396 28.738 0.116 0.000 1.207 166 Q HN 0.820 nan 8.270 nan 0.000 0.508 167 T N 1.523 116.132 114.554 0.091 0.000 2.840 167 T HA 0.576 4.926 4.350 -0.000 0.000 0.317 167 T C -0.288 174.594 174.700 0.304 0.000 1.401 167 T CA -0.036 62.169 62.100 0.174 0.000 1.028 167 T CB 1.144 70.138 68.868 0.210 0.000 1.317 167 T HN 0.677 nan 8.240 nan 0.000 0.495 168 G N 0.301 109.244 108.800 0.239 0.000 2.699 168 G HA2 0.419 4.379 3.960 -0.000 0.000 0.246 168 G HA3 0.419 4.379 3.960 -0.000 0.000 0.246 168 G C 1.285 176.215 174.900 0.051 0.000 1.219 168 G CA 0.127 45.385 45.100 0.264 0.000 0.866 168 G HN 1.063 nan 8.290 nan 0.000 0.572 169 G N -0.589 107.985 108.800 -0.376 0.000 2.484 169 G HA2 0.070 4.030 3.960 -0.000 0.000 0.218 169 G HA3 0.070 4.030 3.960 -0.000 0.000 0.218 169 G C 1.647 176.378 174.900 -0.281 0.000 1.130 169 G CA 1.197 45.881 45.100 -0.693 0.000 0.784 169 G HN 0.939 nan 8.290 nan 0.000 0.543 170 G N 0.451 109.150 108.800 -0.168 0.000 2.498 170 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 170 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 170 G C 1.490 176.360 174.900 -0.052 0.000 1.119 170 G CA 0.722 45.763 45.100 -0.098 0.000 0.766 170 G HN 0.448 nan 8.290 nan 0.000 0.552 171 N N -0.107 118.574 118.700 -0.031 0.000 2.250 171 N HA 0.011 4.750 4.740 -0.000 0.000 0.190 171 N C 0.902 176.463 175.510 0.084 0.000 1.116 171 N CA 0.278 53.311 53.050 -0.028 0.000 0.881 171 N CB 0.407 38.840 38.487 -0.090 0.000 1.006 171 N HN 0.205 nan 8.380 nan 0.000 0.491 172 D N 0.505 120.973 120.400 0.113 0.000 2.355 172 D HA 0.069 4.709 4.640 -0.000 0.000 0.218 172 D C 0.695 177.127 176.300 0.219 0.000 1.004 172 D CA 0.415 54.558 54.000 0.238 0.000 0.880 172 D CB -0.014 40.953 40.800 0.279 0.000 0.911 172 D HN 0.292 nan 8.370 nan 0.000 0.528 173 G N 0.812 109.670 108.800 0.097 0.000 2.303 173 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.260 173 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.260 173 G C 0.013 174.844 174.900 -0.115 0.000 1.106 173 G CA -0.131 44.966 45.100 -0.004 0.000 0.900 173 G HN 0.372 nan 8.290 nan 0.000 0.495 174 W N 0.283 121.448 121.300 -0.224 0.000 2.513 174 W HA 0.134 4.793 4.660 -0.000 0.000 0.339 174 W C 1.062 177.423 176.519 -0.263 0.000 1.257 174 W CA 0.419 57.610 57.345 -0.257 0.000 1.280 174 W CB 0.324 29.678 29.460 -0.177 0.000 1.214 174 W HN 0.661 nan 8.180 nan 0.000 0.567 175 A N 4.680 126.839 122.820 -1.102 0.000 1.948 175 A HA -0.276 4.043 4.320 -0.000 0.000 0.220 175 A C 1.739 178.997 177.584 -0.543 0.000 1.177 175 A CA 2.081 53.654 52.037 -0.774 0.000 0.636 175 A CB -0.448 18.098 19.000 -0.758 0.000 0.815 175 A HN 0.719 nan 8.150 nan 0.000 0.449 176 D N -0.075 120.007 120.400 -0.529 0.000 2.178 176 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 176 D C 0.673 177.030 176.300 0.095 0.000 0.974 176 D CA 0.919 54.921 54.000 0.003 0.000 0.841 176 D CB -0.550 40.433 40.800 0.305 0.000 0.953 176 D HN 0.628 nan 8.370 nan 0.000 0.478 177 N N 0.643 119.383 118.700 0.068 0.000 2.509 177 N HA 0.216 4.956 4.740 -0.000 0.000 0.239 177 N C -0.032 175.401 175.510 -0.129 0.000 1.215 177 N CA -0.586 52.513 53.050 0.080 0.000 0.882 177 N CB 0.464 39.054 38.487 0.172 0.000 1.189 177 N HN 0.053 nan 8.380 nan 0.000 0.490 178 A N 0.699 123.235 122.820 -0.474 0.000 2.332 178 A HA 0.504 4.824 4.320 -0.000 0.000 0.258 178 A C 0.335 177.615 177.584 -0.506 0.000 1.087 178 A CA -0.443 51.094 52.037 -0.833 0.000 0.802 178 A CB 0.525 18.397 19.000 -1.880 0.000 1.042 178 A HN 0.117 nan 8.150 nan 0.000 0.489 179 V N -0.877 118.854 119.914 -0.305 0.000 2.823 179 V HA 0.903 5.023 4.120 -0.000 0.000 0.312 179 V C 0.390 176.588 176.094 0.174 0.000 1.072 179 V CA -0.059 62.268 62.300 0.045 0.000 0.937 179 V CB 1.191 33.036 31.823 0.036 0.000 1.013 179 V HN 1.341 nan 8.190 nan 0.000 0.430 180 G N 1.285 110.248 108.800 0.272 0.000 2.537 180 G HA2 0.501 4.461 3.960 -0.000 0.000 0.297 180 G HA3 0.501 4.461 3.960 -0.000 0.000 0.297 180 G C -0.588 174.417 174.900 0.175 0.000 1.310 180 G CA -0.932 44.332 45.100 0.274 0.000 1.027 180 G HN 1.011 nan 8.290 nan 0.000 0.505 181 F N 0.635 120.613 119.950 0.046 0.000 2.548 181 F HA 0.292 4.819 4.527 -0.000 0.000 0.403 181 F C 1.441 177.253 175.800 0.020 0.000 1.004 181 F CA 1.654 59.658 58.000 0.006 0.000 1.177 181 F CB 0.221 39.220 39.000 -0.001 0.000 0.974 181 F HN 1.048 nan 8.300 nan 0.000 0.541 182 G N 3.471 111.810 108.800 -0.768 0.000 2.232 182 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.226 182 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.226 182 G C -0.138 174.585 174.900 -0.294 0.000 0.996 182 G CA 0.050 44.710 45.100 -0.734 0.000 0.626 182 G HN 0.655 nan 8.290 nan 0.000 0.509 183 D N 0.790 121.098 120.400 -0.154 0.000 2.268 183 D HA 0.739 5.379 4.640 -0.000 0.000 0.249 183 D C 0.390 176.674 176.300 -0.027 0.000 1.008 183 D CA 0.681 54.646 54.000 -0.059 0.000 0.939 183 D CB 1.706 42.508 40.800 0.002 0.000 1.170 183 D HN 0.736 nan 8.370 nan 0.000 0.468 184 A N 0.666 123.484 122.820 -0.002 0.000 2.380 184 A HA 0.447 4.767 4.320 -0.000 0.000 0.315 184 A C -0.712 176.906 177.584 0.056 0.000 1.101 184 A CA -0.713 51.343 52.037 0.031 0.000 0.771 184 A CB 1.676 20.683 19.000 0.012 0.000 1.287 184 A HN 0.458 nan 8.150 nan 0.000 0.436 185 Q N 2.008 121.877 119.800 0.114 0.000 2.290 185 Q HA 0.594 4.933 4.340 -0.000 0.000 0.259 185 Q C -1.738 174.356 176.000 0.156 0.000 0.941 185 Q CA -0.388 55.494 55.803 0.133 0.000 0.912 185 Q CB 0.769 29.606 28.738 0.166 0.000 1.244 185 Q HN 0.710 nan 8.270 nan 0.000 0.441 186 L N 2.936 124.201 121.223 0.070 0.000 2.272 186 L HA 0.467 4.807 4.340 -0.000 0.000 0.289 186 L C -0.495 176.360 176.870 -0.025 0.000 1.032 186 L CA -0.594 54.247 54.840 0.001 0.000 0.810 186 L CB 1.790 43.830 42.059 -0.032 0.000 1.205 186 L HN 0.597 nan 8.230 nan 0.000 0.422 187 S N 2.246 117.883 115.700 -0.105 0.000 2.519 187 S HA 0.298 4.768 4.470 -0.000 0.000 0.309 187 S C -0.611 173.685 174.600 -0.507 0.000 1.100 187 S CA -0.647 57.372 58.200 -0.300 0.000 1.059 187 S CB 1.978 65.017 63.200 -0.268 0.000 1.008 187 S HN 0.577 nan 8.310 nan 0.000 0.478 188 E N 2.494 122.419 120.200 -0.458 0.000 2.156 188 E HA 0.321 4.670 4.350 -0.000 0.000 0.279 188 E C -1.607 174.732 176.600 -0.435 0.000 0.965 188 E CA -0.549 55.638 56.400 -0.356 0.000 0.789 188 E CB 0.595 30.212 29.700 -0.138 0.000 1.098 188 E HN 0.577 nan 8.360 nan 0.000 0.397 189 Y N 5.266 125.618 120.300 0.087 0.000 2.478 189 Y HA 0.275 4.825 4.550 -0.000 0.000 0.329 189 Y C -1.903 174.084 175.900 0.145 0.000 0.967 189 Y CA -2.660 55.515 58.100 0.124 0.000 1.255 189 Y CB 1.426 39.995 38.460 0.182 0.000 1.103 189 Y HN 0.587 nan 8.280 nan 0.000 0.497 190 P HA -0.190 nan 4.420 nan 0.000 0.220 190 P C -0.409 177.031 177.300 0.235 0.000 1.144 190 P CA 1.512 64.726 63.100 0.191 0.000 0.800 190 P CB 0.068 31.855 31.700 0.146 0.000 0.772 191 N N -2.298 116.605 118.700 0.339 0.000 2.735 191 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 191 N C -0.443 175.221 175.510 0.256 0.000 1.083 191 N CA 0.372 53.638 53.050 0.360 0.000 0.703 191 N CB -1.625 37.038 38.487 0.293 0.000 1.005 191 N HN 0.219 nan 8.380 nan 0.000 0.550 192 D N 0.614 121.162 120.400 0.248 0.000 2.631 192 D HA 0.099 4.739 4.640 -0.000 0.000 0.227 192 D C -0.642 175.792 176.300 0.224 0.000 1.146 192 D CA 0.351 54.456 54.000 0.175 0.000 1.009 192 D CB -0.057 40.816 40.800 0.122 0.000 1.057 192 D HN 0.389 nan 8.370 nan 0.000 0.509 193 H N 1.108 120.226 119.070 0.081 0.000 3.064 193 H HA 0.154 4.709 4.556 -0.000 0.000 0.352 193 H C -0.823 174.484 175.328 -0.034 0.000 1.260 193 H CA -0.594 55.490 56.048 0.060 0.000 1.160 193 H CB 1.658 31.548 29.762 0.212 0.000 1.879 193 H HN 0.337 nan 8.280 nan 0.000 0.544 194 Q N 1.995 121.580 119.800 -0.358 0.000 2.443 194 Q HA 0.531 4.871 4.340 -0.000 0.000 0.232 194 Q C -0.327 175.662 176.000 -0.019 0.000 1.026 194 Q CA -0.442 55.262 55.803 -0.165 0.000 0.924 194 Q CB 0.843 29.442 28.738 -0.230 0.000 1.256 194 Q HN 0.556 nan 8.270 nan 0.000 0.519 195 A N 1.196 123.988 122.820 -0.047 0.000 2.565 195 A HA 0.341 4.661 4.320 -0.000 0.000 0.237 195 A C 0.176 177.722 177.584 -0.063 0.000 1.053 195 A CA 0.987 52.983 52.037 -0.068 0.000 0.755 195 A CB 0.156 19.125 19.000 -0.051 0.000 0.980 195 A HN 0.772 nan 8.150 nan 0.000 0.506 196 T N 0.278 114.738 114.554 -0.156 0.000 2.663 196 T HA 0.359 4.709 4.350 -0.000 0.000 0.305 196 T C -1.513 173.079 174.700 -0.181 0.000 1.660 196 T CA -0.482 61.535 62.100 -0.138 0.000 0.976 196 T CB 0.958 69.771 68.868 -0.092 0.000 1.705 196 T HN 0.868 nan 8.240 nan 0.000 0.494 197 Q N 1.618 121.380 119.800 -0.063 0.000 2.368 197 Q HA 0.415 4.755 4.340 -0.000 0.000 0.256 197 Q C -1.088 175.028 176.000 0.193 0.000 0.980 197 Q CA -0.691 55.135 55.803 0.038 0.000 0.887 197 Q CB 0.507 29.284 28.738 0.066 0.000 1.221 197 Q HN 0.482 nan 8.270 nan 0.000 0.458 198 W N 4.068 125.475 121.300 0.178 0.000 2.367 198 W HA 0.514 5.173 4.660 -0.001 0.000 0.369 198 W C -0.153 176.563 176.519 0.328 0.000 1.276 198 W CA -0.910 56.539 57.345 0.173 0.000 1.415 198 W CB 0.811 30.265 29.460 -0.009 0.000 1.306 198 W HN 0.626 nan 8.180 nan 0.000 0.669 199 W N 1.736 123.166 121.300 0.216 0.000 3.118 199 W HA 0.534 5.194 4.660 -0.000 0.000 0.328 199 W C -2.200 174.383 176.519 0.105 0.000 1.239 199 W CA -2.149 55.284 57.345 0.148 0.000 1.176 199 W CB -0.147 29.343 29.460 0.050 0.000 1.433 199 W HN 0.548 nan 8.180 nan 0.000 0.562 200 Y N 0.541 120.820 120.300 -0.036 0.000 2.499 200 Y HA 0.797 5.347 4.550 -0.000 0.000 0.347 200 Y C -0.824 174.943 175.900 -0.221 0.000 0.987 200 Y CA -1.217 56.631 58.100 -0.419 0.000 1.044 200 Y CB 1.694 39.918 38.460 -0.393 0.000 1.245 200 Y HN 0.730 nan 8.280 nan 0.000 0.461 201 H N -1.276 117.660 119.070 -0.223 0.000 3.003 201 H HA 0.323 4.878 4.556 -0.000 0.000 0.327 201 H C -1.681 173.665 175.328 0.031 0.000 1.353 201 H CA -1.185 54.846 56.048 -0.028 0.000 1.142 201 H CB 1.076 30.725 29.762 -0.189 0.000 1.864 201 H HN 0.821 nan 8.280 nan 0.000 0.529 202 D N -0.363 120.196 120.400 0.266 0.000 2.400 202 D HA -0.049 4.591 4.640 -0.000 0.000 0.238 202 D C -0.261 176.137 176.300 0.163 0.000 1.157 202 D CA 0.440 54.530 54.000 0.149 0.000 0.889 202 D CB 0.498 41.378 40.800 0.133 0.000 1.199 202 D HN 0.773 nan 8.370 nan 0.000 0.436 203 H N 1.074 120.105 119.070 -0.065 0.000 3.109 203 H HA 0.240 4.796 4.556 -0.000 0.000 0.248 203 H C -0.758 174.419 175.328 -0.251 0.000 1.177 203 H CA -0.162 55.809 56.048 -0.130 0.000 0.977 203 H CB 0.129 29.801 29.762 -0.151 0.000 2.165 203 H HN 0.451 nan 8.280 nan 0.000 0.693 204 A N 1.594 124.356 122.820 -0.097 0.000 2.565 204 A HA 0.143 4.463 4.320 -0.000 0.000 0.237 204 A C 0.787 178.290 177.584 -0.135 0.000 1.053 204 A CA -0.157 51.726 52.037 -0.258 0.000 0.755 204 A CB -0.201 18.655 19.000 -0.240 0.000 0.980 204 A HN 0.444 nan 8.150 nan 0.000 0.506 205 M N 3.410 122.930 119.600 -0.133 0.000 2.269 205 M HA 0.092 4.572 4.480 -0.000 0.000 0.350 205 M C 0.808 177.137 176.300 0.048 0.000 1.429 205 M CA 0.950 56.200 55.300 -0.083 0.000 1.063 205 M CB -0.811 31.764 32.600 -0.042 0.000 1.841 205 M HN 0.836 nan 8.290 nan 0.000 0.455 206 N N 2.708 121.353 118.700 -0.091 0.000 2.951 206 N HA -0.255 4.485 4.740 -0.000 0.000 0.218 206 N C 0.432 175.910 175.510 -0.053 0.000 0.858 206 N CA 2.010 55.018 53.050 -0.069 0.000 1.050 206 N CB -1.658 36.836 38.487 0.011 0.000 1.012 206 N HN 0.878 nan 8.380 nan 0.000 0.611 207 I N -3.241 117.345 120.570 0.027 0.000 4.009 207 I HA 0.282 4.452 4.170 -0.000 0.000 0.331 207 I C 1.165 177.275 176.117 -0.011 0.000 1.462 207 I CA -0.154 61.212 61.300 0.110 0.000 1.117 207 I CB 0.305 38.507 38.000 0.338 0.000 1.091 207 I HN -0.242 nan 8.210 nan 0.000 0.410 208 T N 2.402 116.866 114.554 -0.149 0.000 2.803 208 T HA -0.164 4.185 4.350 -0.000 0.000 0.269 208 T C 2.036 176.590 174.700 -0.244 0.000 1.052 208 T CA 2.064 64.059 62.100 -0.174 0.000 1.136 208 T CB -0.347 68.354 68.868 -0.279 0.000 0.864 208 T HN 0.582 nan 8.240 nan 0.000 0.467 209 R N -0.121 120.103 120.500 -0.461 0.000 2.189 209 R HA -0.077 4.263 4.340 -0.000 0.000 0.223 209 R C 1.708 177.657 176.300 -0.585 0.000 1.092 209 R CA 1.084 56.825 56.100 -0.599 0.000 0.989 209 R CB -0.371 29.417 30.300 -0.853 0.000 0.876 209 R HN 0.453 nan 8.270 nan 0.000 0.457 210 W N 0.997 122.188 121.300 -0.182 0.000 2.630 210 W HA 0.203 4.862 4.660 -0.000 0.000 0.275 210 W C 1.472 177.976 176.519 -0.024 0.000 1.192 210 W CA -0.374 56.895 57.345 -0.127 0.000 1.410 210 W CB -0.754 28.671 29.460 -0.058 0.000 1.075 210 W HN 0.106 nan 8.180 nan 0.000 0.581 211 N N 0.947 119.801 118.700 0.256 0.000 2.149 211 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 211 N C 1.758 177.343 175.510 0.125 0.000 1.019 211 N CA 1.531 54.714 53.050 0.221 0.000 0.857 211 N CB -0.812 37.830 38.487 0.258 0.000 0.997 211 N HN -0.103 nan 8.380 nan 0.000 0.426 212 V N 1.051 121.005 119.914 0.066 0.000 2.407 212 V HA -0.091 4.029 4.120 -0.000 0.000 0.245 212 V C 2.319 178.434 176.094 0.036 0.000 1.041 212 V CA 1.101 63.448 62.300 0.079 0.000 1.040 212 V CB -0.450 31.371 31.823 -0.004 0.000 0.671 212 V HN 0.270 nan 8.190 nan 0.000 0.455 213 M N 0.685 120.252 119.600 -0.055 0.000 2.144 213 M HA -0.223 4.256 4.480 -0.000 0.000 0.260 213 M C 1.987 178.250 176.300 -0.062 0.000 1.067 213 M CA 2.286 57.528 55.300 -0.096 0.000 1.095 213 M CB -0.304 32.218 32.600 -0.130 0.000 1.365 213 M HN 0.329 nan 8.290 nan 0.000 0.406 214 A N -0.823 121.941 122.820 -0.092 0.000 2.178 214 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 214 A C 1.748 179.297 177.584 -0.059 0.000 1.157 214 A CA 1.315 53.216 52.037 -0.227 0.000 0.689 214 A CB -0.834 17.874 19.000 -0.488 0.000 0.787 214 A HN 0.857 nan 8.150 nan 0.000 0.465 215 G N -2.149 106.724 108.800 0.121 0.000 2.227 215 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.168 215 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.168 215 G C 0.147 175.174 174.900 0.213 0.000 1.006 215 G CA -0.107 45.121 45.100 0.214 0.000 0.684 215 G HN 0.347 nan 8.290 nan 0.000 0.489 216 L N 2.117 123.470 121.223 0.216 0.000 2.384 216 L HA 0.518 4.857 4.340 -0.000 0.000 0.258 216 L C 0.211 177.400 176.870 0.531 0.000 1.266 216 L CA -0.589 54.325 54.840 0.122 0.000 1.162 216 L CB -0.869 41.167 42.059 -0.038 0.000 1.375 216 L HN 0.443 nan 8.230 nan 0.000 0.420 217 Y N -0.801 119.691 120.300 0.319 0.000 2.552 217 Y HA 0.886 5.436 4.550 -0.000 0.000 0.337 217 Y C -0.207 175.689 175.900 -0.007 0.000 1.094 217 Y CA -1.065 57.172 58.100 0.229 0.000 1.028 217 Y CB 1.559 40.216 38.460 0.328 0.000 1.321 217 Y HN 0.125 nan 8.280 nan 0.000 0.456 218 G N 0.414 108.927 108.800 -0.478 0.000 2.649 218 G HA2 0.511 4.471 3.960 -0.000 0.000 0.290 218 G HA3 0.511 4.471 3.960 -0.000 0.000 0.290 218 G C -1.870 172.806 174.900 -0.374 0.000 1.426 218 G CA -0.775 43.922 45.100 -0.673 0.000 0.794 218 G HN 0.758 nan 8.290 nan 0.000 0.483 219 T N -1.411 113.182 114.554 0.064 0.000 2.942 219 T HA 0.685 5.035 4.350 -0.000 0.000 0.289 219 T C -1.942 173.065 174.700 0.511 0.000 1.044 219 T CA -0.475 61.817 62.100 0.321 0.000 1.023 219 T CB 1.422 70.422 68.868 0.221 0.000 1.123 219 T HN 0.742 nan 8.240 nan 0.000 0.512 220 Y N 2.739 123.232 120.300 0.321 0.000 2.330 220 Y HA 0.589 5.139 4.550 -0.000 0.000 0.324 220 Y C -1.922 174.050 175.900 0.120 0.000 1.093 220 Y CA -1.031 57.224 58.100 0.259 0.000 1.103 220 Y CB 0.845 39.509 38.460 0.339 0.000 1.183 220 Y HN 0.560 nan 8.280 nan 0.000 0.433 221 L N 6.655 127.878 121.223 -0.000 0.000 2.329 221 L HA 0.812 5.151 4.340 -0.000 0.000 0.279 221 L C -0.930 175.831 176.870 -0.182 0.000 1.014 221 L CA -1.388 53.417 54.840 -0.058 0.000 0.814 221 L CB 1.862 43.894 42.059 -0.045 0.000 1.257 221 L HN 0.340 nan 8.230 nan 0.000 0.424 222 V N 2.876 122.664 119.914 -0.211 0.000 2.448 222 V HA 0.557 4.677 4.120 -0.000 0.000 0.295 222 V C -0.129 175.877 176.094 -0.146 0.000 1.025 222 V CA -0.792 61.377 62.300 -0.218 0.000 0.859 222 V CB 1.666 33.266 31.823 -0.371 0.000 0.988 222 V HN 0.644 nan 8.190 nan 0.000 0.431 223 R N 3.286 123.723 120.500 -0.104 0.000 2.668 223 R HA 0.744 5.084 4.340 -0.000 0.000 0.279 223 R C -0.897 175.370 176.300 -0.054 0.000 0.976 223 R CA -0.679 55.378 56.100 -0.071 0.000 0.978 223 R CB 1.984 32.247 30.300 -0.061 0.000 1.133 223 R HN 0.992 nan 8.270 nan 0.000 0.484 224 D N -1.460 118.915 120.400 -0.041 0.000 2.664 224 D HA 0.182 4.822 4.640 -0.000 0.000 0.292 224 D C -0.260 176.026 176.300 -0.023 0.000 1.214 224 D CA -0.575 53.406 54.000 -0.030 0.000 0.932 224 D CB 0.423 41.204 40.800 -0.031 0.000 1.420 224 D HN 0.125 nan 8.370 nan 0.000 0.471 225 D N -0.336 120.053 120.400 -0.018 0.000 2.144 225 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 225 D C 1.407 177.700 176.300 -0.012 0.000 0.978 225 D CA 1.046 55.038 54.000 -0.014 0.000 0.833 225 D CB 0.107 40.900 40.800 -0.012 0.000 0.961 225 D HN 0.668 nan 8.370 nan 0.000 0.470 226 E N 0.839 121.033 120.200 -0.011 0.000 2.051 226 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 226 E C 1.924 178.521 176.600 -0.005 0.000 0.991 226 E CA 0.873 57.270 56.400 -0.005 0.000 0.799 226 E CB 0.110 29.811 29.700 0.002 0.000 0.748 226 E HN 0.242 nan 8.360 nan 0.000 0.449 227 E N 0.088 120.283 120.200 -0.008 0.000 2.072 227 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 227 E C 1.554 178.147 176.600 -0.011 0.000 0.985 227 E CA 1.388 57.783 56.400 -0.009 0.000 0.801 227 E CB 0.051 29.742 29.700 -0.015 0.000 0.750 227 E HN 0.265 nan 8.360 nan 0.000 0.452 228 D N 0.416 120.807 120.400 -0.015 0.000 2.123 228 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 228 D C 1.731 178.025 176.300 -0.010 0.000 0.992 228 D CA 1.331 55.322 54.000 -0.015 0.000 0.833 228 D CB -0.365 40.424 40.800 -0.017 0.000 0.954 228 D HN 0.274 nan 8.370 nan 0.000 0.455 229 A N 0.212 123.026 122.820 -0.010 0.000 2.178 229 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 229 A C 2.145 179.723 177.584 -0.011 0.000 1.157 229 A CA 0.587 52.617 52.037 -0.012 0.000 0.689 229 A CB -0.606 18.387 19.000 -0.013 0.000 0.787 229 A HN 0.238 nan 8.150 nan 0.000 0.465 230 L N -1.081 120.141 121.223 -0.002 0.000 2.554 230 L HA 0.127 4.467 4.340 -0.000 0.000 0.226 230 L C 1.616 178.519 176.870 0.055 0.000 1.137 230 L CA 0.402 55.249 54.840 0.012 0.000 0.863 230 L CB -0.341 41.730 42.059 0.021 0.000 0.985 230 L HN 0.526 nan 8.230 nan 0.000 0.451 231 G N 1.596 110.416 108.800 0.034 0.000 2.395 231 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.300 231 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.300 231 G C 0.187 175.127 174.900 0.067 0.000 0.998 231 G CA 0.020 45.147 45.100 0.045 0.000 1.046 231 G HN 0.258 nan 8.290 nan 0.000 0.513 232 L N -0.032 121.187 121.223 -0.007 0.000 2.467 232 L HA 0.303 4.643 4.340 -0.000 0.000 0.270 232 L C -1.248 175.477 176.870 -0.242 0.000 1.205 232 L CA -1.942 52.797 54.840 -0.168 0.000 0.828 232 L CB 0.051 42.038 42.059 -0.120 0.000 1.101 232 L HN 0.009 nan 8.230 nan 0.000 0.479 233 P HA 0.015 nan 4.420 nan 0.000 0.264 233 P C -0.698 176.501 177.300 -0.167 0.000 1.183 233 P CA 0.137 63.068 63.100 -0.281 0.000 0.763 233 P CB 0.647 32.168 31.700 -0.298 0.000 0.807 234 S N 0.905 116.524 115.700 -0.134 0.000 2.776 234 S HA 0.802 5.272 4.470 -0.000 0.000 0.292 234 S C 0.466 175.023 174.600 -0.072 0.000 1.187 234 S CA -0.096 58.054 58.200 -0.083 0.000 0.834 234 S CB 1.221 64.383 63.200 -0.063 0.000 1.199 234 S HN 0.795 nan 8.310 nan 0.000 0.514 235 G N 1.445 110.220 108.800 -0.042 0.000 2.583 235 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.292 235 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.292 235 G C 0.306 175.195 174.900 -0.018 0.000 1.203 235 G CA 0.925 46.008 45.100 -0.027 0.000 0.987 235 G HN 0.840 nan 8.290 nan 0.000 0.554 236 D N 0.750 121.140 120.400 -0.016 0.000 2.239 236 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 236 D C 2.449 178.752 176.300 0.006 0.000 0.993 236 D CA 1.383 55.391 54.000 0.013 0.000 0.874 236 D CB -0.081 40.724 40.800 0.008 0.000 0.922 236 D HN 0.482 nan 8.370 nan 0.000 0.464 237 R N 0.046 120.469 120.500 -0.127 0.000 2.393 237 R HA 0.155 4.495 4.340 -0.000 0.000 0.244 237 R C 0.285 176.525 176.300 -0.100 0.000 0.920 237 R CA -0.108 55.781 56.100 -0.352 0.000 1.076 237 R CB 0.722 30.655 30.300 -0.612 0.000 1.119 237 R HN 0.175 nan 8.270 nan 0.000 0.524 238 E N 1.675 121.875 120.200 0.000 0.000 2.129 238 E HA 0.314 4.664 4.350 -0.000 0.000 0.268 238 E C -0.999 175.663 176.600 0.104 0.000 0.900 238 E CA -0.374 56.056 56.400 0.051 0.000 0.755 238 E CB 0.888 30.593 29.700 0.008 0.000 1.117 238 E HN 0.064 nan 8.360 nan 0.000 0.410 239 I N 6.426 127.089 120.570 0.154 0.000 2.410 239 I HA 0.334 4.504 4.170 -0.000 0.000 0.286 239 I C -2.324 173.864 176.117 0.120 0.000 1.009 239 I CA -2.631 58.760 61.300 0.151 0.000 1.111 239 I CB 1.805 39.934 38.000 0.216 0.000 1.262 239 I HN 0.385 nan 8.210 nan 0.000 0.443 240 P HA 0.303 nan 4.420 nan 0.000 0.276 240 P C -1.002 176.341 177.300 0.071 0.000 1.230 240 P CA -0.152 62.994 63.100 0.077 0.000 0.776 240 P CB 0.662 32.404 31.700 0.069 0.000 0.888 241 L N 3.979 125.239 121.223 0.063 0.000 2.377 241 L HA 0.370 4.710 4.340 -0.000 0.000 0.270 241 L C -0.589 176.287 176.870 0.009 0.000 0.991 241 L CA -0.672 54.193 54.840 0.042 0.000 0.851 241 L CB 1.036 43.128 42.059 0.056 0.000 1.218 241 L HN 0.156 nan 8.230 nan 0.000 0.420 242 L N 5.510 126.747 121.223 0.024 0.000 2.270 242 L HA 0.446 4.786 4.340 -0.000 0.000 0.286 242 L C 0.240 177.117 176.870 0.012 0.000 1.059 242 L CA -0.057 54.800 54.840 0.029 0.000 0.839 242 L CB 0.628 42.792 42.059 0.175 0.000 1.221 242 L HN 0.460 nan 8.230 nan 0.000 0.431 243 I N 0.486 120.990 120.570 -0.110 0.000 2.499 243 I HA 0.952 5.122 4.170 -0.000 0.000 0.296 243 I C -0.058 175.959 176.117 -0.166 0.000 0.992 243 I CA -0.488 60.707 61.300 -0.175 0.000 1.297 243 I CB 1.728 39.498 38.000 -0.384 0.000 1.410 243 I HN 0.604 nan 8.210 nan 0.000 0.507 244 A N 4.268 127.041 122.820 -0.079 0.000 2.547 244 A HA 0.440 4.759 4.320 -0.000 0.000 0.298 244 A C -1.327 176.350 177.584 0.154 0.000 1.062 244 A CA -0.784 51.255 52.037 0.003 0.000 0.748 244 A CB 1.155 20.044 19.000 -0.186 0.000 1.288 244 A HN 0.880 nan 8.150 nan 0.000 0.396 245 D N 1.745 122.323 120.400 0.297 0.000 2.283 245 D HA 0.653 5.293 4.640 -0.000 0.000 0.248 245 D C -0.297 176.209 176.300 0.342 0.000 1.072 245 D CA -0.265 53.937 54.000 0.336 0.000 0.929 245 D CB 0.894 41.878 40.800 0.308 0.000 1.182 245 D HN 0.337 nan 8.370 nan 0.000 0.433 246 R N 1.228 121.936 120.500 0.347 0.000 2.725 246 R HA 0.458 4.798 4.340 -0.000 0.000 0.277 246 R C -0.634 175.961 176.300 0.492 0.000 0.987 246 R CA -0.835 55.481 56.100 0.359 0.000 0.901 246 R CB 1.454 31.860 30.300 0.177 0.000 1.207 246 R HN 0.549 nan 8.270 nan 0.000 0.463 247 N N 1.049 120.085 118.700 0.561 0.000 2.432 247 N HA 0.621 5.361 4.740 -0.000 0.000 0.292 247 N C -0.988 174.704 175.510 0.304 0.000 1.193 247 N CA -0.503 52.811 53.050 0.440 0.000 0.878 247 N CB 1.333 40.053 38.487 0.388 0.000 1.252 247 N HN 0.387 nan 8.380 nan 0.000 0.520 248 L N 0.209 121.607 121.223 0.292 0.000 2.350 248 L HA 0.442 4.782 4.340 -0.000 0.000 0.260 248 L C -0.157 176.788 176.870 0.125 0.000 1.015 248 L CA -0.990 53.932 54.840 0.137 0.000 0.821 248 L CB 1.899 43.965 42.059 0.011 0.000 1.370 248 L HN 0.396 nan 8.230 nan 0.000 0.416 249 D N 0.424 120.867 120.400 0.072 0.000 2.348 249 D HA 0.475 5.115 4.640 -0.000 0.000 0.249 249 D C -0.646 175.685 176.300 0.050 0.000 1.110 249 D CA 0.107 54.145 54.000 0.063 0.000 0.967 249 D CB 1.764 42.591 40.800 0.045 0.000 1.139 249 D HN 0.633 nan 8.370 nan 0.000 0.466 250 T N -1.114 113.469 114.554 0.049 0.000 2.916 250 T HA 0.452 4.802 4.350 -0.000 0.000 0.292 250 T C -0.209 174.510 174.700 0.032 0.000 1.055 250 T CA -1.017 61.108 62.100 0.041 0.000 1.009 250 T CB 1.694 70.591 68.868 0.049 0.000 1.118 250 T HN 0.087 nan 8.240 nan 0.000 0.497 251 D N 0.739 121.155 120.400 0.026 0.000 2.414 251 D HA 0.180 4.820 4.640 -0.000 0.000 0.251 251 D C 1.574 177.887 176.300 0.022 0.000 1.252 251 D CA -0.607 53.406 54.000 0.022 0.000 0.999 251 D CB 0.641 41.452 40.800 0.017 0.000 1.093 251 D HN 0.717 nan 8.370 nan 0.000 0.515 252 E N 0.200 120.411 120.200 0.018 0.000 2.130 252 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 252 E C 0.907 177.517 176.600 0.017 0.000 0.998 252 E CA 1.143 57.553 56.400 0.017 0.000 0.806 252 E CB -0.066 29.642 29.700 0.014 0.000 0.738 252 E HN 0.442 nan 8.360 nan 0.000 0.459 253 D N -0.463 119.947 120.400 0.016 0.000 2.336 253 D HA 0.013 4.653 4.640 -0.000 0.000 0.229 253 D C 1.218 177.530 176.300 0.021 0.000 1.061 253 D CA 0.726 54.736 54.000 0.016 0.000 0.875 253 D CB 0.050 40.858 40.800 0.014 0.000 0.904 253 D HN 0.236 nan 8.370 nan 0.000 0.525 254 G N 0.316 109.131 108.800 0.024 0.000 2.148 254 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 254 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 254 G C 0.259 175.179 174.900 0.033 0.000 0.981 254 G CA -0.204 44.915 45.100 0.032 0.000 0.670 254 G HN 0.364 nan 8.290 nan 0.000 0.528 255 R N -0.162 120.353 120.500 0.024 0.000 2.590 255 R HA 0.330 4.670 4.340 -0.000 0.000 0.274 255 R C 1.074 177.383 176.300 0.015 0.000 1.061 255 R CA -0.363 55.748 56.100 0.017 0.000 1.081 255 R CB 0.349 30.655 30.300 0.011 0.000 0.984 255 R HN 0.349 nan 8.270 nan 0.000 0.448 256 L N 3.681 124.906 121.223 0.002 0.000 2.455 256 L HA -0.063 4.277 4.340 -0.000 0.000 0.272 256 L C 1.330 178.188 176.870 -0.020 0.000 1.174 256 L CA 0.261 55.091 54.840 -0.018 0.000 0.869 256 L CB 0.195 42.206 42.059 -0.080 0.000 1.130 256 L HN 0.696 nan 8.230 nan 0.000 0.474 257 N N 0.891 119.586 118.700 -0.008 0.000 2.170 257 N HA 0.151 4.891 4.740 -0.000 0.000 0.222 257 N C 0.847 176.365 175.510 0.012 0.000 1.218 257 N CA 0.278 53.331 53.050 0.006 0.000 0.889 257 N CB 1.164 39.662 38.487 0.020 0.000 1.083 257 N HN 0.730 nan 8.380 nan 0.000 0.520 258 G N 0.394 109.185 108.800 -0.016 0.000 2.176 258 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.253 258 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.253 258 G C -0.178 174.720 174.900 -0.003 0.000 0.979 258 G CA -0.049 45.043 45.100 -0.014 0.000 0.641 258 G HN 0.435 nan 8.290 nan 0.000 0.530 259 R N 0.215 120.718 120.500 0.005 0.000 2.340 259 R HA 0.489 4.829 4.340 -0.000 0.000 0.300 259 R C 0.673 176.962 176.300 -0.018 0.000 1.069 259 R CA -0.564 55.530 56.100 -0.011 0.000 0.984 259 R CB 0.749 31.051 30.300 0.003 0.000 1.003 259 R HN 0.281 nan 8.270 nan 0.000 0.459 260 L N 4.076 125.266 121.223 -0.054 0.000 2.499 260 L HA 0.059 4.399 4.340 -0.000 0.000 0.273 260 L C -0.102 176.768 176.870 0.000 0.000 1.195 260 L CA 0.083 54.899 54.840 -0.040 0.000 0.882 260 L CB 0.036 42.034 42.059 -0.102 0.000 1.133 260 L HN 0.372 nan 8.230 nan 0.000 0.483 261 L N 4.047 125.308 121.223 0.063 0.000 2.404 261 L HA 0.314 4.653 4.340 -0.000 0.000 0.272 261 L C -0.377 176.602 176.870 0.183 0.000 0.980 261 L CA -0.190 54.720 54.840 0.117 0.000 0.836 261 L CB 1.185 43.322 42.059 0.130 0.000 1.238 261 L HN 0.471 nan 8.230 nan 0.000 0.408 262 H N 5.638 124.765 119.070 0.095 0.000 2.908 262 H HA 0.234 4.790 4.556 -0.000 0.000 0.269 262 H C -1.032 174.482 175.328 0.310 0.000 1.303 262 H CA -0.225 55.898 56.048 0.126 0.000 1.341 262 H CB 0.585 30.484 29.762 0.229 0.000 1.519 262 H HN 0.647 nan 8.280 nan 0.000 0.505 263 K N 4.843 125.411 120.400 0.280 0.000 2.316 263 K HA 0.193 4.513 4.320 -0.000 0.000 0.267 263 K C -0.574 176.084 176.600 0.097 0.000 1.025 263 K CA -0.547 55.852 56.287 0.185 0.000 0.896 263 K CB 0.700 33.291 32.500 0.152 0.000 1.124 263 K HN 0.626 nan 8.250 nan 0.000 0.451 264 T N -0.744 113.872 114.554 0.103 0.000 2.948 264 T HA 0.500 4.850 4.350 -0.000 0.000 0.285 264 T C -0.275 174.474 174.700 0.083 0.000 1.019 264 T CA -0.803 61.345 62.100 0.079 0.000 1.013 264 T CB 1.645 70.593 68.868 0.133 0.000 1.117 264 T HN 0.160 nan 8.240 nan 0.000 0.533 265 V N 1.741 121.701 119.914 0.077 0.000 2.409 265 V HA 0.395 4.515 4.120 -0.000 0.000 0.291 265 V C 0.004 176.138 176.094 0.068 0.000 1.020 265 V CA -0.978 61.357 62.300 0.058 0.000 0.848 265 V CB 1.240 33.082 31.823 0.032 0.000 0.990 265 V HN 0.823 nan 8.190 nan 0.000 0.430 266 I N 5.367 125.973 120.570 0.060 0.000 2.452 266 I HA 0.106 4.276 4.170 -0.000 0.000 0.287 266 I C 1.115 177.256 176.117 0.040 0.000 1.079 266 I CA 0.116 61.450 61.300 0.058 0.000 1.387 266 I CB 1.180 39.212 38.000 0.053 0.000 1.404 266 I HN 0.615 nan 8.210 nan 0.000 0.522 267 V N 2.033 121.971 119.914 0.040 0.000 3.643 267 V HA 0.223 4.343 4.120 -0.000 0.000 0.280 267 V C 0.442 176.547 176.094 0.018 0.000 1.351 267 V CA 0.197 62.512 62.300 0.026 0.000 1.073 267 V CB -0.156 31.684 31.823 0.028 0.000 0.863 267 V HN 0.879 nan 8.190 nan 0.000 0.436 268 Q N 0.558 120.370 119.800 0.020 0.000 2.374 268 Q HA 0.283 4.622 4.340 -0.000 0.000 0.250 268 Q C 0.335 176.346 176.000 0.018 0.000 0.918 268 Q CA -0.347 55.464 55.803 0.012 0.000 0.778 268 Q CB 2.083 30.822 28.738 0.000 0.000 1.328 268 Q HN 0.283 nan 8.270 nan 0.000 0.445 269 Q N 1.291 121.102 119.800 0.019 0.000 2.170 269 Q HA 0.057 4.397 4.340 -0.000 0.000 0.203 269 Q C -0.308 175.706 176.000 0.024 0.000 0.976 269 Q CA 1.299 57.117 55.803 0.024 0.000 0.858 269 Q CB 0.421 29.171 28.738 0.020 0.000 0.907 269 Q HN 0.339 nan 8.270 nan 0.000 0.433 270 S N 0.149 115.859 115.700 0.018 0.000 2.776 270 S HA 0.376 4.846 4.470 -0.000 0.000 0.284 270 S C -1.348 173.259 174.600 0.011 0.000 1.160 270 S CA -0.859 57.352 58.200 0.018 0.000 1.051 270 S CB 0.350 63.560 63.200 0.016 0.000 1.037 270 S HN 0.439 nan 8.310 nan 0.000 0.485 271 N N 4.267 122.973 118.700 0.009 0.000 2.513 271 N HA 0.306 5.045 4.740 -0.000 0.000 0.268 271 N C -1.783 173.732 175.510 0.009 0.000 1.180 271 N CA -1.477 51.573 53.050 -0.000 0.000 0.948 271 N CB 1.021 39.499 38.487 -0.014 0.000 1.083 271 N HN 0.239 nan 8.380 nan 0.000 0.455 272 P HA -0.064 nan 4.420 nan 0.000 0.225 272 P C -0.042 177.268 177.300 0.018 0.000 1.148 272 P CA 1.245 64.352 63.100 0.012 0.000 0.779 272 P CB 0.281 31.987 31.700 0.011 0.000 0.780 273 E N -1.374 118.839 120.200 0.022 0.000 2.244 273 E HA 0.024 4.373 4.350 -0.000 0.000 0.196 273 E C 0.940 177.562 176.600 0.036 0.000 0.939 273 E CA 0.690 57.109 56.400 0.031 0.000 0.884 273 E CB 0.040 29.764 29.700 0.040 0.000 0.850 273 E HN 0.264 nan 8.360 nan 0.000 0.481 274 T N -2.959 111.618 114.554 0.039 0.000 2.948 274 T HA 0.421 4.771 4.350 -0.000 0.000 0.285 274 T C 1.185 175.907 174.700 0.037 0.000 1.019 274 T CA -0.313 61.815 62.100 0.045 0.000 1.013 274 T CB 1.723 70.630 68.868 0.066 0.000 1.117 274 T HN -0.001 nan 8.240 nan 0.000 0.533 275 G N 0.030 108.852 108.800 0.037 0.000 2.534 275 G HA2 0.093 4.053 3.960 -0.000 0.000 0.217 275 G HA3 0.093 4.053 3.960 -0.000 0.000 0.217 275 G C 0.479 175.400 174.900 0.035 0.000 1.128 275 G CA 0.062 45.181 45.100 0.031 0.000 0.784 275 G HN 0.701 nan 8.290 nan 0.000 0.542 276 K N 0.651 121.079 120.400 0.047 0.000 2.107 276 K HA 0.350 4.670 4.320 -0.000 0.000 0.251 276 K C -2.470 174.163 176.600 0.055 0.000 1.012 276 K CA -1.729 54.592 56.287 0.058 0.000 0.920 276 K CB 0.700 33.248 32.500 0.081 0.000 1.033 276 K HN -0.076 nan 8.250 nan 0.000 0.478 277 P HA 0.070 nan 4.420 nan 0.000 0.272 277 P C -1.087 176.259 177.300 0.077 0.000 1.240 277 P CA -0.340 62.798 63.100 0.063 0.000 0.791 277 P CB 0.614 32.357 31.700 0.072 0.000 0.978 278 V N 1.126 121.074 119.914 0.057 0.000 2.482 278 V HA 0.402 4.522 4.120 -0.000 0.000 0.295 278 V C -0.080 176.065 176.094 0.086 0.000 1.026 278 V CA -0.355 61.975 62.300 0.051 0.000 0.856 278 V CB 1.404 33.194 31.823 -0.054 0.000 1.001 278 V HN 0.687 nan 8.190 nan 0.000 0.424 279 S N 5.263 121.048 115.700 0.141 0.000 2.607 279 S HA 0.852 5.322 4.470 -0.000 0.000 0.303 279 S C -0.255 174.443 174.600 0.164 0.000 1.086 279 S CA -0.853 57.430 58.200 0.138 0.000 0.995 279 S CB 2.155 65.444 63.200 0.148 0.000 1.084 279 S HN 0.762 nan 8.310 nan 0.000 0.507 280 I N -1.824 118.835 120.570 0.149 0.000 3.156 280 I HA 0.589 4.759 4.170 -0.000 0.000 0.306 280 I C -2.729 173.471 176.117 0.137 0.000 1.048 280 I CA -2.636 58.772 61.300 0.180 0.000 1.207 280 I CB -0.304 37.810 38.000 0.191 0.000 1.456 280 I HN 0.322 nan 8.210 nan 0.000 0.616 281 P HA 0.064 nan 4.420 nan 0.000 0.274 281 P C -1.014 176.096 177.300 -0.317 0.000 1.264 281 P CA -0.084 62.907 63.100 -0.181 0.000 0.795 281 P CB 0.217 31.681 31.700 -0.394 0.000 1.064 282 F N 1.216 120.811 119.950 -0.591 0.000 2.445 282 F HA 0.433 4.960 4.527 -0.000 0.000 0.359 282 F C -0.941 174.294 175.800 -0.942 0.000 1.101 282 F CA 0.128 57.766 58.000 -0.604 0.000 1.177 282 F CB -0.305 38.368 39.000 -0.546 0.000 1.110 282 F HN 0.045 nan 8.300 nan 0.000 0.522 283 F N 3.858 123.202 119.950 -1.010 0.000 2.551 283 F HA 0.720 5.247 4.527 -0.000 0.000 0.316 283 F C 0.397 175.457 175.800 -1.235 0.000 1.089 283 F CA -0.932 56.526 58.000 -0.904 0.000 0.915 283 F CB 1.961 40.681 39.000 -0.465 0.000 1.186 283 F HN 0.634 nan 8.300 nan 0.000 0.456 284 G N 1.357 109.748 108.800 -0.681 0.000 2.574 284 G HA2 0.593 4.553 3.960 -0.000 0.000 0.299 284 G HA3 0.593 4.553 3.960 -0.000 0.000 0.299 284 G C -2.777 172.039 174.900 -0.140 0.000 1.298 284 G CA -1.774 43.108 45.100 -0.363 0.000 0.952 284 G HN 0.311 nan 8.290 nan 0.000 0.477 285 P HA 0.068 nan 4.420 nan 0.000 0.224 285 P C -0.432 176.808 177.300 -0.099 0.000 1.157 285 P CA 0.678 63.617 63.100 -0.268 0.000 0.799 285 P CB 0.122 31.473 31.700 -0.581 0.000 0.809 286 Y N -0.914 119.515 120.300 0.216 0.000 2.330 286 Y HA 0.394 4.944 4.550 -0.000 0.000 0.336 286 Y C 0.758 176.702 175.900 0.073 0.000 1.036 286 Y CA -0.813 57.298 58.100 0.019 0.000 1.125 286 Y CB 0.665 38.930 38.460 -0.325 0.000 1.194 286 Y HN -0.392 nan 8.280 nan 0.000 0.469 287 T N 2.652 117.372 114.554 0.277 0.000 2.744 287 T HA 0.270 4.620 4.350 -0.000 0.000 0.291 287 T C 0.064 174.797 174.700 0.055 0.000 0.957 287 T CA -0.815 61.471 62.100 0.309 0.000 1.002 287 T CB 0.212 69.405 68.868 0.541 0.000 0.919 287 T HN 0.709 nan 8.240 nan 0.000 0.468 288 T N 0.571 115.159 114.554 0.057 0.000 2.837 288 T HA 0.663 5.013 4.350 -0.000 0.000 0.285 288 T C -0.289 174.427 174.700 0.026 0.000 0.984 288 T CA -0.732 61.377 62.100 0.015 0.000 1.049 288 T CB 0.950 69.840 68.868 0.038 0.000 0.947 288 T HN 0.254 nan 8.240 nan 0.000 0.472 289 V N 3.994 123.924 119.914 0.026 0.000 2.444 289 V HA 0.375 4.494 4.120 -0.000 0.000 0.294 289 V C -0.033 176.075 176.094 0.023 0.000 1.022 289 V CA -1.063 61.246 62.300 0.013 0.000 0.850 289 V CB 0.995 32.819 31.823 0.002 0.000 0.992 289 V HN 1.049 nan 8.190 nan 0.000 0.426 290 N N 3.866 122.593 118.700 0.047 0.000 2.710 290 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 290 N C 1.146 176.673 175.510 0.028 0.000 1.059 290 N CA 1.658 54.730 53.050 0.037 0.000 0.720 290 N CB -1.063 37.429 38.487 0.010 0.000 0.983 290 N HN 1.568 nan 8.380 nan 0.000 0.544 291 G N -1.406 107.435 108.800 0.069 0.000 2.143 291 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.249 291 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.249 291 G C 0.017 174.926 174.900 0.014 0.000 0.981 291 G CA 0.525 45.657 45.100 0.054 0.000 0.665 291 G HN 0.596 nan 8.290 nan 0.000 0.528 292 R N -0.670 119.830 120.500 -0.001 0.000 2.621 292 R HA 0.582 4.922 4.340 -0.000 0.000 0.292 292 R C 0.265 176.542 176.300 -0.039 0.000 0.969 292 R CA -1.040 55.044 56.100 -0.027 0.000 0.887 292 R CB 1.527 31.801 30.300 -0.042 0.000 1.180 292 R HN 0.216 nan 8.270 nan 0.000 0.450 293 I N 3.324 123.838 120.570 -0.093 0.000 2.533 293 I HA -0.040 4.130 4.170 -0.000 0.000 0.284 293 I C 0.020 176.112 176.117 -0.043 0.000 1.109 293 I CA 0.153 61.296 61.300 -0.262 0.000 1.412 293 I CB 0.262 37.938 38.000 -0.539 0.000 1.396 293 I HN 0.608 nan 8.210 nan 0.000 0.543 294 W N 5.584 126.945 121.300 0.102 0.000 6.880 294 W HA -0.149 4.511 4.660 -0.000 0.000 0.423 294 W C -2.345 174.298 176.519 0.206 0.000 1.695 294 W CA -0.925 56.491 57.345 0.118 0.000 1.126 294 W CB -2.349 27.058 29.460 -0.089 0.000 2.925 294 W HN 0.318 nan 8.180 nan 0.000 1.530 295 P HA 0.323 nan 4.420 nan 0.000 0.278 295 P C -0.412 176.985 177.300 0.161 0.000 1.258 295 P CA -0.113 63.071 63.100 0.139 0.000 0.811 295 P CB 0.963 32.635 31.700 -0.046 0.000 1.063 296 Y N -1.013 119.312 120.300 0.041 0.000 2.457 296 Y HA 0.781 5.331 4.550 -0.000 0.000 0.333 296 Y C -0.926 174.861 175.900 -0.188 0.000 1.119 296 Y CA -1.708 56.312 58.100 -0.134 0.000 1.143 296 Y CB 0.996 39.395 38.460 -0.100 0.000 1.230 296 Y HN 0.510 nan 8.280 nan 0.000 0.469 297 A N 2.895 125.594 122.820 -0.203 0.000 2.335 297 A HA 0.443 4.763 4.320 -0.000 0.000 0.304 297 A C -1.484 176.063 177.584 -0.062 0.000 1.118 297 A CA -0.855 51.057 52.037 -0.208 0.000 0.757 297 A CB 0.424 19.225 19.000 -0.332 0.000 1.188 297 A HN 0.769 nan 8.150 nan 0.000 0.460 298 D N 1.991 122.403 120.400 0.020 0.000 2.317 298 D HA 0.430 5.070 4.640 -0.000 0.000 0.252 298 D C 0.221 176.486 176.300 -0.058 0.000 1.174 298 D CA 0.477 54.484 54.000 0.011 0.000 0.866 298 D CB 1.526 42.371 40.800 0.074 0.000 1.127 298 D HN 0.590 nan 8.370 nan 0.000 0.467 299 V N -0.398 119.415 119.914 -0.168 0.000 3.078 299 V HA 0.585 4.705 4.120 -0.000 0.000 0.311 299 V C -0.448 175.560 176.094 -0.144 0.000 1.138 299 V CA -1.051 61.085 62.300 -0.272 0.000 1.007 299 V CB 2.632 33.935 31.823 -0.867 0.000 1.045 299 V HN 0.138 nan 8.190 nan 0.000 0.432 300 D N 1.722 122.192 120.400 0.117 0.000 2.340 300 D HA 0.287 4.927 4.640 -0.000 0.000 0.251 300 D C -0.241 176.145 176.300 0.144 0.000 1.080 300 D CA 0.030 54.112 54.000 0.137 0.000 0.971 300 D CB 1.342 42.266 40.800 0.207 0.000 1.137 300 D HN 0.936 nan 8.370 nan 0.000 0.475 301 D N 0.068 120.528 120.400 0.099 0.000 2.745 301 D HA 0.175 4.814 4.640 -0.000 0.000 0.229 301 D C 0.479 176.886 176.300 0.179 0.000 1.088 301 D CA -0.438 53.637 54.000 0.125 0.000 1.054 301 D CB -0.372 40.468 40.800 0.066 0.000 1.132 301 D HN 0.315 nan 8.370 nan 0.000 0.464 302 G N -0.640 108.340 108.800 0.301 0.000 3.222 302 G HA2 0.468 4.427 3.960 -0.000 0.000 0.263 302 G HA3 0.468 4.427 3.960 -0.000 0.000 0.263 302 G C -1.374 173.702 174.900 0.294 0.000 1.312 302 G CA -1.246 44.007 45.100 0.256 0.000 0.934 302 G HN 0.193 nan 8.290 nan 0.000 0.577 303 W N -0.278 121.103 121.300 0.135 0.000 2.238 303 W HA 0.612 5.272 4.660 -0.000 0.000 0.321 303 W C -0.796 175.712 176.519 -0.018 0.000 1.293 303 W CA 0.241 57.607 57.345 0.035 0.000 1.204 303 W CB 0.663 30.016 29.460 -0.180 0.000 1.167 303 W HN 0.260 nan 8.180 nan 0.000 0.553 304 Y N 1.222 121.629 120.300 0.178 0.000 2.570 304 Y HA 0.507 5.056 4.550 -0.000 0.000 0.345 304 Y C -0.120 175.824 175.900 0.075 0.000 1.014 304 Y CA -1.876 56.304 58.100 0.132 0.000 1.063 304 Y CB 2.079 40.674 38.460 0.224 0.000 1.272 304 Y HN 0.279 nan 8.280 nan 0.000 0.477 305 R N 2.981 123.584 120.500 0.171 0.000 2.480 305 R HA 0.683 5.022 4.340 -0.000 0.000 0.306 305 R C -2.197 174.191 176.300 0.148 0.000 0.958 305 R CA -0.483 55.680 56.100 0.105 0.000 0.861 305 R CB 0.731 31.034 30.300 0.005 0.000 1.171 305 R HN 0.761 nan 8.270 nan 0.000 0.445 306 L N 4.685 125.995 121.223 0.145 0.000 2.322 306 L HA 0.582 4.922 4.340 -0.000 0.000 0.281 306 L C -0.022 176.921 176.870 0.122 0.000 1.014 306 L CA -1.219 53.713 54.840 0.153 0.000 0.815 306 L CB 1.766 43.930 42.059 0.176 0.000 1.247 306 L HN 0.431 nan 8.230 nan 0.000 0.421 307 R N 4.071 124.634 120.500 0.106 0.000 2.522 307 R HA 0.371 4.711 4.340 -0.000 0.000 0.290 307 R C -0.751 175.599 176.300 0.083 0.000 1.216 307 R CA -0.499 55.653 56.100 0.087 0.000 1.250 307 R CB 0.715 31.056 30.300 0.068 0.000 1.143 307 R HN 0.488 nan 8.270 nan 0.000 0.553 308 L N 3.297 124.587 121.223 0.112 0.000 2.276 308 L HA 0.439 4.779 4.340 -0.000 0.000 0.286 308 L C -0.729 176.185 176.870 0.073 0.000 1.061 308 L CA -0.379 54.520 54.840 0.098 0.000 0.807 308 L CB 1.606 43.742 42.059 0.128 0.000 1.177 308 L HN 0.191 nan 8.230 nan 0.000 0.429 309 V N 6.382 126.258 119.914 -0.064 0.000 2.656 309 V HA 0.429 4.549 4.120 -0.000 0.000 0.307 309 V C -0.479 175.426 176.094 -0.316 0.000 1.051 309 V CA -0.845 61.307 62.300 -0.247 0.000 0.893 309 V CB 2.173 33.686 31.823 -0.517 0.000 0.999 309 V HN 0.891 nan 8.190 nan 0.000 0.426 310 N N 5.274 123.787 118.700 -0.312 0.000 2.415 310 N HA 0.444 5.184 4.740 -0.000 0.000 0.246 310 N C 0.378 175.597 175.510 -0.485 0.000 1.078 310 N CA 0.347 53.239 53.050 -0.264 0.000 0.942 310 N CB 1.612 40.070 38.487 -0.047 0.000 1.140 310 N HN 0.814 nan 8.380 nan 0.000 0.501 311 A N 2.464 124.990 122.820 -0.491 0.000 2.379 311 A HA 0.204 4.523 4.320 -0.000 0.000 0.236 311 A C 0.514 177.925 177.584 -0.289 0.000 1.272 311 A CA -0.337 51.339 52.037 -0.601 0.000 0.886 311 A CB -0.210 18.424 19.000 -0.611 0.000 0.962 311 A HN 0.539 nan 8.150 nan 0.000 0.504 312 S N 0.750 116.373 115.700 -0.128 0.000 2.585 312 S HA 0.068 4.538 4.470 -0.000 0.000 0.273 312 S C 1.074 175.674 174.600 0.000 0.000 1.339 312 S CA -0.351 57.843 58.200 -0.009 0.000 1.028 312 S CB 0.607 63.886 63.200 0.132 0.000 0.906 312 S HN 0.566 nan 8.310 nan 0.000 0.528 313 N N 1.684 120.380 118.700 -0.007 0.000 2.094 313 N HA -0.115 4.625 4.740 -0.000 0.000 0.191 313 N C 1.124 176.595 175.510 -0.066 0.000 1.023 313 N CA 1.760 54.786 53.050 -0.041 0.000 0.857 313 N CB -0.098 38.365 38.487 -0.039 0.000 1.013 313 N HN 0.711 nan 8.380 nan 0.000 0.426 314 A N -1.513 121.230 122.820 -0.128 0.000 2.442 314 A HA 0.169 4.488 4.320 -0.000 0.000 0.158 314 A C 0.570 178.091 177.584 -0.105 0.000 1.759 314 A CA -0.449 51.450 52.037 -0.231 0.000 1.304 314 A CB 0.065 18.720 19.000 -0.576 0.000 1.570 314 A HN 0.102 nan 8.150 nan 0.000 0.440 315 R N 1.074 121.530 120.500 -0.074 0.000 2.522 315 R HA 0.299 4.639 4.340 -0.000 0.000 0.284 315 R C -1.010 175.323 176.300 0.056 0.000 1.032 315 R CA 0.197 56.349 56.100 0.087 0.000 1.049 315 R CB 0.015 30.273 30.300 -0.071 0.000 0.956 315 R HN 0.385 nan 8.270 nan 0.000 0.422 316 I N 5.781 126.381 120.570 0.049 0.000 2.312 316 I HA 0.084 4.254 4.170 -0.000 0.000 0.291 316 I C -0.507 175.584 176.117 -0.043 0.000 1.031 316 I CA -0.422 60.905 61.300 0.045 0.000 1.293 316 I CB 0.598 38.630 38.000 0.052 0.000 1.403 316 I HN 0.539 nan 8.210 nan 0.000 0.484 317 Y N 5.061 125.368 120.300 0.013 0.000 2.393 317 Y HA 0.160 4.710 4.550 -0.000 0.000 0.338 317 Y C 0.311 176.194 175.900 -0.028 0.000 1.029 317 Y CA -0.095 58.003 58.100 -0.004 0.000 1.239 317 Y CB 0.451 38.904 38.460 -0.013 0.000 1.170 317 Y HN 0.498 nan 8.280 nan 0.000 0.515 318 N N 4.730 123.477 118.700 0.078 0.000 2.801 318 N HA 0.310 5.050 4.740 -0.000 0.000 0.235 318 N C -1.254 174.293 175.510 0.062 0.000 1.069 318 N CA -0.294 52.786 53.050 0.050 0.000 0.946 318 N CB 0.479 38.978 38.487 0.020 0.000 1.212 318 N HN 0.417 nan 8.380 nan 0.000 0.509 319 L N 1.693 122.954 121.223 0.063 0.000 2.371 319 L HA 0.514 4.854 4.340 -0.000 0.000 0.272 319 L C -0.206 176.664 176.870 0.000 0.000 1.124 319 L CA -0.677 54.191 54.840 0.047 0.000 0.816 319 L CB 0.895 42.968 42.059 0.025 0.000 1.129 319 L HN 0.119 nan 8.230 nan 0.000 0.448 320 V N 3.630 123.430 119.914 -0.190 0.000 2.760 320 V HA 0.305 4.425 4.120 -0.000 0.000 0.309 320 V C -0.605 175.085 176.094 -0.675 0.000 1.077 320 V CA -0.633 61.263 62.300 -0.673 0.000 0.910 320 V CB 2.292 33.843 31.823 -0.453 0.000 1.008 320 V HN 0.414 nan 8.190 nan 0.000 0.424 321 L N 6.807 127.332 121.223 -1.164 0.000 2.260 321 L HA 0.673 5.013 4.340 -0.000 0.000 0.289 321 L C -0.313 176.326 176.870 -0.386 0.000 1.057 321 L CA 0.278 54.818 54.840 -0.500 0.000 0.811 321 L CB 0.560 42.477 42.059 -0.236 0.000 1.184 321 L HN 0.659 nan 8.230 nan 0.000 0.429 322 I N 1.084 121.537 120.570 -0.194 0.000 2.740 322 I HA 0.670 4.840 4.170 -0.000 0.000 0.303 322 I C -0.540 175.543 176.117 -0.058 0.000 1.044 322 I CA -0.896 60.331 61.300 -0.123 0.000 1.064 322 I CB 1.896 39.833 38.000 -0.105 0.000 1.249 322 I HN 0.583 nan 8.210 nan 0.000 0.433 323 D N 2.663 123.039 120.400 -0.041 0.000 2.469 323 D HA 0.147 4.787 4.640 -0.000 0.000 0.278 323 D C 0.599 176.884 176.300 -0.026 0.000 1.231 323 D CA -0.116 53.869 54.000 -0.025 0.000 1.075 323 D CB 0.403 41.193 40.800 -0.017 0.000 1.121 323 D HN 0.646 nan 8.370 nan 0.000 0.571 324 E N -1.125 119.062 120.200 -0.023 0.000 2.268 324 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 324 E C 0.355 176.946 176.600 -0.016 0.000 0.995 324 E CA 1.008 57.395 56.400 -0.021 0.000 0.836 324 E CB -0.104 29.583 29.700 -0.021 0.000 0.763 324 E HN 0.350 nan 8.360 nan 0.000 0.491 325 D N -0.055 120.335 120.400 -0.017 0.000 2.358 325 D HA 0.034 4.674 4.640 -0.000 0.000 0.224 325 D C -0.444 175.845 176.300 -0.019 0.000 1.123 325 D CA 0.099 54.090 54.000 -0.015 0.000 0.833 325 D CB 0.322 41.114 40.800 -0.014 0.000 0.946 325 D HN -0.043 nan 8.370 nan 0.000 0.505 326 D N -0.236 120.150 120.400 -0.023 0.000 3.046 326 D HA -0.223 4.417 4.640 -0.000 0.000 0.210 326 D C 0.465 176.742 176.300 -0.037 0.000 1.124 326 D CA 0.503 54.484 54.000 -0.032 0.000 0.986 326 D CB -1.163 39.620 40.800 -0.028 0.000 1.118 326 D HN 0.310 nan 8.370 nan 0.000 0.416 327 R N 1.016 121.498 120.500 -0.030 0.000 2.370 327 R HA 0.262 4.602 4.340 -0.000 0.000 0.309 327 R C -2.425 173.853 176.300 -0.037 0.000 1.059 327 R CA -1.194 54.892 56.100 -0.025 0.000 0.981 327 R CB 0.561 30.853 30.300 -0.014 0.000 0.972 327 R HN -0.142 nan 8.270 nan 0.000 0.437 328 P HA -0.083 nan 4.420 nan 0.000 0.264 328 P C -0.998 176.317 177.300 0.025 0.000 1.183 328 P CA 0.069 63.139 63.100 -0.050 0.000 0.763 328 P CB 0.613 32.331 31.700 0.029 0.000 0.807 329 V N 6.345 126.283 119.914 0.041 0.000 2.333 329 V HA 0.317 4.437 4.120 -0.000 0.000 0.274 329 V C -1.647 174.542 176.094 0.159 0.000 1.028 329 V CA -1.517 60.825 62.300 0.069 0.000 0.851 329 V CB 0.933 32.767 31.823 0.018 0.000 1.000 329 V HN 0.584 nan 8.190 nan 0.000 0.456 330 P HA 0.412 nan 4.420 nan 0.000 0.283 330 P C 0.661 177.927 177.300 -0.057 0.000 1.278 330 P CA 0.019 63.129 63.100 0.017 0.000 0.834 330 P CB 1.559 33.262 31.700 0.004 0.000 1.150 331 G N -0.690 108.036 108.800 -0.124 0.000 2.168 331 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.257 331 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.257 331 G C 0.434 175.229 174.900 -0.176 0.000 0.997 331 G CA 0.299 45.321 45.100 -0.131 0.000 0.708 331 G HN 0.426 nan 8.290 nan 0.000 0.520 332 V N -1.282 118.480 119.914 -0.252 0.000 3.371 332 V HA 0.251 4.370 4.120 -0.000 0.000 0.246 332 V C 1.113 176.995 176.094 -0.355 0.000 1.303 332 V CA 1.002 63.129 62.300 -0.288 0.000 1.156 332 V CB 1.240 32.914 31.823 -0.249 0.000 0.929 332 V HN 0.215 nan 8.190 nan 0.000 0.459 333 V N 0.993 120.686 119.914 -0.368 0.000 2.472 333 V HA 0.515 4.635 4.120 -0.000 0.000 0.290 333 V C -0.962 174.881 176.094 -0.418 0.000 1.037 333 V CA -0.450 61.690 62.300 -0.266 0.000 0.908 333 V CB 1.223 32.969 31.823 -0.129 0.000 0.985 333 V HN 0.552 nan 8.190 nan 0.000 0.454 334 H N 2.269 121.354 119.070 0.026 0.000 2.744 334 H HA 0.420 4.976 4.556 -0.000 0.000 0.339 334 H C -0.418 174.949 175.328 0.066 0.000 1.004 334 H CA -0.406 55.678 56.048 0.060 0.000 1.257 334 H CB 1.435 31.292 29.762 0.159 0.000 1.552 334 H HN 0.651 nan 8.280 nan 0.000 0.522 335 Q N 3.429 123.316 119.800 0.144 0.000 2.286 335 Q HA 0.263 4.603 4.340 -0.000 0.000 0.257 335 Q C 0.393 176.462 176.000 0.114 0.000 0.941 335 Q CA -0.260 55.626 55.803 0.137 0.000 0.912 335 Q CB 0.707 29.530 28.738 0.141 0.000 1.192 335 Q HN 0.902 nan 8.270 nan 0.000 0.410 336 I N -0.003 120.625 120.570 0.096 0.000 4.327 336 I HA 0.575 4.744 4.170 -0.000 0.000 0.331 336 I C 0.406 176.540 176.117 0.028 0.000 1.348 336 I CA -0.403 60.930 61.300 0.055 0.000 1.152 336 I CB 1.122 39.156 38.000 0.057 0.000 1.151 336 I HN 0.483 nan 8.210 nan 0.000 0.410 337 G N 0.688 109.510 108.800 0.037 0.000 2.677 337 G HA2 0.636 4.596 3.960 -0.000 0.000 0.291 337 G HA3 0.636 4.596 3.960 -0.000 0.000 0.291 337 G C -1.176 173.724 174.900 -0.001 0.000 1.435 337 G CA 0.089 45.203 45.100 0.024 0.000 0.826 337 G HN 0.298 nan 8.290 nan 0.000 0.491 338 S N -0.943 114.751 115.700 -0.011 0.000 2.840 338 S HA 0.525 4.995 4.470 -0.000 0.000 0.307 338 S C 0.339 174.927 174.600 -0.020 0.000 1.180 338 S CA -0.169 57.975 58.200 -0.093 0.000 0.846 338 S CB 1.393 64.551 63.200 -0.071 0.000 1.233 338 S HN 0.360 nan 8.310 nan 0.000 0.548 339 D N 1.349 121.724 120.400 -0.042 0.000 2.200 339 D HA -0.082 4.558 4.640 -0.000 0.000 0.192 339 D C 1.632 178.053 176.300 0.202 0.000 1.008 339 D CA 2.182 56.221 54.000 0.066 0.000 0.872 339 D CB -0.891 39.956 40.800 0.077 0.000 0.923 339 D HN 0.782 nan 8.370 nan 0.000 0.447 340 G N -1.258 107.693 108.800 0.253 0.000 3.126 340 G HA2 0.469 4.429 3.960 -0.000 0.000 0.224 340 G HA3 0.469 4.429 3.960 -0.000 0.000 0.224 340 G C 0.683 175.754 174.900 0.285 0.000 1.142 340 G CA 0.455 45.758 45.100 0.338 0.000 0.759 340 G HN 0.673 nan 8.290 nan 0.000 0.550 341 G N -0.442 108.483 108.800 0.208 0.000 2.293 341 G HA2 0.004 3.964 3.960 -0.000 0.000 0.282 341 G HA3 0.004 3.964 3.960 -0.000 0.000 0.282 341 G C -0.715 174.265 174.900 0.132 0.000 1.299 341 G CA -1.004 44.182 45.100 0.144 0.000 1.018 341 G HN 0.374 nan 8.290 nan 0.000 0.478 342 L N 1.002 122.286 121.223 0.101 0.000 2.490 342 L HA 0.296 4.636 4.340 -0.000 0.000 0.274 342 L C 1.045 177.917 176.870 0.004 0.000 1.201 342 L CA -0.237 54.633 54.840 0.050 0.000 0.869 342 L CB 0.188 42.271 42.059 0.040 0.000 1.123 342 L HN 0.416 nan 8.230 nan 0.000 0.484 343 L N 5.222 126.398 121.223 -0.078 0.000 2.464 343 L HA 0.134 4.474 4.340 -0.000 0.000 0.264 343 L C -1.075 175.588 176.870 -0.344 0.000 1.199 343 L CA -1.413 53.279 54.840 -0.246 0.000 0.818 343 L CB 0.092 42.053 42.059 -0.162 0.000 1.102 343 L HN 0.480 nan 8.230 nan 0.000 0.473 344 P HA -0.099 nan 4.420 nan 0.000 0.218 344 P C -0.162 177.030 177.300 -0.179 0.000 1.149 344 P CA 1.473 64.306 63.100 -0.446 0.000 0.817 344 P CB 0.285 31.658 31.700 -0.545 0.000 0.785 345 R N -1.042 119.362 120.500 -0.161 0.000 2.668 345 R HA 0.424 4.764 4.340 -0.000 0.000 0.272 345 R C -2.836 173.433 176.300 -0.052 0.000 1.019 345 R CA -2.396 53.656 56.100 -0.079 0.000 0.894 345 R CB 1.426 31.692 30.300 -0.057 0.000 1.228 345 R HN -0.095 nan 8.270 nan 0.000 0.460 346 P HA 0.062 nan 4.420 nan 0.000 0.271 346 P C -0.527 176.802 177.300 0.047 0.000 1.216 346 P CA -0.202 62.917 63.100 0.031 0.000 0.776 346 P CB 0.805 32.532 31.700 0.044 0.000 0.881 347 V N 5.670 125.620 119.914 0.061 0.000 2.357 347 V HA 0.265 4.385 4.120 -0.000 0.000 0.284 347 V C -1.918 174.196 176.094 0.033 0.000 1.018 347 V CA -2.042 60.280 62.300 0.035 0.000 0.841 347 V CB 1.338 33.173 31.823 0.020 0.000 0.991 347 V HN 0.552 nan 8.190 nan 0.000 0.437 348 P HA 0.150 nan 4.420 nan 0.000 0.271 348 P C -0.665 176.507 177.300 -0.212 0.000 1.216 348 P CA 0.054 63.088 63.100 -0.111 0.000 0.771 348 P CB 1.347 33.002 31.700 -0.075 0.000 0.864 349 V N 4.128 123.830 119.914 -0.353 0.000 2.266 349 V HA 0.148 4.267 4.120 -0.000 0.000 0.271 349 V C 0.442 176.031 176.094 -0.842 0.000 1.032 349 V CA 0.034 62.007 62.300 -0.545 0.000 0.806 349 V CB 0.862 32.384 31.823 -0.502 0.000 1.052 349 V HN 0.467 nan 8.190 nan 0.000 0.449 350 D N 3.376 123.394 120.400 -0.637 0.000 2.398 350 D HA 0.199 4.839 4.640 -0.000 0.000 0.210 350 D C 0.735 176.890 176.300 -0.242 0.000 1.094 350 D CA -0.039 53.722 54.000 -0.399 0.000 0.839 350 D CB 0.263 40.946 40.800 -0.194 0.000 0.963 350 D HN 0.536 nan 8.370 nan 0.000 0.506 351 F N 1.280 121.199 119.950 -0.051 0.000 3.074 351 F HA -0.284 4.243 4.527 -0.000 0.000 0.287 351 F C 0.702 176.484 175.800 -0.030 0.000 0.932 351 F CA 0.169 58.146 58.000 -0.039 0.000 0.995 351 F CB -1.750 37.225 39.000 -0.042 0.000 0.966 351 F HN 0.096 nan 8.300 nan 0.000 0.721 352 D N -1.505 118.919 120.400 0.040 0.000 2.730 352 D HA 0.282 4.921 4.640 -0.000 0.000 0.202 352 D C 0.948 177.257 176.300 0.015 0.000 1.283 352 D CA 0.361 54.378 54.000 0.027 0.000 1.159 352 D CB -0.107 40.692 40.800 -0.002 0.000 1.167 352 D HN -0.112 nan 8.370 nan 0.000 0.557 353 D N -1.557 118.844 120.400 0.001 0.000 2.324 353 D HA 0.077 4.717 4.640 -0.000 0.000 0.212 353 D C 1.710 178.007 176.300 -0.005 0.000 0.984 353 D CA 1.018 55.019 54.000 0.002 0.000 0.885 353 D CB -0.077 40.724 40.800 0.003 0.000 0.996 353 D HN 0.339 nan 8.370 nan 0.000 0.505 354 T N 0.219 114.763 114.554 -0.017 0.000 2.929 354 T HA -0.020 4.330 4.350 -0.000 0.000 0.271 354 T C 0.503 175.187 174.700 -0.027 0.000 1.085 354 T CA 0.668 62.756 62.100 -0.020 0.000 1.125 354 T CB 0.349 69.200 68.868 -0.029 0.000 0.874 354 T HN -0.065 nan 8.240 nan 0.000 0.494 355 L N 0.710 121.910 121.223 -0.038 0.000 2.722 355 L HA 0.301 4.641 4.340 -0.000 0.000 0.244 355 L C -2.456 174.396 176.870 -0.031 0.000 1.023 355 L CA -1.122 53.691 54.840 -0.045 0.000 0.988 355 L CB 1.733 43.736 42.059 -0.094 0.000 1.245 355 L HN -0.229 nan 8.230 nan 0.000 0.508 356 P HA 0.051 nan 4.420 nan 0.000 0.220 356 P C 0.086 177.513 177.300 0.213 0.000 1.152 356 P CA 0.927 64.088 63.100 0.103 0.000 0.812 356 P CB 0.272 32.011 31.700 0.066 0.000 0.792 357 V N -3.770 116.238 119.914 0.157 0.000 3.007 357 V HA 0.547 4.667 4.120 -0.000 0.000 0.311 357 V C -0.852 175.320 176.094 0.130 0.000 1.120 357 V CA -1.721 60.701 62.300 0.204 0.000 0.980 357 V CB 2.075 33.959 31.823 0.101 0.000 1.033 357 V HN -0.214 nan 8.190 nan 0.000 0.429 358 L N 3.382 124.698 121.223 0.156 0.000 2.295 358 L HA 0.567 4.907 4.340 -0.000 0.000 0.288 358 L C 0.615 177.427 176.870 -0.097 0.000 1.079 358 L CA 0.610 55.439 54.840 -0.018 0.000 0.830 358 L CB 0.938 42.957 42.059 -0.066 0.000 1.200 358 L HN 0.994 nan 8.230 nan 0.000 0.438 359 S N 4.817 120.478 115.700 -0.065 0.000 2.409 359 S HA 0.674 5.144 4.470 -0.000 0.000 0.308 359 S C 0.062 174.637 174.600 -0.043 0.000 1.080 359 S CA -0.384 57.807 58.200 -0.016 0.000 1.081 359 S CB 0.049 63.282 63.200 0.056 0.000 1.009 359 S HN 0.814 nan 8.310 nan 0.000 0.502 360 A N 4.846 127.606 122.820 -0.100 0.000 2.412 360 A HA 0.747 5.067 4.320 -0.000 0.000 0.334 360 A C 0.510 178.187 177.584 0.156 0.000 1.419 360 A CA -0.553 51.472 52.037 -0.020 0.000 0.930 360 A CB 0.053 18.893 19.000 -0.267 0.000 1.149 360 A HN 1.106 nan 8.150 nan 0.000 0.515 361 A N 3.982 126.924 122.820 0.202 0.000 2.332 361 A HA 0.692 5.012 4.320 -0.000 0.000 0.258 361 A C -2.475 175.165 177.584 0.093 0.000 1.087 361 A CA -1.618 50.503 52.037 0.140 0.000 0.802 361 A CB -0.335 18.744 19.000 0.133 0.000 1.042 361 A HN 0.552 nan 8.150 nan 0.000 0.489 362 P HA 0.150 nan 4.420 nan 0.000 0.259 362 P C 0.620 177.825 177.300 -0.158 0.000 1.163 362 P CA 2.247 65.340 63.100 -0.011 0.000 0.760 362 P CB 0.632 32.391 31.700 0.099 0.000 0.762 363 A N 2.595 125.217 122.820 -0.331 0.000 3.553 363 A HA -0.251 4.069 4.320 -0.000 0.000 0.261 363 A C 0.565 177.921 177.584 -0.379 0.000 1.096 363 A CA 0.749 52.511 52.037 -0.459 0.000 1.308 363 A CB -2.397 16.175 19.000 -0.714 0.000 1.084 363 A HN 0.567 nan 8.150 nan 0.000 0.914 364 E N -0.088 119.984 120.200 -0.214 0.000 2.392 364 E HA 0.410 4.760 4.350 -0.000 0.000 0.264 364 E C 0.292 176.729 176.600 -0.272 0.000 1.024 364 E CA -0.087 56.185 56.400 -0.212 0.000 0.903 364 E CB 0.362 30.029 29.700 -0.055 0.000 0.963 364 E HN 0.509 nan 8.360 nan 0.000 0.432 365 R N 1.656 121.894 120.500 -0.437 0.000 2.664 365 R HA 0.481 4.821 4.340 -0.000 0.000 0.286 365 R C -1.053 174.896 176.300 -0.585 0.000 0.967 365 R CA -0.512 55.401 56.100 -0.311 0.000 0.933 365 R CB 1.121 31.337 30.300 -0.141 0.000 1.146 365 R HN 0.360 nan 8.270 nan 0.000 0.468 366 F N 0.572 120.514 119.950 -0.013 0.000 2.553 366 F HA 0.201 4.728 4.527 -0.000 0.000 0.335 366 F C -0.320 175.496 175.800 0.026 0.000 1.148 366 F CA -0.988 57.021 58.000 0.015 0.000 0.963 366 F CB 1.772 40.782 39.000 0.017 0.000 1.217 366 F HN 0.319 nan 8.300 nan 0.000 0.441 367 D N 5.014 125.498 120.400 0.140 0.000 2.380 367 D HA 0.434 5.074 4.640 -0.000 0.000 0.230 367 D C -0.949 175.430 176.300 0.132 0.000 1.154 367 D CA 0.146 54.211 54.000 0.109 0.000 0.859 367 D CB 0.595 41.432 40.800 0.062 0.000 1.045 367 D HN 0.441 nan 8.370 nan 0.000 0.495 368 L N 3.938 125.243 121.223 0.137 0.000 2.362 368 L HA 0.448 4.788 4.340 -0.000 0.000 0.275 368 L C -0.174 176.777 176.870 0.135 0.000 0.998 368 L CA -0.945 53.978 54.840 0.139 0.000 0.820 368 L CB 1.979 44.113 42.059 0.125 0.000 1.270 368 L HN 0.174 nan 8.230 nan 0.000 0.415 369 L N 3.815 125.149 121.223 0.185 0.000 2.289 369 L HA 0.580 4.920 4.340 -0.000 0.000 0.285 369 L C -0.676 176.339 176.870 0.241 0.000 1.049 369 L CA -0.754 54.239 54.840 0.256 0.000 0.804 369 L CB 1.997 44.280 42.059 0.373 0.000 1.195 369 L HN 0.302 nan 8.230 nan 0.000 0.428 370 V N 1.798 121.766 119.914 0.089 0.000 2.483 370 V HA 0.182 4.302 4.120 -0.000 0.000 0.297 370 V C -0.530 175.210 176.094 -0.590 0.000 1.027 370 V CA -0.656 61.458 62.300 -0.310 0.000 0.855 370 V CB 1.954 33.416 31.823 -0.600 0.000 0.995 370 V HN 0.605 nan 8.190 nan 0.000 0.424 371 D N 3.883 123.797 120.400 -0.810 0.000 2.468 371 D HA 0.283 4.923 4.640 -0.000 0.000 0.218 371 D C 0.215 176.064 176.300 -0.752 0.000 1.155 371 D CA -0.273 53.027 54.000 -1.168 0.000 0.924 371 D CB 0.453 40.375 40.800 -1.463 0.000 1.029 371 D HN 0.366 nan 8.370 nan 0.000 0.515 372 F N 1.936 121.679 119.950 -0.344 0.000 2.692 372 F HA 0.264 4.790 4.527 -0.000 0.000 0.303 372 F C 2.156 177.858 175.800 -0.162 0.000 1.114 372 F CA -0.245 57.627 58.000 -0.215 0.000 1.361 372 F CB -0.008 38.901 39.000 -0.153 0.000 1.063 372 F HN 0.243 nan 8.300 nan 0.000 0.550 373 R N 0.430 120.877 120.500 -0.088 0.000 2.105 373 R HA -0.126 4.213 4.340 -0.000 0.000 0.239 373 R C 2.062 178.364 176.300 0.002 0.000 1.135 373 R CA 1.353 57.436 56.100 -0.028 0.000 0.967 373 R CB -0.367 29.896 30.300 -0.061 0.000 0.861 373 R HN 0.265 nan 8.270 nan 0.000 0.442 374 A N -0.012 122.796 122.820 -0.020 0.000 2.278 374 A HA 0.131 4.450 4.320 -0.000 0.000 0.212 374 A C 1.190 178.781 177.584 0.011 0.000 1.213 374 A CA 0.266 52.301 52.037 -0.003 0.000 0.840 374 A CB 0.183 19.175 19.000 -0.014 0.000 0.866 374 A HN 0.173 nan 8.150 nan 0.000 0.489 375 L N -0.333 120.909 121.223 0.032 0.000 3.014 375 L HA 0.257 4.597 4.340 -0.000 0.000 0.263 375 L C 1.240 178.115 176.870 0.008 0.000 1.207 375 L CA -0.469 54.391 54.840 0.033 0.000 1.017 375 L CB 0.537 42.647 42.059 0.085 0.000 1.360 375 L HN 0.361 nan 8.230 nan 0.000 0.560 376 G N -0.525 108.279 108.800 0.007 0.000 2.391 376 G HA2 0.289 4.249 3.960 -0.000 0.000 0.234 376 G HA3 0.289 4.249 3.960 -0.000 0.000 0.234 376 G C 1.166 176.055 174.900 -0.020 0.000 1.284 376 G CA 0.505 45.600 45.100 -0.009 0.000 0.873 376 G HN 0.463 nan 8.290 nan 0.000 0.549 377 G N 0.967 109.747 108.800 -0.034 0.000 2.175 377 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.265 377 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.265 377 G C 0.733 175.608 174.900 -0.041 0.000 0.979 377 G CA 0.743 45.821 45.100 -0.036 0.000 0.663 377 G HN 0.788 nan 8.290 nan 0.000 0.533 378 R N -0.680 119.793 120.500 -0.046 0.000 2.691 378 R HA 0.759 5.099 4.340 -0.000 0.000 0.259 378 R C 0.137 176.399 176.300 -0.063 0.000 1.048 378 R CA -0.808 55.267 56.100 -0.042 0.000 1.086 378 R CB 0.807 31.095 30.300 -0.020 0.000 1.166 378 R HN 0.260 nan 8.270 nan 0.000 0.526 379 R N 0.670 121.136 120.500 -0.057 0.000 2.476 379 R HA 0.507 4.847 4.340 -0.000 0.000 0.305 379 R C -0.765 175.506 176.300 -0.048 0.000 0.965 379 R CA -0.334 55.721 56.100 -0.075 0.000 0.867 379 R CB 1.418 31.655 30.300 -0.105 0.000 1.176 379 R HN 0.348 nan 8.270 nan 0.000 0.447 380 L N 2.978 124.198 121.223 -0.006 0.000 2.362 380 L HA 0.658 4.998 4.340 -0.000 0.000 0.271 380 L C -0.147 176.752 176.870 0.049 0.000 1.002 380 L CA -1.035 53.831 54.840 0.043 0.000 0.818 380 L CB 2.194 44.325 42.059 0.120 0.000 1.298 380 L HN 0.421 nan 8.230 nan 0.000 0.420 381 R N 1.664 122.165 120.500 0.001 0.000 2.637 381 R HA 0.582 4.922 4.340 -0.000 0.000 0.291 381 R C -1.253 175.073 176.300 0.044 0.000 0.963 381 R CA -0.984 55.099 56.100 -0.028 0.000 0.901 381 R CB 2.248 32.507 30.300 -0.068 0.000 1.160 381 R HN 0.271 nan 8.270 nan 0.000 0.457 382 L N 3.628 124.911 121.223 0.100 0.000 2.319 382 L HA 0.354 4.694 4.340 -0.000 0.000 0.280 382 L C -0.515 176.392 176.870 0.062 0.000 1.099 382 L CA -0.078 54.810 54.840 0.081 0.000 0.828 382 L CB 1.469 43.621 42.059 0.155 0.000 1.150 382 L HN 0.508 nan 8.230 nan 0.000 0.442 383 V N 0.545 120.469 119.914 0.016 0.000 3.040 383 V HA 0.643 4.763 4.120 -0.000 0.000 0.312 383 V C -0.769 175.366 176.094 0.068 0.000 1.115 383 V CA -1.026 61.302 62.300 0.047 0.000 0.998 383 V CB 2.021 33.846 31.823 0.003 0.000 1.042 383 V HN 0.637 nan 8.190 nan 0.000 0.433 384 D N 2.056 122.530 120.400 0.125 0.000 2.280 384 D HA 0.275 4.915 4.640 -0.000 0.000 0.243 384 D C -0.343 175.972 176.300 0.025 0.000 1.129 384 D CA -0.051 54.024 54.000 0.124 0.000 0.848 384 D CB 1.398 42.296 40.800 0.163 0.000 1.107 384 D HN 0.764 nan 8.370 nan 0.000 0.471 385 K N 2.712 123.113 120.400 0.001 0.000 2.276 385 K HA 0.507 4.827 4.320 -0.000 0.000 0.285 385 K C 0.229 176.803 176.600 -0.043 0.000 1.062 385 K CA -0.679 55.593 56.287 -0.025 0.000 0.918 385 K CB 0.863 33.349 32.500 -0.022 0.000 1.055 385 K HN 0.522 nan 8.250 nan 0.000 0.477 386 G N 3.828 112.594 108.800 -0.057 0.000 2.503 386 G HA2 0.155 4.115 3.960 -0.000 0.000 0.257 386 G HA3 0.155 4.115 3.960 -0.000 0.000 0.257 386 G C -1.581 173.281 174.900 -0.063 0.000 1.214 386 G CA -1.240 43.814 45.100 -0.077 0.000 0.839 386 G HN 0.516 nan 8.290 nan 0.000 0.559 387 P HA -0.003 nan 4.420 nan 0.000 0.223 387 P C 1.318 178.587 177.300 -0.050 0.000 1.151 387 P CA 1.155 64.222 63.100 -0.055 0.000 0.787 387 P CB 0.418 32.080 31.700 -0.063 0.000 0.788 388 G N -1.217 107.547 108.800 -0.059 0.000 3.337 388 G HA2 0.494 4.453 3.960 -0.000 0.000 0.246 388 G HA3 0.494 4.453 3.960 -0.000 0.000 0.246 388 G C 0.249 175.119 174.900 -0.049 0.000 1.131 388 G CA 0.367 45.435 45.100 -0.053 0.000 0.773 388 G HN 0.515 nan 8.290 nan 0.000 0.544 389 A N -0.129 122.662 122.820 -0.048 0.000 2.606 389 A HA 0.827 5.147 4.320 -0.000 0.000 0.293 389 A C -3.071 174.490 177.584 -0.038 0.000 1.082 389 A CA -1.259 50.752 52.037 -0.043 0.000 0.685 389 A CB 1.328 20.298 19.000 -0.051 0.000 1.284 389 A HN -0.019 nan 8.150 nan 0.000 0.408 390 P HA 0.391 nan 4.420 nan 0.000 0.272 390 P C 0.007 177.285 177.300 -0.036 0.000 1.223 390 P CA 0.142 63.224 63.100 -0.030 0.000 0.784 390 P CB 0.537 32.221 31.700 -0.026 0.000 0.923 391 A N 1.862 124.657 122.820 -0.040 0.000 2.567 391 A HA 0.384 4.704 4.320 -0.000 0.000 0.240 391 A C 1.528 179.082 177.584 -0.049 0.000 1.053 391 A CA 1.004 53.009 52.037 -0.053 0.000 0.755 391 A CB -1.552 17.399 19.000 -0.082 0.000 0.978 391 A HN 0.877 nan 8.150 nan 0.000 0.507 392 G N 1.921 110.695 108.800 -0.043 0.000 2.254 392 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.225 392 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.225 392 G C 0.430 175.309 174.900 -0.036 0.000 1.003 392 G CA 0.339 45.418 45.100 -0.034 0.000 0.622 392 G HN 1.251 nan 8.290 nan 0.000 0.507 393 T N 4.016 118.546 114.554 -0.040 0.000 2.743 393 T HA 0.545 4.895 4.350 -0.000 0.000 0.293 393 T C -2.321 172.346 174.700 -0.055 0.000 0.945 393 T CA -0.787 61.287 62.100 -0.043 0.000 1.030 393 T CB 1.942 70.786 68.868 -0.040 0.000 0.912 393 T HN 0.081 nan 8.240 nan 0.000 0.483 394 P HA 0.086 nan 4.420 nan 0.000 0.262 394 P C -0.405 176.836 177.300 -0.098 0.000 1.182 394 P CA 0.148 63.194 63.100 -0.091 0.000 0.761 394 P CB 0.349 31.989 31.700 -0.099 0.000 0.795 395 D N 4.378 124.708 120.400 -0.116 0.000 2.607 395 D HA 0.160 4.800 4.640 -0.000 0.000 0.318 395 D C -1.661 174.552 176.300 -0.146 0.000 1.212 395 D CA -2.156 51.775 54.000 -0.115 0.000 0.861 395 D CB 0.454 41.194 40.800 -0.099 0.000 1.064 395 D HN 0.100 nan 8.370 nan 0.000 0.500 396 P HA -0.113 nan 4.420 nan 0.000 0.218 396 P C 1.886 179.093 177.300 -0.154 0.000 1.149 396 P CA 0.469 63.458 63.100 -0.184 0.000 0.817 396 P CB 0.644 32.231 31.700 -0.190 0.000 0.785 397 L N -0.578 120.569 121.223 -0.126 0.000 2.079 397 L HA -0.091 4.248 4.340 -0.000 0.000 0.210 397 L C 2.497 179.289 176.870 -0.129 0.000 1.081 397 L CA 1.899 56.670 54.840 -0.114 0.000 0.752 397 L CB -1.359 40.646 42.059 -0.091 0.000 0.896 397 L HN 0.079 nan 8.230 nan 0.000 0.433 398 G N -1.718 107.001 108.800 -0.134 0.000 3.141 398 G HA2 0.291 4.251 3.960 -0.000 0.000 0.218 398 G HA3 0.291 4.251 3.960 -0.000 0.000 0.218 398 G C 1.100 175.885 174.900 -0.191 0.000 1.170 398 G CA 0.401 45.413 45.100 -0.148 0.000 0.769 398 G HN 0.516 nan 8.290 nan 0.000 0.546 399 G N -1.136 107.542 108.800 -0.205 0.000 2.137 399 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.237 399 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.237 399 G C 0.047 174.815 174.900 -0.219 0.000 1.002 399 G CA 0.116 45.069 45.100 -0.246 0.000 0.702 399 G HN 0.931 nan 8.290 nan 0.000 0.515 400 V N 0.590 120.392 119.914 -0.187 0.000 2.383 400 V HA 0.363 4.483 4.120 -0.000 0.000 0.261 400 V C 1.366 177.348 176.094 -0.187 0.000 0.987 400 V CA 0.229 62.435 62.300 -0.156 0.000 0.853 400 V CB 0.785 32.538 31.823 -0.118 0.000 1.095 400 V HN 0.443 nan 8.190 nan 0.000 0.461 401 R N 2.563 122.895 120.500 -0.280 0.000 2.092 401 R HA -0.002 4.338 4.340 -0.000 0.000 0.231 401 R C -0.214 175.744 176.300 -0.570 0.000 1.119 401 R CA 1.395 57.198 56.100 -0.494 0.000 0.970 401 R CB 0.160 30.044 30.300 -0.694 0.000 0.864 401 R HN 0.557 nan 8.270 nan 0.000 0.440 402 Y N -0.416 119.852 120.300 -0.054 0.000 2.376 402 Y HA 0.351 4.901 4.550 -0.000 0.000 0.326 402 Y C -1.869 173.981 175.900 -0.083 0.000 0.970 402 Y CA -2.845 55.197 58.100 -0.097 0.000 1.248 402 Y CB 2.131 40.580 38.460 -0.018 0.000 1.117 402 Y HN 0.047 nan 8.280 nan 0.000 0.476 403 P HA -0.151 nan 4.420 nan 0.000 0.220 403 P C -0.061 177.256 177.300 0.028 0.000 1.148 403 P CA 1.091 64.199 63.100 0.014 0.000 0.803 403 P CB 0.204 31.891 31.700 -0.021 0.000 0.782 404 E N 0.002 120.121 120.200 -0.136 0.000 2.414 404 E HA 0.015 4.365 4.350 -0.000 0.000 0.263 404 E C 0.514 177.166 176.600 0.085 0.000 1.000 404 E CA 0.103 56.413 56.400 -0.150 0.000 0.914 404 E CB 1.072 30.445 29.700 -0.544 0.000 0.948 404 E HN -0.018 nan 8.360 nan 0.000 0.444 405 V N 2.402 122.469 119.914 0.254 0.000 2.950 405 V HA 0.173 4.293 4.120 -0.000 0.000 0.231 405 V C 0.684 176.996 176.094 0.362 0.000 1.205 405 V CA 1.453 63.945 62.300 0.320 0.000 1.239 405 V CB -0.073 31.840 31.823 0.151 0.000 1.050 405 V HN 0.885 nan 8.190 nan 0.000 0.498 406 M N -0.987 118.770 119.600 0.261 0.000 2.895 406 M HA 0.602 5.082 4.480 -0.000 0.000 0.271 406 M C -1.447 174.675 176.300 -0.298 0.000 1.174 406 M CA -0.561 54.805 55.300 0.110 0.000 0.816 406 M CB 2.548 35.075 32.600 -0.122 0.000 1.647 406 M HN 0.014 nan 8.290 nan 0.000 0.506 407 E N 1.111 120.934 120.200 -0.628 0.000 2.210 407 E HA 0.626 4.976 4.350 -0.000 0.000 0.266 407 E C -2.092 174.158 176.600 -0.583 0.000 0.883 407 E CA -0.624 55.320 56.400 -0.760 0.000 0.761 407 E CB 1.692 30.628 29.700 -1.274 0.000 1.156 407 E HN 0.581 nan 8.360 nan 0.000 0.412 408 F N 3.017 122.824 119.950 -0.238 0.000 2.410 408 F HA 0.428 4.954 4.527 -0.000 0.000 0.349 408 F C 0.488 176.119 175.800 -0.281 0.000 1.117 408 F CA -0.663 57.181 58.000 -0.260 0.000 1.104 408 F CB 1.261 40.087 39.000 -0.291 0.000 1.122 408 F HN 0.235 nan 8.300 nan 0.000 0.483 409 R N 3.065 123.496 120.500 -0.116 0.000 2.272 409 R HA 0.472 4.812 4.340 -0.000 0.000 0.323 409 R C -1.388 174.802 176.300 -0.183 0.000 1.002 409 R CA -0.718 55.301 56.100 -0.136 0.000 0.900 409 R CB 1.323 31.556 30.300 -0.111 0.000 1.151 409 R HN 0.375 nan 8.270 nan 0.000 0.507 410 V N 3.780 123.566 119.914 -0.213 0.000 2.408 410 V HA 0.222 4.341 4.120 -0.000 0.000 0.267 410 V C 0.786 176.807 176.094 -0.122 0.000 1.047 410 V CA -0.560 61.596 62.300 -0.241 0.000 0.937 410 V CB 0.773 32.447 31.823 -0.248 0.000 0.999 410 V HN 0.601 nan 8.190 nan 0.000 0.472 411 R N 3.865 124.311 120.500 -0.090 0.000 2.308 411 R HA 0.268 4.607 4.340 -0.000 0.000 0.305 411 R C -0.017 176.273 176.300 -0.016 0.000 1.053 411 R CA -0.421 55.655 56.100 -0.040 0.000 0.957 411 R CB 0.906 31.196 30.300 -0.017 0.000 1.022 411 R HN 0.876 nan 8.270 nan 0.000 0.461 412 E N 2.234 122.429 120.200 -0.008 0.000 2.289 412 E HA 0.129 4.479 4.350 -0.000 0.000 0.278 412 E C -1.052 175.558 176.600 0.017 0.000 1.032 412 E CA 0.005 56.409 56.400 0.006 0.000 0.854 412 E CB 1.077 30.779 29.700 0.003 0.000 1.046 412 E HN 0.500 nan 8.360 nan 0.000 0.409 413 T N 3.045 117.616 114.554 0.029 0.000 2.906 413 T HA 0.206 4.556 4.350 -0.000 0.000 0.295 413 T C -0.040 174.681 174.700 0.035 0.000 1.075 413 T CA -0.676 61.445 62.100 0.035 0.000 1.005 413 T CB 1.323 70.221 68.868 0.051 0.000 1.136 413 T HN 0.604 nan 8.240 nan 0.000 0.498 414 C N 1.527 120.847 119.300 0.033 0.000 2.697 414 C HA 0.231 4.691 4.460 -0.000 0.000 0.267 414 C C 1.168 176.181 174.990 0.039 0.000 1.278 414 C CA -0.201 58.836 59.018 0.032 0.000 1.708 414 C CB -1.379 26.376 27.740 0.025 0.000 1.860 414 C HN 0.807 nan 8.230 nan 0.000 0.589 415 E N 1.622 121.850 120.200 0.047 0.000 2.398 415 E HA 0.085 4.435 4.350 -0.000 0.000 0.263 415 E C 0.053 176.693 176.600 0.066 0.000 1.046 415 E CA 0.499 56.932 56.400 0.055 0.000 0.908 415 E CB 0.442 30.180 29.700 0.062 0.000 0.963 415 E HN 0.286 nan 8.360 nan 0.000 0.431 416 E N 2.004 122.246 120.200 0.070 0.000 2.133 416 E HA 0.118 4.468 4.350 -0.000 0.000 0.274 416 E C -1.135 175.533 176.600 0.113 0.000 0.930 416 E CA -0.428 56.023 56.400 0.083 0.000 0.770 416 E CB 1.206 30.946 29.700 0.067 0.000 1.104 416 E HN 0.332 nan 8.360 nan 0.000 0.403 417 D N 1.640 122.137 120.400 0.161 0.000 2.396 417 D HA 0.065 4.705 4.640 -0.000 0.000 0.225 417 D C 0.529 176.977 176.300 0.246 0.000 1.121 417 D CA -0.132 54.008 54.000 0.234 0.000 0.853 417 D CB 0.750 41.769 40.800 0.364 0.000 1.043 417 D HN 0.247 nan 8.370 nan 0.000 0.500 418 S N 3.420 119.220 115.700 0.166 0.000 2.605 418 S HA 0.037 4.507 4.470 -0.000 0.000 0.217 418 S C 0.816 175.451 174.600 0.059 0.000 0.958 418 S CA -0.695 57.567 58.200 0.104 0.000 0.919 418 S CB -0.458 62.774 63.200 0.053 0.000 0.780 418 S HN 0.392 nan 8.310 nan 0.000 0.507 419 F N 3.368 123.277 119.950 -0.068 0.000 2.635 419 F HA 0.347 4.873 4.527 -0.000 0.000 0.379 419 F C 0.344 175.939 175.800 -0.342 0.000 1.094 419 F CA -0.419 57.408 58.000 -0.287 0.000 1.300 419 F CB 0.001 38.654 39.000 -0.580 0.000 1.035 419 F HN 0.286 nan 8.300 nan 0.000 0.581 420 A N 6.812 128.823 122.820 -1.347 0.000 2.355 420 A HA 0.666 4.985 4.320 -0.000 0.000 0.317 420 A C -1.833 174.902 177.584 -1.414 0.000 1.094 420 A CA -0.791 50.625 52.037 -1.035 0.000 0.764 420 A CB 1.372 20.056 19.000 -0.526 0.000 1.230 420 A HN 0.818 nan 8.150 nan 0.000 0.448 421 L N 4.376 125.070 121.223 -0.883 0.000 2.318 421 L HA 0.602 4.942 4.340 -0.000 0.000 0.277 421 L C -2.183 174.490 176.870 -0.327 0.000 1.008 421 L CA -1.629 52.845 54.840 -0.609 0.000 0.846 421 L CB 1.092 42.856 42.059 -0.492 0.000 1.220 421 L HN 0.541 nan 8.230 nan 0.000 0.423 422 P HA 0.242 nan 4.420 nan 0.000 0.279 422 P C 0.172 177.410 177.300 -0.103 0.000 1.239 422 P CA -0.311 62.694 63.100 -0.157 0.000 0.789 422 P CB 0.944 32.566 31.700 -0.130 0.000 0.933 423 E N 0.374 120.529 120.200 -0.074 0.000 2.160 423 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 423 E C 0.468 177.046 176.600 -0.038 0.000 0.991 423 E CA 1.102 57.475 56.400 -0.045 0.000 0.810 423 E CB -0.087 29.594 29.700 -0.032 0.000 0.742 423 E HN 0.262 nan 8.360 nan 0.000 0.466 424 V N 1.224 121.114 119.914 -0.040 0.000 2.581 424 V HA 0.117 4.237 4.120 -0.000 0.000 0.303 424 V C 0.617 176.688 176.094 -0.038 0.000 1.041 424 V CA -0.307 61.974 62.300 -0.031 0.000 0.907 424 V CB 2.019 33.833 31.823 -0.015 0.000 0.994 424 V HN 0.031 nan 8.190 nan 0.000 0.442 425 L N 3.152 124.355 121.223 -0.034 0.000 2.624 425 L HA 0.487 4.826 4.340 -0.000 0.000 0.222 425 L C 0.846 177.709 176.870 -0.011 0.000 1.046 425 L CA 1.026 55.846 54.840 -0.034 0.000 0.872 425 L CB 0.894 42.929 42.059 -0.039 0.000 1.190 425 L HN 0.649 nan 8.230 nan 0.000 0.487 426 S N -1.104 114.600 115.700 0.007 0.000 2.561 426 S HA 0.574 5.044 4.470 -0.000 0.000 0.303 426 S C 0.834 175.483 174.600 0.081 0.000 1.110 426 S CA -0.159 58.071 58.200 0.051 0.000 1.034 426 S CB 1.443 64.697 63.200 0.089 0.000 1.010 426 S HN 0.315 nan 8.310 nan 0.000 0.482 427 G N 2.278 111.116 108.800 0.063 0.000 2.551 427 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.216 427 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.216 427 G C 1.477 176.423 174.900 0.077 0.000 1.137 427 G CA 0.714 45.850 45.100 0.060 0.000 0.798 427 G HN 0.933 nan 8.290 nan 0.000 0.536 428 S N 0.004 115.758 115.700 0.089 0.000 2.428 428 S HA 0.125 4.594 4.470 -0.000 0.000 0.230 428 S C 0.953 175.622 174.600 0.115 0.000 1.014 428 S CA -0.420 57.827 58.200 0.078 0.000 0.957 428 S CB -0.399 62.837 63.200 0.061 0.000 0.784 428 S HN 0.157 nan 8.310 nan 0.000 0.499 429 F N 4.714 124.687 119.950 0.040 0.000 2.602 429 F HA 0.302 4.829 4.527 -0.000 0.000 0.385 429 F C 0.434 176.243 175.800 0.016 0.000 1.063 429 F CA -0.384 57.646 58.000 0.050 0.000 1.233 429 F CB 0.420 39.428 39.000 0.015 0.000 1.067 429 F HN 0.015 nan 8.300 nan 0.000 0.564 430 R N 5.395 125.455 120.500 -0.733 0.000 2.393 430 R HA 0.273 4.612 4.340 -0.000 0.000 0.315 430 R C -0.482 175.282 176.300 -0.894 0.000 0.952 430 R CA -1.320 54.434 56.100 -0.577 0.000 0.842 430 R CB 1.307 31.444 30.300 -0.271 0.000 1.163 430 R HN 0.635 nan 8.270 nan 0.000 0.450 431 R N 2.206 122.372 120.500 -0.557 0.000 2.523 431 R HA -0.042 4.298 4.340 -0.000 0.000 0.281 431 R C 0.245 176.414 176.300 -0.217 0.000 0.969 431 R CA 0.614 56.550 56.100 -0.272 0.000 1.093 431 R CB 0.335 30.621 30.300 -0.024 0.000 0.917 431 R HN 0.464 nan 8.270 nan 0.000 0.408 432 M N 3.076 122.582 119.600 -0.157 0.000 2.217 432 M HA 0.035 4.514 4.480 -0.000 0.000 0.352 432 M C -0.038 176.231 176.300 -0.051 0.000 1.376 432 M CA 0.531 55.777 55.300 -0.091 0.000 1.107 432 M CB 1.193 33.763 32.600 -0.049 0.000 1.723 432 M HN 0.593 nan 8.290 nan 0.000 0.461 433 S N 2.587 118.250 115.700 -0.062 0.000 2.429 433 S HA 0.144 4.614 4.470 -0.000 0.000 0.302 433 S C 1.158 175.746 174.600 -0.019 0.000 1.115 433 S CA -0.496 57.688 58.200 -0.027 0.000 1.095 433 S CB 0.315 63.492 63.200 -0.038 0.000 0.987 433 S HN 0.778 nan 8.310 nan 0.000 0.474 434 H N 3.424 122.457 119.070 -0.062 0.000 2.539 434 H HA -0.109 4.446 4.556 -0.000 0.000 0.292 434 H C 0.335 175.703 175.328 0.068 0.000 1.069 434 H CA 1.457 57.485 56.048 -0.033 0.000 1.244 434 H CB 0.364 30.136 29.762 0.017 0.000 1.365 434 H HN 0.634 nan 8.280 nan 0.000 0.575 435 D N 0.496 120.866 120.400 -0.049 0.000 2.317 435 D HA 0.018 4.658 4.640 -0.000 0.000 0.211 435 D C 0.669 176.915 176.300 -0.090 0.000 0.966 435 D CA 0.245 54.198 54.000 -0.080 0.000 0.876 435 D CB 0.121 40.899 40.800 -0.037 0.000 0.927 435 D HN 0.386 nan 8.370 nan 0.000 0.519 436 I N 2.312 122.817 120.570 -0.108 0.000 2.618 436 I HA 0.039 4.209 4.170 -0.000 0.000 0.284 436 I C -1.997 174.095 176.117 -0.043 0.000 1.146 436 I CA -1.621 59.583 61.300 -0.160 0.000 1.425 436 I CB 0.570 38.345 38.000 -0.375 0.000 1.383 436 I HN -0.258 nan 8.210 nan 0.000 0.562 437 P HA 0.055 nan 4.420 nan 0.000 0.267 437 P C -1.050 176.266 177.300 0.026 0.000 1.200 437 P CA 0.442 63.507 63.100 -0.058 0.000 0.772 437 P CB 0.399 32.066 31.700 -0.056 0.000 0.855 438 H N -0.690 118.331 119.070 -0.081 0.000 3.037 438 H HA 0.483 5.039 4.556 -0.000 0.000 0.336 438 H C -0.542 174.705 175.328 -0.134 0.000 1.323 438 H CA -1.073 54.933 56.048 -0.070 0.000 1.159 438 H CB 0.444 30.153 29.762 -0.088 0.000 1.882 438 H HN 0.530 nan 8.280 nan 0.000 0.535 439 G N 0.388 109.183 108.800 -0.008 0.000 2.599 439 G HA2 0.415 4.375 3.960 -0.000 0.000 0.264 439 G HA3 0.415 4.375 3.960 -0.000 0.000 0.264 439 G C -1.098 173.702 174.900 -0.167 0.000 1.200 439 G CA -0.350 44.715 45.100 -0.059 0.000 0.896 439 G HN 0.683 nan 8.290 nan 0.000 0.536 440 H N -0.410 118.682 119.070 0.036 0.000 2.637 440 H HA 0.620 5.176 4.556 -0.000 0.000 0.363 440 H C -0.116 175.077 175.328 -0.225 0.000 1.131 440 H CA -0.759 55.294 56.048 0.009 0.000 1.183 440 H CB 1.793 31.577 29.762 0.036 0.000 1.637 440 H HN 0.243 nan 8.280 nan 0.000 0.531 441 R N 1.770 122.095 120.500 -0.292 0.000 2.686 441 R HA 0.432 4.772 4.340 -0.000 0.000 0.286 441 R C -1.367 174.672 176.300 -0.436 0.000 0.969 441 R CA -1.208 54.497 56.100 -0.658 0.000 0.898 441 R CB 2.518 31.836 30.300 -1.636 0.000 1.183 441 R HN 0.446 nan 8.270 nan 0.000 0.456 442 L N 3.643 124.666 121.223 -0.334 0.000 2.319 442 L HA 0.511 4.851 4.340 -0.000 0.000 0.281 442 L C -1.005 175.761 176.870 -0.173 0.000 1.005 442 L CA -0.390 54.281 54.840 -0.282 0.000 0.828 442 L CB 1.087 42.925 42.059 -0.368 0.000 1.227 442 L HN 0.461 nan 8.230 nan 0.000 0.415 443 I N 6.607 127.078 120.570 -0.164 0.000 2.382 443 I HA 0.345 4.514 4.170 -0.000 0.000 0.285 443 I C -0.267 175.883 176.117 0.055 0.000 1.007 443 I CA -0.658 60.659 61.300 0.028 0.000 1.142 443 I CB 1.466 39.527 38.000 0.101 0.000 1.289 443 I HN 0.238 nan 8.210 nan 0.000 0.453 444 V N 7.107 127.056 119.914 0.060 0.000 2.481 444 V HA 0.345 4.465 4.120 -0.000 0.000 0.286 444 V C -0.058 175.987 176.094 -0.081 0.000 1.042 444 V CA -0.562 61.708 62.300 -0.051 0.000 0.928 444 V CB 2.122 33.880 31.823 -0.108 0.000 0.986 444 V HN 0.359 nan 8.190 nan 0.000 0.462 445 L N 5.389 126.529 121.223 -0.138 0.000 2.280 445 L HA 0.486 4.826 4.340 -0.000 0.000 0.287 445 L C 0.568 177.244 176.870 -0.324 0.000 1.023 445 L CA 0.120 54.846 54.840 -0.189 0.000 0.819 445 L CB 1.466 43.471 42.059 -0.088 0.000 1.212 445 L HN 0.831 nan 8.230 nan 0.000 0.420 446 T N 1.751 116.028 114.554 -0.462 0.000 2.928 446 T HA 0.675 5.025 4.350 -0.000 0.000 0.284 446 T C -2.541 172.015 174.700 -0.240 0.000 1.008 446 T CA -2.015 59.749 62.100 -0.560 0.000 1.057 446 T CB 1.437 69.769 68.868 -0.893 0.000 1.018 446 T HN 0.273 nan 8.240 nan 0.000 0.493 447 P HA 0.227 nan 4.420 nan 0.000 0.272 447 P C -2.102 175.202 177.300 0.006 0.000 1.230 447 P CA -1.560 61.534 63.100 -0.010 0.000 0.788 447 P CB 0.001 31.730 31.700 0.048 0.000 0.949 448 P HA -0.102 nan 4.420 nan 0.000 0.216 448 P C 1.283 178.595 177.300 0.019 0.000 1.150 448 P CA 1.763 64.873 63.100 0.016 0.000 0.837 448 P CB -0.368 31.343 31.700 0.018 0.000 0.786 449 G N -0.852 107.967 108.800 0.031 0.000 3.424 449 G HA2 0.039 3.999 3.960 -0.000 0.000 0.263 449 G HA3 0.039 3.999 3.960 -0.000 0.000 0.263 449 G C 0.005 174.941 174.900 0.061 0.000 1.310 449 G CA -0.023 45.097 45.100 0.032 0.000 1.089 449 G HN 0.149 nan 8.290 nan 0.000 0.534 450 T N 0.423 115.035 114.554 0.097 0.000 2.907 450 T HA 0.220 4.570 4.350 -0.000 0.000 0.298 450 T C 0.581 175.380 174.700 0.164 0.000 1.017 450 T CA -0.420 61.773 62.100 0.156 0.000 1.118 450 T CB 1.473 70.480 68.868 0.232 0.000 0.948 450 T HN 0.333 nan 8.240 nan 0.000 0.531 451 K N 2.119 122.608 120.400 0.147 0.000 2.401 451 K HA 0.092 4.412 4.320 -0.000 0.000 0.267 451 K C 1.221 177.927 176.600 0.177 0.000 1.140 451 K CA 1.308 57.674 56.287 0.132 0.000 1.199 451 K CB -0.973 31.596 32.500 0.115 0.000 0.822 451 K HN 0.932 nan 8.250 nan 0.000 0.488 452 G N 2.795 111.672 108.800 0.128 0.000 2.149 452 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.235 452 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.235 452 G C 0.371 175.365 174.900 0.158 0.000 1.018 452 G CA 0.522 45.696 45.100 0.123 0.000 0.728 452 G HN 0.998 nan 8.290 nan 0.000 0.508 453 S N -1.004 114.798 115.700 0.170 0.000 2.578 453 S HA 0.461 4.931 4.470 -0.000 0.000 0.231 453 S C 1.995 176.712 174.600 0.195 0.000 0.994 453 S CA 1.046 59.368 58.200 0.203 0.000 0.956 453 S CB 0.624 63.950 63.200 0.211 0.000 0.870 453 S HN 2.207 nan 8.310 nan 0.000 0.494 454 G N 1.131 110.006 108.800 0.125 0.000 2.212 454 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.267 454 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.267 454 G C 1.109 175.929 174.900 -0.134 0.000 1.002 454 G CA 0.424 45.569 45.100 0.075 0.000 0.729 454 G HN 1.943 nan 8.290 nan 0.000 0.517 455 G N -1.899 106.823 108.800 -0.130 0.000 2.141 455 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.231 455 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.231 455 G C 0.046 174.743 174.900 -0.337 0.000 0.984 455 G CA 0.569 45.533 45.100 -0.227 0.000 0.660 455 G HN 1.306 nan 8.290 nan 0.000 0.525 456 H N 0.878 119.981 119.070 0.054 0.000 2.472 456 H HA 0.422 4.978 4.556 -0.000 0.000 0.338 456 H C -2.219 173.101 175.328 -0.014 0.000 1.133 456 H CA -1.511 54.551 56.048 0.024 0.000 1.216 456 H CB 1.901 31.683 29.762 0.034 0.000 1.497 456 H HN 0.174 nan 8.280 nan 0.000 0.500 457 P HA 0.067 nan 4.420 nan 0.000 0.270 457 P C -0.381 176.881 177.300 -0.063 0.000 1.223 457 P CA 0.101 63.158 63.100 -0.072 0.000 0.785 457 P CB 1.570 33.178 31.700 -0.154 0.000 0.923 458 E N -0.014 120.128 120.200 -0.097 0.000 2.433 458 E HA 0.486 4.836 4.350 -0.000 0.000 0.278 458 E C -0.666 175.915 176.600 -0.031 0.000 0.976 458 E CA -0.915 55.489 56.400 0.006 0.000 0.793 458 E CB 1.726 31.552 29.700 0.210 0.000 1.311 458 E HN 0.335 nan 8.360 nan 0.000 0.460 459 I N 1.422 122.056 120.570 0.105 0.000 2.353 459 I HA 0.244 4.414 4.170 -0.000 0.000 0.293 459 I C -0.931 175.423 176.117 0.396 0.000 0.992 459 I CA -0.391 61.013 61.300 0.173 0.000 1.268 459 I CB 0.590 38.688 38.000 0.163 0.000 1.387 459 I HN 0.265 nan 8.210 nan 0.000 0.478 460 W N 5.252 126.568 121.300 0.028 0.000 2.362 460 W HA 0.392 5.052 4.660 -0.000 0.000 0.316 460 W C -0.053 176.485 176.519 0.030 0.000 1.024 460 W CA -1.002 56.354 57.345 0.019 0.000 1.270 460 W CB 0.691 30.152 29.460 0.003 0.000 1.273 460 W HN 0.397 nan 8.180 nan 0.000 0.424 461 E N 3.582 123.894 120.200 0.186 0.000 2.344 461 E HA 0.252 4.602 4.350 -0.000 0.000 0.270 461 E C 0.050 176.725 176.600 0.126 0.000 1.021 461 E CA -0.039 56.443 56.400 0.137 0.000 0.887 461 E CB 0.787 30.487 29.700 0.001 0.000 0.997 461 E HN 0.072 nan 8.360 nan 0.000 0.429 462 M N 1.895 121.571 119.600 0.126 0.000 2.383 462 M HA 0.479 4.959 4.480 -0.000 0.000 0.325 462 M C -0.432 175.945 176.300 0.128 0.000 1.092 462 M CA -0.870 54.496 55.300 0.111 0.000 0.961 462 M CB 1.519 34.144 32.600 0.040 0.000 1.672 462 M HN 0.460 nan 8.290 nan 0.000 0.438 463 A N 2.125 125.040 122.820 0.158 0.000 2.324 463 A HA 0.596 4.916 4.320 -0.000 0.000 0.330 463 A C -0.259 177.481 177.584 0.259 0.000 1.165 463 A CA -0.623 51.514 52.037 0.166 0.000 0.813 463 A CB 0.934 19.992 19.000 0.097 0.000 1.197 463 A HN 0.855 nan 8.150 nan 0.000 0.484 464 E N 0.789 121.137 120.200 0.246 0.000 2.366 464 E HA 0.418 4.768 4.350 -0.000 0.000 0.266 464 E C -0.801 175.782 176.600 -0.029 0.000 1.051 464 E CA -0.289 56.135 56.400 0.040 0.000 0.884 464 E CB 1.166 30.854 29.700 -0.021 0.000 1.006 464 E HN 0.582 nan 8.360 nan 0.000 0.417 465 V N 3.360 123.213 119.914 -0.103 0.000 2.815 465 V HA 0.343 4.463 4.120 -0.000 0.000 0.314 465 V C -0.663 175.385 176.094 -0.076 0.000 1.064 465 V CA -0.301 61.962 62.300 -0.062 0.000 0.952 465 V CB 1.343 33.142 31.823 -0.039 0.000 1.020 465 V HN 1.100 nan 8.190 nan 0.000 0.439 473 V N -0.019 119.910 119.914 0.024 0.000 2.999 473 V HA 0.447 4.567 4.120 -0.000 0.000 0.307 473 V C -1.729 174.380 176.094 0.024 0.000 1.084 473 V CA -0.935 61.385 62.300 0.033 0.000 1.155 473 V CB -0.739 31.109 31.823 0.043 0.000 0.975 473 V HN 0.485 nan 8.190 nan 0.000 0.490 474 P HA 0.697 nan 4.420 nan 0.000 0.274 474 P C -0.515 176.802 177.300 0.027 0.000 1.256 474 P CA 0.002 63.118 63.100 0.028 0.000 0.795 474 P CB 0.780 32.489 31.700 0.015 0.000 1.038 475 A N -0.124 122.717 122.820 0.035 0.000 2.586 475 A HA 0.364 4.683 4.320 -0.000 0.000 0.298 475 A C -0.901 176.716 177.584 0.056 0.000 1.013 475 A CA -0.769 51.290 52.037 0.037 0.000 0.707 475 A CB 0.190 19.212 19.000 0.035 0.000 1.276 475 A HN 0.602 nan 8.150 nan 0.000 0.414 476 E N 1.027 121.252 120.200 0.042 0.000 2.417 476 E HA 0.400 4.750 4.350 -0.000 0.000 0.261 476 E C 1.126 177.753 176.600 0.046 0.000 1.000 476 E CA 1.090 57.525 56.400 0.059 0.000 0.919 476 E CB 0.207 29.925 29.700 0.029 0.000 0.955 476 E HN 2.445 nan 8.360 nan 0.000 0.455 477 G N 2.622 111.481 108.800 0.099 0.000 2.159 477 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.256 477 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.256 477 G C -0.076 174.894 174.900 0.117 0.000 0.977 477 G CA 0.117 45.191 45.100 -0.043 0.000 0.652 477 G HN 0.572 nan 8.290 nan 0.000 0.531 478 V N 1.496 121.529 119.914 0.198 0.000 2.409 478 V HA 0.698 4.818 4.120 -0.000 0.000 0.291 478 V C 0.274 176.530 176.094 0.270 0.000 1.020 478 V CA -0.650 61.764 62.300 0.190 0.000 0.848 478 V CB 1.686 33.576 31.823 0.112 0.000 0.990 478 V HN 0.301 nan 8.190 nan 0.000 0.430 479 I N 4.326 125.073 120.570 0.294 0.000 2.498 479 I HA 0.471 4.641 4.170 -0.000 0.000 0.290 479 I C -0.327 175.959 176.117 0.281 0.000 1.032 479 I CA -0.493 60.996 61.300 0.315 0.000 1.073 479 I CB 2.269 40.451 38.000 0.303 0.000 1.251 479 I HN 0.547 nan 8.210 nan 0.000 0.426 480 Q N 4.169 124.104 119.800 0.226 0.000 2.274 480 Q HA 0.680 5.019 4.340 -0.000 0.000 0.260 480 Q C -1.360 174.759 176.000 0.200 0.000 0.974 480 Q CA -0.688 55.229 55.803 0.190 0.000 0.876 480 Q CB 2.998 31.811 28.738 0.124 0.000 1.297 480 Q HN 0.414 nan 8.270 nan 0.000 0.446 481 V N 2.173 122.223 119.914 0.226 0.000 2.525 481 V HA 0.336 4.456 4.120 -0.000 0.000 0.299 481 V C -0.655 175.551 176.094 0.186 0.000 1.034 481 V CA -0.747 61.683 62.300 0.217 0.000 0.863 481 V CB 2.124 34.087 31.823 0.234 0.000 0.999 481 V HN 0.795 nan 8.190 nan 0.000 0.423 482 T N 3.991 118.648 114.554 0.172 0.000 2.738 482 T HA 0.537 4.887 4.350 -0.000 0.000 0.298 482 T C 0.595 175.386 174.700 0.151 0.000 0.962 482 T CA -0.184 61.996 62.100 0.133 0.000 0.972 482 T CB 1.206 70.135 68.868 0.102 0.000 0.928 482 T HN 0.883 nan 8.240 nan 0.000 0.474 483 G N 1.211 110.086 108.800 0.125 0.000 2.547 483 G HA2 0.504 4.464 3.960 -0.000 0.000 0.291 483 G HA3 0.504 4.464 3.960 -0.000 0.000 0.291 483 G C 1.197 176.126 174.900 0.048 0.000 1.211 483 G CA -0.425 44.741 45.100 0.110 0.000 0.950 483 G HN 0.770 nan 8.290 nan 0.000 0.504 484 A N 0.375 123.206 122.820 0.018 0.000 1.940 484 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 484 A C 1.962 179.550 177.584 0.006 0.000 1.190 484 A CA 2.616 54.648 52.037 -0.009 0.000 0.647 484 A CB -0.581 18.410 19.000 -0.016 0.000 0.821 484 A HN 0.739 nan 8.150 nan 0.000 0.457 485 D N -2.157 118.255 120.400 0.019 0.000 2.378 485 D HA 0.242 4.881 4.640 -0.000 0.000 0.227 485 D C 1.251 177.563 176.300 0.021 0.000 1.012 485 D CA 1.365 55.377 54.000 0.019 0.000 0.905 485 D CB -0.572 40.242 40.800 0.022 0.000 0.895 485 D HN 0.981 nan 8.370 nan 0.000 0.532 486 G N 0.413 109.228 108.800 0.025 0.000 2.268 486 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.240 486 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.240 486 G C 0.445 175.364 174.900 0.031 0.000 1.010 486 G CA 0.165 45.281 45.100 0.026 0.000 0.618 486 G HN 0.706 nan 8.290 nan 0.000 0.516 487 R N 1.112 121.631 120.500 0.031 0.000 2.641 487 R HA 0.503 4.843 4.340 -0.000 0.000 0.269 487 R C -0.702 175.624 176.300 0.042 0.000 1.074 487 R CA 0.717 56.834 56.100 0.029 0.000 1.133 487 R CB 0.331 30.643 30.300 0.021 0.000 1.029 487 R HN 0.093 nan 8.270 nan 0.000 0.488 488 T N 4.292 118.865 114.554 0.032 0.000 2.772 488 T HA 0.307 4.657 4.350 -0.000 0.000 0.288 488 T C -0.734 173.969 174.700 0.005 0.000 0.994 488 T CA -0.623 61.502 62.100 0.041 0.000 0.951 488 T CB 1.080 69.973 68.868 0.043 0.000 0.933 488 T HN 0.480 nan 8.240 nan 0.000 0.447 489 K N 1.613 122.014 120.400 0.002 0.000 2.139 489 K HA 0.692 5.012 4.320 -0.000 0.000 0.243 489 K C -0.259 176.196 176.600 -0.242 0.000 0.983 489 K CA -0.772 55.428 56.287 -0.145 0.000 0.890 489 K CB 1.514 33.901 32.500 -0.187 0.000 1.090 489 K HN 0.370 nan 8.250 nan 0.000 0.445 490 T N 1.540 115.824 114.554 -0.449 0.000 2.824 490 T HA 0.467 4.816 4.350 -0.000 0.000 0.282 490 T C -1.515 172.887 174.700 -0.496 0.000 0.993 490 T CA -0.566 61.344 62.100 -0.317 0.000 0.967 490 T CB 0.336 69.129 68.868 -0.126 0.000 0.960 490 T HN 0.292 nan 8.240 nan 0.000 0.441 491 Y N 1.298 121.628 120.300 0.050 0.000 2.462 491 Y HA 0.616 5.166 4.550 -0.000 0.000 0.346 491 Y C 0.297 176.236 175.900 0.064 0.000 0.976 491 Y CA -1.234 56.897 58.100 0.051 0.000 1.044 491 Y CB 1.782 40.274 38.460 0.054 0.000 1.230 491 Y HN 0.403 nan 8.280 nan 0.000 0.455 492 R N 2.770 123.391 120.500 0.202 0.000 2.514 492 R HA 0.479 4.819 4.340 -0.000 0.000 0.301 492 R C -0.581 175.773 176.300 0.090 0.000 0.962 492 R CA -0.904 55.263 56.100 0.112 0.000 0.882 492 R CB 1.179 31.512 30.300 0.055 0.000 1.143 492 R HN 0.835 nan 8.270 nan 0.000 0.452 493 R N 1.821 122.328 120.500 0.010 0.000 2.491 493 R HA 0.033 4.373 4.340 -0.000 0.000 0.283 493 R C 0.142 176.378 176.300 -0.108 0.000 1.072 493 R CA 0.736 56.777 56.100 -0.098 0.000 1.048 493 R CB 0.686 30.724 30.300 -0.437 0.000 0.983 493 R HN 0.884 nan 8.270 nan 0.000 0.450 494 T N 0.045 114.555 114.554 -0.072 0.000 2.975 494 T HA 0.403 4.753 4.350 -0.000 0.000 0.257 494 T C 0.028 174.673 174.700 -0.092 0.000 1.003 494 T CA 0.118 62.180 62.100 -0.063 0.000 0.932 494 T CB 0.736 69.600 68.868 -0.006 0.000 1.087 494 T HN 0.550 nan 8.240 nan 0.000 0.512 495 A N 0.361 123.110 122.820 -0.118 0.000 2.589 495 A HA 0.801 5.121 4.320 -0.000 0.000 0.296 495 A C 0.202 177.717 177.584 -0.115 0.000 1.062 495 A CA -0.825 51.144 52.037 -0.114 0.000 0.686 495 A CB 1.540 20.478 19.000 -0.103 0.000 1.282 495 A HN 0.082 nan 8.150 nan 0.000 0.404 496 R N -0.092 120.357 120.500 -0.086 0.000 2.507 496 R HA 0.321 4.661 4.340 -0.000 0.000 0.230 496 R C 0.102 176.467 176.300 0.109 0.000 0.897 496 R CA 1.293 57.380 56.100 -0.022 0.000 1.006 496 R CB 0.822 31.059 30.300 -0.104 0.000 1.341 496 R HN 0.815 nan 8.270 nan 0.000 0.604 497 T N -1.952 112.631 114.554 0.049 0.000 2.769 497 T HA 0.154 4.504 4.350 -0.000 0.000 0.306 497 T C -0.119 174.618 174.700 0.062 0.000 1.400 497 T CA -0.677 61.468 62.100 0.076 0.000 1.007 497 T CB 0.866 69.782 68.868 0.080 0.000 1.392 497 T HN 0.043 nan 8.240 nan 0.000 0.500 498 F N 2.463 122.381 119.950 -0.055 0.000 2.063 498 F HA -0.145 4.382 4.527 -0.000 0.000 0.298 498 F C 1.725 177.503 175.800 -0.036 0.000 1.105 498 F CA 2.376 60.334 58.000 -0.070 0.000 1.215 498 F CB 0.002 38.949 39.000 -0.089 0.000 0.972 498 F HN 0.660 nan 8.300 nan 0.000 0.483 499 N N -0.231 118.406 118.700 -0.104 0.000 2.314 499 N HA -0.023 4.717 4.740 -0.000 0.000 0.200 499 N C -0.747 174.677 175.510 -0.143 0.000 1.135 499 N CA -0.280 52.651 53.050 -0.198 0.000 0.835 499 N CB -0.041 38.440 38.487 -0.011 0.000 0.989 499 N HN 0.175 nan 8.380 nan 0.000 0.478 500 D N 0.296 120.620 120.400 -0.126 0.000 2.362 500 D HA 0.092 4.731 4.640 -0.000 0.000 0.242 500 D C 0.891 177.115 176.300 -0.127 0.000 1.132 500 D CA 0.097 54.036 54.000 -0.102 0.000 0.907 500 D CB 0.653 41.401 40.800 -0.088 0.000 1.195 500 D HN 0.127 nan 8.370 nan 0.000 0.429 501 G N 0.851 109.594 108.800 -0.094 0.000 2.469 501 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.229 501 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.229 501 G C 0.207 175.050 174.900 -0.094 0.000 1.222 501 G CA -0.324 44.725 45.100 -0.084 0.000 0.861 501 G HN 0.464 nan 8.290 nan 0.000 0.538 502 L N 2.756 123.933 121.223 -0.077 0.000 2.578 502 L HA 0.342 4.682 4.340 -0.000 0.000 0.279 502 L C 1.422 178.270 176.870 -0.037 0.000 1.227 502 L CA 1.483 56.290 54.840 -0.055 0.000 0.900 502 L CB 0.665 42.715 42.059 -0.014 0.000 1.144 502 L HN 0.519 nan 8.230 nan 0.000 0.496 503 G N 4.501 113.252 108.800 -0.082 0.000 2.599 503 G HA2 0.035 3.994 3.960 -0.000 0.000 0.210 503 G HA3 0.035 3.994 3.960 -0.000 0.000 0.210 503 G C -0.032 175.021 174.900 0.255 0.000 1.177 503 G CA -0.171 44.915 45.100 -0.024 0.000 0.835 503 G HN 0.443 nan 8.290 nan 0.000 0.575 504 F N 2.097 122.099 119.950 0.087 0.000 2.371 504 F HA 0.577 5.104 4.527 -0.000 0.000 0.363 504 F C 0.059 175.937 175.800 0.130 0.000 1.122 504 F CA -1.411 56.626 58.000 0.062 0.000 1.129 504 F CB 1.025 40.036 39.000 0.019 0.000 1.173 504 F HN -0.260 nan 8.300 nan 0.000 0.489 505 T N 5.424 120.132 114.554 0.256 0.000 2.807 505 T HA 0.757 5.107 4.350 -0.000 0.000 0.279 505 T C -0.290 174.475 174.700 0.109 0.000 0.993 505 T CA -0.410 61.799 62.100 0.182 0.000 0.970 505 T CB 1.205 70.148 68.868 0.125 0.000 0.950 505 T HN 0.311 nan 8.240 nan 0.000 0.441 506 I N 2.032 122.665 120.570 0.106 0.000 2.512 506 I HA 0.430 4.599 4.170 -0.000 0.000 0.287 506 I C 0.728 176.899 176.117 0.090 0.000 1.069 506 I CA -0.986 60.326 61.300 0.020 0.000 1.056 506 I CB 1.965 39.852 38.000 -0.188 0.000 1.229 506 I HN 0.720 nan 8.210 nan 0.000 0.429 507 G N 4.010 112.861 108.800 0.085 0.000 2.378 507 G HA2 0.348 4.308 3.960 -0.000 0.000 0.255 507 G HA3 0.348 4.308 3.960 -0.000 0.000 0.255 507 G C -0.033 174.961 174.900 0.156 0.000 1.270 507 G CA -0.223 44.951 45.100 0.123 0.000 0.876 507 G HN 0.742 nan 8.290 nan 0.000 0.521 508 E N 1.046 121.380 120.200 0.223 0.000 2.383 508 E HA 0.458 4.808 4.350 -0.000 0.000 0.264 508 E C 1.228 177.913 176.600 0.140 0.000 1.050 508 E CA 0.139 56.664 56.400 0.208 0.000 0.896 508 E CB 1.003 30.841 29.700 0.231 0.000 0.982 508 E HN 1.253 nan 8.360 nan 0.000 0.424 509 G N 2.159 111.005 108.800 0.077 0.000 2.225 509 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.254 509 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.254 509 G C 0.437 175.350 174.900 0.023 0.000 0.988 509 G CA 0.476 45.592 45.100 0.026 0.000 0.625 509 G HN 1.191 nan 8.290 nan 0.000 0.527 510 T N -1.083 113.521 114.554 0.083 0.000 2.882 510 T HA 0.594 4.944 4.350 -0.000 0.000 0.287 510 T C -0.013 174.747 174.700 0.100 0.000 1.014 510 T CA -0.095 62.085 62.100 0.133 0.000 1.049 510 T CB 1.541 70.492 68.868 0.138 0.000 1.001 510 T HN 0.378 nan 8.240 nan 0.000 0.525 511 H N 0.105 119.245 119.070 0.118 0.000 2.463 511 H HA 0.604 5.160 4.556 -0.000 0.000 0.332 511 H C -0.005 175.434 175.328 0.186 0.000 1.127 511 H CA -0.632 55.479 56.048 0.105 0.000 1.238 511 H CB 1.088 30.870 29.762 0.033 0.000 1.478 511 H HN 0.684 nan 8.280 nan 0.000 0.499 512 E N 1.320 121.725 120.200 0.342 0.000 2.317 512 E HA 0.179 4.529 4.350 -0.000 0.000 0.270 512 E C -0.964 175.791 176.600 0.258 0.000 0.885 512 E CA -1.016 55.592 56.400 0.348 0.000 0.760 512 E CB 2.827 32.852 29.700 0.541 0.000 1.227 512 E HN 0.489 nan 8.360 nan 0.000 0.434 513 Q N 2.533 122.436 119.800 0.171 0.000 2.303 513 Q HA 0.210 4.550 4.340 -0.000 0.000 0.257 513 Q C -1.475 174.726 176.000 0.336 0.000 0.941 513 Q CA -0.634 55.251 55.803 0.137 0.000 0.931 513 Q CB 0.712 29.466 28.738 0.027 0.000 1.215 513 Q HN 0.373 nan 8.270 nan 0.000 0.437 514 W N 2.392 123.591 121.300 -0.168 0.000 2.520 514 W HA 0.379 5.039 4.660 -0.000 0.000 0.323 514 W C -0.459 175.804 176.519 -0.427 0.000 1.062 514 W CA -0.727 56.387 57.345 -0.385 0.000 1.215 514 W CB 1.910 31.003 29.460 -0.612 0.000 1.340 514 W HN 0.414 nan 8.180 nan 0.000 0.516 515 T N 4.288 118.695 114.554 -0.245 0.000 2.770 515 T HA 0.451 4.801 4.350 -0.000 0.000 0.283 515 T C -0.868 173.628 174.700 -0.341 0.000 0.988 515 T CA -0.434 61.538 62.100 -0.213 0.000 0.957 515 T CB 0.113 68.914 68.868 -0.111 0.000 0.930 515 T HN -0.027 nan 8.240 nan 0.000 0.443 516 F N 3.380 123.341 119.950 0.018 0.000 2.371 516 F HA 0.442 4.969 4.527 -0.000 0.000 0.363 516 F C 0.140 175.925 175.800 -0.025 0.000 1.122 516 F CA -1.086 56.929 58.000 0.025 0.000 1.129 516 F CB 0.768 39.820 39.000 0.087 0.000 1.173 516 F HN 0.279 nan 8.300 nan 0.000 0.489 517 L N 5.321 126.573 121.223 0.047 0.000 2.321 517 L HA 0.414 4.753 4.340 -0.000 0.000 0.272 517 L C -0.420 176.390 176.870 -0.100 0.000 1.050 517 L CA -0.364 54.408 54.840 -0.113 0.000 0.893 517 L CB -0.007 41.878 42.059 -0.290 0.000 1.272 517 L HN 0.431 nan 8.230 nan 0.000 0.435 518 N N 4.173 122.861 118.700 -0.020 0.000 2.430 518 N HA 0.166 4.906 4.740 -0.000 0.000 0.265 518 N C 0.402 175.865 175.510 -0.078 0.000 1.100 518 N CA 0.033 53.078 53.050 -0.007 0.000 0.961 518 N CB 0.879 39.427 38.487 0.102 0.000 1.075 518 N HN 0.729 nan 8.380 nan 0.000 0.478 519 L N 1.303 122.427 121.223 -0.164 0.000 2.607 519 L HA 0.151 4.491 4.340 -0.000 0.000 0.228 519 L C 0.864 177.684 176.870 -0.082 0.000 1.123 519 L CA -0.093 54.636 54.840 -0.185 0.000 0.890 519 L CB -0.322 41.484 42.059 -0.422 0.000 1.103 519 L HN 0.482 nan 8.230 nan 0.000 0.468 520 S N -0.926 114.754 115.700 -0.033 0.000 2.766 520 S HA 0.529 4.999 4.470 -0.000 0.000 0.307 520 S C -2.318 172.296 174.600 0.023 0.000 1.121 520 S CA -1.240 56.965 58.200 0.008 0.000 0.980 520 S CB 1.683 64.898 63.200 0.026 0.000 1.159 520 S HN -0.167 nan 8.310 nan 0.000 0.546 521 P HA 0.389 nan 4.420 nan 0.000 0.258 521 P C -0.533 176.757 177.300 -0.017 0.000 1.416 521 P CA -0.030 63.076 63.100 0.009 0.000 0.927 521 P CB -0.302 31.403 31.700 0.008 0.000 1.444 522 I N 0.981 121.528 120.570 -0.037 0.000 2.315 522 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 522 I C 0.760 176.700 176.117 -0.295 0.000 1.006 522 I CA -1.061 60.162 61.300 -0.129 0.000 1.265 522 I CB 1.650 39.588 38.000 -0.103 0.000 1.387 522 I HN -0.131 nan 8.210 nan 0.000 0.475 523 L N 7.572 128.674 121.223 -0.202 0.000 2.418 523 L HA 0.161 4.501 4.340 -0.000 0.000 0.274 523 L C -0.491 176.232 176.870 -0.245 0.000 1.135 523 L CA 0.104 54.860 54.840 -0.140 0.000 0.870 523 L CB -0.145 41.899 42.059 -0.025 0.000 1.154 523 L HN 0.538 nan 8.230 nan 0.000 0.462 524 H N 5.408 124.544 119.070 0.111 0.000 2.539 524 H HA 0.339 4.895 4.556 -0.000 0.000 0.332 524 H C -2.344 173.042 175.328 0.098 0.000 1.031 524 H CA -2.274 53.850 56.048 0.128 0.000 1.206 524 H CB 1.466 31.299 29.762 0.118 0.000 1.446 524 H HN 0.408 nan 8.280 nan 0.000 0.496 525 P HA 0.092 nan 4.420 nan 0.000 0.274 525 P C -0.046 177.356 177.300 0.170 0.000 1.470 525 P CA -0.456 62.747 63.100 0.172 0.000 1.001 525 P CB 0.213 32.015 31.700 0.169 0.000 1.332 526 M N 3.298 122.932 119.600 0.057 0.000 2.185 526 M HA 0.236 4.716 4.480 -0.000 0.000 0.357 526 M C 0.159 176.461 176.300 0.003 0.000 1.260 526 M CA -0.210 55.055 55.300 -0.058 0.000 1.124 526 M CB -0.343 31.894 32.600 -0.606 0.000 1.600 526 M HN 0.408 nan 8.290 nan 0.000 0.467 527 H N 2.788 121.832 119.070 -0.043 0.000 2.667 527 H HA 0.689 5.245 4.556 -0.000 0.000 0.353 527 H C -1.706 173.682 175.328 0.100 0.000 1.072 527 H CA -0.553 55.458 56.048 -0.061 0.000 1.214 527 H CB 1.017 30.785 29.762 0.011 0.000 1.600 527 H HN 0.675 nan 8.280 nan 0.000 0.527 528 I N 5.189 125.450 120.570 -0.515 0.000 2.378 528 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 528 I C 0.461 176.462 176.117 -0.194 0.000 0.992 528 I CA -0.683 60.531 61.300 -0.144 0.000 1.154 528 I CB 1.349 39.258 38.000 -0.151 0.000 1.315 528 I HN 0.588 nan 8.210 nan 0.000 0.448 529 H N 4.548 123.642 119.070 0.041 0.000 2.730 529 H HA 0.155 4.711 4.556 -0.000 0.000 0.376 529 H C 0.844 176.266 175.328 0.157 0.000 1.299 529 H CA -0.189 55.937 56.048 0.130 0.000 1.447 529 H CB 1.185 31.112 29.762 0.275 0.000 1.493 529 H HN 0.673 nan 8.280 nan 0.000 0.619 530 L N -0.143 121.111 121.223 0.051 0.000 3.470 530 L HA -0.333 4.007 4.340 -0.000 0.000 0.128 530 L C 0.119 176.911 176.870 -0.130 0.000 4.405 530 L CA 2.213 56.932 54.840 -0.202 0.000 0.603 530 L CB -1.577 40.091 42.059 -0.652 0.000 3.528 530 L HN 0.726 nan 8.230 nan 0.000 0.821 531 A N 0.502 123.253 122.820 -0.116 0.000 2.304 531 A HA 0.544 4.863 4.320 -0.000 0.000 0.271 531 A C -0.299 177.123 177.584 -0.270 0.000 1.091 531 A CA 0.256 52.044 52.037 -0.415 0.000 0.812 531 A CB 0.125 18.451 19.000 -1.124 0.000 1.056 531 A HN 0.441 nan 8.150 nan 0.000 0.489 532 D N -0.064 120.092 120.400 -0.407 0.000 2.168 532 D HA 0.616 5.256 4.640 -0.000 0.000 0.246 532 D C -1.163 174.883 176.300 -0.424 0.000 1.050 532 D CA 0.527 54.446 54.000 -0.135 0.000 0.857 532 D CB 1.094 41.904 40.800 0.018 0.000 1.169 532 D HN 0.277 nan 8.370 nan 0.000 0.453 533 F N 0.471 120.518 119.950 0.162 0.000 2.579 533 F HA 0.366 4.893 4.527 -0.000 0.000 0.324 533 F C 0.531 176.452 175.800 0.202 0.000 1.058 533 F CA -0.797 57.285 58.000 0.138 0.000 0.944 533 F CB 1.563 40.695 39.000 0.220 0.000 1.245 533 F HN -0.011 nan 8.300 nan 0.000 0.477 534 Q N 0.651 120.615 119.800 0.273 0.000 2.377 534 Q HA 0.578 4.918 4.340 -0.000 0.000 0.271 534 Q C -1.323 174.735 176.000 0.097 0.000 1.077 534 Q CA -1.210 54.707 55.803 0.191 0.000 0.820 534 Q CB 3.004 31.808 28.738 0.111 0.000 1.347 534 Q HN 0.349 nan 8.270 nan 0.000 0.444 535 V N 3.675 123.636 119.914 0.080 0.000 2.508 535 V HA 0.007 4.126 4.120 -0.000 0.000 0.281 535 V C 0.922 177.027 176.094 0.018 0.000 1.041 535 V CA 0.510 62.812 62.300 0.004 0.000 1.016 535 V CB 0.433 32.285 31.823 0.048 0.000 0.984 535 V HN 0.761 nan 8.190 nan 0.000 0.478 536 L N 3.973 125.190 121.223 -0.010 0.000 2.316 536 L HA 0.489 4.829 4.340 -0.000 0.000 0.207 536 L C 1.074 177.939 176.870 -0.008 0.000 1.070 536 L CA 0.967 55.801 54.840 -0.009 0.000 0.820 536 L CB 0.144 42.180 42.059 -0.038 0.000 0.992 536 L HN 0.818 nan 8.230 nan 0.000 0.466 537 G N -0.498 108.300 108.800 -0.004 0.000 2.523 537 G HA2 0.565 4.525 3.960 -0.000 0.000 0.291 537 G HA3 0.565 4.525 3.960 -0.000 0.000 0.291 537 G C -1.622 173.297 174.900 0.033 0.000 1.450 537 G CA -0.735 44.372 45.100 0.011 0.000 0.790 537 G HN -0.118 nan 8.290 nan 0.000 0.496 538 R N 0.078 120.602 120.500 0.040 0.000 2.673 538 R HA 0.602 4.942 4.340 -0.000 0.000 0.281 538 R C -1.809 174.518 176.300 0.046 0.000 0.991 538 R CA -0.912 55.227 56.100 0.065 0.000 0.896 538 R CB 2.762 33.103 30.300 0.069 0.000 1.201 538 R HN 0.499 nan 8.270 nan 0.000 0.457 539 D N 1.014 121.456 120.400 0.070 0.000 2.934 539 D HA 0.291 4.930 4.640 -0.000 0.000 0.230 539 D C -0.885 175.395 176.300 -0.032 0.000 1.204 539 D CA -0.511 53.468 54.000 -0.035 0.000 0.873 539 D CB 2.398 43.121 40.800 -0.128 0.000 1.645 539 D HN 0.581 nan 8.370 nan 0.000 0.502 540 A N 2.098 124.857 122.820 -0.101 0.000 2.407 540 A HA 0.511 4.831 4.320 -0.000 0.000 0.248 540 A C -1.142 176.311 177.584 -0.218 0.000 1.082 540 A CA 0.190 52.201 52.037 -0.045 0.000 0.785 540 A CB 0.269 19.252 19.000 -0.029 0.000 1.020 540 A HN 0.520 nan 8.150 nan 0.000 0.489 541 Y N -0.544 119.770 120.300 0.024 0.000 2.570 541 Y HA 0.436 4.986 4.550 -0.000 0.000 0.345 541 Y C -0.285 175.631 175.900 0.027 0.000 1.014 541 Y CA -0.700 57.415 58.100 0.025 0.000 1.063 541 Y CB 2.067 40.540 38.460 0.022 0.000 1.272 541 Y HN 0.744 nan 8.280 nan 0.000 0.477 542 D N 0.974 121.486 120.400 0.186 0.000 2.412 542 D HA 0.464 5.104 4.640 -0.000 0.000 0.224 542 D C -0.109 176.283 176.300 0.154 0.000 1.093 542 D CA -0.227 53.852 54.000 0.132 0.000 0.850 542 D CB 1.418 42.270 40.800 0.087 0.000 1.046 542 D HN 0.628 nan 8.370 nan 0.000 0.507 543 A N 2.872 125.770 122.820 0.130 0.000 2.308 543 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 543 A C 1.974 179.641 177.584 0.138 0.000 1.216 543 A CA 0.524 52.630 52.037 0.116 0.000 0.864 543 A CB -0.444 18.591 19.000 0.058 0.000 0.902 543 A HN 0.597 nan 8.150 nan 0.000 0.499 544 S N -0.138 115.630 115.700 0.112 0.000 2.428 544 S HA -0.151 4.319 4.470 -0.000 0.000 0.240 544 S C 1.770 176.433 174.600 0.105 0.000 1.036 544 S CA 1.598 59.857 58.200 0.099 0.000 1.009 544 S CB -0.945 62.297 63.200 0.071 0.000 0.803 544 S HN 0.719 nan 8.310 nan 0.000 0.486 545 G N -0.154 108.718 108.800 0.121 0.000 2.776 545 G HA2 0.112 4.072 3.960 -0.000 0.000 0.209 545 G HA3 0.112 4.072 3.960 -0.000 0.000 0.209 545 G C 0.124 175.116 174.900 0.153 0.000 1.145 545 G CA -0.297 44.873 45.100 0.116 0.000 0.791 545 G HN 0.588 nan 8.290 nan 0.000 0.530 546 F N 1.829 121.798 119.950 0.032 0.000 2.421 546 F HA 0.353 4.880 4.527 -0.000 0.000 0.358 546 F C -0.379 175.435 175.800 0.024 0.000 1.115 546 F CA -1.371 56.644 58.000 0.026 0.000 1.160 546 F CB 0.997 39.995 39.000 -0.004 0.000 1.123 546 F HN -0.124 nan 8.300 nan 0.000 0.508 547 D N 6.516 126.596 120.400 -0.534 0.000 2.359 547 D HA 0.121 4.761 4.640 -0.000 0.000 0.230 547 D C 0.831 176.768 176.300 -0.605 0.000 1.118 547 D CA -0.275 53.486 54.000 -0.399 0.000 0.844 547 D CB 1.227 41.900 40.800 -0.212 0.000 1.059 547 D HN 0.532 nan 8.370 nan 0.000 0.493 548 L N 4.171 125.168 121.223 -0.376 0.000 2.042 548 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 548 L C 2.537 179.316 176.870 -0.151 0.000 1.076 548 L CA 1.758 56.451 54.840 -0.245 0.000 0.749 548 L CB -0.994 41.045 42.059 -0.033 0.000 0.893 548 L HN 0.573 nan 8.230 nan 0.000 0.432 549 A N -0.875 121.877 122.820 -0.113 0.000 1.972 549 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 549 A C 2.270 179.822 177.584 -0.053 0.000 1.169 549 A CA 1.916 53.919 52.037 -0.056 0.000 0.635 549 A CB -0.712 18.262 19.000 -0.044 0.000 0.810 549 A HN 0.382 nan 8.150 nan 0.000 0.446 550 L N -1.172 119.990 121.223 -0.102 0.000 2.307 550 L HA 0.326 4.666 4.340 -0.000 0.000 0.211 550 L C 1.447 178.297 176.870 -0.033 0.000 1.099 550 L CA 1.639 56.437 54.840 -0.070 0.000 0.816 550 L CB -0.394 41.609 42.059 -0.092 0.000 0.952 550 L HN 0.684 nan 8.230 nan 0.000 0.455 551 G N -0.465 108.277 108.800 -0.097 0.000 2.273 551 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.280 551 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.280 551 G C 0.391 175.427 174.900 0.226 0.000 1.047 551 G CA 0.360 45.540 45.100 0.133 0.000 0.869 551 G HN 0.989 nan 8.290 nan 0.000 0.502 552 G N -1.737 106.965 108.800 -0.164 0.000 2.649 552 G HA2 0.876 4.835 3.960 -0.000 0.000 0.290 552 G HA3 0.876 4.835 3.960 -0.000 0.000 0.290 552 G C -0.268 174.616 174.900 -0.026 0.000 1.426 552 G CA 0.533 45.702 45.100 0.114 0.000 0.794 552 G HN 1.289 nan 8.290 nan 0.000 0.483 553 T N -1.003 113.678 114.554 0.211 0.000 2.856 553 T HA 0.421 4.770 4.350 -0.000 0.000 0.292 553 T C 1.107 175.851 174.700 0.074 0.000 0.980 553 T CA -0.536 61.663 62.100 0.165 0.000 1.091 553 T CB 2.273 71.277 68.868 0.226 0.000 0.936 553 T HN 0.523 nan 8.240 nan 0.000 0.503 554 R N 1.544 122.068 120.500 0.041 0.000 2.048 554 R HA 0.099 4.439 4.340 -0.000 0.000 0.224 554 R C 0.954 177.283 176.300 0.049 0.000 1.163 554 R CA 0.941 57.060 56.100 0.031 0.000 0.956 554 R CB -0.456 29.852 30.300 0.012 0.000 0.849 554 R HN 0.825 nan 8.270 nan 0.000 0.435 555 T N 0.554 115.143 114.554 0.059 0.000 2.925 555 T HA 0.428 4.777 4.350 -0.000 0.000 0.285 555 T C -2.650 172.107 174.700 0.095 0.000 1.021 555 T CA -2.411 59.729 62.100 0.067 0.000 1.042 555 T CB 2.048 70.951 68.868 0.057 0.000 1.037 555 T HN -0.159 nan 8.240 nan 0.000 0.481 556 P HA 0.162 nan 4.420 nan 0.000 0.269 556 P C -0.391 176.989 177.300 0.134 0.000 1.217 556 P CA -0.525 62.647 63.100 0.119 0.000 0.783 556 P CB 0.290 32.054 31.700 0.107 0.000 0.898 557 V N 3.602 123.606 119.914 0.150 0.000 2.572 557 V HA 0.092 4.212 4.120 -0.000 0.000 0.291 557 V C 0.994 177.220 176.094 0.219 0.000 1.039 557 V CA 0.421 62.818 62.300 0.162 0.000 1.055 557 V CB -0.215 31.660 31.823 0.087 0.000 0.969 557 V HN 0.431 nan 8.190 nan 0.000 0.482 558 R N 4.048 124.689 120.500 0.234 0.000 2.445 558 R HA 0.453 4.793 4.340 -0.000 0.000 0.308 558 R C -0.670 175.731 176.300 0.168 0.000 0.961 558 R CA -0.901 55.311 56.100 0.187 0.000 0.862 558 R CB 1.494 31.855 30.300 0.101 0.000 1.144 558 R HN 0.700 nan 8.270 nan 0.000 0.447 559 L N 3.501 124.745 121.223 0.036 0.000 2.513 559 L HA -0.004 4.336 4.340 -0.000 0.000 0.272 559 L C -0.079 176.663 176.870 -0.213 0.000 1.187 559 L CA 0.445 55.066 54.840 -0.365 0.000 0.895 559 L CB 0.421 42.297 42.059 -0.306 0.000 1.147 559 L HN 0.551 nan 8.230 nan 0.000 0.483 560 D N 7.057 127.299 120.400 -0.262 0.000 2.557 560 D HA 0.244 4.884 4.640 -0.000 0.000 0.236 560 D C -1.881 174.348 176.300 -0.118 0.000 1.154 560 D CA -2.068 51.856 54.000 -0.126 0.000 0.985 560 D CB 0.872 41.626 40.800 -0.077 0.000 1.010 560 D HN 0.262 nan 8.370 nan 0.000 0.516 561 P HA 0.102 nan 4.420 nan 0.000 0.256 561 P C -0.061 177.210 177.300 -0.048 0.000 1.335 561 P CA 0.231 63.284 63.100 -0.078 0.000 0.808 561 P CB 0.108 31.771 31.700 -0.062 0.000 1.305 562 D N -2.954 117.422 120.400 -0.040 0.000 2.469 562 D HA 0.032 4.672 4.640 -0.000 0.000 0.215 562 D C -0.267 176.021 176.300 -0.021 0.000 1.154 562 D CA -0.104 53.881 54.000 -0.025 0.000 0.832 562 D CB -0.691 40.099 40.800 -0.016 0.000 1.008 562 D HN -0.207 nan 8.370 nan 0.000 0.506 563 T N 3.513 118.050 114.554 -0.028 0.000 3.145 563 T HA 0.359 4.709 4.350 -0.000 0.000 0.362 563 T C -2.535 172.150 174.700 -0.024 0.000 1.340 563 T CA -1.170 60.918 62.100 -0.020 0.000 1.069 563 T CB 1.303 70.162 68.868 -0.015 0.000 1.129 563 T HN 0.105 nan 8.240 nan 0.000 0.585 564 P HA 0.286 nan 4.420 nan 0.000 0.272 564 P C -0.757 176.540 177.300 -0.005 0.000 1.223 564 P CA -0.383 62.708 63.100 -0.016 0.000 0.784 564 P CB 1.017 32.712 31.700 -0.010 0.000 0.923 565 V N 4.234 124.148 119.914 -0.000 0.000 2.305 565 V HA 0.252 4.372 4.120 -0.000 0.000 0.275 565 V C -1.945 174.162 176.094 0.021 0.000 1.020 565 V CA -1.565 60.745 62.300 0.016 0.000 0.811 565 V CB 0.936 32.775 31.823 0.028 0.000 1.031 565 V HN 0.595 nan 8.190 nan 0.000 0.439 566 P HA 0.345 nan 4.420 nan 0.000 0.277 566 P C -0.284 177.037 177.300 0.034 0.000 1.240 566 P CA -0.430 62.684 63.100 0.023 0.000 0.798 566 P CB 1.072 32.784 31.700 0.019 0.000 0.979 567 L N 0.910 122.154 121.223 0.036 0.000 2.456 567 L HA 0.268 4.608 4.340 -0.000 0.000 0.272 567 L C 1.120 178.019 176.870 0.049 0.000 1.189 567 L CA -0.704 54.164 54.840 0.047 0.000 0.846 567 L CB 0.046 42.133 42.059 0.046 0.000 1.111 567 L HN 0.463 nan 8.230 nan 0.000 0.475 568 A N 4.475 127.333 122.820 0.064 0.000 2.511 568 A HA 0.247 4.567 4.320 -0.000 0.000 0.242 568 A C -1.440 176.176 177.584 0.054 0.000 1.069 568 A CA -1.026 51.050 52.037 0.065 0.000 0.763 568 A CB -0.112 18.945 19.000 0.095 0.000 1.001 568 A HN 0.637 nan 8.150 nan 0.000 0.498 569 P HA -0.131 nan 4.420 nan 0.000 0.223 569 P C 0.509 177.825 177.300 0.027 0.000 1.144 569 P CA 1.404 64.518 63.100 0.024 0.000 0.783 569 P CB -0.006 31.699 31.700 0.008 0.000 0.771 570 N N -0.534 118.199 118.700 0.055 0.000 2.230 570 N HA -0.043 4.697 4.740 -0.000 0.000 0.202 570 N C 0.631 176.182 175.510 0.068 0.000 1.119 570 N CA 0.015 53.104 53.050 0.065 0.000 0.851 570 N CB -0.752 37.808 38.487 0.122 0.000 0.990 570 N HN 0.296 nan 8.380 nan 0.000 0.497 571 E N 0.446 120.692 120.200 0.076 0.000 2.496 571 E HA 0.155 4.505 4.350 -0.000 0.000 0.202 571 E C 0.224 176.873 176.600 0.082 0.000 1.021 571 E CA -0.282 56.177 56.400 0.098 0.000 1.015 571 E CB -0.264 29.520 29.700 0.140 0.000 1.102 571 E HN 0.241 nan 8.360 nan 0.000 0.452 572 L N 0.276 121.516 121.223 0.028 0.000 2.607 572 L HA 0.342 4.682 4.340 -0.000 0.000 0.228 572 L C 1.188 178.039 176.870 -0.032 0.000 1.123 572 L CA -0.035 54.816 54.840 0.018 0.000 0.890 572 L CB 0.338 42.389 42.059 -0.014 0.000 1.103 572 L HN 0.259 nan 8.230 nan 0.000 0.468 573 G N -1.388 107.371 108.800 -0.069 0.000 2.945 573 G HA2 0.250 4.210 3.960 -0.000 0.000 0.156 573 G HA3 0.250 4.210 3.960 -0.000 0.000 0.156 573 G C -0.996 173.948 174.900 0.073 0.000 1.375 573 G CA -0.511 44.488 45.100 -0.169 0.000 1.039 573 G HN 0.195 nan 8.290 nan 0.000 0.586 574 H N 0.519 119.748 119.070 0.266 0.000 2.604 574 H HA 0.472 5.028 4.556 -0.000 0.000 0.306 574 H C -0.091 175.379 175.328 0.238 0.000 1.075 574 H CA -0.157 56.060 56.048 0.281 0.000 1.357 574 H CB 1.238 31.161 29.762 0.269 0.000 1.426 574 H HN 0.005 nan 8.280 nan 0.000 0.470 575 K N 2.040 122.702 120.400 0.437 0.000 2.385 575 K HA 0.153 4.473 4.320 -0.000 0.000 0.248 575 K C -0.293 176.500 176.600 0.321 0.000 0.955 575 K CA -0.723 55.766 56.287 0.337 0.000 0.816 575 K CB 2.170 34.917 32.500 0.411 0.000 1.250 575 K HN 0.798 nan 8.250 nan 0.000 0.434 576 D N -1.798 118.597 120.400 -0.007 0.000 2.525 576 D HA 0.112 4.752 4.640 -0.000 0.000 0.231 576 D C -0.400 175.663 176.300 -0.396 0.000 1.216 576 D CA -0.066 53.888 54.000 -0.077 0.000 0.813 576 D CB 0.550 41.506 40.800 0.261 0.000 1.108 576 D HN 0.048 nan 8.370 nan 0.000 0.524 577 V N 1.185 120.723 119.914 -0.626 0.000 2.525 577 V HA 0.530 4.650 4.120 -0.000 0.000 0.299 577 V C -1.465 174.288 176.094 -0.567 0.000 1.034 577 V CA -0.755 61.244 62.300 -0.502 0.000 0.863 577 V CB 1.323 33.066 31.823 -0.134 0.000 0.999 577 V HN 0.011 nan 8.190 nan 0.000 0.423 578 F N 1.890 121.874 119.950 0.057 0.000 2.493 578 F HA 0.545 5.072 4.527 -0.000 0.000 0.329 578 F C 0.406 176.223 175.800 0.028 0.000 1.126 578 F CA -0.895 57.126 58.000 0.035 0.000 0.937 578 F CB 1.541 40.544 39.000 0.005 0.000 1.146 578 F HN 0.383 nan 8.300 nan 0.000 0.442 579 Q N 1.956 121.888 119.800 0.221 0.000 2.297 579 Q HA 0.387 4.727 4.340 -0.000 0.000 0.267 579 Q C -0.761 175.334 176.000 0.158 0.000 1.006 579 Q CA -0.204 55.698 55.803 0.165 0.000 0.896 579 Q CB 1.586 30.413 28.738 0.148 0.000 1.186 579 Q HN 0.491 nan 8.270 nan 0.000 0.392 580 V N 6.044 126.039 119.914 0.135 0.000 2.289 580 V HA 0.237 4.357 4.120 -0.000 0.000 0.272 580 V C -2.181 173.984 176.094 0.120 0.000 1.026 580 V CA -1.859 60.520 62.300 0.133 0.000 0.807 580 V CB 0.805 32.704 31.823 0.125 0.000 1.044 580 V HN 0.647 nan 8.190 nan 0.000 0.443 581 P HA 0.146 nan 4.420 nan 0.000 0.271 581 P C 0.975 178.319 177.300 0.073 0.000 1.244 581 P CA 0.390 63.531 63.100 0.069 0.000 0.793 581 P CB 0.551 32.291 31.700 0.067 0.000 0.984 582 G N 1.483 110.311 108.800 0.046 0.000 2.221 582 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.536 582 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.536 582 G C -1.844 173.097 174.900 0.068 0.000 1.308 582 G CA -0.437 44.690 45.100 0.045 0.000 1.227 582 G HN 0.472 nan 8.290 nan 0.000 0.674 583 P HA -0.056 nan 4.420 nan 0.000 0.238 583 P C -0.320 177.069 177.300 0.148 0.000 1.090 583 P CA 1.254 64.405 63.100 0.085 0.000 0.944 583 P CB -0.022 31.728 31.700 0.085 0.000 0.881 584 Q N 1.789 121.692 119.800 0.172 0.000 2.736 584 Q HA 0.520 4.860 4.340 -0.000 0.000 0.273 584 Q C -1.449 174.690 176.000 0.231 0.000 0.948 584 Q CA -0.769 55.193 55.803 0.266 0.000 0.854 584 Q CB 1.498 30.337 28.738 0.169 0.000 1.569 584 Q HN 0.445 nan 8.270 nan 0.000 0.405 585 G N 1.360 110.380 108.800 0.367 0.000 2.461 585 G HA2 0.617 4.576 3.960 -0.000 0.000 0.323 585 G HA3 0.617 4.576 3.960 -0.000 0.000 0.323 585 G C -1.777 173.247 174.900 0.206 0.000 1.229 585 G CA -0.391 44.863 45.100 0.256 0.000 0.941 585 G HN 0.382 nan 8.290 nan 0.000 0.477 586 L N 1.553 122.883 121.223 0.178 0.000 2.356 586 L HA 0.698 5.038 4.340 -0.000 0.000 0.277 586 L C -0.142 176.790 176.870 0.103 0.000 0.996 586 L CA -0.909 54.020 54.840 0.149 0.000 0.822 586 L CB 1.554 43.722 42.059 0.182 0.000 1.256 586 L HN 0.503 nan 8.230 nan 0.000 0.413 587 R N 3.847 124.372 120.500 0.041 0.000 2.294 587 R HA 0.769 5.108 4.340 -0.000 0.000 0.319 587 R C -1.369 174.894 176.300 -0.061 0.000 0.984 587 R CA -0.645 55.451 56.100 -0.007 0.000 0.861 587 R CB 2.055 32.351 30.300 -0.007 0.000 1.104 587 R HN 0.544 nan 8.270 nan 0.000 0.451 588 V N 4.612 124.467 119.914 -0.098 0.000 2.789 588 V HA 0.556 4.676 4.120 -0.000 0.000 0.311 588 V C -1.033 175.054 176.094 -0.011 0.000 1.073 588 V CA -0.760 61.439 62.300 -0.167 0.000 0.921 588 V CB 2.231 33.728 31.823 -0.544 0.000 1.009 588 V HN 0.744 nan 8.190 nan 0.000 0.426 589 M N 4.181 123.832 119.600 0.085 0.000 2.457 589 M HA 0.832 5.312 4.480 -0.000 0.000 0.300 589 M C -0.485 175.845 176.300 0.050 0.000 1.141 589 M CA -0.318 55.033 55.300 0.084 0.000 0.901 589 M CB 2.206 34.780 32.600 -0.043 0.000 1.687 589 M HN 0.855 nan 8.290 nan 0.000 0.449 590 G N 2.469 111.151 108.800 -0.196 0.000 2.704 590 G HA2 0.422 4.382 3.960 -0.000 0.000 0.293 590 G HA3 0.422 4.382 3.960 -0.000 0.000 0.293 590 G C -2.304 172.196 174.900 -0.667 0.000 1.421 590 G CA -0.723 43.882 45.100 -0.824 0.000 0.870 590 G HN 0.690 nan 8.290 nan 0.000 0.492 591 K N 0.576 120.512 120.400 -0.773 0.000 2.211 591 K HA 0.524 4.844 4.320 -0.000 0.000 0.275 591 K C -1.044 175.127 176.600 -0.715 0.000 1.024 591 K CA -0.635 55.199 56.287 -0.756 0.000 0.887 591 K CB 0.569 32.623 32.500 -0.744 0.000 1.084 591 K HN 0.231 nan 8.250 nan 0.000 0.463 592 F N 3.468 123.217 119.950 -0.335 0.000 2.406 592 F HA 0.180 4.707 4.527 -0.000 0.000 0.358 592 F C -0.073 175.635 175.800 -0.154 0.000 1.161 592 F CA -0.403 57.473 58.000 -0.206 0.000 1.185 592 F CB 0.627 39.579 39.000 -0.079 0.000 1.421 592 F HN 0.488 nan 8.300 nan 0.000 0.576 593 D N 0.993 121.339 120.400 -0.090 0.000 2.629 593 D HA 0.528 5.167 4.640 -0.000 0.000 0.250 593 D C 0.523 176.763 176.300 -0.100 0.000 1.126 593 D CA 0.139 54.076 54.000 -0.104 0.000 0.852 593 D CB 1.650 42.357 40.800 -0.155 0.000 1.335 593 D HN 0.598 nan 8.370 nan 0.000 0.518 594 G N 1.661 110.384 108.800 -0.128 0.000 2.141 594 G HA2 0.210 4.170 3.960 -0.000 0.000 0.231 594 G HA3 0.210 4.170 3.960 -0.000 0.000 0.231 594 G C 0.246 175.038 174.900 -0.180 0.000 0.984 594 G CA 0.185 45.208 45.100 -0.127 0.000 0.660 594 G HN 1.002 nan 8.290 nan 0.000 0.525 595 A N -1.524 121.117 122.820 -0.298 0.000 2.586 595 A HA 0.862 5.181 4.320 -0.000 0.000 0.290 595 A C -1.265 176.092 177.584 -0.379 0.000 1.086 595 A CA -0.714 51.151 52.037 -0.287 0.000 0.665 595 A CB 0.921 19.953 19.000 0.053 0.000 1.279 595 A HN 1.072 nan 8.150 nan 0.000 0.423 596 Y N -0.609 119.866 120.300 0.291 0.000 2.602 596 Y HA 0.829 5.378 4.550 -0.000 0.000 0.342 596 Y C 0.918 176.983 175.900 0.275 0.000 1.029 596 Y CA 0.070 58.345 58.100 0.291 0.000 1.080 596 Y CB 2.115 40.664 38.460 0.147 0.000 1.284 596 Y HN 1.971 nan 8.280 nan 0.000 0.485 597 G N 0.706 109.733 108.800 0.379 0.000 2.280 597 G HA2 0.054 4.014 3.960 -0.000 0.000 0.277 597 G HA3 0.054 4.014 3.960 -0.000 0.000 0.277 597 G C -1.735 173.041 174.900 -0.206 0.000 1.288 597 G CA -1.333 43.738 45.100 -0.050 0.000 1.075 597 G HN 0.618 nan 8.290 nan 0.000 0.480 598 R N -0.069 120.123 120.500 -0.514 0.000 2.229 598 R HA 0.726 5.066 4.340 -0.000 0.000 0.328 598 R C -0.590 175.291 176.300 -0.698 0.000 1.009 598 R CA -0.220 55.585 56.100 -0.491 0.000 0.864 598 R CB 0.183 30.115 30.300 -0.613 0.000 1.085 598 R HN 0.333 nan 8.270 nan 0.000 0.453 599 F N 2.238 121.967 119.950 -0.368 0.000 2.846 599 F HA 0.606 5.133 4.527 -0.000 0.000 0.388 599 F C -0.131 175.435 175.800 -0.391 0.000 1.259 599 F CA -1.095 56.636 58.000 -0.449 0.000 1.118 599 F CB 0.935 39.429 39.000 -0.843 0.000 1.512 599 F HN 0.251 nan 8.300 nan 0.000 0.502 600 M N 0.157 119.589 119.600 -0.279 0.000 2.550 600 M HA 0.433 4.912 4.480 -0.000 0.000 0.292 600 M C -1.780 174.757 176.300 0.396 0.000 1.221 600 M CA -0.611 54.630 55.300 -0.097 0.000 0.873 600 M CB 2.288 34.542 32.600 -0.576 0.000 1.727 600 M HN 0.468 nan 8.290 nan 0.000 0.459 601 Y N 0.104 120.714 120.300 0.517 0.000 2.581 601 Y HA 0.944 5.493 4.550 -0.000 0.000 0.345 601 Y C -1.151 175.023 175.900 0.457 0.000 1.036 601 Y CA -0.896 57.493 58.100 0.483 0.000 1.042 601 Y CB 1.279 40.149 38.460 0.683 0.000 1.289 601 Y HN 0.929 nan 8.280 nan 0.000 0.471 602 H N -0.838 118.482 119.070 0.416 0.000 2.883 602 H HA 0.374 4.930 4.556 -0.000 0.000 0.266 602 H C -1.772 173.721 175.328 0.275 0.000 1.446 602 H CA -1.516 54.667 56.048 0.225 0.000 1.179 602 H CB 0.315 30.139 29.762 0.103 0.000 1.806 602 H HN 1.116 nan 8.280 nan 0.000 0.467 603 C N 1.487 120.999 119.300 0.354 0.000 2.601 603 C HA 0.210 4.670 4.460 -0.000 0.000 0.409 603 C C 0.995 176.266 174.990 0.469 0.000 1.293 603 C CA -0.101 59.115 59.018 0.331 0.000 2.101 603 C CB -0.602 27.313 27.740 0.292 0.000 2.639 603 C HN 0.971 nan 8.230 nan 0.000 0.592 604 H N 4.557 123.808 119.070 0.303 0.000 2.507 604 H HA 0.280 4.836 4.556 -0.000 0.000 0.294 604 H C -0.098 175.316 175.328 0.143 0.000 1.064 604 H CA 0.133 56.347 56.048 0.276 0.000 1.138 604 H CB 0.043 29.953 29.762 0.246 0.000 1.515 604 H HN 0.583 nan 8.280 nan 0.000 0.547 605 L N 2.103 123.443 121.223 0.196 0.000 2.325 605 L HA 0.066 4.405 4.340 -0.000 0.000 0.284 605 L C 1.559 178.375 176.870 -0.090 0.000 1.089 605 L CA -0.205 54.636 54.840 0.003 0.000 0.836 605 L CB 1.230 43.212 42.059 -0.128 0.000 1.184 605 L HN 0.180 nan 8.230 nan 0.000 0.444 606 L N 1.935 123.072 121.223 -0.144 0.000 2.131 606 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 606 L C 1.970 178.696 176.870 -0.241 0.000 1.092 606 L CA 1.157 55.861 54.840 -0.227 0.000 0.759 606 L CB -0.168 41.741 42.059 -0.251 0.000 0.903 606 L HN 0.678 nan 8.230 nan 0.000 0.435 607 E N -0.731 119.337 120.200 -0.220 0.000 2.106 607 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 607 E C 2.007 178.575 176.600 -0.053 0.000 0.984 607 E CA 1.089 57.383 56.400 -0.177 0.000 0.806 607 E CB -0.204 29.421 29.700 -0.125 0.000 0.750 607 E HN 0.568 nan 8.360 nan 0.000 0.458 608 H N -0.405 118.645 119.070 -0.033 0.000 2.363 608 H HA -0.013 4.543 4.556 -0.000 0.000 0.301 608 H C 2.051 177.338 175.328 -0.069 0.000 1.074 608 H CA 0.955 57.002 56.048 -0.001 0.000 1.354 608 H CB 0.198 30.018 29.762 0.096 0.000 1.397 608 H HN 0.170 nan 8.280 nan 0.000 0.516 609 E N 0.904 121.112 120.200 0.014 0.000 2.058 609 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 609 E C 1.197 177.656 176.600 -0.235 0.000 0.997 609 E CA 1.543 57.853 56.400 -0.149 0.000 0.801 609 E CB 0.102 29.628 29.700 -0.290 0.000 0.746 609 E HN 0.392 nan 8.360 nan 0.000 0.450 610 D N -0.494 119.762 120.400 -0.240 0.000 2.312 610 D HA -0.036 4.604 4.640 -0.000 0.000 0.211 610 D C 0.730 176.911 176.300 -0.198 0.000 0.964 610 D CA 0.787 54.631 54.000 -0.260 0.000 0.877 610 D CB 0.149 40.750 40.800 -0.331 0.000 0.924 610 D HN 0.277 nan 8.370 nan 0.000 0.515 611 M N -0.904 118.601 119.600 -0.157 0.000 2.989 611 M HA 0.284 4.764 4.480 -0.000 0.000 0.307 611 M C 0.846 177.056 176.300 -0.150 0.000 1.224 611 M CA -0.185 55.005 55.300 -0.184 0.000 0.984 611 M CB 1.095 33.535 32.600 -0.266 0.000 1.264 611 M HN 0.041 nan 8.290 nan 0.000 0.525 612 G N 0.946 109.680 108.800 -0.110 0.000 2.234 612 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.235 612 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.235 612 G C 0.386 175.289 174.900 0.005 0.000 0.997 612 G CA -0.298 44.781 45.100 -0.034 0.000 0.623 612 G HN 0.513 nan 8.290 nan 0.000 0.514 613 M N 1.062 120.656 119.600 -0.010 0.000 3.705 613 M HA 0.619 5.099 4.480 -0.000 0.000 0.191 613 M C 0.219 176.543 176.300 0.039 0.000 1.570 613 M CA 0.639 55.954 55.300 0.025 0.000 1.714 613 M CB -0.397 32.225 32.600 0.036 0.000 1.148 613 M HN 0.472 nan 8.290 nan 0.000 0.547 614 M N 0.913 120.530 119.600 0.029 0.000 2.562 614 M HA 0.515 4.995 4.480 -0.000 0.000 0.281 614 M C -1.821 174.559 176.300 0.134 0.000 1.195 614 M CA -0.725 54.593 55.300 0.031 0.000 0.888 614 M CB 1.839 34.334 32.600 -0.176 0.000 1.731 614 M HN 0.165 nan 8.290 nan 0.000 0.493 615 R N 2.558 123.045 120.500 -0.023 0.000 2.643 615 R HA 0.630 4.970 4.340 -0.000 0.000 0.269 615 R C -3.005 173.305 176.300 0.017 0.000 1.037 615 R CA -1.488 54.524 56.100 -0.147 0.000 0.894 615 R CB 2.240 32.165 30.300 -0.626 0.000 1.238 615 R HN 0.418 nan 8.270 nan 0.000 0.459 616 P HA 0.405 nan 4.420 nan 0.000 0.279 616 P C -0.920 176.615 177.300 0.392 0.000 1.252 616 P CA -0.264 62.968 63.100 0.220 0.000 0.811 616 P CB 0.553 32.303 31.700 0.083 0.000 1.035 617 F N -1.023 119.150 119.950 0.371 0.000 2.613 617 F HA 0.708 5.235 4.527 -0.000 0.000 0.310 617 F C -1.725 174.277 175.800 0.336 0.000 1.085 617 F CA -1.413 56.823 58.000 0.394 0.000 0.945 617 F CB 1.130 40.497 39.000 0.611 0.000 1.298 617 F HN -0.013 nan 8.300 nan 0.000 0.455 618 V N 3.066 123.258 119.914 0.463 0.000 2.448 618 V HA 0.606 4.726 4.120 -0.000 0.000 0.295 618 V C -0.769 175.556 176.094 0.385 0.000 1.025 618 V CA -0.821 61.660 62.300 0.302 0.000 0.859 618 V CB 1.625 33.537 31.823 0.148 0.000 0.988 618 V HN 0.771 nan 8.190 nan 0.000 0.431 619 V N 6.789 126.959 119.914 0.428 0.000 2.409 619 V HA 0.649 4.769 4.120 -0.000 0.000 0.291 619 V C -0.083 176.251 176.094 0.401 0.000 1.020 619 V CA -0.361 62.187 62.300 0.412 0.000 0.848 619 V CB 1.412 33.532 31.823 0.495 0.000 0.990 619 V HN 0.977 nan 8.190 nan 0.000 0.430 620 M N 4.602 124.392 119.600 0.317 0.000 2.631 620 M HA 0.788 5.268 4.480 -0.000 0.000 0.288 620 M C -3.089 173.328 176.300 0.195 0.000 1.260 620 M CA -2.276 53.160 55.300 0.226 0.000 0.842 620 M CB 2.359 35.011 32.600 0.087 0.000 1.743 620 M HN 0.186 nan 8.290 nan 0.000 0.461 621 P HA 0.172 nan 4.420 nan 0.000 0.265 621 P C -2.204 175.139 177.300 0.072 0.000 1.193 621 P CA -0.670 62.456 63.100 0.044 0.000 0.765 621 P CB -0.188 31.433 31.700 -0.131 0.000 0.823 622 P HA -0.228 nan 4.420 nan 0.000 0.217 622 P C 1.063 178.383 177.300 0.034 0.000 1.151 622 P CA 1.648 64.786 63.100 0.063 0.000 0.849 622 P CB 0.014 31.753 31.700 0.065 0.000 0.787 623 E N -0.729 119.499 120.200 0.046 0.000 2.106 623 E HA -0.077 4.272 4.350 -0.000 0.000 0.192 623 E C 2.114 178.782 176.600 0.113 0.000 0.984 623 E CA 1.358 57.792 56.400 0.057 0.000 0.806 623 E CB -1.019 28.729 29.700 0.080 0.000 0.750 623 E HN 0.173 nan 8.360 nan 0.000 0.458 624 A N 0.376 123.264 122.820 0.114 0.000 2.014 624 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 624 A C 2.019 179.699 177.584 0.159 0.000 1.163 624 A CA 0.629 52.781 52.037 0.193 0.000 0.652 624 A CB -0.422 18.616 19.000 0.064 0.000 0.808 624 A HN 0.212 nan 8.150 nan 0.000 0.449 625 L N -0.095 121.164 121.223 0.060 0.000 2.127 625 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 625 L C 2.079 178.912 176.870 -0.063 0.000 1.089 625 L CA 1.674 56.526 54.840 0.020 0.000 0.757 625 L CB -0.343 41.727 42.059 0.018 0.000 0.899 625 L HN 0.188 nan 8.230 nan 0.000 0.434 626 K N -0.969 119.312 120.400 -0.197 0.000 2.281 626 K HA -0.138 4.182 4.320 -0.000 0.000 0.203 626 K C 1.596 177.864 176.600 -0.553 0.000 1.046 626 K CA 1.322 57.349 56.287 -0.435 0.000 0.938 626 K CB -0.421 31.669 32.500 -0.683 0.000 0.737 626 K HN 0.337 nan 8.250 nan 0.000 0.458 627 F N 0.093 120.041 119.950 -0.004 0.000 2.695 627 F HA 0.185 4.712 4.527 -0.000 0.000 0.303 627 F C 0.104 175.900 175.800 -0.006 0.000 1.091 627 F CA -0.430 57.566 58.000 -0.007 0.000 1.300 627 F CB 0.385 39.377 39.000 -0.013 0.000 1.071 627 F HN -0.084 nan 8.300 nan 0.000 0.578 628 D N 0.000 120.454 120.400 0.090 0.000 6.856 628 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 628 D CA 0.000 54.034 54.000 0.056 0.000 0.868 628 D CB 0.000 40.840 40.800 0.066 0.000 0.688 628 D HN 0.000 nan 8.370 nan 0.000 0.683