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_J 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 0.000 177.609 177.584 0.042 0.000 1.274 37 A CA 0.000 52.063 52.037 0.043 0.000 0.836 37 A CB 0.000 19.036 19.000 0.060 0.000 0.831 38 P HA 0.301 nan 4.420 nan 0.000 0.257 38 P C 1.107 178.430 177.300 0.039 0.000 1.162 38 P CA 2.487 65.606 63.100 0.031 0.000 0.762 38 P CB 0.274 31.989 31.700 0.026 0.000 0.753 39 G N 1.945 110.764 108.800 0.032 0.000 2.141 39 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.242 39 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.242 39 G C -0.044 174.881 174.900 0.041 0.000 0.982 39 G CA -0.340 44.780 45.100 0.034 0.000 0.662 39 G HN 0.549 nan 8.290 nan 0.000 0.527 40 E N -0.380 119.844 120.200 0.039 0.000 2.202 40 E HA 0.612 4.962 4.350 -0.000 0.000 0.272 40 E C 0.630 177.211 176.600 -0.032 0.000 0.951 40 E CA -0.924 55.497 56.400 0.035 0.000 0.813 40 E CB 1.351 31.096 29.700 0.076 0.000 1.151 40 E HN 0.278 nan 8.360 nan 0.000 0.398 41 L N 1.639 122.800 121.223 -0.102 0.000 2.426 41 L HA 0.159 4.498 4.340 -0.000 0.000 0.271 41 L C 0.414 177.258 176.870 -0.044 0.000 1.169 41 L CA -0.049 54.651 54.840 -0.233 0.000 0.836 41 L CB 0.308 41.974 42.059 -0.655 0.000 1.112 41 L HN 0.451 nan 8.230 nan 0.000 0.465 42 T N 3.933 118.507 114.554 0.034 0.000 2.749 42 T HA 0.256 4.606 4.350 -0.000 0.000 0.295 42 T C -2.219 172.580 174.700 0.165 0.000 0.936 42 T CA -0.976 61.172 62.100 0.080 0.000 1.060 42 T CB 0.825 69.759 68.868 0.109 0.000 0.904 42 T HN 0.378 nan 8.240 nan 0.000 0.500 43 P HA 0.256 nan 4.420 nan 0.000 0.274 43 P C -0.181 176.870 177.300 -0.416 0.000 1.231 43 P CA -0.488 62.372 63.100 -0.400 0.000 0.790 43 P CB 0.069 30.975 31.700 -1.323 0.000 0.951 44 F N -1.563 118.563 119.950 0.293 0.000 3.080 44 F HA -0.201 4.325 4.527 -0.001 0.000 0.292 44 F C 1.296 177.271 175.800 0.292 0.000 0.891 44 F CA 0.443 58.602 58.000 0.265 0.000 1.086 44 F CB -2.911 36.194 39.000 0.176 0.000 1.095 44 F HN 0.400 nan 8.300 nan 0.000 0.633 45 A N -1.099 121.884 122.820 0.271 0.000 2.081 45 A HA 0.649 4.968 4.320 -0.000 0.000 0.214 45 A C 1.390 179.072 177.584 0.164 0.000 1.158 45 A CA 0.968 53.098 52.037 0.155 0.000 0.724 45 A CB 0.081 19.061 19.000 -0.034 0.000 0.826 45 A HN 1.130 nan 8.150 nan 0.000 0.463 46 A N 0.058 122.909 122.820 0.053 0.000 2.413 46 A HA 0.720 5.040 4.320 -0.000 0.000 0.307 46 A C -3.079 174.202 177.584 -0.504 0.000 1.087 46 A CA -2.032 49.932 52.037 -0.121 0.000 0.750 46 A CB 1.162 20.050 19.000 -0.186 0.000 1.296 46 A HN 0.075 nan 8.150 nan 0.000 0.423 47 P HA 0.317 nan 4.420 nan 0.000 0.278 47 P C -0.322 176.711 177.300 -0.445 0.000 1.238 47 P CA -0.364 62.168 63.100 -0.945 0.000 0.794 47 P CB 0.759 32.136 31.700 -0.540 0.000 0.955 48 L N 3.002 124.001 121.223 -0.374 0.000 2.514 48 L HA 0.188 4.528 4.340 -0.000 0.000 0.280 48 L C 0.414 177.213 176.870 -0.120 0.000 1.223 48 L CA 1.108 55.836 54.840 -0.187 0.000 0.864 48 L CB -0.159 41.811 42.059 -0.149 0.000 1.118 48 L HN 0.575 nan 8.230 nan 0.000 0.494 49 T N 2.513 117.024 114.554 -0.072 0.000 2.950 49 T HA 0.785 5.135 4.350 -0.000 0.000 0.288 49 T C -0.273 174.421 174.700 -0.009 0.000 1.035 49 T CA -0.289 61.789 62.100 -0.036 0.000 1.028 49 T CB 1.607 70.456 68.868 -0.030 0.000 1.109 49 T HN 0.796 nan 8.240 nan 0.000 0.514 50 V N -1.865 118.053 119.914 0.008 0.000 2.769 50 V HA 0.778 4.898 4.120 -0.000 0.000 0.312 50 V C -2.956 173.153 176.094 0.024 0.000 1.061 50 V CA -2.694 59.620 62.300 0.023 0.000 0.931 50 V CB 0.681 32.526 31.823 0.038 0.000 1.010 50 V HN 0.793 nan 8.190 nan 0.000 0.433 51 P HA 0.322 nan 4.420 nan 0.000 0.269 51 P C -2.645 174.680 177.300 0.042 0.000 1.215 51 P CA -0.696 62.426 63.100 0.037 0.000 0.780 51 P CB -0.327 31.402 31.700 0.049 0.000 0.898 52 P HA 0.005 nan 4.420 nan 0.000 0.269 52 P C -0.706 176.618 177.300 0.039 0.000 1.209 52 P CA 0.165 63.287 63.100 0.037 0.000 0.776 52 P CB 0.299 32.021 31.700 0.036 0.000 0.876 53 V N 3.799 123.727 119.914 0.024 0.000 2.461 53 V HA 0.154 4.273 4.120 -0.000 0.000 0.275 53 V C 0.444 176.535 176.094 -0.004 0.000 1.047 53 V CA -0.277 62.031 62.300 0.012 0.000 0.955 53 V CB 0.787 32.612 31.823 0.002 0.000 0.988 53 V HN 0.384 nan 8.190 nan 0.000 0.471 54 L N 6.887 128.100 121.223 -0.018 0.000 2.313 54 L HA 0.582 4.922 4.340 -0.000 0.000 0.283 54 L C -0.034 176.789 176.870 -0.078 0.000 1.013 54 L CA -0.162 54.652 54.840 -0.043 0.000 0.816 54 L CB 1.403 43.434 42.059 -0.047 0.000 1.236 54 L HN 0.553 nan 8.230 nan 0.000 0.419 55 R N 6.406 126.863 120.500 -0.071 0.000 2.312 55 R HA 0.395 4.734 4.340 -0.000 0.000 0.310 55 R C -1.790 174.464 176.300 -0.077 0.000 1.064 55 R CA -1.260 54.791 56.100 -0.082 0.000 0.983 55 R CB 0.934 31.197 30.300 -0.061 0.000 1.139 55 R HN 0.556 nan 8.270 nan 0.000 0.536 56 P HA 0.062 nan 4.420 nan 0.000 0.251 56 P C 0.061 177.331 177.300 -0.050 0.000 1.223 56 P CA 0.144 63.198 63.100 -0.078 0.000 0.796 56 P CB 0.482 32.125 31.700 -0.095 0.000 1.068 57 A N 1.015 123.809 122.820 -0.043 0.000 2.511 57 A HA 0.429 4.749 4.320 -0.000 0.000 0.242 57 A C 0.659 178.231 177.584 -0.021 0.000 1.069 57 A CA 0.372 52.396 52.037 -0.021 0.000 0.763 57 A CB -0.200 18.790 19.000 -0.016 0.000 1.001 57 A HN 0.364 nan 8.150 nan 0.000 0.498 58 S N 0.480 116.172 115.700 -0.013 0.000 2.685 58 S HA 0.511 4.980 4.470 -0.000 0.000 0.282 58 S C -0.234 174.361 174.600 -0.008 0.000 1.159 58 S CA -0.478 57.714 58.200 -0.014 0.000 0.833 58 S CB 1.349 64.537 63.200 -0.020 0.000 1.151 58 S HN 0.503 nan 8.310 nan 0.000 0.485 59 D N 0.584 120.979 120.400 -0.008 0.000 2.323 59 D HA 0.093 4.732 4.640 -0.000 0.000 0.209 59 D C -0.072 176.225 176.300 -0.005 0.000 0.973 59 D CA 0.752 54.749 54.000 -0.005 0.000 0.874 59 D CB 0.035 40.832 40.800 -0.005 0.000 0.930 59 D HN 0.661 nan 8.370 nan 0.000 0.521 60 E N 1.173 121.367 120.200 -0.009 0.000 1.936 60 E HA 0.086 4.436 4.350 -0.000 0.000 0.267 60 E C 0.922 177.515 176.600 -0.011 0.000 1.076 60 E CA -0.250 56.144 56.400 -0.010 0.000 0.870 60 E CB 1.726 31.418 29.700 -0.013 0.000 1.093 60 E HN -0.167 nan 8.360 nan 0.000 0.411 61 V N 3.508 123.418 119.914 -0.007 0.000 2.594 61 V HA -0.235 3.885 4.120 -0.000 0.000 0.253 61 V C 2.056 178.140 176.094 -0.016 0.000 1.069 61 V CA 2.643 64.939 62.300 -0.006 0.000 1.082 61 V CB -0.294 31.530 31.823 0.002 0.000 0.680 61 V HN 0.784 nan 8.190 nan 0.000 0.469 62 T N -1.978 112.567 114.554 -0.016 0.000 3.113 62 T HA -0.069 4.281 4.350 -0.000 0.000 0.263 62 T C 1.225 175.908 174.700 -0.028 0.000 1.143 62 T CA 0.263 62.350 62.100 -0.022 0.000 1.090 62 T CB -0.430 68.427 68.868 -0.018 0.000 0.922 62 T HN 0.436 nan 8.240 nan 0.000 0.521 63 R N 2.124 122.607 120.500 -0.028 0.000 2.248 63 R HA 0.236 4.575 4.340 -0.000 0.000 0.337 63 R C -0.353 175.918 176.300 -0.047 0.000 1.106 63 R CA -0.236 55.843 56.100 -0.035 0.000 0.959 63 R CB 0.228 30.510 30.300 -0.030 0.000 1.075 63 R HN 0.539 nan 8.270 nan 0.000 0.480 64 E N 1.358 121.523 120.200 -0.059 0.000 2.392 64 E HA 0.037 4.387 4.350 -0.000 0.000 0.259 64 E C -0.393 176.150 176.600 -0.095 0.000 1.108 64 E CA 0.133 56.483 56.400 -0.083 0.000 0.916 64 E CB 0.856 30.498 29.700 -0.097 0.000 0.989 64 E HN 0.350 nan 8.360 nan 0.000 0.432 65 T N 1.890 116.368 114.554 -0.127 0.000 2.744 65 T HA 0.086 4.436 4.350 -0.000 0.000 0.291 65 T C -0.201 174.385 174.700 -0.189 0.000 0.957 65 T CA -0.442 61.574 62.100 -0.141 0.000 1.002 65 T CB 0.677 69.451 68.868 -0.156 0.000 0.919 65 T HN 0.391 nan 8.240 nan 0.000 0.468 66 E N 3.968 124.081 120.200 -0.145 0.000 2.290 66 E HA 0.260 4.610 4.350 -0.000 0.000 0.277 66 E C -0.775 175.735 176.600 -0.150 0.000 1.035 66 E CA -0.321 55.992 56.400 -0.144 0.000 0.873 66 E CB 0.439 30.088 29.700 -0.085 0.000 1.029 66 E HN 0.545 nan 8.360 nan 0.000 0.419 67 I N 4.147 124.604 120.570 -0.188 0.000 2.382 67 I HA 0.347 4.517 4.170 -0.000 0.000 0.285 67 I C -0.322 175.851 176.117 0.094 0.000 1.007 67 I CA -0.707 60.546 61.300 -0.079 0.000 1.142 67 I CB 1.564 39.428 38.000 -0.226 0.000 1.289 67 I HN 0.515 nan 8.210 nan 0.000 0.453 68 A N 7.437 130.318 122.820 0.102 0.000 2.276 68 A HA 0.694 5.014 4.320 -0.000 0.000 0.316 68 A C -0.621 177.035 177.584 0.119 0.000 1.229 68 A CA -0.504 51.586 52.037 0.088 0.000 0.851 68 A CB 0.519 19.539 19.000 0.034 0.000 1.165 68 A HN 0.606 nan 8.150 nan 0.000 0.513 69 L N 3.622 124.894 121.223 0.082 0.000 2.361 69 L HA 0.374 4.713 4.340 -0.000 0.000 0.278 69 L C 0.713 177.536 176.870 -0.079 0.000 1.113 69 L CA 0.908 55.734 54.840 -0.022 0.000 0.849 69 L CB 0.212 42.206 42.059 -0.108 0.000 1.155 69 L HN 0.733 nan 8.230 nan 0.000 0.452 70 R N 3.544 124.007 120.500 -0.061 0.000 2.795 70 R HA 0.597 4.937 4.340 -0.000 0.000 0.275 70 R C -2.684 173.589 176.300 -0.044 0.000 0.981 70 R CA -2.141 53.926 56.100 -0.054 0.000 0.917 70 R CB 1.174 31.485 30.300 0.018 0.000 1.202 70 R HN 0.226 nan 8.270 nan 0.000 0.469 71 P HA 0.064 nan 4.420 nan 0.000 0.269 71 P C -0.538 176.790 177.300 0.047 0.000 1.209 71 P CA 0.037 63.191 63.100 0.090 0.000 0.776 71 P CB 0.870 32.627 31.700 0.096 0.000 0.876 72 T N 1.418 115.953 114.554 -0.030 0.000 2.932 72 T HA 0.514 4.864 4.350 -0.000 0.000 0.318 72 T C -2.099 172.491 174.700 -0.184 0.000 1.265 72 T CA -0.562 61.531 62.100 -0.012 0.000 1.036 72 T CB 0.425 69.315 68.868 0.037 0.000 1.209 72 T HN 0.142 nan 8.240 nan 0.000 0.484 73 W N 3.170 124.492 121.300 0.036 0.000 2.349 73 W HA 0.667 5.326 4.660 -0.001 0.000 0.309 73 W C -0.547 175.976 176.519 0.007 0.000 1.083 73 W CA -0.521 56.834 57.345 0.016 0.000 1.224 73 W CB 1.510 30.976 29.460 0.011 0.000 1.256 73 W HN 0.405 nan 8.180 nan 0.000 0.461 74 V N 4.176 124.183 119.914 0.155 0.000 2.555 74 V HA 0.426 4.545 4.120 -0.000 0.000 0.302 74 V C -0.236 175.914 176.094 0.092 0.000 1.038 74 V CA -1.287 61.065 62.300 0.086 0.000 0.887 74 V CB 1.823 33.657 31.823 0.018 0.000 0.991 74 V HN 0.269 nan 8.190 nan 0.000 0.434 75 R N 3.559 124.096 120.500 0.061 0.000 2.296 75 R HA 0.408 4.748 4.340 -0.000 0.000 0.327 75 R C 0.655 176.957 176.300 0.002 0.000 1.137 75 R CA 0.002 56.124 56.100 0.036 0.000 1.020 75 R CB -0.005 30.306 30.300 0.019 0.000 1.110 75 R HN 0.761 nan 8.270 nan 0.000 0.499 76 L N 1.819 123.040 121.223 -0.004 0.000 2.201 76 L HA 0.001 4.341 4.340 -0.000 0.000 0.212 76 L C 0.640 177.509 176.870 -0.001 0.000 1.105 76 L CA 0.895 55.717 54.840 -0.031 0.000 0.775 76 L CB -0.168 41.845 42.059 -0.076 0.000 0.913 76 L HN 0.627 nan 8.230 nan 0.000 0.440 77 H N -2.362 116.643 119.070 -0.108 0.000 3.139 77 H HA 0.100 4.656 4.556 -0.000 0.000 0.325 77 H C -2.366 172.921 175.328 -0.068 0.000 1.146 77 H CA -0.973 55.011 56.048 -0.108 0.000 1.351 77 H CB 2.017 31.668 29.762 -0.184 0.000 2.005 77 H HN -0.324 nan 8.280 nan 0.000 0.517 78 P HA -0.117 nan 4.420 nan 0.000 0.217 78 P C 0.818 178.154 177.300 0.060 0.000 1.148 78 P CA 1.422 64.459 63.100 -0.105 0.000 0.828 78 P CB 0.276 31.870 31.700 -0.176 0.000 0.783 79 Q N -1.449 118.532 119.800 0.302 0.000 2.444 79 Q HA 0.124 4.464 4.340 -0.000 0.000 0.206 79 Q C 0.431 176.475 176.000 0.073 0.000 0.948 79 Q CA 0.132 56.048 55.803 0.187 0.000 0.946 79 Q CB -0.081 28.763 28.738 0.177 0.000 1.027 79 Q HN 0.313 nan 8.270 nan 0.000 0.513 80 L N 1.304 122.568 121.223 0.068 0.000 2.322 80 L HA 0.488 4.828 4.340 -0.000 0.000 0.269 80 L C -2.139 174.739 176.870 0.014 0.000 1.012 80 L CA -2.528 52.312 54.840 0.000 0.000 0.815 80 L CB 1.236 43.273 42.059 -0.038 0.000 1.295 80 L HN -0.094 nan 8.230 nan 0.000 0.438 81 P HA 0.213 nan 4.420 nan 0.000 0.272 81 P C -2.699 174.642 177.300 0.068 0.000 1.240 81 P CA -1.453 61.663 63.100 0.026 0.000 0.791 81 P CB -0.358 31.358 31.700 0.026 0.000 0.978 82 P HA 0.121 nan 4.420 nan 0.000 0.267 82 P C -0.395 177.131 177.300 0.377 0.000 1.200 82 P CA 0.589 63.826 63.100 0.228 0.000 0.772 82 P CB 0.043 31.888 31.700 0.243 0.000 0.855 83 T N 2.908 117.628 114.554 0.276 0.000 2.807 83 T HA 0.351 4.700 4.350 -0.000 0.000 0.279 83 T C -0.339 174.243 174.700 -0.197 0.000 0.993 83 T CA -0.488 61.657 62.100 0.075 0.000 0.970 83 T CB 0.535 69.391 68.868 -0.021 0.000 0.950 83 T HN 0.170 nan 8.240 nan 0.000 0.441 84 L N 5.100 125.955 121.223 -0.613 0.000 2.410 84 L HA 0.516 4.856 4.340 -0.000 0.000 0.273 84 L C -0.525 175.992 176.870 -0.588 0.000 1.144 84 L CA 0.698 54.883 54.840 -1.092 0.000 0.863 84 L CB -0.388 40.969 42.059 -1.170 0.000 1.140 84 L HN 0.668 nan 8.230 nan 0.000 0.463 85 M N 3.580 122.902 119.600 -0.464 0.000 2.719 85 M HA 0.406 4.886 4.480 -0.000 0.000 0.291 85 M C -1.531 174.746 176.300 -0.040 0.000 1.264 85 M CA -0.620 54.511 55.300 -0.282 0.000 0.811 85 M CB 2.118 34.631 32.600 -0.146 0.000 1.756 85 M HN 0.391 nan 8.290 nan 0.000 0.464 86 W N 0.766 121.942 121.300 -0.206 0.000 2.471 86 W HA 0.695 5.355 4.660 0.000 0.000 0.318 86 W C -0.216 176.207 176.519 -0.160 0.000 1.034 86 W CA -1.175 56.065 57.345 -0.175 0.000 1.224 86 W CB 1.381 30.735 29.460 -0.177 0.000 1.335 86 W HN 0.657 nan 8.180 nan 0.000 0.452 87 G N 2.434 111.275 108.800 0.068 0.000 2.590 87 G HA2 0.498 4.457 3.960 -0.000 0.000 0.310 87 G HA3 0.498 4.457 3.960 -0.000 0.000 0.310 87 G C -1.749 173.172 174.900 0.035 0.000 1.347 87 G CA -0.718 44.397 45.100 0.026 0.000 0.963 87 G HN 0.177 nan 8.290 nan 0.000 0.494 88 Y N 1.609 122.014 120.300 0.176 0.000 2.721 88 Y HA 0.016 4.566 4.550 -0.001 0.000 0.329 88 Y C 1.083 177.073 175.900 0.149 0.000 1.211 88 Y CA 0.806 59.039 58.100 0.221 0.000 1.512 88 Y CB 0.385 39.081 38.460 0.393 0.000 1.249 88 Y HN 0.652 nan 8.280 nan 0.000 0.549 89 D N 2.062 122.612 120.400 0.251 0.000 2.792 89 D HA -0.204 4.436 4.640 -0.000 0.000 0.231 89 D C 1.279 177.646 176.300 0.112 0.000 1.160 89 D CA 1.695 55.781 54.000 0.143 0.000 0.697 89 D CB -1.280 39.594 40.800 0.123 0.000 1.070 89 D HN 1.095 nan 8.370 nan 0.000 0.426 90 G N -0.853 108.009 108.800 0.102 0.000 2.203 90 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.263 90 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.263 90 G C -0.004 174.942 174.900 0.078 0.000 1.012 90 G CA 0.475 45.622 45.100 0.079 0.000 0.749 90 G HN 0.395 nan 8.290 nan 0.000 0.512 91 Q N -0.669 119.188 119.800 0.095 0.000 2.337 91 Q HA 0.669 5.009 4.340 -0.000 0.000 0.266 91 Q C -0.375 175.650 176.000 0.042 0.000 1.023 91 Q CA -0.689 55.157 55.803 0.073 0.000 0.829 91 Q CB 2.652 31.446 28.738 0.093 0.000 1.306 91 Q HN 0.311 nan 8.270 nan 0.000 0.449 92 V N 3.806 123.715 119.914 -0.008 0.000 2.443 92 V HA 0.347 4.467 4.120 -0.000 0.000 0.293 92 V C -2.222 173.801 176.094 -0.119 0.000 1.021 92 V CA -1.744 60.498 62.300 -0.097 0.000 0.848 92 V CB 1.790 33.574 31.823 -0.064 0.000 0.998 92 V HN 0.600 nan 8.190 nan 0.000 0.424 93 P HA 0.225 nan 4.420 nan 0.000 0.271 93 P C 0.579 177.813 177.300 -0.109 0.000 1.233 93 P CA 0.186 63.034 63.100 -0.420 0.000 0.789 93 P CB 0.535 31.996 31.700 -0.398 0.000 0.951 94 G N 1.496 110.309 108.800 0.021 0.000 2.750 94 G HA2 0.204 4.164 3.960 -0.000 0.000 0.250 94 G HA3 0.204 4.164 3.960 -0.000 0.000 0.250 94 G C -2.400 172.645 174.900 0.242 0.000 1.230 94 G CA -0.805 44.468 45.100 0.288 0.000 0.883 94 G HN 0.349 nan 8.290 nan 0.000 0.573 95 P HA 0.091 nan 4.420 nan 0.000 0.265 95 P C 0.152 177.598 177.300 0.243 0.000 1.187 95 P CA 0.268 63.483 63.100 0.192 0.000 0.766 95 P CB 0.349 32.131 31.700 0.137 0.000 0.820 96 T N 4.463 119.108 114.554 0.151 0.000 2.751 96 T HA 0.214 4.563 4.350 -0.000 0.000 0.290 96 T C 0.682 175.429 174.700 0.078 0.000 0.919 96 T CA 0.089 62.277 62.100 0.146 0.000 1.136 96 T CB -0.632 68.289 68.868 0.087 0.000 0.875 96 T HN 0.199 nan 8.240 nan 0.000 0.532 97 I N 3.447 124.063 120.570 0.076 0.000 2.441 97 I HA 0.257 4.427 4.170 -0.000 0.000 0.287 97 I C 0.731 176.682 176.117 -0.276 0.000 1.049 97 I CA -0.156 61.045 61.300 -0.164 0.000 1.381 97 I CB 0.838 38.639 38.000 -0.332 0.000 1.409 97 I HN 0.553 nan 8.210 nan 0.000 0.523 98 E N 6.450 126.496 120.200 -0.256 0.000 2.224 98 E HA 0.588 4.938 4.350 -0.000 0.000 0.265 98 E C -1.422 175.039 176.600 -0.232 0.000 0.878 98 E CA -0.637 55.630 56.400 -0.221 0.000 0.759 98 E CB 2.068 31.701 29.700 -0.112 0.000 1.164 98 E HN 0.457 nan 8.360 nan 0.000 0.414 99 V N 0.992 120.764 119.914 -0.236 0.000 3.102 99 V HA 0.692 4.811 4.120 -0.000 0.000 0.312 99 V C -0.719 175.325 176.094 -0.084 0.000 1.135 99 V CA -1.090 61.122 62.300 -0.147 0.000 1.022 99 V CB 1.970 33.713 31.823 -0.133 0.000 1.056 99 V HN 0.622 nan 8.190 nan 0.000 0.436 100 R N 0.852 121.327 120.500 -0.041 0.000 2.598 100 R HA 0.518 4.858 4.340 -0.000 0.000 0.279 100 R C -0.039 176.262 176.300 0.003 0.000 0.984 100 R CA -0.920 55.166 56.100 -0.024 0.000 0.999 100 R CB 1.525 31.815 30.300 -0.017 0.000 1.114 100 R HN 0.861 nan 8.270 nan 0.000 0.493 101 R N 0.609 121.109 120.500 0.000 0.000 2.504 101 R HA -0.074 4.266 4.340 -0.000 0.000 0.291 101 R C 0.553 176.878 176.300 0.042 0.000 0.974 101 R CA 1.719 57.834 56.100 0.026 0.000 1.077 101 R CB -0.051 30.256 30.300 0.012 0.000 0.926 101 R HN 0.949 nan 8.270 nan 0.000 0.407 102 G N 2.887 111.732 108.800 0.074 0.000 2.195 102 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.246 102 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.246 102 G C -0.243 174.697 174.900 0.067 0.000 0.984 102 G CA 0.132 45.274 45.100 0.070 0.000 0.633 102 G HN 0.651 nan 8.290 nan 0.000 0.525 103 Q N 0.742 120.581 119.800 0.066 0.000 2.324 103 Q HA 0.362 4.702 4.340 -0.000 0.000 0.257 103 Q C 0.571 176.628 176.000 0.094 0.000 1.080 103 Q CA -0.330 55.508 55.803 0.060 0.000 0.907 103 Q CB 0.904 29.664 28.738 0.036 0.000 1.274 103 Q HN 0.427 nan 8.270 nan 0.000 0.434 104 R N 2.437 122.988 120.500 0.085 0.000 2.401 104 R HA 0.252 4.592 4.340 -0.000 0.000 0.299 104 R C -0.539 175.815 176.300 0.091 0.000 1.064 104 R CA -0.152 56.008 56.100 0.101 0.000 1.000 104 R CB 0.476 30.818 30.300 0.071 0.000 0.973 104 R HN 0.514 nan 8.270 nan 0.000 0.438 105 V N 1.653 121.646 119.914 0.133 0.000 2.925 105 V HA 0.645 4.765 4.120 -0.000 0.000 0.311 105 V C -0.950 175.189 176.094 0.076 0.000 1.104 105 V CA -1.127 61.235 62.300 0.103 0.000 0.954 105 V CB 2.204 34.104 31.823 0.127 0.000 1.022 105 V HN 0.795 nan 8.190 nan 0.000 0.427 106 R N 3.536 124.035 120.500 -0.002 0.000 2.494 106 R HA 0.781 5.121 4.340 -0.000 0.000 0.305 106 R C -1.319 174.909 176.300 -0.120 0.000 0.959 106 R CA -0.579 55.477 56.100 -0.075 0.000 0.864 106 R CB 2.305 32.560 30.300 -0.075 0.000 1.159 106 R HN 0.784 nan 8.270 nan 0.000 0.446 107 I N 1.427 121.876 120.570 -0.201 0.000 2.509 107 I HA 0.378 4.547 4.170 -0.000 0.000 0.293 107 I C -0.208 175.656 176.117 -0.421 0.000 1.020 107 I CA -0.635 60.434 61.300 -0.386 0.000 1.088 107 I CB 2.222 39.835 38.000 -0.644 0.000 1.267 107 I HN 0.645 nan 8.210 nan 0.000 0.430 108 A N 6.170 128.768 122.820 -0.369 0.000 2.444 108 A HA 0.378 4.698 4.320 -0.000 0.000 0.332 108 A C -1.298 176.142 177.584 -0.241 0.000 1.430 108 A CA -0.410 51.491 52.037 -0.227 0.000 0.975 108 A CB -0.413 18.509 19.000 -0.130 0.000 1.147 108 A HN 0.686 nan 8.150 nan 0.000 0.524 109 W N 2.607 123.912 121.300 0.008 0.000 2.745 109 W HA 0.317 4.977 4.660 0.000 0.000 0.370 109 W C 0.066 176.603 176.519 0.029 0.000 1.274 109 W CA 0.117 57.493 57.345 0.051 0.000 1.502 109 W CB 0.139 29.650 29.460 0.085 0.000 1.589 109 W HN 0.477 nan 8.180 nan 0.000 0.482 110 T N 3.379 118.035 114.554 0.171 0.000 2.772 110 T HA 0.061 4.410 4.350 -0.000 0.000 0.288 110 T C -0.113 174.605 174.700 0.031 0.000 0.994 110 T CA -0.828 61.304 62.100 0.054 0.000 0.951 110 T CB 0.541 69.402 68.868 -0.012 0.000 0.933 110 T HN 0.163 nan 8.240 nan 0.000 0.447 111 N N 3.028 121.721 118.700 -0.011 0.000 2.399 111 N HA 0.069 4.808 4.740 -0.000 0.000 0.259 111 N C 0.270 175.712 175.510 -0.113 0.000 1.160 111 N CA -0.254 52.768 53.050 -0.047 0.000 0.946 111 N CB 0.310 38.782 38.487 -0.024 0.000 1.156 111 N HN 0.463 nan 8.380 nan 0.000 0.489 112 R N 3.870 124.329 120.500 -0.068 0.000 2.748 112 R HA 0.287 4.627 4.340 -0.000 0.000 0.395 112 R C -0.330 176.053 176.300 0.138 0.000 1.128 112 R CA -0.367 55.729 56.100 -0.006 0.000 1.042 112 R CB 0.151 30.438 30.300 -0.021 0.000 1.392 112 R HN 0.495 nan 8.270 nan 0.000 0.582 113 I N 2.807 123.425 120.570 0.080 0.000 2.312 113 I HA 0.212 4.382 4.170 -0.000 0.000 0.291 113 I C -2.125 174.024 176.117 0.054 0.000 1.031 113 I CA -2.301 58.949 61.300 -0.084 0.000 1.293 113 I CB 1.130 38.767 38.000 -0.604 0.000 1.403 113 I HN -0.208 nan 8.210 nan 0.000 0.484 114 P HA 0.048 nan 4.420 nan 0.000 0.266 114 P C -0.736 176.324 177.300 -0.399 0.000 1.195 114 P CA -0.360 62.393 63.100 -0.578 0.000 0.768 114 P CB 0.403 31.900 31.700 -0.339 0.000 0.838 115 K N 1.749 121.833 120.400 -0.526 0.000 2.527 115 K HA 0.228 4.547 4.320 -0.000 0.000 0.278 115 K C 1.434 177.958 176.600 -0.125 0.000 0.981 115 K CA 1.403 57.560 56.287 -0.217 0.000 1.009 115 K CB -0.524 31.862 32.500 -0.189 0.000 0.895 115 K HN 0.824 nan 8.250 nan 0.000 0.493 116 G N 1.418 110.200 108.800 -0.030 0.000 2.176 116 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.253 116 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.253 116 G C 0.020 174.947 174.900 0.046 0.000 0.979 116 G CA 0.105 45.207 45.100 0.003 0.000 0.641 116 G HN 0.546 nan 8.290 nan 0.000 0.530 117 S N 0.608 116.351 115.700 0.071 0.000 2.552 117 S HA 0.363 4.833 4.470 -0.000 0.000 0.289 117 S C 0.527 175.252 174.600 0.209 0.000 1.304 117 S CA 0.353 58.643 58.200 0.151 0.000 1.063 117 S CB 1.302 64.624 63.200 0.205 0.000 0.848 117 S HN 0.693 nan 8.310 nan 0.000 0.499 118 E N 2.243 122.540 120.200 0.162 0.000 2.417 118 E HA -0.040 4.310 4.350 -0.000 0.000 0.261 118 E C -0.853 175.809 176.600 0.103 0.000 1.000 118 E CA -0.080 56.389 56.400 0.115 0.000 0.919 118 E CB 0.228 29.968 29.700 0.066 0.000 0.955 118 E HN 0.505 nan 8.360 nan 0.000 0.455 119 Y N 6.246 126.519 120.300 -0.045 0.000 2.526 119 Y HA 0.159 4.708 4.550 -0.001 0.000 0.330 119 Y C -1.760 173.912 175.900 -0.380 0.000 1.156 119 Y CA -1.892 56.069 58.100 -0.233 0.000 1.419 119 Y CB 1.065 39.400 38.460 -0.208 0.000 1.250 119 Y HN 0.639 nan 8.280 nan 0.000 0.540 120 P HA -0.011 nan 4.420 nan 0.000 0.231 120 P C -0.824 176.135 177.300 -0.569 0.000 1.168 120 P CA 0.766 63.353 63.100 -0.854 0.000 0.779 120 P CB 0.322 31.365 31.700 -1.095 0.000 0.844 121 V N 0.184 119.771 119.914 -0.546 0.000 2.370 121 V HA 0.223 4.342 4.120 -0.000 0.000 0.283 121 V C 0.326 176.382 176.094 -0.063 0.000 1.023 121 V CA -0.352 61.835 62.300 -0.189 0.000 0.857 121 V CB 1.331 33.121 31.823 -0.055 0.000 0.985 121 V HN -0.106 nan 8.190 nan 0.000 0.443 122 T N 3.808 118.334 114.554 -0.047 0.000 2.832 122 T HA 0.317 4.666 4.350 -0.000 0.000 0.296 122 T C 0.170 174.875 174.700 0.007 0.000 0.968 122 T CA 0.081 62.161 62.100 -0.033 0.000 1.107 122 T CB 1.114 69.980 68.868 -0.003 0.000 0.916 122 T HN 0.722 nan 8.240 nan 0.000 0.517 123 S N 2.686 118.352 115.700 -0.058 0.000 2.473 123 S HA 0.747 5.216 4.470 -0.000 0.000 0.307 123 S C -0.565 174.084 174.600 0.080 0.000 1.094 123 S CA -0.691 57.539 58.200 0.051 0.000 1.070 123 S CB 0.426 63.520 63.200 -0.178 0.000 1.019 123 S HN 0.683 nan 8.310 nan 0.000 0.480 124 V N 1.874 121.894 119.914 0.177 0.000 3.007 124 V HA 0.756 4.876 4.120 -0.000 0.000 0.311 124 V C -1.077 175.122 176.094 0.175 0.000 1.120 124 V CA -0.956 61.426 62.300 0.137 0.000 0.980 124 V CB 1.752 33.636 31.823 0.102 0.000 1.033 124 V HN 0.868 nan 8.190 nan 0.000 0.429 125 E N 1.385 121.667 120.200 0.136 0.000 2.222 125 E HA 0.795 5.144 4.350 -0.000 0.000 0.267 125 E C -1.542 175.111 176.600 0.088 0.000 0.884 125 E CA -0.788 55.688 56.400 0.127 0.000 0.764 125 E CB 2.766 32.546 29.700 0.133 0.000 1.169 125 E HN 0.598 nan 8.360 nan 0.000 0.413 126 V N 3.606 123.565 119.914 0.076 0.000 2.876 126 V HA 0.379 4.499 4.120 -0.000 0.000 0.312 126 V C -2.305 173.816 176.094 0.044 0.000 1.085 126 V CA -2.092 60.241 62.300 0.055 0.000 0.945 126 V CB 2.260 34.114 31.823 0.051 0.000 1.017 126 V HN 0.567 nan 8.190 nan 0.000 0.428 127 P HA 0.151 nan 4.420 nan 0.000 0.275 127 P C 0.551 177.863 177.300 0.020 0.000 1.270 127 P CA -0.297 62.820 63.100 0.027 0.000 0.791 127 P CB 0.636 32.349 31.700 0.022 0.000 1.089 128 L N -0.268 120.964 121.223 0.015 0.000 2.313 128 L HA 0.238 4.577 4.340 -0.000 0.000 0.214 128 L C 0.790 177.658 176.870 -0.004 0.000 1.119 128 L CA 1.707 56.551 54.840 0.007 0.000 0.809 128 L CB -1.349 40.714 42.059 0.007 0.000 0.933 128 L HN 0.700 nan 8.230 nan 0.000 0.449 129 G N -0.351 108.447 108.800 -0.003 0.000 2.750 129 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 129 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 129 G C -2.335 172.556 174.900 -0.014 0.000 1.395 129 G CA -0.521 44.574 45.100 -0.010 0.000 0.918 129 G HN 0.245 nan 8.290 nan 0.000 0.594 130 P HA 0.280 nan 4.420 nan 0.000 0.264 130 P C -2.003 175.284 177.300 -0.022 0.000 1.193 130 P CA -0.534 62.557 63.100 -0.016 0.000 0.763 130 P CB 0.125 31.816 31.700 -0.016 0.000 0.810 131 P HA 0.094 nan 4.420 nan 0.000 0.269 131 P C 0.988 178.271 177.300 -0.029 0.000 1.209 131 P CA 0.593 63.679 63.100 -0.025 0.000 0.776 131 P CB 0.309 31.997 31.700 -0.020 0.000 0.876 132 G N 0.789 109.567 108.800 -0.036 0.000 2.175 132 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.265 132 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.265 132 G C 0.286 175.160 174.900 -0.044 0.000 0.979 132 G CA 0.699 45.775 45.100 -0.040 0.000 0.663 132 G HN 0.899 nan 8.290 nan 0.000 0.533 133 T N -1.512 113.016 114.554 -0.044 0.000 2.918 133 T HA 0.686 5.036 4.350 -0.000 0.000 0.286 133 T C -2.482 172.181 174.700 -0.062 0.000 1.026 133 T CA -1.786 60.284 62.100 -0.050 0.000 1.031 133 T CB 2.619 71.463 68.868 -0.040 0.000 1.046 133 T HN 0.034 nan 8.240 nan 0.000 0.479 134 P HA 0.325 nan 4.420 nan 0.000 0.264 134 P C -0.051 177.197 177.300 -0.086 0.000 1.183 134 P CA -0.248 62.794 63.100 -0.096 0.000 0.763 134 P CB -0.043 31.589 31.700 -0.113 0.000 0.807 135 A N 6.014 128.776 122.820 -0.096 0.000 2.547 135 A HA 0.117 4.437 4.320 -0.000 0.000 0.233 135 A C -1.138 176.401 177.584 -0.074 0.000 1.067 135 A CA -0.549 51.439 52.037 -0.082 0.000 0.763 135 A CB -0.989 17.952 19.000 -0.097 0.000 1.007 135 A HN 0.446 nan 8.150 nan 0.000 0.506 136 P HA -0.131 nan 4.420 nan 0.000 0.223 136 P C 0.636 177.910 177.300 -0.043 0.000 1.144 136 P CA 1.402 64.482 63.100 -0.033 0.000 0.783 136 P CB -0.097 31.597 31.700 -0.010 0.000 0.771 137 N N -2.135 116.524 118.700 -0.068 0.000 2.515 137 N HA -0.024 4.716 4.740 -0.000 0.000 0.191 137 N C 0.776 176.205 175.510 -0.136 0.000 1.182 137 N CA 0.861 53.850 53.050 -0.101 0.000 0.879 137 N CB -1.451 36.962 38.487 -0.122 0.000 0.984 137 N HN -0.040 nan 8.380 nan 0.000 0.453 138 T N -0.482 113.995 114.554 -0.129 0.000 3.086 138 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 138 T C -0.275 174.339 174.700 -0.144 0.000 1.074 138 T CA 0.080 62.080 62.100 -0.167 0.000 0.988 138 T CB 0.237 69.001 68.868 -0.173 0.000 0.988 138 T HN 0.356 nan 8.240 nan 0.000 0.530 139 E N 1.665 121.821 120.200 -0.074 0.000 2.312 139 E HA 0.368 4.718 4.350 -0.000 0.000 0.267 139 E C -2.610 174.025 176.600 0.057 0.000 0.894 139 E CA -2.456 53.939 56.400 -0.008 0.000 0.773 139 E CB 2.102 31.805 29.700 0.004 0.000 1.241 139 E HN 0.021 nan 8.360 nan 0.000 0.432 140 P HA 0.217 nan 4.420 nan 0.000 0.277 140 P C 0.160 177.536 177.300 0.127 0.000 1.276 140 P CA 0.152 63.375 63.100 0.205 0.000 0.788 140 P CB 0.357 32.230 31.700 0.288 0.000 1.114 141 G N -0.035 108.836 108.800 0.117 0.000 2.781 141 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.683 141 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.683 141 G C 0.230 175.175 174.900 0.074 0.000 1.390 141 G CA -0.286 44.864 45.100 0.083 0.000 0.850 141 G HN 0.528 nan 8.290 nan 0.000 0.557 142 R N 0.771 121.307 120.500 0.060 0.000 2.334 142 R HA 0.423 4.762 4.340 -0.000 0.000 0.216 142 R C 2.214 178.541 176.300 0.045 0.000 0.905 142 R CA 1.555 57.688 56.100 0.056 0.000 1.064 142 R CB 0.216 30.545 30.300 0.049 0.000 1.046 142 R HN 2.135 nan 8.270 nan 0.000 0.508 143 G N 0.138 108.962 108.800 0.040 0.000 4.766 143 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.314 143 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.314 143 G C 0.666 175.583 174.900 0.028 0.000 1.427 143 G CA 0.074 45.193 45.100 0.032 0.000 1.024 143 G HN 0.491 nan 8.290 nan 0.000 0.754 144 G N -0.947 107.869 108.800 0.027 0.000 4.750 144 G HA2 0.541 4.501 3.960 -0.000 0.000 0.266 144 G HA3 0.541 4.501 3.960 -0.000 0.000 0.266 144 G C -0.180 174.735 174.900 0.024 0.000 1.000 144 G CA 0.883 45.997 45.100 0.024 0.000 0.776 144 G HN 1.246 nan 8.290 nan 0.000 0.357 145 V N 1.886 121.818 119.914 0.030 0.000 2.530 145 V HA 0.241 4.361 4.120 -0.000 0.000 0.282 145 V C 0.276 176.387 176.094 0.028 0.000 1.048 145 V CA -0.669 61.649 62.300 0.031 0.000 0.997 145 V CB 1.422 33.269 31.823 0.040 0.000 0.987 145 V HN 0.218 nan 8.190 nan 0.000 0.477 146 E N 5.569 125.782 120.200 0.021 0.000 2.413 146 E HA 0.134 4.483 4.350 -0.000 0.000 0.263 146 E C -2.215 174.392 176.600 0.011 0.000 1.015 146 E CA -1.579 54.829 56.400 0.013 0.000 0.916 146 E CB 0.334 30.038 29.700 0.007 0.000 0.947 146 E HN 0.451 nan 8.360 nan 0.000 0.440 147 P HA -0.050 nan 4.420 nan 0.000 0.266 147 P C 0.060 177.338 177.300 -0.037 0.000 1.195 147 P CA -0.052 63.038 63.100 -0.016 0.000 0.768 147 P CB 0.399 32.084 31.700 -0.026 0.000 0.838 148 N N 3.246 121.910 118.700 -0.060 0.000 2.429 148 N HA -0.069 4.671 4.740 -0.000 0.000 0.271 148 N C 0.802 176.231 175.510 -0.136 0.000 1.272 148 N CA 0.234 53.228 53.050 -0.093 0.000 0.921 148 N CB 0.397 38.808 38.487 -0.126 0.000 1.128 148 N HN 0.130 nan 8.380 nan 0.000 0.481 149 K N 2.658 122.998 120.400 -0.099 0.000 2.283 149 K HA -0.074 4.245 4.320 -0.000 0.000 0.202 149 K C 0.737 177.253 176.600 -0.140 0.000 1.048 149 K CA 0.858 57.085 56.287 -0.099 0.000 0.948 149 K CB 0.120 32.581 32.500 -0.064 0.000 0.742 149 K HN 0.572 nan 8.250 nan 0.000 0.458 150 D N 0.336 120.640 120.400 -0.161 0.000 2.149 150 D HA -0.085 4.554 4.640 -0.000 0.000 0.201 150 D C 1.981 178.089 176.300 -0.319 0.000 0.972 150 D CA 0.698 54.585 54.000 -0.189 0.000 0.835 150 D CB 0.006 40.723 40.800 -0.138 0.000 0.966 150 D HN -0.096 nan 8.370 nan 0.000 0.476 151 V N 1.645 121.275 119.914 -0.474 0.000 2.307 151 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 151 V C 2.586 178.333 176.094 -0.578 0.000 1.045 151 V CA 1.643 63.487 62.300 -0.761 0.000 1.024 151 V CB -0.925 30.248 31.823 -1.084 0.000 0.651 151 V HN 0.152 nan 8.190 nan 0.000 0.449 152 A N 0.031 122.652 122.820 -0.331 0.000 2.084 152 A HA -0.092 4.228 4.320 -0.000 0.000 0.221 152 A C 2.176 179.682 177.584 -0.129 0.000 1.161 152 A CA 2.053 53.989 52.037 -0.168 0.000 0.653 152 A CB -0.521 18.419 19.000 -0.101 0.000 0.802 152 A HN 0.632 nan 8.150 nan 0.000 0.457 153 A N -1.064 121.650 122.820 -0.176 0.000 2.308 153 A HA 0.477 4.796 4.320 -0.000 0.000 0.217 153 A C 0.751 178.260 177.584 -0.125 0.000 1.216 153 A CA -0.399 51.570 52.037 -0.114 0.000 0.864 153 A CB -0.251 18.686 19.000 -0.104 0.000 0.902 153 A HN 0.400 nan 8.150 nan 0.000 0.499 154 L N 2.279 123.351 121.223 -0.252 0.000 2.540 154 L HA 0.126 4.466 4.340 -0.000 0.000 0.276 154 L C -1.767 175.128 176.870 0.042 0.000 1.212 154 L CA -1.123 53.586 54.840 -0.218 0.000 0.893 154 L CB 0.357 42.069 42.059 -0.579 0.000 1.138 154 L HN 0.237 nan 8.230 nan 0.000 0.491 155 P HA 0.210 nan 4.420 nan 0.000 0.278 155 P C -1.054 176.491 177.300 0.408 0.000 1.266 155 P CA -0.748 62.489 63.100 0.229 0.000 0.807 155 P CB 0.919 32.691 31.700 0.119 0.000 1.094 156 A N 0.868 123.881 122.820 0.322 0.000 2.484 156 A HA 0.278 4.597 4.320 -0.000 0.000 0.268 156 A C -0.987 176.784 177.584 0.311 0.000 1.114 156 A CA 0.017 52.144 52.037 0.150 0.000 0.780 156 A CB -0.999 17.745 19.000 -0.426 0.000 1.061 156 A HN 0.624 nan 8.150 nan 0.000 0.505 157 W N 2.825 124.222 121.300 0.162 0.000 2.835 157 W HA 0.534 5.193 4.660 -0.001 0.000 0.326 157 W C -0.623 175.977 176.519 0.135 0.000 1.024 157 W CA -0.161 57.256 57.345 0.121 0.000 1.267 157 W CB 1.490 31.019 29.460 0.114 0.000 1.267 157 W HN 0.684 nan 8.180 nan 0.000 0.412 158 S N 4.763 120.303 115.700 -0.267 0.000 2.540 158 S HA 0.804 5.274 4.470 -0.000 0.000 0.275 158 S C -2.162 172.264 174.600 -0.289 0.000 1.123 158 S CA -0.596 57.478 58.200 -0.211 0.000 0.907 158 S CB 1.523 64.704 63.200 -0.032 0.000 1.081 158 S HN 0.512 nan 8.310 nan 0.000 0.476 159 V N 3.745 123.504 119.914 -0.258 0.000 2.735 159 V HA 0.764 4.884 4.120 -0.000 0.000 0.310 159 V C -0.649 175.354 176.094 -0.151 0.000 1.061 159 V CA -0.157 62.027 62.300 -0.194 0.000 0.913 159 V CB 2.364 34.044 31.823 -0.238 0.000 1.005 159 V HN 0.987 nan 8.190 nan 0.000 0.428 160 T N 4.660 119.052 114.554 -0.269 0.000 2.794 160 T HA 0.461 4.810 4.350 -0.000 0.000 0.280 160 T C -1.213 173.220 174.700 -0.444 0.000 0.987 160 T CA -0.036 61.770 62.100 -0.491 0.000 0.993 160 T CB 0.630 68.750 68.868 -1.248 0.000 0.939 160 T HN 0.843 nan 8.240 nan 0.000 0.449 161 H N 2.729 121.512 119.070 -0.477 0.000 2.539 161 H HA 0.559 5.114 4.556 -0.000 0.000 0.332 161 H C -0.968 174.065 175.328 -0.492 0.000 1.031 161 H CA -1.104 54.711 56.048 -0.389 0.000 1.206 161 H CB 0.640 30.265 29.762 -0.228 0.000 1.446 161 H HN 0.366 nan 8.280 nan 0.000 0.496 162 L N 6.414 127.146 121.223 -0.819 0.000 2.312 162 L HA 0.215 4.555 4.340 -0.000 0.000 0.287 162 L C -0.622 175.576 176.870 -1.119 0.000 1.091 162 L CA -0.175 54.182 54.840 -0.805 0.000 0.846 162 L CB -0.481 41.111 42.059 -0.778 0.000 1.219 162 L HN 0.846 nan 8.230 nan 0.000 0.439 163 H N 4.896 123.331 119.070 -1.059 0.000 2.878 163 H HA 0.503 5.059 4.556 -0.001 0.000 0.290 163 H C 1.130 176.124 175.328 -0.557 0.000 1.065 163 H CA 0.790 56.369 56.048 -0.782 0.000 1.477 163 H CB 0.526 29.918 29.762 -0.616 0.000 1.484 163 H HN 0.908 nan 8.280 nan 0.000 0.504 164 G N 2.830 111.304 108.800 -0.544 0.000 2.259 164 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 164 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 164 G C 0.399 174.393 174.900 -1.509 0.000 1.001 164 G CA -0.187 44.463 45.100 -0.751 0.000 0.627 164 G HN 0.960 nan 8.290 nan 0.000 0.501 165 A N 0.612 122.406 122.820 -1.710 0.000 2.520 165 A HA 0.532 4.851 4.320 -0.000 0.000 0.245 165 A C 0.627 177.752 177.584 -0.765 0.000 1.072 165 A CA 1.127 52.090 52.037 -1.790 0.000 0.761 165 A CB 0.275 18.630 19.000 -1.076 0.000 1.004 165 A HN 0.742 nan 8.150 nan 0.000 0.499 166 Q N 1.819 121.337 119.800 -0.470 0.000 2.423 166 Q HA 0.399 4.738 4.340 -0.000 0.000 0.235 166 Q C -0.293 175.705 176.000 -0.004 0.000 1.100 166 Q CA 0.199 55.933 55.803 -0.115 0.000 0.908 166 Q CB 0.300 29.084 28.738 0.077 0.000 1.312 166 Q HN 0.798 nan 8.270 nan 0.000 0.497 167 T N 1.637 116.216 114.554 0.042 0.000 2.821 167 T HA 0.596 4.946 4.350 -0.000 0.000 0.306 167 T C -0.333 174.528 174.700 0.268 0.000 1.313 167 T CA -0.075 62.111 62.100 0.144 0.000 1.012 167 T CB 1.176 70.156 68.868 0.187 0.000 1.298 167 T HN 0.687 nan 8.240 nan 0.000 0.502 168 G N 0.283 109.215 108.800 0.219 0.000 2.664 168 G HA2 0.407 4.367 3.960 -0.000 0.000 0.242 168 G HA3 0.407 4.367 3.960 -0.000 0.000 0.242 168 G C 1.307 176.282 174.900 0.125 0.000 1.225 168 G CA 0.143 45.397 45.100 0.256 0.000 0.849 168 G HN 1.037 nan 8.290 nan 0.000 0.581 169 G N 0.088 108.718 108.800 -0.284 0.000 2.450 169 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.220 169 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.220 169 G C 1.715 176.468 174.900 -0.245 0.000 1.130 169 G CA 1.308 46.017 45.100 -0.651 0.000 0.760 169 G HN 0.978 nan 8.290 nan 0.000 0.557 170 G N 0.288 108.999 108.800 -0.148 0.000 2.498 170 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.219 170 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.219 170 G C 1.482 176.357 174.900 -0.042 0.000 1.119 170 G CA 0.757 45.804 45.100 -0.089 0.000 0.766 170 G HN 0.457 nan 8.290 nan 0.000 0.552 171 N N -0.054 118.635 118.700 -0.020 0.000 2.220 171 N HA 0.023 4.763 4.740 -0.000 0.000 0.195 171 N C 0.881 176.433 175.510 0.070 0.000 1.123 171 N CA 0.238 53.271 53.050 -0.028 0.000 0.874 171 N CB 0.486 38.910 38.487 -0.104 0.000 0.995 171 N HN 0.197 nan 8.380 nan 0.000 0.498 172 D N 0.382 120.855 120.400 0.123 0.000 2.323 172 D HA 0.083 4.723 4.640 -0.000 0.000 0.209 172 D C 0.616 177.057 176.300 0.235 0.000 0.973 172 D CA 0.507 54.657 54.000 0.250 0.000 0.874 172 D CB 0.106 41.111 40.800 0.342 0.000 0.930 172 D HN 0.285 nan 8.370 nan 0.000 0.521 173 G N 0.764 109.627 108.800 0.105 0.000 2.414 173 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.256 173 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.256 173 G C -0.124 174.725 174.900 -0.085 0.000 1.128 173 G CA -0.176 44.927 45.100 0.005 0.000 0.944 173 G HN 0.313 nan 8.290 nan 0.000 0.500 174 W N 0.731 121.916 121.300 -0.192 0.000 2.385 174 W HA 0.271 4.931 4.660 -0.001 0.000 0.336 174 W C 0.997 177.378 176.519 -0.229 0.000 1.351 174 W CA 0.311 57.520 57.345 -0.226 0.000 1.295 174 W CB 0.530 29.895 29.460 -0.158 0.000 1.239 174 W HN 0.651 nan 8.180 nan 0.000 0.565 175 A N 4.444 126.694 122.820 -0.951 0.000 1.978 175 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 175 A C 1.697 179.010 177.584 -0.450 0.000 1.170 175 A CA 1.966 53.596 52.037 -0.678 0.000 0.636 175 A CB -0.413 18.137 19.000 -0.750 0.000 0.810 175 A HN 0.710 nan 8.150 nan 0.000 0.448 176 D N -0.177 119.964 120.400 -0.431 0.000 2.269 176 D HA -0.070 4.569 4.640 -0.000 0.000 0.208 176 D C 0.607 177.009 176.300 0.171 0.000 0.963 176 D CA 0.781 54.831 54.000 0.084 0.000 0.864 176 D CB -0.434 40.594 40.800 0.380 0.000 0.936 176 D HN 0.619 nan 8.370 nan 0.000 0.505 177 N N 0.558 119.319 118.700 0.101 0.000 2.466 177 N HA 0.232 4.972 4.740 -0.000 0.000 0.251 177 N C -0.078 175.357 175.510 -0.126 0.000 1.164 177 N CA -0.539 52.568 53.050 0.094 0.000 0.888 177 N CB 0.642 39.228 38.487 0.165 0.000 1.177 177 N HN 0.017 nan 8.380 nan 0.000 0.498 178 A N 0.833 123.357 122.820 -0.494 0.000 2.386 178 A HA 0.383 4.703 4.320 -0.000 0.000 0.248 178 A C 0.468 177.718 177.584 -0.557 0.000 1.082 178 A CA -0.360 51.129 52.037 -0.914 0.000 0.789 178 A CB 0.363 18.083 19.000 -2.133 0.000 1.025 178 A HN 0.130 nan 8.150 nan 0.000 0.490 179 V N 0.037 119.757 119.914 -0.324 0.000 2.815 179 V HA 0.896 5.016 4.120 -0.000 0.000 0.314 179 V C 0.580 176.763 176.094 0.147 0.000 1.064 179 V CA -0.120 62.191 62.300 0.018 0.000 0.952 179 V CB 1.104 32.945 31.823 0.030 0.000 1.020 179 V HN 1.259 nan 8.190 nan 0.000 0.439 180 G N 1.211 110.190 108.800 0.297 0.000 2.525 180 G HA2 0.475 4.435 3.960 -0.000 0.000 0.287 180 G HA3 0.475 4.435 3.960 -0.000 0.000 0.287 180 G C -0.599 174.409 174.900 0.181 0.000 1.350 180 G CA -0.879 44.394 45.100 0.288 0.000 1.039 180 G HN 0.964 nan 8.290 nan 0.000 0.513 181 F N 0.553 120.533 119.950 0.049 0.000 2.593 181 F HA 0.340 4.867 4.527 -0.000 0.000 0.393 181 F C 1.380 177.192 175.800 0.019 0.000 1.037 181 F CA 1.568 59.572 58.000 0.006 0.000 1.195 181 F CB 0.358 39.357 39.000 -0.002 0.000 1.034 181 F HN 0.982 nan 8.300 nan 0.000 0.552 182 G N 3.501 111.883 108.800 -0.697 0.000 2.232 182 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.226 182 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.226 182 G C -0.199 174.540 174.900 -0.270 0.000 0.996 182 G CA 0.012 44.706 45.100 -0.677 0.000 0.626 182 G HN 0.642 nan 8.290 nan 0.000 0.509 183 D N 0.900 121.215 120.400 -0.143 0.000 2.277 183 D HA 0.725 5.364 4.640 -0.000 0.000 0.250 183 D C 0.461 176.742 176.300 -0.032 0.000 1.032 183 D CA 0.692 54.660 54.000 -0.054 0.000 0.947 183 D CB 1.665 42.471 40.800 0.009 0.000 1.159 183 D HN 0.682 nan 8.370 nan 0.000 0.460 184 A N 0.824 123.640 122.820 -0.007 0.000 2.337 184 A HA 0.452 4.771 4.320 -0.000 0.000 0.331 184 A C -0.556 177.061 177.584 0.055 0.000 1.137 184 A CA -0.672 51.379 52.037 0.023 0.000 0.807 184 A CB 1.503 20.503 19.000 -0.000 0.000 1.250 184 A HN 0.459 nan 8.150 nan 0.000 0.468 185 Q N 1.587 121.457 119.800 0.116 0.000 2.307 185 Q HA 0.603 4.943 4.340 -0.000 0.000 0.262 185 Q C -1.769 174.327 176.000 0.160 0.000 0.961 185 Q CA -0.408 55.480 55.803 0.141 0.000 0.882 185 Q CB 0.887 29.735 28.738 0.184 0.000 1.264 185 Q HN 0.714 nan 8.270 nan 0.000 0.446 186 L N 2.709 123.979 121.223 0.078 0.000 2.296 186 L HA 0.505 4.845 4.340 -0.000 0.000 0.286 186 L C -0.554 176.314 176.870 -0.002 0.000 1.023 186 L CA -0.586 54.262 54.840 0.013 0.000 0.812 186 L CB 1.851 43.896 42.059 -0.024 0.000 1.223 186 L HN 0.574 nan 8.230 nan 0.000 0.421 187 S N 1.850 117.510 115.700 -0.068 0.000 2.521 187 S HA 0.342 4.812 4.470 -0.000 0.000 0.295 187 S C -0.707 173.631 174.600 -0.437 0.000 1.098 187 S CA -0.714 57.337 58.200 -0.248 0.000 0.999 187 S CB 2.222 65.259 63.200 -0.272 0.000 1.034 187 S HN 0.596 nan 8.310 nan 0.000 0.483 188 E N 1.855 121.817 120.200 -0.397 0.000 2.197 188 E HA 0.353 4.703 4.350 -0.000 0.000 0.281 188 E C -1.670 174.674 176.600 -0.427 0.000 0.995 188 E CA -0.518 55.697 56.400 -0.308 0.000 0.808 188 E CB 0.595 30.224 29.700 -0.118 0.000 1.093 188 E HN 0.588 nan 8.360 nan 0.000 0.394 189 Y N 4.987 125.350 120.300 0.104 0.000 2.447 189 Y HA 0.279 4.829 4.550 -0.000 0.000 0.325 189 Y C -1.970 174.023 175.900 0.155 0.000 0.976 189 Y CA -2.554 55.629 58.100 0.138 0.000 1.280 189 Y CB 1.655 40.245 38.460 0.216 0.000 1.104 189 Y HN 0.576 nan 8.280 nan 0.000 0.486 190 P HA -0.097 nan 4.420 nan 0.000 0.221 190 P C -0.443 176.999 177.300 0.236 0.000 1.150 190 P CA 1.196 64.414 63.100 0.196 0.000 0.800 190 P CB 0.216 32.003 31.700 0.144 0.000 0.787 191 N N -2.248 116.653 118.700 0.336 0.000 2.747 191 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 191 N C -0.472 175.199 175.510 0.269 0.000 1.107 191 N CA 0.221 53.494 53.050 0.372 0.000 0.707 191 N CB -1.616 37.056 38.487 0.308 0.000 1.054 191 N HN 0.174 nan 8.380 nan 0.000 0.555 192 D N 0.774 121.325 120.400 0.251 0.000 2.558 192 D HA 0.093 4.733 4.640 -0.000 0.000 0.221 192 D C -0.720 175.715 176.300 0.226 0.000 1.143 192 D CA 0.566 54.672 54.000 0.177 0.000 1.010 192 D CB -0.125 40.746 40.800 0.118 0.000 1.068 192 D HN 0.360 nan 8.370 nan 0.000 0.511 193 H N 1.419 120.543 119.070 0.090 0.000 3.094 193 H HA 0.116 4.671 4.556 -0.001 0.000 0.335 193 H C -0.862 174.449 175.328 -0.028 0.000 1.254 193 H CA -0.553 55.538 56.048 0.071 0.000 1.240 193 H CB 1.437 31.352 29.762 0.254 0.000 1.936 193 H HN 0.343 nan 8.280 nan 0.000 0.536 194 Q N 2.237 121.875 119.800 -0.270 0.000 2.492 194 Q HA 0.546 4.886 4.340 -0.000 0.000 0.238 194 Q C -0.147 175.872 176.000 0.032 0.000 1.045 194 Q CA -0.335 55.399 55.803 -0.114 0.000 0.934 194 Q CB 0.789 29.413 28.738 -0.189 0.000 1.276 194 Q HN 0.574 nan 8.270 nan 0.000 0.521 195 A N 1.335 124.142 122.820 -0.022 0.000 2.584 195 A HA 0.292 4.612 4.320 -0.000 0.000 0.239 195 A C 0.204 177.756 177.584 -0.054 0.000 1.043 195 A CA 1.077 53.080 52.037 -0.056 0.000 0.756 195 A CB -0.036 18.941 19.000 -0.039 0.000 0.963 195 A HN 0.759 nan 8.150 nan 0.000 0.511 196 T N 0.554 115.009 114.554 -0.165 0.000 2.677 196 T HA 0.374 4.724 4.350 -0.000 0.000 0.305 196 T C -1.449 173.125 174.700 -0.209 0.000 1.569 196 T CA -0.484 61.524 62.100 -0.152 0.000 0.984 196 T CB 0.949 69.748 68.868 -0.115 0.000 1.629 196 T HN 0.862 nan 8.240 nan 0.000 0.494 197 Q N 1.473 121.223 119.800 -0.083 0.000 2.340 197 Q HA 0.436 4.775 4.340 -0.000 0.000 0.259 197 Q C -1.131 174.968 176.000 0.166 0.000 0.964 197 Q CA -0.681 55.133 55.803 0.018 0.000 0.900 197 Q CB 0.551 29.327 28.738 0.064 0.000 1.228 197 Q HN 0.485 nan 8.270 nan 0.000 0.449 198 W N 3.999 125.390 121.300 0.151 0.000 2.481 198 W HA 0.538 5.198 4.660 -0.001 0.000 0.369 198 W C -0.259 176.436 176.519 0.293 0.000 1.235 198 W CA -0.910 56.519 57.345 0.140 0.000 1.344 198 W CB 0.899 30.309 29.460 -0.083 0.000 1.360 198 W HN 0.634 nan 8.180 nan 0.000 0.658 199 W N 1.626 123.048 121.300 0.203 0.000 3.118 199 W HA 0.536 5.196 4.660 -0.000 0.000 0.328 199 W C -2.214 174.357 176.519 0.088 0.000 1.239 199 W CA -2.146 55.269 57.345 0.116 0.000 1.176 199 W CB -0.149 29.324 29.460 0.022 0.000 1.433 199 W HN 0.519 nan 8.180 nan 0.000 0.562 200 Y N 0.668 120.919 120.300 -0.083 0.000 2.462 200 Y HA 0.781 5.331 4.550 -0.000 0.000 0.346 200 Y C -0.844 174.893 175.900 -0.272 0.000 0.976 200 Y CA -1.232 56.613 58.100 -0.425 0.000 1.044 200 Y CB 1.525 39.748 38.460 -0.395 0.000 1.230 200 Y HN 0.724 nan 8.280 nan 0.000 0.455 201 H N -0.845 118.090 119.070 -0.225 0.000 3.003 201 H HA 0.321 4.877 4.556 -0.000 0.000 0.327 201 H C -1.625 173.724 175.328 0.034 0.000 1.353 201 H CA -1.172 54.858 56.048 -0.029 0.000 1.142 201 H CB 1.110 30.721 29.762 -0.252 0.000 1.864 201 H HN 0.813 nan 8.280 nan 0.000 0.529 202 D N -0.160 120.412 120.400 0.286 0.000 2.449 202 D HA -0.078 4.562 4.640 -0.000 0.000 0.236 202 D C -0.256 176.151 176.300 0.179 0.000 1.149 202 D CA 0.541 54.642 54.000 0.168 0.000 0.878 202 D CB 0.469 41.359 40.800 0.149 0.000 1.198 202 D HN 0.760 nan 8.370 nan 0.000 0.446 203 H N 1.369 120.409 119.070 -0.049 0.000 2.985 203 H HA 0.255 4.811 4.556 -0.000 0.000 0.246 203 H C -0.652 174.538 175.328 -0.231 0.000 1.181 203 H CA -0.222 55.754 56.048 -0.120 0.000 0.972 203 H CB 0.320 29.986 29.762 -0.161 0.000 2.016 203 H HN 0.454 nan 8.280 nan 0.000 0.672 204 A N 1.521 124.290 122.820 -0.086 0.000 2.540 204 A HA 0.150 4.470 4.320 -0.000 0.000 0.239 204 A C 0.739 178.275 177.584 -0.079 0.000 1.061 204 A CA -0.212 51.694 52.037 -0.218 0.000 0.758 204 A CB -0.144 18.723 19.000 -0.221 0.000 0.991 204 A HN 0.438 nan 8.150 nan 0.000 0.502 205 M N 3.312 122.882 119.600 -0.050 0.000 2.269 205 M HA 0.122 4.602 4.480 -0.000 0.000 0.350 205 M C 0.748 177.088 176.300 0.067 0.000 1.429 205 M CA 1.030 56.304 55.300 -0.042 0.000 1.063 205 M CB -0.729 31.875 32.600 0.006 0.000 1.841 205 M HN 0.848 nan 8.290 nan 0.000 0.455 206 N N 2.498 121.154 118.700 -0.073 0.000 2.924 206 N HA -0.259 4.481 4.740 -0.000 0.000 0.210 206 N C 0.399 175.871 175.510 -0.063 0.000 0.902 206 N CA 2.156 55.173 53.050 -0.056 0.000 1.061 206 N CB -1.671 36.839 38.487 0.038 0.000 0.985 206 N HN 0.865 nan 8.380 nan 0.000 0.600 207 I N -4.040 116.543 120.570 0.022 0.000 4.147 207 I HA 0.320 4.490 4.170 -0.000 0.000 0.329 207 I C 1.277 177.405 176.117 0.019 0.000 1.424 207 I CA -0.123 61.252 61.300 0.124 0.000 1.127 207 I CB 0.431 38.648 38.000 0.362 0.000 1.128 207 I HN -0.223 nan 8.210 nan 0.000 0.417 208 T N 2.471 116.959 114.554 -0.110 0.000 2.737 208 T HA -0.220 4.130 4.350 -0.000 0.000 0.269 208 T C 1.960 176.542 174.700 -0.196 0.000 1.040 208 T CA 2.434 64.451 62.100 -0.137 0.000 1.142 208 T CB -0.401 68.313 68.868 -0.255 0.000 0.861 208 T HN 0.611 nan 8.240 nan 0.000 0.456 209 R N -0.451 119.805 120.500 -0.407 0.000 2.237 209 R HA -0.061 4.278 4.340 -0.000 0.000 0.219 209 R C 1.803 177.838 176.300 -0.442 0.000 1.080 209 R CA 1.032 56.830 56.100 -0.502 0.000 0.995 209 R CB -0.262 29.579 30.300 -0.765 0.000 0.875 209 R HN 0.428 nan 8.270 nan 0.000 0.462 210 W N 0.899 122.123 121.300 -0.126 0.000 2.699 210 W HA 0.222 4.881 4.660 -0.001 0.000 0.267 210 W C 1.484 178.007 176.519 0.006 0.000 1.182 210 W CA -0.319 56.979 57.345 -0.078 0.000 1.453 210 W CB -0.815 28.635 29.460 -0.016 0.000 1.054 210 W HN 0.099 nan 8.180 nan 0.000 0.595 211 N N 0.870 119.752 118.700 0.304 0.000 2.104 211 N HA -0.139 4.600 4.740 -0.000 0.000 0.190 211 N C 1.780 177.377 175.510 0.145 0.000 1.024 211 N CA 1.565 54.767 53.050 0.253 0.000 0.853 211 N CB -0.843 37.812 38.487 0.280 0.000 1.008 211 N HN -0.145 nan 8.380 nan 0.000 0.424 212 V N 1.287 121.258 119.914 0.095 0.000 2.358 212 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 212 V C 2.280 178.410 176.094 0.061 0.000 1.047 212 V CA 1.339 63.700 62.300 0.101 0.000 1.035 212 V CB -0.444 31.384 31.823 0.009 0.000 0.658 212 V HN 0.346 nan 8.190 nan 0.000 0.452 213 M N 0.444 120.028 119.600 -0.027 0.000 2.296 213 M HA -0.092 4.387 4.480 -0.000 0.000 0.265 213 M C 1.982 178.246 176.300 -0.060 0.000 1.064 213 M CA 1.862 57.111 55.300 -0.086 0.000 1.109 213 M CB -0.264 32.257 32.600 -0.133 0.000 1.396 213 M HN 0.297 nan 8.290 nan 0.000 0.430 214 A N -0.196 122.574 122.820 -0.084 0.000 2.070 214 A HA 0.135 4.455 4.320 -0.000 0.000 0.220 214 A C 1.853 179.385 177.584 -0.086 0.000 1.159 214 A CA 1.445 53.336 52.037 -0.243 0.000 0.656 214 A CB -0.805 17.908 19.000 -0.478 0.000 0.800 214 A HN 0.824 nan 8.150 nan 0.000 0.453 215 G N -2.284 106.585 108.800 0.114 0.000 2.318 215 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.172 215 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.172 215 G C 0.166 175.186 174.900 0.201 0.000 1.002 215 G CA -0.113 45.109 45.100 0.204 0.000 0.697 215 G HN 0.331 nan 8.290 nan 0.000 0.483 216 L N 2.190 123.541 121.223 0.214 0.000 2.382 216 L HA 0.487 4.826 4.340 -0.000 0.000 0.259 216 L C 0.149 177.360 176.870 0.569 0.000 1.291 216 L CA -0.396 54.521 54.840 0.129 0.000 1.176 216 L CB -0.964 41.074 42.059 -0.035 0.000 1.373 216 L HN 0.448 nan 8.230 nan 0.000 0.426 217 Y N -0.825 119.708 120.300 0.388 0.000 2.480 217 Y HA 0.838 5.387 4.550 -0.000 0.000 0.329 217 Y C -0.228 175.692 175.900 0.033 0.000 1.127 217 Y CA -1.064 57.199 58.100 0.273 0.000 1.037 217 Y CB 1.210 39.881 38.460 0.352 0.000 1.320 217 Y HN 0.120 nan 8.280 nan 0.000 0.446 218 G N 0.490 108.955 108.800 -0.558 0.000 2.687 218 G HA2 0.558 4.518 3.960 -0.000 0.000 0.291 218 G HA3 0.558 4.518 3.960 -0.000 0.000 0.291 218 G C -1.792 172.811 174.900 -0.495 0.000 1.420 218 G CA -0.853 43.800 45.100 -0.745 0.000 0.796 218 G HN 0.751 nan 8.290 nan 0.000 0.485 219 T N -1.517 113.020 114.554 -0.028 0.000 2.930 219 T HA 0.670 5.020 4.350 -0.000 0.000 0.290 219 T C -2.035 172.947 174.700 0.468 0.000 1.052 219 T CA -0.464 61.795 62.100 0.265 0.000 1.017 219 T CB 1.469 70.461 68.868 0.206 0.000 1.137 219 T HN 0.733 nan 8.240 nan 0.000 0.511 220 Y N 2.622 123.094 120.300 0.287 0.000 2.323 220 Y HA 0.555 5.105 4.550 -0.000 0.000 0.322 220 Y C -1.960 174.001 175.900 0.101 0.000 1.133 220 Y CA -1.077 57.168 58.100 0.240 0.000 1.093 220 Y CB 0.869 39.529 38.460 0.333 0.000 1.203 220 Y HN 0.547 nan 8.280 nan 0.000 0.427 221 L N 7.141 128.421 121.223 0.094 0.000 2.296 221 L HA 0.675 5.015 4.340 -0.000 0.000 0.286 221 L C -0.741 176.064 176.870 -0.107 0.000 1.023 221 L CA -1.274 53.562 54.840 -0.007 0.000 0.812 221 L CB 1.564 43.612 42.059 -0.018 0.000 1.223 221 L HN 0.361 nan 8.230 nan 0.000 0.421 222 V N 3.979 123.785 119.914 -0.180 0.000 2.427 222 V HA 0.514 4.634 4.120 -0.000 0.000 0.286 222 V C 0.085 176.100 176.094 -0.133 0.000 1.034 222 V CA -0.769 61.412 62.300 -0.198 0.000 0.893 222 V CB 1.569 33.159 31.823 -0.387 0.000 0.982 222 V HN 0.653 nan 8.190 nan 0.000 0.452 223 R N 3.338 123.785 120.500 -0.088 0.000 2.664 223 R HA 0.720 5.060 4.340 -0.000 0.000 0.286 223 R C -1.077 175.198 176.300 -0.041 0.000 0.967 223 R CA -0.728 55.337 56.100 -0.058 0.000 0.933 223 R CB 2.030 32.300 30.300 -0.049 0.000 1.146 223 R HN 0.982 nan 8.270 nan 0.000 0.468 224 D N -1.361 119.020 120.400 -0.030 0.000 2.626 224 D HA 0.191 4.830 4.640 -0.000 0.000 0.278 224 D C -0.254 176.037 176.300 -0.016 0.000 1.211 224 D CA -0.622 53.365 54.000 -0.021 0.000 0.903 224 D CB 0.508 41.296 40.800 -0.021 0.000 1.408 224 D HN 0.122 nan 8.370 nan 0.000 0.454 225 D N -0.231 120.162 120.400 -0.012 0.000 2.178 225 D HA -0.139 4.500 4.640 -0.000 0.000 0.201 225 D C 1.398 177.692 176.300 -0.009 0.000 0.980 225 D CA 1.160 55.153 54.000 -0.010 0.000 0.842 225 D CB 0.129 40.923 40.800 -0.009 0.000 0.948 225 D HN 0.687 nan 8.370 nan 0.000 0.472 226 E N 0.794 120.990 120.200 -0.006 0.000 2.031 226 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 226 E C 1.962 178.561 176.600 -0.001 0.000 0.994 226 E CA 0.936 57.335 56.400 -0.001 0.000 0.800 226 E CB 0.054 29.757 29.700 0.006 0.000 0.752 226 E HN 0.246 nan 8.360 nan 0.000 0.447 227 E N 0.128 120.327 120.200 -0.001 0.000 2.110 227 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 227 E C 1.567 178.165 176.600 -0.004 0.000 0.988 227 E CA 1.514 57.914 56.400 -0.000 0.000 0.804 227 E CB -0.015 29.682 29.700 -0.005 0.000 0.745 227 E HN 0.257 nan 8.360 nan 0.000 0.458 228 D N 0.342 120.737 120.400 -0.008 0.000 2.123 228 D HA -0.148 4.491 4.640 -0.000 0.000 0.196 228 D C 1.681 177.977 176.300 -0.007 0.000 0.992 228 D CA 1.462 55.456 54.000 -0.009 0.000 0.833 228 D CB -0.343 40.450 40.800 -0.012 0.000 0.954 228 D HN 0.300 nan 8.370 nan 0.000 0.455 229 A N -0.105 122.709 122.820 -0.010 0.000 2.248 229 A HA -0.019 4.300 4.320 -0.000 0.000 0.210 229 A C 2.051 179.623 177.584 -0.021 0.000 1.174 229 A CA 0.447 52.475 52.037 -0.015 0.000 0.750 229 A CB -0.495 18.495 19.000 -0.016 0.000 0.780 229 A HN 0.235 nan 8.150 nan 0.000 0.478 230 L N -1.334 119.884 121.223 -0.009 0.000 2.567 230 L HA 0.173 4.513 4.340 -0.000 0.000 0.225 230 L C 1.546 178.436 176.870 0.034 0.000 1.119 230 L CA 0.422 55.256 54.840 -0.008 0.000 0.871 230 L CB -0.106 41.958 42.059 0.009 0.000 1.036 230 L HN 0.521 nan 8.230 nan 0.000 0.459 231 G N 1.762 110.582 108.800 0.033 0.000 2.393 231 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.299 231 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.299 231 G C 0.124 175.110 174.900 0.143 0.000 0.990 231 G CA 0.062 45.198 45.100 0.060 0.000 1.118 231 G HN 0.241 nan 8.290 nan 0.000 0.513 232 L N 0.008 121.272 121.223 0.069 0.000 2.453 232 L HA 0.353 4.693 4.340 -0.000 0.000 0.261 232 L C -1.239 175.515 176.870 -0.194 0.000 1.179 232 L CA -2.073 52.730 54.840 -0.061 0.000 0.813 232 L CB 0.173 42.196 42.059 -0.061 0.000 1.110 232 L HN 0.014 nan 8.230 nan 0.000 0.466 233 P HA 0.042 nan 4.420 nan 0.000 0.266 233 P C -0.726 176.477 177.300 -0.162 0.000 1.193 233 P CA 0.061 62.994 63.100 -0.278 0.000 0.770 233 P CB 0.773 32.281 31.700 -0.319 0.000 0.836 234 S N 0.081 115.703 115.700 -0.131 0.000 2.790 234 S HA 0.754 5.224 4.470 -0.000 0.000 0.292 234 S C 0.555 175.112 174.600 -0.072 0.000 1.197 234 S CA -0.074 58.079 58.200 -0.080 0.000 0.851 234 S CB 1.010 64.176 63.200 -0.056 0.000 1.217 234 S HN 0.788 nan 8.310 nan 0.000 0.526 235 G N 1.517 110.293 108.800 -0.040 0.000 2.629 235 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.313 235 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.313 235 G C 0.379 175.270 174.900 -0.016 0.000 1.217 235 G CA 1.109 46.194 45.100 -0.025 0.000 0.994 235 G HN 0.852 nan 8.290 nan 0.000 0.549 236 D N 0.724 121.114 120.400 -0.017 0.000 2.221 236 D HA -0.037 4.602 4.640 -0.000 0.000 0.204 236 D C 2.535 178.831 176.300 -0.006 0.000 0.982 236 D CA 1.086 55.094 54.000 0.013 0.000 0.857 236 D CB -0.036 40.770 40.800 0.011 0.000 0.934 236 D HN 0.333 nan 8.370 nan 0.000 0.475 237 R N 0.312 120.717 120.500 -0.158 0.000 2.334 237 R HA 0.164 4.504 4.340 -0.000 0.000 0.216 237 R C 0.320 176.536 176.300 -0.141 0.000 0.905 237 R CA -0.033 55.812 56.100 -0.424 0.000 1.064 237 R CB 0.241 30.207 30.300 -0.557 0.000 1.046 237 R HN 0.287 nan 8.270 nan 0.000 0.508 238 E N 1.197 121.386 120.200 -0.020 0.000 2.133 238 E HA 0.359 4.708 4.350 -0.000 0.000 0.274 238 E C -0.982 175.678 176.600 0.100 0.000 0.930 238 E CA -0.352 56.073 56.400 0.042 0.000 0.770 238 E CB 0.863 30.567 29.700 0.006 0.000 1.104 238 E HN 0.003 nan 8.360 nan 0.000 0.403 239 I N 6.553 127.212 120.570 0.149 0.000 2.439 239 I HA 0.309 4.479 4.170 -0.000 0.000 0.283 239 I C -2.375 173.816 176.117 0.124 0.000 1.023 239 I CA -2.512 58.881 61.300 0.156 0.000 1.100 239 I CB 1.861 39.999 38.000 0.230 0.000 1.238 239 I HN 0.355 nan 8.210 nan 0.000 0.445 240 P HA 0.281 nan 4.420 nan 0.000 0.276 240 P C -1.009 176.335 177.300 0.074 0.000 1.235 240 P CA -0.076 63.072 63.100 0.080 0.000 0.772 240 P CB 0.587 32.330 31.700 0.072 0.000 0.871 241 L N 4.295 125.557 121.223 0.064 0.000 2.342 241 L HA 0.386 4.726 4.340 -0.000 0.000 0.276 241 L C -0.511 176.363 176.870 0.006 0.000 0.997 241 L CA -0.740 54.125 54.840 0.042 0.000 0.838 241 L CB 0.952 43.042 42.059 0.052 0.000 1.224 241 L HN 0.140 nan 8.230 nan 0.000 0.416 242 L N 5.566 126.803 121.223 0.023 0.000 2.259 242 L HA 0.471 4.810 4.340 -0.000 0.000 0.288 242 L C 0.130 177.002 176.870 0.003 0.000 1.051 242 L CA -0.087 54.767 54.840 0.024 0.000 0.824 242 L CB 0.785 42.953 42.059 0.182 0.000 1.206 242 L HN 0.470 nan 8.230 nan 0.000 0.429 243 I N 0.652 121.146 120.570 -0.127 0.000 2.392 243 I HA 0.967 5.137 4.170 -0.000 0.000 0.295 243 I C -0.244 175.756 176.117 -0.195 0.000 0.985 243 I CA -0.580 60.603 61.300 -0.195 0.000 1.221 243 I CB 1.828 39.585 38.000 -0.404 0.000 1.366 243 I HN 0.612 nan 8.210 nan 0.000 0.467 244 A N 4.814 127.574 122.820 -0.100 0.000 2.465 244 A HA 0.462 4.782 4.320 -0.000 0.000 0.292 244 A C -1.016 176.642 177.584 0.123 0.000 1.041 244 A CA -0.734 51.277 52.037 -0.045 0.000 0.718 244 A CB 1.138 20.006 19.000 -0.221 0.000 1.266 244 A HN 0.878 nan 8.150 nan 0.000 0.403 245 D N 2.017 122.591 120.400 0.290 0.000 2.362 245 D HA 0.475 5.115 4.640 -0.000 0.000 0.242 245 D C -0.236 176.262 176.300 0.330 0.000 1.132 245 D CA -0.014 54.194 54.000 0.347 0.000 0.907 245 D CB 0.757 41.774 40.800 0.361 0.000 1.195 245 D HN 0.334 nan 8.370 nan 0.000 0.429 246 R N 1.165 121.874 120.500 0.348 0.000 2.771 246 R HA 0.488 4.828 4.340 -0.000 0.000 0.274 246 R C -0.668 175.933 176.300 0.502 0.000 0.987 246 R CA -0.855 55.449 56.100 0.340 0.000 0.908 246 R CB 1.433 31.827 30.300 0.156 0.000 1.213 246 R HN 0.570 nan 8.270 nan 0.000 0.468 247 N N 0.682 119.694 118.700 0.519 0.000 2.381 247 N HA 0.639 5.379 4.740 -0.000 0.000 0.294 247 N C -1.210 174.473 175.510 0.288 0.000 1.216 247 N CA -0.552 52.773 53.050 0.458 0.000 0.803 247 N CB 1.573 40.303 38.487 0.406 0.000 1.372 247 N HN 0.407 nan 8.380 nan 0.000 0.500 248 L N 0.266 121.649 121.223 0.265 0.000 2.393 248 L HA 0.436 4.776 4.340 -0.000 0.000 0.260 248 L C -0.344 176.593 176.870 0.111 0.000 1.002 248 L CA -0.964 53.941 54.840 0.107 0.000 0.818 248 L CB 2.055 44.089 42.059 -0.043 0.000 1.369 248 L HN 0.436 nan 8.230 nan 0.000 0.412 249 D N 0.422 120.859 120.400 0.060 0.000 2.348 249 D HA 0.489 5.129 4.640 -0.000 0.000 0.249 249 D C -0.605 175.721 176.300 0.044 0.000 1.110 249 D CA 0.122 54.156 54.000 0.057 0.000 0.967 249 D CB 1.738 42.562 40.800 0.040 0.000 1.139 249 D HN 0.625 nan 8.370 nan 0.000 0.466 250 T N -1.258 113.323 114.554 0.045 0.000 2.916 250 T HA 0.480 4.830 4.350 -0.000 0.000 0.292 250 T C -0.246 174.471 174.700 0.029 0.000 1.055 250 T CA -0.999 61.123 62.100 0.037 0.000 1.009 250 T CB 1.720 70.617 68.868 0.047 0.000 1.118 250 T HN 0.090 nan 8.240 nan 0.000 0.497 251 D N 0.362 120.776 120.400 0.023 0.000 2.433 251 D HA 0.263 4.903 4.640 -0.000 0.000 0.255 251 D C 1.424 177.736 176.300 0.021 0.000 1.226 251 D CA -0.676 53.336 54.000 0.020 0.000 1.015 251 D CB 0.717 41.526 40.800 0.015 0.000 1.091 251 D HN 0.753 nan 8.370 nan 0.000 0.527 252 E N -0.051 120.160 120.200 0.018 0.000 2.110 252 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 252 E C 0.883 177.493 176.600 0.018 0.000 0.988 252 E CA 1.001 57.412 56.400 0.017 0.000 0.804 252 E CB 0.049 29.757 29.700 0.014 0.000 0.745 252 E HN 0.410 nan 8.360 nan 0.000 0.458 253 D N -0.440 119.969 120.400 0.016 0.000 2.338 253 D HA -0.012 4.627 4.640 -0.000 0.000 0.239 253 D C 1.109 177.422 176.300 0.021 0.000 1.095 253 D CA 0.740 54.749 54.000 0.017 0.000 0.888 253 D CB -0.033 40.775 40.800 0.014 0.000 0.899 253 D HN 0.232 nan 8.370 nan 0.000 0.525 254 G N 0.532 109.347 108.800 0.024 0.000 2.155 254 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 254 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 254 G C 0.277 175.196 174.900 0.032 0.000 0.983 254 G CA -0.193 44.926 45.100 0.032 0.000 0.676 254 G HN 0.366 nan 8.290 nan 0.000 0.528 255 R N -0.276 120.238 120.500 0.023 0.000 2.543 255 R HA 0.343 4.682 4.340 -0.000 0.000 0.277 255 R C 1.082 177.388 176.300 0.011 0.000 1.074 255 R CA -0.485 55.624 56.100 0.015 0.000 1.076 255 R CB 0.391 30.697 30.300 0.009 0.000 0.993 255 R HN 0.332 nan 8.270 nan 0.000 0.459 256 L N 3.836 125.056 121.223 -0.005 0.000 2.462 256 L HA -0.054 4.286 4.340 -0.000 0.000 0.272 256 L C 1.316 178.167 176.870 -0.033 0.000 1.166 256 L CA 0.188 55.009 54.840 -0.031 0.000 0.880 256 L CB 0.220 42.221 42.059 -0.096 0.000 1.142 256 L HN 0.679 nan 8.230 nan 0.000 0.473 257 N N 1.381 120.069 118.700 -0.020 0.000 2.204 257 N HA 0.102 4.841 4.740 -0.000 0.000 0.219 257 N C 0.981 176.489 175.510 -0.002 0.000 1.151 257 N CA 0.287 53.334 53.050 -0.005 0.000 0.867 257 N CB 0.971 39.465 38.487 0.013 0.000 1.043 257 N HN 0.731 nan 8.380 nan 0.000 0.516 258 G N 0.583 109.360 108.800 -0.038 0.000 2.220 258 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.269 258 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.269 258 G C -0.001 174.885 174.900 -0.023 0.000 0.977 258 G CA 0.253 45.329 45.100 -0.041 0.000 0.634 258 G HN 0.482 nan 8.290 nan 0.000 0.539 259 R N 0.248 120.743 120.500 -0.008 0.000 2.449 259 R HA 0.338 4.678 4.340 -0.000 0.000 0.296 259 R C 0.879 177.161 176.300 -0.030 0.000 1.047 259 R CA -0.333 55.754 56.100 -0.021 0.000 1.018 259 R CB 0.377 30.675 30.300 -0.004 0.000 0.962 259 R HN 0.331 nan 8.270 nan 0.000 0.428 260 L N 4.386 125.569 121.223 -0.068 0.000 2.559 260 L HA -0.009 4.331 4.340 -0.000 0.000 0.274 260 L C -0.005 176.862 176.870 -0.005 0.000 1.205 260 L CA 0.125 54.933 54.840 -0.053 0.000 0.907 260 L CB 0.014 42.002 42.059 -0.118 0.000 1.153 260 L HN 0.360 nan 8.230 nan 0.000 0.490 261 L N 4.526 125.787 121.223 0.063 0.000 2.343 261 L HA 0.295 4.635 4.340 -0.000 0.000 0.278 261 L C -0.159 176.841 176.870 0.218 0.000 0.996 261 L CA -0.137 54.781 54.840 0.130 0.000 0.831 261 L CB 1.068 43.214 42.059 0.144 0.000 1.232 261 L HN 0.431 nan 8.230 nan 0.000 0.413 262 H N 5.699 124.853 119.070 0.139 0.000 2.908 262 H HA 0.211 4.767 4.556 -0.000 0.000 0.269 262 H C -0.914 174.622 175.328 0.347 0.000 1.303 262 H CA -0.195 55.993 56.048 0.233 0.000 1.341 262 H CB 0.526 30.477 29.762 0.315 0.000 1.519 262 H HN 0.594 nan 8.280 nan 0.000 0.505 263 K N 4.629 125.211 120.400 0.304 0.000 2.334 263 K HA 0.181 4.501 4.320 -0.000 0.000 0.265 263 K C -0.613 176.028 176.600 0.068 0.000 1.039 263 K CA -0.560 55.837 56.287 0.184 0.000 0.920 263 K CB 0.600 33.191 32.500 0.151 0.000 1.160 263 K HN 0.595 nan 8.250 nan 0.000 0.451 264 T N -0.661 113.953 114.554 0.102 0.000 2.945 264 T HA 0.461 4.810 4.350 -0.000 0.000 0.286 264 T C -0.168 174.581 174.700 0.081 0.000 1.025 264 T CA -0.831 61.311 62.100 0.070 0.000 1.039 264 T CB 1.653 70.600 68.868 0.132 0.000 1.068 264 T HN 0.130 nan 8.240 nan 0.000 0.497 265 V N 2.354 122.310 119.914 0.070 0.000 2.394 265 V HA 0.374 4.493 4.120 -0.000 0.000 0.282 265 V C 0.295 176.435 176.094 0.076 0.000 1.031 265 V CA -0.973 61.363 62.300 0.061 0.000 0.881 265 V CB 1.053 32.896 31.823 0.034 0.000 0.982 265 V HN 0.830 nan 8.190 nan 0.000 0.451 266 I N 5.312 125.924 120.570 0.070 0.000 2.436 266 I HA 0.058 4.228 4.170 -0.000 0.000 0.289 266 I C 1.168 177.317 176.117 0.052 0.000 1.083 266 I CA 0.146 61.488 61.300 0.069 0.000 1.372 266 I CB 1.175 39.212 38.000 0.062 0.000 1.408 266 I HN 0.654 nan 8.210 nan 0.000 0.516 267 V N 2.180 122.128 119.914 0.056 0.000 3.471 267 V HA 0.134 4.254 4.120 -0.000 0.000 0.258 267 V C 0.588 176.701 176.094 0.032 0.000 1.192 267 V CA 0.277 62.602 62.300 0.041 0.000 1.116 267 V CB -0.261 31.589 31.823 0.045 0.000 0.792 267 V HN 0.840 nan 8.190 nan 0.000 0.459 268 Q N 0.372 120.193 119.800 0.035 0.000 2.303 268 Q HA 0.312 4.652 4.340 -0.000 0.000 0.267 268 Q C 0.569 176.586 176.000 0.027 0.000 1.011 268 Q CA -0.494 55.322 55.803 0.023 0.000 0.740 268 Q CB 2.044 30.788 28.738 0.010 0.000 1.250 268 Q HN 0.275 nan 8.270 nan 0.000 0.458 269 Q N 1.632 121.447 119.800 0.025 0.000 2.124 269 Q HA 0.015 4.354 4.340 -0.000 0.000 0.202 269 Q C -0.258 175.758 176.000 0.027 0.000 0.977 269 Q CA 1.364 57.184 55.803 0.028 0.000 0.850 269 Q CB 0.378 29.131 28.738 0.024 0.000 0.901 269 Q HN 0.397 nan 8.270 nan 0.000 0.429 270 S N 0.019 115.731 115.700 0.020 0.000 2.736 270 S HA 0.418 4.888 4.470 -0.000 0.000 0.285 270 S C -1.399 173.207 174.600 0.010 0.000 1.163 270 S CA -0.905 57.306 58.200 0.018 0.000 1.025 270 S CB 0.387 63.597 63.200 0.017 0.000 1.030 270 S HN 0.399 nan 8.310 nan 0.000 0.486 271 N N 5.010 123.714 118.700 0.006 0.000 2.514 271 N HA 0.419 5.159 4.740 -0.000 0.000 0.277 271 N C -1.621 173.890 175.510 0.001 0.000 1.126 271 N CA -1.724 51.321 53.050 -0.007 0.000 0.978 271 N CB 1.182 39.652 38.487 -0.029 0.000 1.106 271 N HN 0.249 nan 8.380 nan 0.000 0.461 272 P HA -0.146 nan 4.420 nan 0.000 0.216 272 P C 0.243 177.549 177.300 0.010 0.000 1.150 272 P CA 1.510 64.614 63.100 0.006 0.000 0.843 272 P CB 0.248 31.952 31.700 0.006 0.000 0.787 273 E N -1.191 119.014 120.200 0.009 0.000 2.122 273 E HA -0.018 4.331 4.350 -0.000 0.000 0.190 273 E C 0.991 177.604 176.600 0.021 0.000 0.977 273 E CA 0.957 57.367 56.400 0.017 0.000 0.820 273 E CB -0.092 29.621 29.700 0.022 0.000 0.770 273 E HN 0.374 nan 8.360 nan 0.000 0.462 274 T N -3.780 110.786 114.554 0.020 0.000 2.870 274 T HA 0.436 4.786 4.350 -0.000 0.000 0.277 274 T C 1.166 175.882 174.700 0.026 0.000 1.000 274 T CA -0.380 61.738 62.100 0.030 0.000 0.982 274 T CB 1.510 70.403 68.868 0.043 0.000 1.249 274 T HN -0.022 nan 8.240 nan 0.000 0.589 275 G N -0.368 108.450 108.800 0.031 0.000 2.920 275 G HA2 0.184 4.143 3.960 -0.000 0.000 0.208 275 G HA3 0.184 4.143 3.960 -0.000 0.000 0.208 275 G C 0.328 175.247 174.900 0.031 0.000 1.159 275 G CA -0.076 45.040 45.100 0.028 0.000 0.784 275 G HN 0.634 nan 8.290 nan 0.000 0.535 276 K N 0.492 120.914 120.400 0.037 0.000 2.208 276 K HA 0.419 4.739 4.320 -0.000 0.000 0.247 276 K C -2.832 173.798 176.600 0.049 0.000 0.953 276 K CA -2.152 54.165 56.287 0.051 0.000 0.837 276 K CB 1.894 34.438 32.500 0.073 0.000 1.131 276 K HN -0.178 nan 8.250 nan 0.000 0.431 277 P HA 0.040 nan 4.420 nan 0.000 0.269 277 P C -0.921 176.430 177.300 0.085 0.000 1.209 277 P CA -0.356 62.783 63.100 0.065 0.000 0.776 277 P CB 0.554 32.299 31.700 0.075 0.000 0.876 278 V N 2.319 122.276 119.914 0.070 0.000 2.495 278 V HA 0.519 4.639 4.120 -0.000 0.000 0.298 278 V C 0.154 176.320 176.094 0.119 0.000 1.031 278 V CA -0.280 62.076 62.300 0.093 0.000 0.871 278 V CB 1.583 33.404 31.823 -0.003 0.000 0.988 278 V HN 0.728 nan 8.190 nan 0.000 0.432 279 S N 4.667 120.470 115.700 0.171 0.000 2.599 279 S HA 0.820 5.290 4.470 -0.000 0.000 0.294 279 S C -0.402 174.309 174.600 0.184 0.000 1.094 279 S CA -0.892 57.403 58.200 0.159 0.000 0.931 279 S CB 2.029 65.326 63.200 0.162 0.000 1.093 279 S HN 0.755 nan 8.310 nan 0.000 0.488 280 I N -1.802 118.864 120.570 0.160 0.000 3.156 280 I HA 0.564 4.734 4.170 -0.000 0.000 0.306 280 I C -2.698 173.490 176.117 0.118 0.000 1.048 280 I CA -2.600 58.810 61.300 0.183 0.000 1.207 280 I CB -0.376 37.740 38.000 0.194 0.000 1.456 280 I HN 0.310 nan 8.210 nan 0.000 0.616 281 P HA 0.038 nan 4.420 nan 0.000 0.272 281 P C -0.927 176.121 177.300 -0.420 0.000 1.254 281 P CA -0.047 62.904 63.100 -0.248 0.000 0.795 281 P CB 0.219 31.636 31.700 -0.473 0.000 1.022 282 F N 1.222 120.781 119.950 -0.652 0.000 2.427 282 F HA 0.475 5.001 4.527 -0.000 0.000 0.352 282 F C -0.882 174.321 175.800 -0.995 0.000 1.100 282 F CA 0.192 57.803 58.000 -0.647 0.000 1.191 282 F CB -0.155 38.510 39.000 -0.559 0.000 1.128 282 F HN 0.070 nan 8.300 nan 0.000 0.533 283 F N 3.334 122.585 119.950 -1.164 0.000 2.599 283 F HA 0.763 5.290 4.527 -0.000 0.000 0.311 283 F C 0.269 175.309 175.800 -1.267 0.000 1.076 283 F CA -0.974 56.443 58.000 -0.972 0.000 0.937 283 F CB 1.973 40.691 39.000 -0.470 0.000 1.282 283 F HN 0.665 nan 8.300 nan 0.000 0.460 284 G N 0.632 109.107 108.800 -0.541 0.000 2.690 284 G HA2 0.581 4.541 3.960 -0.000 0.000 0.293 284 G HA3 0.581 4.541 3.960 -0.000 0.000 0.293 284 G C -2.910 171.945 174.900 -0.074 0.000 1.399 284 G CA -1.616 43.329 45.100 -0.258 0.000 0.890 284 G HN 0.282 nan 8.290 nan 0.000 0.485 285 P HA 0.078 nan 4.420 nan 0.000 0.224 285 P C -0.408 176.868 177.300 -0.040 0.000 1.157 285 P CA 0.714 63.681 63.100 -0.222 0.000 0.799 285 P CB 0.107 31.462 31.700 -0.575 0.000 0.809 286 Y N -1.123 119.317 120.300 0.234 0.000 2.341 286 Y HA 0.421 4.970 4.550 -0.000 0.000 0.337 286 Y C 0.687 176.630 175.900 0.071 0.000 1.014 286 Y CA -0.779 57.337 58.100 0.026 0.000 1.111 286 Y CB 0.955 39.242 38.460 -0.288 0.000 1.194 286 Y HN -0.408 nan 8.280 nan 0.000 0.462 287 T N 2.564 117.260 114.554 0.237 0.000 2.756 287 T HA 0.259 4.609 4.350 -0.000 0.000 0.290 287 T C -0.088 174.641 174.700 0.047 0.000 0.985 287 T CA -0.861 61.413 62.100 0.290 0.000 0.955 287 T CB 0.211 69.420 68.868 0.568 0.000 0.930 287 T HN 0.697 nan 8.240 nan 0.000 0.451 288 T N 0.701 115.282 114.554 0.045 0.000 2.845 288 T HA 0.638 4.988 4.350 -0.000 0.000 0.288 288 T C -0.228 174.488 174.700 0.025 0.000 0.980 288 T CA -0.715 61.390 62.100 0.009 0.000 1.071 288 T CB 0.876 69.763 68.868 0.032 0.000 0.941 288 T HN 0.244 nan 8.240 nan 0.000 0.487 289 V N 4.121 124.051 119.914 0.027 0.000 2.407 289 V HA 0.375 4.495 4.120 -0.000 0.000 0.291 289 V C -0.278 175.832 176.094 0.026 0.000 1.018 289 V CA -1.070 61.240 62.300 0.017 0.000 0.842 289 V CB 0.681 32.509 31.823 0.008 0.000 0.996 289 V HN 1.045 nan 8.190 nan 0.000 0.426 290 N N 3.867 122.599 118.700 0.053 0.000 2.738 290 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 290 N C 1.156 176.684 175.510 0.030 0.000 1.047 290 N CA 1.497 54.573 53.050 0.042 0.000 0.707 290 N CB -1.152 37.345 38.487 0.016 0.000 0.937 290 N HN 1.548 nan 8.380 nan 0.000 0.545 291 G N -0.950 107.893 108.800 0.072 0.000 2.203 291 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.263 291 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.263 291 G C 0.038 174.944 174.900 0.010 0.000 1.012 291 G CA 0.852 45.984 45.100 0.053 0.000 0.749 291 G HN 0.657 nan 8.290 nan 0.000 0.512 292 R N -0.858 119.639 120.500 -0.004 0.000 2.621 292 R HA 0.535 4.874 4.340 -0.000 0.000 0.292 292 R C 0.320 176.590 176.300 -0.049 0.000 0.969 292 R CA -1.133 54.947 56.100 -0.033 0.000 0.887 292 R CB 1.577 31.848 30.300 -0.047 0.000 1.180 292 R HN 0.203 nan 8.270 nan 0.000 0.450 293 I N 3.512 124.015 120.570 -0.112 0.000 2.662 293 I HA -0.103 4.067 4.170 -0.000 0.000 0.285 293 I C 0.104 176.180 176.117 -0.067 0.000 1.161 293 I CA 0.348 61.477 61.300 -0.286 0.000 1.415 293 I CB 0.162 37.844 38.000 -0.530 0.000 1.385 293 I HN 0.610 nan 8.210 nan 0.000 0.552 294 W N 5.629 126.975 121.300 0.077 0.000 6.880 294 W HA -0.155 4.504 4.660 -0.000 0.000 0.423 294 W C -2.305 174.306 176.519 0.153 0.000 1.695 294 W CA -0.951 56.443 57.345 0.082 0.000 1.126 294 W CB -2.352 27.032 29.460 -0.127 0.000 2.925 294 W HN 0.324 nan 8.180 nan 0.000 1.530 295 P HA 0.300 nan 4.420 nan 0.000 0.276 295 P C -0.406 176.994 177.300 0.166 0.000 1.252 295 P CA -0.029 63.130 63.100 0.099 0.000 0.802 295 P CB 0.856 32.518 31.700 -0.063 0.000 1.035 296 Y N -1.374 118.974 120.300 0.080 0.000 2.420 296 Y HA 0.778 5.328 4.550 -0.000 0.000 0.334 296 Y C -0.856 174.953 175.900 -0.152 0.000 1.094 296 Y CA -1.848 56.198 58.100 -0.091 0.000 1.126 296 Y CB 0.933 39.355 38.460 -0.063 0.000 1.217 296 Y HN 0.484 nan 8.280 nan 0.000 0.462 297 A N 2.929 125.680 122.820 -0.114 0.000 2.304 297 A HA 0.440 4.760 4.320 -0.000 0.000 0.314 297 A C -1.265 176.327 177.584 0.014 0.000 1.187 297 A CA -0.845 51.127 52.037 -0.109 0.000 0.810 297 A CB 0.318 19.181 19.000 -0.228 0.000 1.183 297 A HN 0.776 nan 8.150 nan 0.000 0.487 298 D N 2.002 122.454 120.400 0.088 0.000 2.343 298 D HA 0.401 5.040 4.640 -0.000 0.000 0.255 298 D C 0.194 176.477 176.300 -0.028 0.000 1.187 298 D CA 0.558 54.584 54.000 0.043 0.000 0.875 298 D CB 1.378 42.233 40.800 0.091 0.000 1.136 298 D HN 0.525 nan 8.370 nan 0.000 0.469 299 V N -0.261 119.564 119.914 -0.147 0.000 2.962 299 V HA 0.539 4.659 4.120 -0.000 0.000 0.313 299 V C -0.203 175.809 176.094 -0.137 0.000 1.099 299 V CA -1.091 61.067 62.300 -0.237 0.000 0.971 299 V CB 2.491 33.845 31.823 -0.782 0.000 1.028 299 V HN 0.144 nan 8.190 nan 0.000 0.430 300 D N 2.106 122.566 120.400 0.100 0.000 2.358 300 D HA 0.222 4.862 4.640 -0.000 0.000 0.244 300 D C -0.140 176.236 176.300 0.126 0.000 1.163 300 D CA 0.098 54.173 54.000 0.126 0.000 0.945 300 D CB 0.994 41.921 40.800 0.210 0.000 1.152 300 D HN 0.937 nan 8.370 nan 0.000 0.451 301 D N -0.043 120.412 120.400 0.092 0.000 2.671 301 D HA 0.258 4.898 4.640 -0.000 0.000 0.228 301 D C 0.432 176.835 176.300 0.172 0.000 1.102 301 D CA -0.539 53.530 54.000 0.115 0.000 1.044 301 D CB -0.206 40.627 40.800 0.055 0.000 1.113 301 D HN 0.322 nan 8.370 nan 0.000 0.480 302 G N -0.404 108.573 108.800 0.295 0.000 2.975 302 G HA2 0.454 4.414 3.960 -0.000 0.000 0.291 302 G HA3 0.454 4.414 3.960 -0.000 0.000 0.291 302 G C -1.513 173.559 174.900 0.287 0.000 1.334 302 G CA -1.262 43.988 45.100 0.250 0.000 0.843 302 G HN 0.183 nan 8.290 nan 0.000 0.548 303 W N -0.001 121.353 121.300 0.091 0.000 2.287 303 W HA 0.601 5.261 4.660 -0.000 0.000 0.313 303 W C -0.839 175.649 176.519 -0.052 0.000 1.267 303 W CA 0.138 57.466 57.345 -0.029 0.000 1.201 303 W CB 0.654 29.944 29.460 -0.283 0.000 1.196 303 W HN 0.244 nan 8.180 nan 0.000 0.536 304 Y N 1.804 122.171 120.300 0.112 0.000 2.468 304 Y HA 0.460 5.010 4.550 -0.000 0.000 0.342 304 Y C 0.176 176.094 175.900 0.030 0.000 1.021 304 Y CA -1.813 56.339 58.100 0.086 0.000 1.079 304 Y CB 1.716 40.282 38.460 0.178 0.000 1.226 304 Y HN 0.261 nan 8.280 nan 0.000 0.460 305 R N 3.404 123.975 120.500 0.118 0.000 2.338 305 R HA 0.657 4.996 4.340 -0.000 0.000 0.317 305 R C -1.883 174.501 176.300 0.141 0.000 0.968 305 R CA -0.436 55.712 56.100 0.081 0.000 0.849 305 R CB 0.508 30.806 30.300 -0.004 0.000 1.128 305 R HN 0.747 nan 8.270 nan 0.000 0.448 306 L N 4.827 126.132 121.223 0.136 0.000 2.322 306 L HA 0.555 4.895 4.340 -0.000 0.000 0.281 306 L C -0.006 176.935 176.870 0.119 0.000 1.014 306 L CA -1.131 53.800 54.840 0.151 0.000 0.815 306 L CB 1.810 43.971 42.059 0.171 0.000 1.247 306 L HN 0.451 nan 8.230 nan 0.000 0.421 307 R N 4.088 124.652 120.500 0.105 0.000 2.666 307 R HA 0.345 4.684 4.340 -0.000 0.000 0.275 307 R C -0.797 175.550 176.300 0.079 0.000 1.266 307 R CA -0.549 55.602 56.100 0.087 0.000 1.401 307 R CB 0.799 31.141 30.300 0.070 0.000 1.145 307 R HN 0.452 nan 8.270 nan 0.000 0.581 308 L N 3.484 124.768 121.223 0.102 0.000 2.261 308 L HA 0.364 4.704 4.340 -0.000 0.000 0.289 308 L C -0.724 176.179 176.870 0.054 0.000 1.059 308 L CA -0.237 54.651 54.840 0.079 0.000 0.816 308 L CB 1.399 43.516 42.059 0.096 0.000 1.191 308 L HN 0.132 nan 8.230 nan 0.000 0.431 309 V N 6.793 126.655 119.914 -0.086 0.000 2.555 309 V HA 0.416 4.535 4.120 -0.000 0.000 0.302 309 V C -0.156 175.733 176.094 -0.343 0.000 1.038 309 V CA -0.852 61.278 62.300 -0.283 0.000 0.887 309 V CB 2.033 33.524 31.823 -0.554 0.000 0.991 309 V HN 0.871 nan 8.190 nan 0.000 0.434 310 N N 5.339 123.829 118.700 -0.350 0.000 2.415 310 N HA 0.371 5.110 4.740 -0.000 0.000 0.246 310 N C 0.343 175.534 175.510 -0.532 0.000 1.078 310 N CA 0.338 53.197 53.050 -0.318 0.000 0.942 310 N CB 1.594 40.013 38.487 -0.114 0.000 1.140 310 N HN 0.793 nan 8.380 nan 0.000 0.501 311 A N 2.570 125.079 122.820 -0.518 0.000 2.415 311 A HA 0.198 4.517 4.320 -0.000 0.000 0.248 311 A C 0.492 177.898 177.584 -0.296 0.000 1.299 311 A CA -0.380 51.305 52.037 -0.586 0.000 0.899 311 A CB -0.241 18.406 19.000 -0.588 0.000 0.997 311 A HN 0.537 nan 8.150 nan 0.000 0.506 312 S N 0.798 116.408 115.700 -0.151 0.000 2.585 312 S HA 0.065 4.535 4.470 -0.000 0.000 0.273 312 S C 1.099 175.692 174.600 -0.012 0.000 1.339 312 S CA -0.393 57.794 58.200 -0.021 0.000 1.028 312 S CB 0.593 63.872 63.200 0.131 0.000 0.906 312 S HN 0.583 nan 8.310 nan 0.000 0.528 313 N N 1.783 120.475 118.700 -0.014 0.000 2.094 313 N HA -0.124 4.616 4.740 -0.000 0.000 0.191 313 N C 1.151 176.630 175.510 -0.052 0.000 1.023 313 N CA 1.790 54.819 53.050 -0.035 0.000 0.857 313 N CB -0.130 38.332 38.487 -0.042 0.000 1.013 313 N HN 0.707 nan 8.380 nan 0.000 0.426 314 A N -1.394 121.366 122.820 -0.100 0.000 2.212 314 A HA 0.165 4.485 4.320 -0.000 0.000 0.169 314 A C 0.633 178.195 177.584 -0.036 0.000 1.802 314 A CA -0.429 51.493 52.037 -0.192 0.000 1.344 314 A CB 0.040 18.692 19.000 -0.580 0.000 1.566 314 A HN 0.111 nan 8.150 nan 0.000 0.419 315 R N 1.029 121.536 120.500 0.012 0.000 2.538 315 R HA 0.294 4.634 4.340 -0.000 0.000 0.282 315 R C -1.055 175.285 176.300 0.066 0.000 1.009 315 R CA 0.204 56.393 56.100 0.147 0.000 1.063 315 R CB 0.009 30.309 30.300 0.000 0.000 0.945 315 R HN 0.380 nan 8.270 nan 0.000 0.414 316 I N 5.774 126.365 120.570 0.034 0.000 2.312 316 I HA 0.097 4.267 4.170 -0.000 0.000 0.291 316 I C -0.483 175.585 176.117 -0.081 0.000 1.031 316 I CA -0.473 60.843 61.300 0.027 0.000 1.293 316 I CB 0.607 38.630 38.000 0.038 0.000 1.403 316 I HN 0.538 nan 8.210 nan 0.000 0.484 317 Y N 5.025 125.329 120.300 0.006 0.000 2.402 317 Y HA 0.128 4.677 4.550 -0.000 0.000 0.333 317 Y C 0.336 176.216 175.900 -0.034 0.000 1.076 317 Y CA 0.057 58.150 58.100 -0.012 0.000 1.299 317 Y CB 0.388 38.833 38.460 -0.026 0.000 1.197 317 Y HN 0.502 nan 8.280 nan 0.000 0.517 318 N N 4.521 123.262 118.700 0.069 0.000 2.816 318 N HA 0.324 5.064 4.740 -0.000 0.000 0.236 318 N C -1.435 174.113 175.510 0.062 0.000 1.076 318 N CA -0.331 52.746 53.050 0.045 0.000 0.902 318 N CB 0.509 39.001 38.487 0.009 0.000 1.149 318 N HN 0.402 nan 8.380 nan 0.000 0.506 319 L N 1.765 123.029 121.223 0.070 0.000 2.305 319 L HA 0.498 4.838 4.340 -0.000 0.000 0.281 319 L C -0.292 176.592 176.870 0.024 0.000 1.085 319 L CA -0.731 54.144 54.840 0.058 0.000 0.813 319 L CB 0.770 42.852 42.059 0.037 0.000 1.157 319 L HN 0.102 nan 8.230 nan 0.000 0.436 320 V N 4.166 123.982 119.914 -0.163 0.000 2.588 320 V HA 0.308 4.428 4.120 -0.000 0.000 0.304 320 V C -0.360 175.346 176.094 -0.647 0.000 1.042 320 V CA -0.652 61.276 62.300 -0.620 0.000 0.877 320 V CB 2.294 33.861 31.823 -0.427 0.000 0.996 320 V HN 0.452 nan 8.190 nan 0.000 0.425 321 L N 7.103 127.657 121.223 -1.115 0.000 2.283 321 L HA 0.618 4.958 4.340 -0.000 0.000 0.287 321 L C -0.235 176.396 176.870 -0.398 0.000 1.073 321 L CA 0.416 54.969 54.840 -0.479 0.000 0.822 321 L CB 0.275 42.209 42.059 -0.209 0.000 1.186 321 L HN 0.664 nan 8.230 nan 0.000 0.436 322 I N 1.145 121.591 120.570 -0.208 0.000 2.910 322 I HA 0.712 4.882 4.170 -0.000 0.000 0.310 322 I C -0.731 175.344 176.117 -0.070 0.000 1.043 322 I CA -0.863 60.355 61.300 -0.137 0.000 1.053 322 I CB 1.938 39.868 38.000 -0.117 0.000 1.242 322 I HN 0.563 nan 8.210 nan 0.000 0.452 323 D N 2.053 122.421 120.400 -0.052 0.000 2.588 323 D HA 0.223 4.862 4.640 -0.000 0.000 0.268 323 D C 0.505 176.783 176.300 -0.037 0.000 1.176 323 D CA -0.366 53.612 54.000 -0.036 0.000 1.080 323 D CB 0.505 41.290 40.800 -0.025 0.000 1.186 323 D HN 0.630 nan 8.370 nan 0.000 0.619 324 E N -0.835 119.344 120.200 -0.034 0.000 2.265 324 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 324 E C 0.363 176.948 176.600 -0.024 0.000 0.996 324 E CA 1.139 57.520 56.400 -0.031 0.000 0.832 324 E CB -0.130 29.552 29.700 -0.031 0.000 0.756 324 E HN 0.355 nan 8.360 nan 0.000 0.491 325 D N 0.035 120.420 120.400 -0.024 0.000 2.342 325 D HA 0.023 4.662 4.640 -0.000 0.000 0.221 325 D C -0.410 175.875 176.300 -0.025 0.000 1.101 325 D CA 0.138 54.126 54.000 -0.021 0.000 0.837 325 D CB 0.317 41.106 40.800 -0.018 0.000 0.938 325 D HN -0.036 nan 8.370 nan 0.000 0.508 326 D N -0.029 120.352 120.400 -0.031 0.000 3.077 326 D HA -0.203 4.437 4.640 -0.000 0.000 0.212 326 D C 0.360 176.633 176.300 -0.045 0.000 1.125 326 D CA 0.464 54.441 54.000 -0.039 0.000 0.970 326 D CB -1.082 39.698 40.800 -0.034 0.000 1.110 326 D HN 0.291 nan 8.370 nan 0.000 0.419 327 R N 0.847 121.324 120.500 -0.039 0.000 2.267 327 R HA 0.310 4.650 4.340 -0.000 0.000 0.319 327 R C -2.471 173.799 176.300 -0.050 0.000 1.067 327 R CA -1.408 54.671 56.100 -0.034 0.000 0.936 327 R CB 0.658 30.946 30.300 -0.020 0.000 1.006 327 R HN -0.158 nan 8.270 nan 0.000 0.452 328 P HA -0.082 nan 4.420 nan 0.000 0.264 328 P C -0.985 176.322 177.300 0.012 0.000 1.183 328 P CA 0.073 63.127 63.100 -0.076 0.000 0.763 328 P CB 0.596 32.293 31.700 -0.005 0.000 0.807 329 V N 6.147 126.078 119.914 0.029 0.000 2.294 329 V HA 0.266 4.386 4.120 -0.000 0.000 0.272 329 V C -1.714 174.479 176.094 0.166 0.000 1.027 329 V CA -1.715 60.627 62.300 0.070 0.000 0.823 329 V CB 0.728 32.565 31.823 0.023 0.000 1.030 329 V HN 0.563 nan 8.190 nan 0.000 0.457 330 P HA 0.329 nan 4.420 nan 0.000 0.276 330 P C 0.792 178.070 177.300 -0.038 0.000 1.252 330 P CA 0.414 63.536 63.100 0.037 0.000 0.802 330 P CB 1.220 32.929 31.700 0.015 0.000 1.035 331 G N -0.275 108.456 108.800 -0.114 0.000 2.160 331 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.251 331 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.251 331 G C 0.384 175.195 174.900 -0.148 0.000 1.008 331 G CA 0.156 45.181 45.100 -0.126 0.000 0.724 331 G HN 0.439 nan 8.290 nan 0.000 0.514 332 V N -1.326 118.460 119.914 -0.215 0.000 3.350 332 V HA 0.254 4.374 4.120 -0.000 0.000 0.246 332 V C 1.038 176.990 176.094 -0.238 0.000 1.363 332 V CA 0.998 63.169 62.300 -0.216 0.000 1.162 332 V CB 1.290 32.995 31.823 -0.197 0.000 0.947 332 V HN 0.233 nan 8.190 nan 0.000 0.454 333 V N 1.323 121.059 119.914 -0.296 0.000 2.435 333 V HA 0.531 4.651 4.120 -0.000 0.000 0.290 333 V C -0.974 174.921 176.094 -0.332 0.000 1.030 333 V CA -0.449 61.737 62.300 -0.189 0.000 0.881 333 V CB 1.175 32.937 31.823 -0.102 0.000 0.983 333 V HN 0.551 nan 8.190 nan 0.000 0.445 334 H N 2.293 121.372 119.070 0.014 0.000 2.689 334 H HA 0.432 4.988 4.556 -0.000 0.000 0.346 334 H C -0.359 175.000 175.328 0.052 0.000 1.037 334 H CA -0.448 55.627 56.048 0.045 0.000 1.234 334 H CB 1.347 31.190 29.762 0.135 0.000 1.572 334 H HN 0.652 nan 8.280 nan 0.000 0.524 335 Q N 3.340 123.218 119.800 0.130 0.000 2.288 335 Q HA 0.234 4.574 4.340 -0.000 0.000 0.258 335 Q C 0.468 176.533 176.000 0.110 0.000 0.957 335 Q CA -0.214 55.665 55.803 0.128 0.000 0.919 335 Q CB 0.638 29.455 28.738 0.133 0.000 1.185 335 Q HN 0.911 nan 8.270 nan 0.000 0.408 336 I N 0.270 120.900 120.570 0.099 0.000 4.288 336 I HA 0.560 4.730 4.170 -0.000 0.000 0.331 336 I C 0.455 176.596 176.117 0.040 0.000 1.322 336 I CA -0.268 61.069 61.300 0.062 0.000 1.149 336 I CB 1.066 39.103 38.000 0.062 0.000 1.112 336 I HN 0.482 nan 8.210 nan 0.000 0.403 337 G N 0.572 109.403 108.800 0.051 0.000 2.660 337 G HA2 0.650 4.610 3.960 -0.000 0.000 0.290 337 G HA3 0.650 4.610 3.960 -0.000 0.000 0.290 337 G C -1.183 173.728 174.900 0.019 0.000 1.432 337 G CA 0.043 45.167 45.100 0.041 0.000 0.807 337 G HN 0.292 nan 8.290 nan 0.000 0.485 338 S N -0.976 114.731 115.700 0.011 0.000 2.911 338 S HA 0.532 5.002 4.470 -0.000 0.000 0.319 338 S C 0.467 175.063 174.600 -0.006 0.000 1.154 338 S CA -0.159 57.998 58.200 -0.072 0.000 0.857 338 S CB 1.324 64.484 63.200 -0.065 0.000 1.279 338 S HN 0.383 nan 8.310 nan 0.000 0.593 339 D N 1.583 121.961 120.400 -0.035 0.000 2.248 339 D HA -0.132 4.508 4.640 -0.000 0.000 0.189 339 D C 1.637 178.064 176.300 0.212 0.000 1.011 339 D CA 2.298 56.349 54.000 0.085 0.000 0.868 339 D CB -1.003 39.858 40.800 0.102 0.000 0.931 339 D HN 0.788 nan 8.370 nan 0.000 0.449 340 G N -1.284 107.675 108.800 0.267 0.000 3.233 340 G HA2 0.472 4.431 3.960 -0.000 0.000 0.234 340 G HA3 0.472 4.431 3.960 -0.000 0.000 0.234 340 G C 0.697 175.780 174.900 0.306 0.000 1.137 340 G CA 0.497 45.805 45.100 0.347 0.000 0.763 340 G HN 0.696 nan 8.290 nan 0.000 0.549 341 G N -0.342 108.594 108.800 0.225 0.000 2.280 341 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.277 341 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.277 341 G C -0.490 174.511 174.900 0.167 0.000 1.288 341 G CA -0.929 44.272 45.100 0.167 0.000 1.075 341 G HN 0.416 nan 8.290 nan 0.000 0.480 342 L N 1.005 122.312 121.223 0.139 0.000 2.559 342 L HA 0.213 4.553 4.340 -0.000 0.000 0.282 342 L C 1.216 178.119 176.870 0.054 0.000 1.232 342 L CA -0.098 54.794 54.840 0.087 0.000 0.885 342 L CB 0.058 42.160 42.059 0.072 0.000 1.131 342 L HN 0.415 nan 8.230 nan 0.000 0.498 343 L N 5.595 126.794 121.223 -0.040 0.000 2.466 343 L HA 0.139 4.479 4.340 -0.000 0.000 0.257 343 L C -1.079 175.602 176.870 -0.314 0.000 1.189 343 L CA -1.416 53.306 54.840 -0.197 0.000 0.813 343 L CB 0.518 42.498 42.059 -0.132 0.000 1.118 343 L HN 0.480 nan 8.230 nan 0.000 0.471 344 P HA -0.043 nan 4.420 nan 0.000 0.221 344 P C -0.216 176.956 177.300 -0.213 0.000 1.150 344 P CA 1.274 64.074 63.100 -0.501 0.000 0.800 344 P CB 0.387 31.631 31.700 -0.760 0.000 0.787 345 R N -0.742 119.649 120.500 -0.182 0.000 2.668 345 R HA 0.404 4.744 4.340 -0.000 0.000 0.272 345 R C -2.837 173.431 176.300 -0.054 0.000 1.019 345 R CA -2.397 53.650 56.100 -0.089 0.000 0.894 345 R CB 1.607 31.864 30.300 -0.071 0.000 1.228 345 R HN -0.112 nan 8.270 nan 0.000 0.460 346 P HA 0.015 nan 4.420 nan 0.000 0.267 346 P C -0.530 176.796 177.300 0.044 0.000 1.200 346 P CA -0.134 62.989 63.100 0.039 0.000 0.772 346 P CB 0.655 32.400 31.700 0.074 0.000 0.855 347 V N 5.352 125.300 119.914 0.056 0.000 2.334 347 V HA 0.271 4.391 4.120 -0.000 0.000 0.281 347 V C -2.007 174.085 176.094 -0.003 0.000 1.016 347 V CA -1.995 60.318 62.300 0.020 0.000 0.832 347 V CB 1.318 33.146 31.823 0.008 0.000 0.999 347 V HN 0.540 nan 8.190 nan 0.000 0.439 348 P HA 0.191 nan 4.420 nan 0.000 0.271 348 P C -0.708 176.445 177.300 -0.244 0.000 1.216 348 P CA -0.034 62.958 63.100 -0.180 0.000 0.771 348 P CB 1.161 32.774 31.700 -0.146 0.000 0.864 349 V N 3.611 123.295 119.914 -0.382 0.000 2.305 349 V HA 0.174 4.294 4.120 -0.000 0.000 0.275 349 V C 0.393 175.969 176.094 -0.863 0.000 1.020 349 V CA -0.014 61.947 62.300 -0.565 0.000 0.811 349 V CB 0.980 32.477 31.823 -0.544 0.000 1.031 349 V HN 0.468 nan 8.190 nan 0.000 0.439 350 D N 3.381 123.389 120.400 -0.653 0.000 2.398 350 D HA 0.194 4.833 4.640 -0.000 0.000 0.210 350 D C 0.597 176.756 176.300 -0.236 0.000 1.094 350 D CA 0.052 53.801 54.000 -0.418 0.000 0.839 350 D CB 0.312 40.995 40.800 -0.196 0.000 0.963 350 D HN 0.547 nan 8.370 nan 0.000 0.506 351 F N 1.434 121.354 119.950 -0.050 0.000 3.039 351 F HA -0.257 4.270 4.527 -0.001 0.000 0.287 351 F C 0.690 176.472 175.800 -0.031 0.000 0.956 351 F CA 0.042 58.020 58.000 -0.037 0.000 0.971 351 F CB -1.855 37.122 39.000 -0.038 0.000 0.943 351 F HN 0.064 nan 8.300 nan 0.000 0.766 352 D N -1.074 119.355 120.400 0.048 0.000 3.318 352 D HA 0.293 4.932 4.640 -0.000 0.000 0.210 352 D C 1.023 177.336 176.300 0.021 0.000 1.157 352 D CA 0.709 54.727 54.000 0.029 0.000 1.234 352 D CB -0.108 40.689 40.800 -0.005 0.000 1.003 352 D HN -0.024 nan 8.370 nan 0.000 0.316 353 D N -1.394 119.007 120.400 0.002 0.000 2.525 353 D HA 0.069 4.708 4.640 -0.000 0.000 0.248 353 D C 1.906 178.204 176.300 -0.003 0.000 1.000 353 D CA 1.333 55.335 54.000 0.004 0.000 0.923 353 D CB -0.474 40.327 40.800 0.002 0.000 1.101 353 D HN 0.309 nan 8.370 nan 0.000 0.493 354 T N 0.565 115.111 114.554 -0.014 0.000 2.802 354 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 354 T C 0.570 175.253 174.700 -0.028 0.000 1.062 354 T CA 0.965 63.053 62.100 -0.021 0.000 1.133 354 T CB 0.151 68.999 68.868 -0.033 0.000 0.852 354 T HN -0.046 nan 8.240 nan 0.000 0.485 355 L N 0.955 122.155 121.223 -0.039 0.000 2.513 355 L HA 0.293 4.632 4.340 -0.000 0.000 0.256 355 L C -2.323 174.530 176.870 -0.027 0.000 1.163 355 L CA -1.167 53.644 54.840 -0.047 0.000 0.895 355 L CB 1.783 43.781 42.059 -0.102 0.000 1.076 355 L HN -0.234 nan 8.230 nan 0.000 0.491 356 P HA 0.051 nan 4.420 nan 0.000 0.227 356 P C 0.120 177.553 177.300 0.222 0.000 1.161 356 P CA 0.805 63.974 63.100 0.114 0.000 0.788 356 P CB 0.464 32.207 31.700 0.071 0.000 0.822 357 V N -3.424 116.586 119.914 0.160 0.000 2.925 357 V HA 0.540 4.660 4.120 -0.000 0.000 0.311 357 V C -0.863 175.306 176.094 0.125 0.000 1.104 357 V CA -1.722 60.695 62.300 0.194 0.000 0.954 357 V CB 2.159 34.040 31.823 0.097 0.000 1.022 357 V HN -0.207 nan 8.190 nan 0.000 0.427 358 L N 3.304 124.615 121.223 0.147 0.000 2.283 358 L HA 0.572 4.912 4.340 -0.000 0.000 0.287 358 L C 0.588 177.404 176.870 -0.091 0.000 1.073 358 L CA 0.693 55.523 54.840 -0.017 0.000 0.822 358 L CB 0.965 42.985 42.059 -0.065 0.000 1.186 358 L HN 0.975 nan 8.230 nan 0.000 0.436 359 S N 4.666 120.332 115.700 -0.058 0.000 2.409 359 S HA 0.686 5.155 4.470 -0.000 0.000 0.308 359 S C 0.027 174.621 174.600 -0.009 0.000 1.080 359 S CA -0.446 57.751 58.200 -0.005 0.000 1.081 359 S CB 0.044 63.283 63.200 0.065 0.000 1.009 359 S HN 0.803 nan 8.310 nan 0.000 0.502 360 A N 4.733 127.510 122.820 -0.072 0.000 2.540 360 A HA 0.738 5.057 4.320 -0.000 0.000 0.340 360 A C 0.531 178.208 177.584 0.155 0.000 1.424 360 A CA -0.568 51.464 52.037 -0.009 0.000 0.940 360 A CB -0.066 18.801 19.000 -0.220 0.000 1.149 360 A HN 1.021 nan 8.150 nan 0.000 0.505 361 A N 3.788 126.724 122.820 0.193 0.000 2.313 361 A HA 0.679 4.999 4.320 -0.000 0.000 0.261 361 A C -2.492 175.123 177.584 0.051 0.000 1.090 361 A CA -1.524 50.583 52.037 0.117 0.000 0.807 361 A CB -0.333 18.730 19.000 0.105 0.000 1.055 361 A HN 0.532 nan 8.150 nan 0.000 0.492 362 P HA 0.229 nan 4.420 nan 0.000 0.262 362 P C 0.519 177.646 177.300 -0.287 0.000 1.182 362 P CA 2.046 65.084 63.100 -0.103 0.000 0.761 362 P CB 0.826 32.531 31.700 0.007 0.000 0.795 363 A N 2.274 124.807 122.820 -0.478 0.000 3.526 363 A HA -0.227 4.093 4.320 -0.000 0.000 0.254 363 A C 0.509 177.818 177.584 -0.458 0.000 1.109 363 A CA 0.682 52.364 52.037 -0.592 0.000 1.395 363 A CB -2.409 16.078 19.000 -0.855 0.000 1.057 363 A HN 0.563 nan 8.150 nan 0.000 0.901 364 E N -0.424 119.608 120.200 -0.279 0.000 2.373 364 E HA 0.531 4.881 4.350 -0.000 0.000 0.263 364 E C 0.201 176.630 176.600 -0.285 0.000 1.073 364 E CA -0.365 55.887 56.400 -0.247 0.000 0.894 364 E CB 0.498 30.128 29.700 -0.118 0.000 1.008 364 E HN 0.479 nan 8.360 nan 0.000 0.420 365 R N 1.282 121.519 120.500 -0.437 0.000 2.670 365 R HA 0.491 4.831 4.340 -0.000 0.000 0.289 365 R C -1.197 174.812 176.300 -0.484 0.000 0.965 365 R CA -0.511 55.426 56.100 -0.271 0.000 0.899 365 R CB 1.235 31.461 30.300 -0.123 0.000 1.173 365 R HN 0.363 nan 8.270 nan 0.000 0.456 366 F N 0.575 120.514 119.950 -0.019 0.000 2.562 366 F HA 0.225 4.752 4.527 -0.000 0.000 0.319 366 F C -0.345 175.468 175.800 0.022 0.000 1.154 366 F CA -0.975 57.032 58.000 0.011 0.000 0.931 366 F CB 1.959 40.965 39.000 0.011 0.000 1.198 366 F HN 0.297 nan 8.300 nan 0.000 0.444 367 D N 4.996 125.495 120.400 0.165 0.000 2.428 367 D HA 0.393 5.033 4.640 -0.000 0.000 0.221 367 D C -0.961 175.419 176.300 0.133 0.000 1.123 367 D CA -0.017 54.054 54.000 0.118 0.000 0.869 367 D CB 0.676 41.520 40.800 0.074 0.000 1.032 367 D HN 0.446 nan 8.370 nan 0.000 0.506 368 L N 4.148 125.451 121.223 0.134 0.000 2.296 368 L HA 0.425 4.765 4.340 -0.000 0.000 0.286 368 L C 0.092 177.032 176.870 0.117 0.000 1.023 368 L CA -0.900 54.016 54.840 0.127 0.000 0.812 368 L CB 1.602 43.727 42.059 0.110 0.000 1.223 368 L HN 0.159 nan 8.230 nan 0.000 0.421 369 L N 4.168 125.485 121.223 0.156 0.000 2.292 369 L HA 0.490 4.830 4.340 -0.000 0.000 0.284 369 L C -0.422 176.565 176.870 0.196 0.000 1.065 369 L CA -0.661 54.300 54.840 0.201 0.000 0.806 369 L CB 1.748 43.961 42.059 0.256 0.000 1.175 369 L HN 0.305 nan 8.230 nan 0.000 0.431 370 V N 1.870 121.797 119.914 0.022 0.000 2.407 370 V HA 0.164 4.284 4.120 -0.000 0.000 0.291 370 V C -0.472 175.248 176.094 -0.624 0.000 1.018 370 V CA -0.586 61.492 62.300 -0.370 0.000 0.842 370 V CB 1.809 33.213 31.823 -0.699 0.000 0.996 370 V HN 0.627 nan 8.190 nan 0.000 0.426 371 D N 4.174 124.101 120.400 -0.789 0.000 2.422 371 D HA 0.258 4.897 4.640 -0.000 0.000 0.227 371 D C 0.160 176.013 176.300 -0.746 0.000 1.190 371 D CA -0.280 53.016 54.000 -1.174 0.000 0.905 371 D CB 0.499 40.399 40.800 -1.500 0.000 1.034 371 D HN 0.355 nan 8.370 nan 0.000 0.507 372 F N 2.214 121.952 119.950 -0.353 0.000 2.664 372 F HA 0.279 4.806 4.527 -0.001 0.000 0.301 372 F C 2.105 177.799 175.800 -0.178 0.000 1.126 372 F CA -0.293 57.570 58.000 -0.228 0.000 1.373 372 F CB -0.034 38.861 39.000 -0.175 0.000 1.042 372 F HN 0.258 nan 8.300 nan 0.000 0.535 373 R N 0.492 120.926 120.500 -0.110 0.000 2.091 373 R HA -0.110 4.230 4.340 -0.000 0.000 0.238 373 R C 1.849 178.145 176.300 -0.006 0.000 1.136 373 R CA 1.401 57.473 56.100 -0.048 0.000 0.959 373 R CB -0.300 29.950 30.300 -0.083 0.000 0.856 373 R HN 0.252 nan 8.270 nan 0.000 0.437 374 A N -0.040 122.766 122.820 -0.023 0.000 2.462 374 A HA 0.218 4.538 4.320 -0.000 0.000 0.261 374 A C 0.883 178.470 177.584 0.005 0.000 1.323 374 A CA -0.046 51.987 52.037 -0.006 0.000 0.913 374 A CB 0.279 19.270 19.000 -0.015 0.000 1.028 374 A HN 0.167 nan 8.150 nan 0.000 0.511 375 L N -0.280 120.956 121.223 0.022 0.000 3.267 375 L HA 0.261 4.601 4.340 -0.000 0.000 0.289 375 L C 1.156 178.020 176.870 -0.010 0.000 1.260 375 L CA -0.507 54.345 54.840 0.021 0.000 1.034 375 L CB 0.761 42.866 42.059 0.076 0.000 1.413 375 L HN 0.404 nan 8.230 nan 0.000 0.594 376 G N -0.539 108.256 108.800 -0.008 0.000 2.321 376 G HA2 0.309 4.269 3.960 -0.000 0.000 0.237 376 G HA3 0.309 4.269 3.960 -0.000 0.000 0.237 376 G C 1.142 176.022 174.900 -0.033 0.000 1.282 376 G CA 0.655 45.741 45.100 -0.024 0.000 0.886 376 G HN 0.477 nan 8.290 nan 0.000 0.528 377 G N 1.248 110.019 108.800 -0.049 0.000 2.162 377 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.260 377 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.260 377 G C 0.645 175.511 174.900 -0.057 0.000 0.976 377 G CA 0.528 45.599 45.100 -0.049 0.000 0.655 377 G HN 0.796 nan 8.290 nan 0.000 0.533 378 R N -0.423 120.036 120.500 -0.068 0.000 2.758 378 R HA 0.731 5.070 4.340 -0.000 0.000 0.265 378 R C 0.192 176.438 176.300 -0.090 0.000 1.016 378 R CA -0.798 55.264 56.100 -0.064 0.000 1.040 378 R CB 0.911 31.186 30.300 -0.041 0.000 1.152 378 R HN 0.318 nan 8.270 nan 0.000 0.503 379 R N 1.380 121.832 120.500 -0.081 0.000 2.451 379 R HA 0.479 4.819 4.340 -0.000 0.000 0.307 379 R C -0.643 175.613 176.300 -0.074 0.000 0.965 379 R CA -0.513 55.526 56.100 -0.101 0.000 0.865 379 R CB 1.317 31.542 30.300 -0.125 0.000 1.174 379 R HN 0.328 nan 8.270 nan 0.000 0.455 380 L N 2.740 123.945 121.223 -0.031 0.000 2.334 380 L HA 0.628 4.968 4.340 -0.000 0.000 0.273 380 L C 0.057 176.939 176.870 0.020 0.000 1.013 380 L CA -0.956 53.898 54.840 0.025 0.000 0.816 380 L CB 1.848 43.971 42.059 0.107 0.000 1.278 380 L HN 0.363 nan 8.230 nan 0.000 0.431 381 R N 1.713 122.198 120.500 -0.024 0.000 2.494 381 R HA 0.565 4.905 4.340 -0.000 0.000 0.305 381 R C -1.295 175.013 176.300 0.013 0.000 0.959 381 R CA -0.933 55.127 56.100 -0.068 0.000 0.864 381 R CB 2.144 32.379 30.300 -0.108 0.000 1.159 381 R HN 0.292 nan 8.270 nan 0.000 0.446 382 L N 4.679 125.940 121.223 0.063 0.000 2.276 382 L HA 0.422 4.762 4.340 -0.000 0.000 0.286 382 L C -0.639 176.260 176.870 0.048 0.000 1.061 382 L CA -0.294 54.589 54.840 0.071 0.000 0.807 382 L CB 1.511 43.673 42.059 0.173 0.000 1.177 382 L HN 0.492 nan 8.230 nan 0.000 0.429 383 V N 1.086 121.004 119.914 0.008 0.000 3.001 383 V HA 0.638 4.758 4.120 -0.000 0.000 0.314 383 V C -0.736 175.397 176.094 0.064 0.000 1.099 383 V CA -0.981 61.343 62.300 0.039 0.000 0.989 383 V CB 1.924 33.744 31.823 -0.004 0.000 1.040 383 V HN 0.690 nan 8.190 nan 0.000 0.434 384 D N 2.151 122.624 120.400 0.122 0.000 2.277 384 D HA 0.259 4.899 4.640 -0.000 0.000 0.249 384 D C -0.270 176.038 176.300 0.013 0.000 1.134 384 D CA 0.047 54.113 54.000 0.111 0.000 0.863 384 D CB 1.272 42.154 40.800 0.136 0.000 1.143 384 D HN 0.779 nan 8.370 nan 0.000 0.458 385 K N 2.675 123.069 120.400 -0.010 0.000 2.234 385 K HA 0.515 4.834 4.320 -0.000 0.000 0.282 385 K C 0.212 176.779 176.600 -0.054 0.000 1.039 385 K CA -0.719 55.547 56.287 -0.035 0.000 0.928 385 K CB 0.916 33.400 32.500 -0.028 0.000 1.039 385 K HN 0.533 nan 8.250 nan 0.000 0.470 386 G N 3.634 112.395 108.800 -0.066 0.000 2.476 386 G HA2 0.156 4.116 3.960 -0.000 0.000 0.269 386 G HA3 0.156 4.116 3.960 -0.000 0.000 0.269 386 G C -1.512 173.345 174.900 -0.071 0.000 1.195 386 G CA -1.238 43.811 45.100 -0.085 0.000 0.843 386 G HN 0.522 nan 8.290 nan 0.000 0.545 387 P HA -0.032 nan 4.420 nan 0.000 0.222 387 P C 1.310 178.578 177.300 -0.055 0.000 1.147 387 P CA 1.314 64.377 63.100 -0.061 0.000 0.790 387 P CB 0.343 32.002 31.700 -0.068 0.000 0.780 388 G N -1.256 107.506 108.800 -0.064 0.000 3.337 388 G HA2 0.501 4.461 3.960 -0.000 0.000 0.246 388 G HA3 0.501 4.461 3.960 -0.000 0.000 0.246 388 G C 0.224 175.092 174.900 -0.053 0.000 1.131 388 G CA 0.419 45.485 45.100 -0.057 0.000 0.773 388 G HN 0.548 nan 8.290 nan 0.000 0.544 389 A N -0.272 122.517 122.820 -0.052 0.000 2.612 389 A HA 0.787 5.106 4.320 -0.000 0.000 0.293 389 A C -3.109 174.449 177.584 -0.042 0.000 1.075 389 A CA -1.156 50.852 52.037 -0.047 0.000 0.680 389 A CB 1.049 20.016 19.000 -0.055 0.000 1.279 389 A HN -0.027 nan 8.150 nan 0.000 0.411 390 P HA 0.368 nan 4.420 nan 0.000 0.269 390 P C 0.035 177.310 177.300 -0.042 0.000 1.215 390 P CA 0.279 63.358 63.100 -0.034 0.000 0.780 390 P CB 0.487 32.168 31.700 -0.031 0.000 0.898 391 A N 1.974 124.767 122.820 -0.045 0.000 2.546 391 A HA 0.408 4.728 4.320 -0.000 0.000 0.243 391 A C 1.542 179.092 177.584 -0.056 0.000 1.063 391 A CA 0.924 52.926 52.037 -0.058 0.000 0.757 391 A CB -1.475 17.475 19.000 -0.084 0.000 0.991 391 A HN 0.864 nan 8.150 nan 0.000 0.503 392 G N 1.895 110.664 108.800 -0.051 0.000 2.284 392 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.230 392 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.230 392 G C 0.495 175.370 174.900 -0.042 0.000 1.021 392 G CA 0.393 45.468 45.100 -0.042 0.000 0.619 392 G HN 1.204 nan 8.290 nan 0.000 0.510 393 T N 4.190 118.716 114.554 -0.046 0.000 2.771 393 T HA 0.543 4.893 4.350 -0.000 0.000 0.291 393 T C -2.199 172.464 174.700 -0.061 0.000 0.954 393 T CA -0.710 61.361 62.100 -0.049 0.000 1.045 393 T CB 1.856 70.697 68.868 -0.045 0.000 0.917 393 T HN 0.093 nan 8.240 nan 0.000 0.484 394 P HA 0.055 nan 4.420 nan 0.000 0.264 394 P C -0.343 176.894 177.300 -0.104 0.000 1.179 394 P CA 0.285 63.325 63.100 -0.100 0.000 0.763 394 P CB 0.350 31.985 31.700 -0.109 0.000 0.806 395 D N 3.790 124.114 120.400 -0.125 0.000 2.849 395 D HA 0.156 4.796 4.640 -0.000 0.000 0.314 395 D C -1.846 174.363 176.300 -0.151 0.000 1.210 395 D CA -1.927 52.000 54.000 -0.121 0.000 0.756 395 D CB 0.341 41.078 40.800 -0.105 0.000 1.222 395 D HN 0.037 nan 8.370 nan 0.000 0.521 396 P HA -0.124 nan 4.420 nan 0.000 0.216 396 P C 1.960 179.164 177.300 -0.161 0.000 1.150 396 P CA 0.484 63.468 63.100 -0.192 0.000 0.837 396 P CB 0.671 32.253 31.700 -0.196 0.000 0.786 397 L N -0.824 120.320 121.223 -0.133 0.000 2.131 397 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 397 L C 2.225 179.016 176.870 -0.132 0.000 1.092 397 L CA 1.717 56.486 54.840 -0.118 0.000 0.759 397 L CB -1.049 40.954 42.059 -0.094 0.000 0.903 397 L HN 0.072 nan 8.230 nan 0.000 0.435 398 G N -2.014 106.704 108.800 -0.138 0.000 3.314 398 G HA2 0.296 4.255 3.960 -0.000 0.000 0.238 398 G HA3 0.296 4.255 3.960 -0.000 0.000 0.238 398 G C 1.062 175.844 174.900 -0.197 0.000 1.184 398 G CA 0.377 45.385 45.100 -0.152 0.000 0.806 398 G HN 0.505 nan 8.290 nan 0.000 0.536 399 G N -1.143 107.530 108.800 -0.212 0.000 2.143 399 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.249 399 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.249 399 G C 0.167 174.933 174.900 -0.224 0.000 0.981 399 G CA 0.206 45.153 45.100 -0.255 0.000 0.665 399 G HN 0.906 nan 8.290 nan 0.000 0.528 400 V N 1.031 120.830 119.914 -0.191 0.000 2.320 400 V HA 0.350 4.470 4.120 -0.000 0.000 0.257 400 V C 1.503 177.481 176.094 -0.193 0.000 0.996 400 V CA 0.310 62.513 62.300 -0.163 0.000 0.928 400 V CB 0.707 32.456 31.823 -0.124 0.000 1.169 400 V HN 0.452 nan 8.190 nan 0.000 0.475 401 R N 2.442 122.772 120.500 -0.283 0.000 2.091 401 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 401 R C -0.191 175.786 176.300 -0.539 0.000 1.136 401 R CA 1.744 57.551 56.100 -0.489 0.000 0.959 401 R CB 0.090 29.968 30.300 -0.703 0.000 0.856 401 R HN 0.560 nan 8.270 nan 0.000 0.437 402 Y N -0.845 119.415 120.300 -0.068 0.000 2.447 402 Y HA 0.349 4.899 4.550 -0.000 0.000 0.325 402 Y C -1.904 173.935 175.900 -0.101 0.000 0.976 402 Y CA -2.745 55.288 58.100 -0.111 0.000 1.280 402 Y CB 2.145 40.585 38.460 -0.033 0.000 1.104 402 Y HN 0.051 nan 8.280 nan 0.000 0.486 403 P HA -0.108 nan 4.420 nan 0.000 0.221 403 P C -0.440 176.866 177.300 0.009 0.000 1.150 403 P CA 0.967 64.067 63.100 -0.001 0.000 0.800 403 P CB 0.270 31.951 31.700 -0.032 0.000 0.787 404 E N -0.748 119.357 120.200 -0.159 0.000 2.652 404 E HA -0.018 4.332 4.350 -0.000 0.000 0.255 404 E C 0.900 177.529 176.600 0.047 0.000 0.952 404 E CA 0.204 56.478 56.400 -0.210 0.000 0.947 404 E CB 0.272 29.434 29.700 -0.897 0.000 0.912 404 E HN -0.056 nan 8.360 nan 0.000 0.489 405 V N 3.264 123.309 119.914 0.219 0.000 2.735 405 V HA 0.214 4.334 4.120 -0.000 0.000 0.234 405 V C 0.496 176.797 176.094 0.346 0.000 1.121 405 V CA 1.034 63.517 62.300 0.305 0.000 1.160 405 V CB -0.162 31.754 31.823 0.156 0.000 0.908 405 V HN 0.792 nan 8.190 nan 0.000 0.495 406 M N -0.759 118.972 119.600 0.219 0.000 2.773 406 M HA 0.648 5.128 4.480 -0.000 0.000 0.270 406 M C -1.326 174.829 176.300 -0.241 0.000 1.238 406 M CA -0.578 54.791 55.300 0.115 0.000 0.832 406 M CB 2.698 35.229 32.600 -0.115 0.000 1.672 406 M HN 0.085 nan 8.290 nan 0.000 0.480 407 E N 1.003 120.880 120.200 -0.538 0.000 2.238 407 E HA 0.628 4.978 4.350 -0.000 0.000 0.267 407 E C -2.108 174.124 176.600 -0.614 0.000 0.887 407 E CA -0.659 55.296 56.400 -0.741 0.000 0.769 407 E CB 1.855 30.785 29.700 -1.283 0.000 1.187 407 E HN 0.606 nan 8.360 nan 0.000 0.416 408 F N 2.582 122.389 119.950 -0.239 0.000 2.420 408 F HA 0.456 4.982 4.527 -0.001 0.000 0.342 408 F C 0.383 175.999 175.800 -0.306 0.000 1.113 408 F CA -0.756 57.082 58.000 -0.270 0.000 1.059 408 F CB 1.465 40.266 39.000 -0.333 0.000 1.128 408 F HN 0.238 nan 8.300 nan 0.000 0.475 409 R N 2.900 123.323 120.500 -0.128 0.000 2.272 409 R HA 0.474 4.814 4.340 -0.000 0.000 0.323 409 R C -1.409 174.765 176.300 -0.211 0.000 1.002 409 R CA -0.694 55.309 56.100 -0.161 0.000 0.900 409 R CB 1.392 31.606 30.300 -0.142 0.000 1.151 409 R HN 0.385 nan 8.270 nan 0.000 0.507 410 V N 3.720 123.483 119.914 -0.251 0.000 2.389 410 V HA 0.223 4.343 4.120 -0.000 0.000 0.264 410 V C 0.813 176.821 176.094 -0.144 0.000 1.049 410 V CA -0.543 61.589 62.300 -0.281 0.000 0.932 410 V CB 0.688 32.331 31.823 -0.299 0.000 1.011 410 V HN 0.579 nan 8.190 nan 0.000 0.475 411 R N 3.458 123.896 120.500 -0.103 0.000 2.340 411 R HA 0.190 4.530 4.340 -0.000 0.000 0.300 411 R C 0.191 176.476 176.300 -0.025 0.000 1.069 411 R CA -0.372 55.698 56.100 -0.049 0.000 0.984 411 R CB 0.662 30.949 30.300 -0.022 0.000 1.003 411 R HN 0.834 nan 8.270 nan 0.000 0.459 412 E N 2.780 122.969 120.200 -0.019 0.000 2.265 412 E HA -0.005 4.345 4.350 -0.000 0.000 0.272 412 E C -0.313 176.294 176.600 0.010 0.000 1.067 412 E CA 0.071 56.469 56.400 -0.002 0.000 0.900 412 E CB 0.655 30.352 29.700 -0.005 0.000 1.017 412 E HN 0.637 nan 8.360 nan 0.000 0.431 413 T N 0.041 114.610 114.554 0.024 0.000 2.870 413 T HA 0.300 4.650 4.350 -0.000 0.000 0.277 413 T C 0.589 175.307 174.700 0.030 0.000 1.000 413 T CA -0.819 61.298 62.100 0.029 0.000 0.982 413 T CB 1.309 70.202 68.868 0.042 0.000 1.249 413 T HN 0.515 nan 8.240 nan 0.000 0.589 414 C N 0.612 119.930 119.300 0.030 0.000 2.974 414 C HA 0.367 4.827 4.460 -0.000 0.000 0.282 414 C C 0.859 175.871 174.990 0.037 0.000 1.292 414 C CA -0.376 58.660 59.018 0.030 0.000 1.710 414 C CB -1.779 25.975 27.740 0.023 0.000 2.036 414 C HN 0.831 nan 8.230 nan 0.000 0.629 415 E N 1.792 122.019 120.200 0.045 0.000 2.392 415 E HA 0.254 4.604 4.350 -0.000 0.000 0.256 415 E C 0.010 176.648 176.600 0.064 0.000 1.145 415 E CA 0.266 56.698 56.400 0.052 0.000 0.929 415 E CB 0.474 30.208 29.700 0.057 0.000 0.998 415 E HN 0.313 nan 8.360 nan 0.000 0.442 416 E N 1.857 122.099 120.200 0.071 0.000 2.402 416 E HA 0.082 4.431 4.350 -0.000 0.000 0.244 416 E C -1.638 175.027 176.600 0.108 0.000 0.945 416 E CA -0.509 55.940 56.400 0.081 0.000 0.774 416 E CB 0.625 30.361 29.700 0.061 0.000 1.296 416 E HN 0.203 nan 8.360 nan 0.000 0.414 417 D N 2.801 123.294 120.400 0.154 0.000 2.336 417 D HA 0.034 4.674 4.640 -0.000 0.000 0.249 417 D C 0.298 176.746 176.300 0.247 0.000 1.213 417 D CA 0.094 54.230 54.000 0.226 0.000 0.870 417 D CB 1.041 42.045 40.800 0.341 0.000 1.076 417 D HN 0.439 nan 8.370 nan 0.000 0.483 418 S N 3.906 119.710 115.700 0.174 0.000 2.577 418 S HA 0.042 4.512 4.470 -0.000 0.000 0.219 418 S C 0.718 175.363 174.600 0.075 0.000 0.962 418 S CA -0.745 57.525 58.200 0.116 0.000 0.921 418 S CB -0.471 62.764 63.200 0.057 0.000 0.789 418 S HN 0.378 nan 8.310 nan 0.000 0.497 419 F N 3.239 123.151 119.950 -0.063 0.000 2.607 419 F HA 0.410 4.937 4.527 -0.000 0.000 0.374 419 F C 0.294 175.891 175.800 -0.339 0.000 1.104 419 F CA -0.275 57.555 58.000 -0.283 0.000 1.296 419 F CB 0.149 38.816 39.000 -0.554 0.000 1.085 419 F HN 0.279 nan 8.300 nan 0.000 0.584 420 A N 7.363 129.438 122.820 -1.241 0.000 2.318 420 A HA 0.615 4.935 4.320 -0.000 0.000 0.324 420 A C -1.651 175.185 177.584 -1.248 0.000 1.170 420 A CA -0.775 50.713 52.037 -0.914 0.000 0.810 420 A CB 1.145 19.842 19.000 -0.506 0.000 1.198 420 A HN 0.846 nan 8.150 nan 0.000 0.484 421 L N 5.356 126.132 121.223 -0.746 0.000 2.280 421 L HA 0.662 5.002 4.340 -0.000 0.000 0.287 421 L C -2.112 174.593 176.870 -0.276 0.000 1.023 421 L CA -1.319 53.217 54.840 -0.507 0.000 0.819 421 L CB 1.165 43.008 42.059 -0.359 0.000 1.212 421 L HN 0.567 nan 8.230 nan 0.000 0.420 422 P HA 0.344 nan 4.420 nan 0.000 0.281 422 P C -0.312 176.938 177.300 -0.084 0.000 1.264 422 P CA -0.474 62.540 63.100 -0.143 0.000 0.824 422 P CB 1.215 32.835 31.700 -0.134 0.000 1.092 423 E N -0.376 119.789 120.200 -0.058 0.000 2.107 423 E HA 0.028 4.378 4.350 -0.000 0.000 0.191 423 E C 0.202 176.782 176.600 -0.032 0.000 0.982 423 E CA 0.835 57.216 56.400 -0.032 0.000 0.809 423 E CB 0.057 29.743 29.700 -0.024 0.000 0.756 423 E HN 0.174 nan 8.360 nan 0.000 0.459 424 V N 2.162 122.054 119.914 -0.036 0.000 2.394 424 V HA 0.031 4.150 4.120 -0.000 0.000 0.282 424 V C 0.625 176.696 176.094 -0.038 0.000 1.031 424 V CA -0.088 62.192 62.300 -0.032 0.000 0.881 424 V CB 1.716 33.528 31.823 -0.018 0.000 0.982 424 V HN 0.080 nan 8.190 nan 0.000 0.451 425 L N 4.316 125.516 121.223 -0.039 0.000 2.347 425 L HA 0.398 4.738 4.340 -0.000 0.000 0.196 425 L C 1.247 178.110 176.870 -0.013 0.000 1.072 425 L CA 1.308 56.127 54.840 -0.035 0.000 0.817 425 L CB 0.444 42.480 42.059 -0.040 0.000 1.029 425 L HN 0.619 nan 8.230 nan 0.000 0.478 426 S N -0.967 114.735 115.700 0.003 0.000 2.437 426 S HA 0.522 4.992 4.470 -0.000 0.000 0.305 426 S C 0.896 175.548 174.600 0.086 0.000 1.109 426 S CA -0.178 58.056 58.200 0.057 0.000 1.099 426 S CB 1.406 64.672 63.200 0.110 0.000 1.004 426 S HN 0.395 nan 8.310 nan 0.000 0.475 427 G N 2.131 110.972 108.800 0.068 0.000 2.603 427 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.214 427 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.214 427 G C 1.445 176.392 174.900 0.077 0.000 1.140 427 G CA 0.594 45.731 45.100 0.062 0.000 0.800 427 G HN 0.854 nan 8.290 nan 0.000 0.533 428 S N -0.195 115.560 115.700 0.091 0.000 2.489 428 S HA 0.178 4.648 4.470 -0.000 0.000 0.228 428 S C 0.814 175.480 174.600 0.109 0.000 0.995 428 S CA -0.573 57.672 58.200 0.076 0.000 0.934 428 S CB -0.358 62.876 63.200 0.057 0.000 0.771 428 S HN 0.146 nan 8.310 nan 0.000 0.522 429 F N 4.486 124.461 119.950 0.041 0.000 2.571 429 F HA 0.390 4.917 4.527 -0.001 0.000 0.384 429 F C 0.350 176.163 175.800 0.023 0.000 1.058 429 F CA -0.442 57.589 58.000 0.053 0.000 1.200 429 F CB 0.433 39.443 39.000 0.015 0.000 1.077 429 F HN -0.006 nan 8.300 nan 0.000 0.558 430 R N 5.074 125.081 120.500 -0.822 0.000 2.437 430 R HA 0.290 4.629 4.340 -0.000 0.000 0.310 430 R C -0.752 175.041 176.300 -0.844 0.000 0.955 430 R CA -1.295 54.459 56.100 -0.576 0.000 0.851 430 R CB 1.445 31.584 30.300 -0.270 0.000 1.161 430 R HN 0.610 nan 8.270 nan 0.000 0.446 431 R N 2.694 122.943 120.500 -0.419 0.000 2.421 431 R HA 0.127 4.467 4.340 -0.000 0.000 0.305 431 R C 0.221 176.438 176.300 -0.140 0.000 1.039 431 R CA 0.136 56.132 56.100 -0.173 0.000 1.003 431 R CB 0.362 30.696 30.300 0.056 0.000 0.959 431 R HN 0.449 nan 8.270 nan 0.000 0.427 432 M N 2.982 122.519 119.600 -0.106 0.000 2.269 432 M HA 0.004 4.484 4.480 -0.000 0.000 0.350 432 M C 0.092 176.378 176.300 -0.024 0.000 1.429 432 M CA 0.735 56.001 55.300 -0.056 0.000 1.063 432 M CB 0.796 33.384 32.600 -0.020 0.000 1.841 432 M HN 0.639 nan 8.290 nan 0.000 0.455 433 S N 2.467 118.144 115.700 -0.038 0.000 2.451 433 S HA 0.188 4.658 4.470 -0.000 0.000 0.301 433 S C 1.043 175.647 174.600 0.006 0.000 1.116 433 S CA -0.576 57.623 58.200 -0.002 0.000 1.093 433 S CB 0.630 63.823 63.200 -0.012 0.000 1.017 433 S HN 0.785 nan 8.310 nan 0.000 0.482 434 H N 3.150 122.207 119.070 -0.021 0.000 2.541 434 H HA -0.064 4.492 4.556 -0.000 0.000 0.289 434 H C 0.263 175.658 175.328 0.112 0.000 1.054 434 H CA 1.475 57.533 56.048 0.017 0.000 1.250 434 H CB 0.338 30.130 29.762 0.050 0.000 1.369 434 H HN 0.675 nan 8.280 nan 0.000 0.578 435 D N 0.460 120.877 120.400 0.028 0.000 2.323 435 D HA 0.006 4.646 4.640 -0.000 0.000 0.209 435 D C 0.871 177.139 176.300 -0.054 0.000 0.973 435 D CA 0.104 54.101 54.000 -0.004 0.000 0.874 435 D CB 0.451 41.259 40.800 0.014 0.000 0.930 435 D HN 0.393 nan 8.370 nan 0.000 0.521 436 I N 3.975 124.490 120.570 -0.092 0.000 2.662 436 I HA -0.010 4.160 4.170 -0.000 0.000 0.285 436 I C -1.973 174.109 176.117 -0.058 0.000 1.161 436 I CA -1.367 59.834 61.300 -0.165 0.000 1.415 436 I CB 0.010 37.774 38.000 -0.392 0.000 1.385 436 I HN -0.296 nan 8.210 nan 0.000 0.552 437 P HA -0.018 nan 4.420 nan 0.000 0.264 437 P C -0.807 176.474 177.300 -0.031 0.000 1.183 437 P CA 0.726 63.762 63.100 -0.106 0.000 0.763 437 P CB 0.296 31.953 31.700 -0.073 0.000 0.807 438 H N -0.058 118.960 119.070 -0.088 0.000 3.042 438 H HA 0.539 5.095 4.556 -0.000 0.000 0.346 438 H C -0.515 174.740 175.328 -0.122 0.000 1.294 438 H CA -1.026 54.975 56.048 -0.078 0.000 1.141 438 H CB 0.685 30.367 29.762 -0.133 0.000 1.872 438 H HN 0.485 nan 8.280 nan 0.000 0.541 439 G N 0.075 108.881 108.800 0.010 0.000 2.557 439 G HA2 0.437 4.397 3.960 -0.000 0.000 0.292 439 G HA3 0.437 4.397 3.960 -0.000 0.000 0.292 439 G C -1.215 173.589 174.900 -0.160 0.000 1.237 439 G CA -0.435 44.650 45.100 -0.024 0.000 0.978 439 G HN 0.695 nan 8.290 nan 0.000 0.498 440 H N -0.742 118.346 119.070 0.030 0.000 2.759 440 H HA 0.558 5.114 4.556 -0.000 0.000 0.354 440 H C -0.280 174.908 175.328 -0.234 0.000 1.074 440 H CA -0.749 55.298 56.048 -0.001 0.000 1.226 440 H CB 1.816 31.601 29.762 0.038 0.000 1.648 440 H HN 0.232 nan 8.280 nan 0.000 0.529 441 R N 1.899 122.213 120.500 -0.310 0.000 2.740 441 R HA 0.472 4.812 4.340 -0.000 0.000 0.282 441 R C -1.333 174.713 176.300 -0.423 0.000 0.969 441 R CA -1.252 54.462 56.100 -0.643 0.000 0.918 441 R CB 2.514 31.880 30.300 -1.556 0.000 1.175 441 R HN 0.443 nan 8.270 nan 0.000 0.464 442 L N 2.779 123.793 121.223 -0.349 0.000 2.343 442 L HA 0.531 4.871 4.340 -0.000 0.000 0.278 442 L C -1.294 175.457 176.870 -0.198 0.000 0.996 442 L CA -0.428 54.232 54.840 -0.301 0.000 0.831 442 L CB 1.133 42.950 42.059 -0.404 0.000 1.232 442 L HN 0.521 nan 8.230 nan 0.000 0.413 443 I N 5.892 126.349 120.570 -0.189 0.000 2.382 443 I HA 0.407 4.577 4.170 -0.000 0.000 0.286 443 I C -0.413 175.729 176.117 0.040 0.000 1.002 443 I CA -0.426 60.874 61.300 -0.000 0.000 1.135 443 I CB 1.862 39.900 38.000 0.063 0.000 1.288 443 I HN 0.236 nan 8.210 nan 0.000 0.448 444 V N 7.275 127.216 119.914 0.045 0.000 2.439 444 V HA 0.414 4.534 4.120 -0.000 0.000 0.282 444 V C 0.049 176.084 176.094 -0.099 0.000 1.039 444 V CA -0.582 61.677 62.300 -0.069 0.000 0.913 444 V CB 1.540 33.287 31.823 -0.126 0.000 0.983 444 V HN 0.433 nan 8.190 nan 0.000 0.460 445 L N 5.343 126.467 121.223 -0.164 0.000 2.287 445 L HA 0.589 4.929 4.340 -0.000 0.000 0.287 445 L C 0.364 177.021 176.870 -0.355 0.000 1.022 445 L CA -0.404 54.293 54.840 -0.239 0.000 0.814 445 L CB 1.665 43.599 42.059 -0.210 0.000 1.217 445 L HN 0.717 nan 8.230 nan 0.000 0.420 446 T N 0.356 114.643 114.554 -0.445 0.000 2.929 446 T HA 0.591 4.941 4.350 -0.000 0.000 0.284 446 T C -2.636 171.925 174.700 -0.232 0.000 1.014 446 T CA -2.375 59.399 62.100 -0.543 0.000 1.051 446 T CB 1.658 70.046 68.868 -0.799 0.000 1.028 446 T HN 0.201 nan 8.240 nan 0.000 0.485 447 P HA 0.214 nan 4.420 nan 0.000 0.269 447 P C -1.947 175.359 177.300 0.011 0.000 1.215 447 P CA -1.499 61.596 63.100 -0.008 0.000 0.780 447 P CB -0.225 31.503 31.700 0.046 0.000 0.898 448 P HA -0.158 nan 4.420 nan 0.000 0.217 448 P C 1.456 178.775 177.300 0.031 0.000 1.148 448 P CA 1.912 65.029 63.100 0.029 0.000 0.828 448 P CB -0.471 31.250 31.700 0.035 0.000 0.783 449 G N -1.344 107.483 108.800 0.044 0.000 2.708 449 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.210 449 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.210 449 G C 0.349 175.288 174.900 0.065 0.000 1.141 449 G CA 0.236 45.362 45.100 0.043 0.000 0.788 449 G HN 0.224 nan 8.290 nan 0.000 0.531 450 T N 0.898 115.514 114.554 0.103 0.000 2.916 450 T HA 0.162 4.512 4.350 -0.000 0.000 0.303 450 T C 0.559 175.358 174.700 0.165 0.000 1.025 450 T CA -0.262 61.936 62.100 0.163 0.000 1.142 450 T CB 1.357 70.367 68.868 0.237 0.000 0.947 450 T HN 0.250 nan 8.240 nan 0.000 0.544 451 K N 1.598 122.088 120.400 0.150 0.000 2.504 451 K HA 0.081 4.400 4.320 -0.000 0.000 0.278 451 K C 1.392 178.095 176.600 0.171 0.000 1.025 451 K CA 1.117 57.483 56.287 0.131 0.000 1.093 451 K CB -0.465 32.095 32.500 0.100 0.000 0.873 451 K HN 0.951 nan 8.250 nan 0.000 0.483 452 G N 2.157 111.028 108.800 0.118 0.000 2.199 452 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.254 452 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.254 452 G C 0.620 175.601 174.900 0.135 0.000 0.982 452 G CA 0.721 45.887 45.100 0.109 0.000 0.632 452 G HN 0.792 nan 8.290 nan 0.000 0.529 453 S N 0.224 116.020 115.700 0.160 0.000 2.593 453 S HA 0.402 4.872 4.470 -0.000 0.000 0.217 453 S C 2.169 176.834 174.600 0.109 0.000 0.966 453 S CA 1.317 59.621 58.200 0.173 0.000 0.914 453 S CB -0.021 63.291 63.200 0.186 0.000 0.776 453 S HN 2.310 nan 8.310 nan 0.000 0.523 454 G N 0.873 109.704 108.800 0.051 0.000 2.258 454 G HA2 0.004 3.963 3.960 -0.000 0.000 0.274 454 G HA3 0.004 3.963 3.960 -0.000 0.000 0.274 454 G C 1.103 175.858 174.900 -0.242 0.000 1.021 454 G CA 0.468 45.550 45.100 -0.029 0.000 0.798 454 G HN 1.892 nan 8.290 nan 0.000 0.507 455 G N -2.057 106.630 108.800 -0.189 0.000 2.175 455 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 455 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 455 G C 0.104 174.832 174.900 -0.286 0.000 0.982 455 G CA 0.633 45.584 45.100 -0.248 0.000 0.641 455 G HN 1.286 nan 8.290 nan 0.000 0.527 456 H N 1.176 120.272 119.070 0.044 0.000 2.472 456 H HA 0.462 5.018 4.556 -0.000 0.000 0.338 456 H C -2.199 173.116 175.328 -0.021 0.000 1.133 456 H CA -1.650 54.402 56.048 0.008 0.000 1.216 456 H CB 1.816 31.589 29.762 0.019 0.000 1.497 456 H HN 0.182 nan 8.280 nan 0.000 0.500 457 P HA 0.093 nan 4.420 nan 0.000 0.270 457 P C -0.426 176.856 177.300 -0.030 0.000 1.223 457 P CA -0.016 63.057 63.100 -0.044 0.000 0.785 457 P CB 1.617 33.260 31.700 -0.095 0.000 0.923 458 E N 0.260 120.426 120.200 -0.057 0.000 2.408 458 E HA 0.476 4.826 4.350 -0.000 0.000 0.275 458 E C -0.597 176.004 176.600 0.001 0.000 0.935 458 E CA -0.968 55.459 56.400 0.046 0.000 0.775 458 E CB 1.883 31.737 29.700 0.256 0.000 1.277 458 E HN 0.348 nan 8.360 nan 0.000 0.455 459 I N 1.528 122.170 120.570 0.118 0.000 2.428 459 I HA 0.215 4.384 4.170 -0.000 0.000 0.289 459 I C -0.927 175.434 176.117 0.406 0.000 1.019 459 I CA -0.190 61.220 61.300 0.182 0.000 1.351 459 I CB 0.562 38.665 38.000 0.172 0.000 1.412 459 I HN 0.274 nan 8.210 nan 0.000 0.513 460 W N 5.044 126.364 121.300 0.033 0.000 2.538 460 W HA 0.414 5.073 4.660 -0.001 0.000 0.322 460 W C -0.281 176.258 176.519 0.035 0.000 1.028 460 W CA -0.931 56.428 57.345 0.024 0.000 1.228 460 W CB 0.965 30.433 29.460 0.012 0.000 1.356 460 W HN 0.375 nan 8.180 nan 0.000 0.452 461 E N 3.215 123.531 120.200 0.194 0.000 2.313 461 E HA 0.382 4.731 4.350 -0.000 0.000 0.276 461 E C -0.084 176.599 176.600 0.138 0.000 1.031 461 E CA -0.409 56.083 56.400 0.154 0.000 0.857 461 E CB 0.935 30.666 29.700 0.052 0.000 1.040 461 E HN 0.030 nan 8.360 nan 0.000 0.408 462 M N 1.818 121.492 119.600 0.123 0.000 2.311 462 M HA 0.464 4.944 4.480 -0.000 0.000 0.325 462 M C -0.627 175.745 176.300 0.120 0.000 1.061 462 M CA -1.006 54.361 55.300 0.112 0.000 0.957 462 M CB 1.465 34.076 32.600 0.019 0.000 1.646 462 M HN 0.501 nan 8.290 nan 0.000 0.434 463 A N 2.280 125.198 122.820 0.163 0.000 2.303 463 A HA 0.519 4.838 4.320 -0.000 0.000 0.320 463 A C -0.113 177.621 177.584 0.251 0.000 1.192 463 A CA -0.655 51.481 52.037 0.166 0.000 0.821 463 A CB 0.692 19.752 19.000 0.100 0.000 1.188 463 A HN 0.844 nan 8.150 nan 0.000 0.492 464 E N 1.806 122.181 120.200 0.292 0.000 2.414 464 E HA 0.301 4.651 4.350 -0.000 0.000 0.263 464 E C -0.536 176.061 176.600 -0.005 0.000 1.000 464 E CA 0.068 56.529 56.400 0.102 0.000 0.914 464 E CB 0.570 30.302 29.700 0.052 0.000 0.948 464 E HN 0.425 nan 8.360 nan 0.000 0.444 465 V N 3.459 123.322 119.914 -0.084 0.000 3.096 465 V HA 0.395 4.514 4.120 -0.000 0.000 0.319 465 V C -0.051 176.004 176.094 -0.065 0.000 1.082 465 V CA -0.425 61.845 62.300 -0.051 0.000 1.022 465 V CB 1.891 33.689 31.823 -0.042 0.000 1.103 465 V HN 0.815 nan 8.190 nan 0.000 0.455 473 V N -1.118 118.805 119.914 0.015 0.000 3.001 473 V HA 0.946 5.066 4.120 -0.000 0.000 0.314 473 V C -2.326 173.779 176.094 0.019 0.000 1.099 473 V CA -1.861 60.454 62.300 0.024 0.000 0.989 473 V CB 1.117 32.959 31.823 0.032 0.000 1.040 473 V HN 0.343 nan 8.190 nan 0.000 0.434 474 P HA 0.715 nan 4.420 nan 0.000 0.271 474 P C -0.544 176.769 177.300 0.022 0.000 1.216 474 P CA 0.178 63.293 63.100 0.024 0.000 0.771 474 P CB 0.924 32.631 31.700 0.012 0.000 0.864 475 A N 0.980 123.821 122.820 0.034 0.000 2.587 475 A HA 0.409 4.729 4.320 -0.000 0.000 0.293 475 A C -0.608 177.005 177.584 0.048 0.000 1.087 475 A CA -0.770 51.285 52.037 0.031 0.000 0.692 475 A CB 1.068 20.084 19.000 0.028 0.000 1.291 475 A HN 0.580 nan 8.150 nan 0.000 0.407 476 E N 0.288 120.510 120.200 0.036 0.000 2.480 476 E HA 0.341 4.691 4.350 -0.000 0.000 0.258 476 E C 1.215 177.845 176.600 0.050 0.000 0.984 476 E CA 1.381 57.812 56.400 0.052 0.000 0.930 476 E CB 0.100 29.816 29.700 0.027 0.000 0.936 476 E HN 1.863 nan 8.360 nan 0.000 0.466 477 G N 2.824 111.689 108.800 0.108 0.000 2.176 477 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.253 477 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.253 477 G C -0.001 174.990 174.900 0.151 0.000 0.979 477 G CA 0.124 45.231 45.100 0.013 0.000 0.641 477 G HN 0.515 nan 8.290 nan 0.000 0.530 478 V N 1.799 121.829 119.914 0.193 0.000 2.398 478 V HA 0.683 4.802 4.120 -0.000 0.000 0.286 478 V C 0.334 176.591 176.094 0.272 0.000 1.026 478 V CA -0.494 61.921 62.300 0.192 0.000 0.868 478 V CB 1.605 33.495 31.823 0.113 0.000 0.982 478 V HN 0.301 nan 8.190 nan 0.000 0.443 479 I N 5.003 125.754 120.570 0.303 0.000 2.447 479 I HA 0.433 4.603 4.170 -0.000 0.000 0.287 479 I C -0.268 176.022 176.117 0.288 0.000 1.023 479 I CA -0.471 61.025 61.300 0.325 0.000 1.083 479 I CB 1.963 40.168 38.000 0.341 0.000 1.245 479 I HN 0.562 nan 8.210 nan 0.000 0.434 480 Q N 4.851 124.782 119.800 0.218 0.000 2.235 480 Q HA 0.728 5.068 4.340 -0.000 0.000 0.256 480 Q C -1.177 174.946 176.000 0.205 0.000 0.951 480 Q CA -0.869 55.039 55.803 0.176 0.000 0.890 480 Q CB 3.279 32.079 28.738 0.103 0.000 1.279 480 Q HN 0.385 nan 8.270 nan 0.000 0.444 481 V N 1.440 121.487 119.914 0.221 0.000 2.569 481 V HA 0.280 4.400 4.120 -0.000 0.000 0.301 481 V C -0.667 175.549 176.094 0.203 0.000 1.044 481 V CA -0.727 61.717 62.300 0.241 0.000 0.874 481 V CB 2.182 34.187 31.823 0.303 0.000 1.002 481 V HN 0.778 nan 8.190 nan 0.000 0.424 482 T N 4.382 119.048 114.554 0.186 0.000 2.753 482 T HA 0.553 4.903 4.350 -0.000 0.000 0.297 482 T C 0.623 175.407 174.700 0.140 0.000 0.981 482 T CA 0.060 62.239 62.100 0.131 0.000 0.956 482 T CB 1.209 70.133 68.868 0.094 0.000 0.936 482 T HN 0.916 nan 8.240 nan 0.000 0.463 483 G N 1.381 110.252 108.800 0.119 0.000 2.525 483 G HA2 0.520 4.480 3.960 -0.000 0.000 0.287 483 G HA3 0.520 4.480 3.960 -0.000 0.000 0.287 483 G C 1.269 176.183 174.900 0.023 0.000 1.350 483 G CA -0.196 44.961 45.100 0.095 0.000 1.039 483 G HN 0.728 nan 8.290 nan 0.000 0.513 484 A N -0.030 122.790 122.820 -0.001 0.000 1.908 484 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 484 A C 1.803 179.382 177.584 -0.008 0.000 1.181 484 A CA 2.293 54.316 52.037 -0.024 0.000 0.627 484 A CB -0.578 18.405 19.000 -0.027 0.000 0.818 484 A HN 0.630 nan 8.150 nan 0.000 0.445 485 D N -1.495 118.909 120.400 0.006 0.000 2.346 485 D HA 0.283 4.922 4.640 -0.000 0.000 0.248 485 D C 1.107 177.413 176.300 0.010 0.000 1.173 485 D CA 0.734 54.739 54.000 0.007 0.000 0.878 485 D CB -1.005 39.802 40.800 0.011 0.000 0.919 485 D HN 0.762 nan 8.370 nan 0.000 0.513 486 G N 0.545 109.352 108.800 0.012 0.000 2.196 486 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.268 486 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.268 486 G C 0.349 175.262 174.900 0.021 0.000 0.975 486 G CA 0.390 45.499 45.100 0.015 0.000 0.648 486 G HN 0.727 nan 8.290 nan 0.000 0.538 487 R N 0.135 120.650 120.500 0.025 0.000 2.486 487 R HA 0.610 4.950 4.340 -0.000 0.000 0.286 487 R C -0.867 175.455 176.300 0.037 0.000 0.999 487 R CA -0.086 56.029 56.100 0.024 0.000 0.993 487 R CB 0.944 31.254 30.300 0.017 0.000 1.084 487 R HN 0.041 nan 8.270 nan 0.000 0.487 488 T N 3.988 118.558 114.554 0.026 0.000 2.786 488 T HA 0.357 4.707 4.350 -0.000 0.000 0.283 488 T C -0.925 173.771 174.700 -0.006 0.000 0.992 488 T CA -0.632 61.488 62.100 0.033 0.000 0.954 488 T CB 1.114 70.001 68.868 0.032 0.000 0.934 488 T HN 0.488 nan 8.240 nan 0.000 0.440 489 K N 1.726 122.117 120.400 -0.015 0.000 2.267 489 K HA 0.664 4.984 4.320 -0.000 0.000 0.246 489 K C -0.517 175.902 176.600 -0.301 0.000 0.954 489 K CA -0.872 55.304 56.287 -0.184 0.000 0.824 489 K CB 1.833 34.184 32.500 -0.249 0.000 1.167 489 K HN 0.382 nan 8.250 nan 0.000 0.431 490 T N 1.912 116.206 114.554 -0.434 0.000 2.779 490 T HA 0.405 4.755 4.350 -0.000 0.000 0.280 490 T C -1.154 173.241 174.700 -0.508 0.000 0.987 490 T CA -0.508 61.406 62.100 -0.309 0.000 0.966 490 T CB 0.184 68.974 68.868 -0.130 0.000 0.933 490 T HN 0.281 nan 8.240 nan 0.000 0.442 491 Y N 1.285 121.623 120.300 0.063 0.000 2.429 491 Y HA 0.618 5.168 4.550 -0.000 0.000 0.342 491 Y C 0.545 176.492 175.900 0.078 0.000 1.004 491 Y CA -1.227 56.912 58.100 0.065 0.000 1.075 491 Y CB 1.714 40.217 38.460 0.072 0.000 1.214 491 Y HN 0.366 nan 8.280 nan 0.000 0.455 492 R N 2.166 122.793 120.500 0.212 0.000 2.589 492 R HA 0.432 4.772 4.340 -0.000 0.000 0.293 492 R C -0.576 175.786 176.300 0.103 0.000 0.963 492 R CA -1.046 55.130 56.100 0.127 0.000 0.905 492 R CB 1.259 31.595 30.300 0.060 0.000 1.144 492 R HN 0.783 nan 8.270 nan 0.000 0.459 493 R N 1.697 122.212 120.500 0.024 0.000 2.401 493 R HA 0.027 4.367 4.340 -0.000 0.000 0.299 493 R C 0.241 176.476 176.300 -0.109 0.000 1.064 493 R CA 0.592 56.636 56.100 -0.094 0.000 1.000 493 R CB 0.636 30.657 30.300 -0.464 0.000 0.973 493 R HN 0.822 nan 8.270 nan 0.000 0.438 494 T N 0.437 114.951 114.554 -0.066 0.000 2.985 494 T HA 0.400 4.749 4.350 -0.000 0.000 0.254 494 T C 0.192 174.836 174.700 -0.092 0.000 1.021 494 T CA 0.168 62.233 62.100 -0.058 0.000 0.957 494 T CB 0.666 69.535 68.868 0.002 0.000 1.047 494 T HN 0.556 nan 8.240 nan 0.000 0.511 495 A N 1.554 124.300 122.820 -0.123 0.000 2.612 495 A HA 0.763 5.083 4.320 -0.000 0.000 0.293 495 A C 0.118 177.608 177.584 -0.156 0.000 1.075 495 A CA -0.914 51.045 52.037 -0.130 0.000 0.680 495 A CB 1.207 20.145 19.000 -0.104 0.000 1.279 495 A HN 0.339 nan 8.150 nan 0.000 0.411 496 R N -0.362 120.064 120.500 -0.122 0.000 2.555 496 R HA 0.421 4.761 4.340 -0.000 0.000 0.312 496 R C -0.038 176.320 176.300 0.098 0.000 0.938 496 R CA 0.716 56.784 56.100 -0.054 0.000 1.112 496 R CB 0.877 31.039 30.300 -0.229 0.000 1.535 496 R HN 0.747 nan 8.270 nan 0.000 0.525 497 T N -1.106 113.471 114.554 0.038 0.000 2.802 497 T HA 0.195 4.545 4.350 -0.000 0.000 0.311 497 T C -0.544 174.187 174.700 0.051 0.000 1.405 497 T CA -0.761 61.382 62.100 0.071 0.000 1.016 497 T CB 1.142 70.056 68.868 0.076 0.000 1.352 497 T HN 0.124 nan 8.240 nan 0.000 0.498 498 F N 2.888 122.809 119.950 -0.049 0.000 2.120 498 F HA -0.043 4.484 4.527 -0.001 0.000 0.300 498 F C 1.668 177.443 175.800 -0.040 0.000 1.095 498 F CA 2.119 60.075 58.000 -0.073 0.000 1.249 498 F CB 0.004 38.948 39.000 -0.094 0.000 0.995 498 F HN 0.652 nan 8.300 nan 0.000 0.480 499 N N -0.097 118.501 118.700 -0.170 0.000 2.398 499 N HA -0.039 4.701 4.740 -0.000 0.000 0.188 499 N C -0.571 174.830 175.510 -0.180 0.000 1.122 499 N CA -0.224 52.665 53.050 -0.268 0.000 0.866 499 N CB -0.072 38.380 38.487 -0.058 0.000 0.970 499 N HN 0.193 nan 8.380 nan 0.000 0.462 500 D N 0.416 120.730 120.400 -0.144 0.000 2.400 500 D HA 0.035 4.675 4.640 -0.000 0.000 0.238 500 D C 0.901 177.119 176.300 -0.136 0.000 1.157 500 D CA 0.276 54.207 54.000 -0.116 0.000 0.889 500 D CB 0.439 41.179 40.800 -0.099 0.000 1.199 500 D HN 0.118 nan 8.370 nan 0.000 0.436 501 G N 0.655 109.396 108.800 -0.098 0.000 2.368 501 G HA2 0.103 4.063 3.960 -0.000 0.000 0.233 501 G HA3 0.103 4.063 3.960 -0.000 0.000 0.233 501 G C 0.200 175.049 174.900 -0.086 0.000 1.267 501 G CA -0.431 44.619 45.100 -0.083 0.000 0.873 501 G HN 0.443 nan 8.290 nan 0.000 0.539 502 L N 2.741 123.921 121.223 -0.071 0.000 2.653 502 L HA 0.255 4.595 4.340 -0.000 0.000 0.288 502 L C 1.387 178.248 176.870 -0.016 0.000 1.243 502 L CA 1.485 56.300 54.840 -0.042 0.000 0.906 502 L CB 0.604 42.661 42.059 -0.003 0.000 1.154 502 L HN 0.503 nan 8.230 nan 0.000 0.498 503 G N 4.532 113.308 108.800 -0.040 0.000 2.641 503 G HA2 0.058 4.018 3.960 -0.000 0.000 0.207 503 G HA3 0.058 4.018 3.960 -0.000 0.000 0.207 503 G C -0.006 175.091 174.900 0.329 0.000 1.137 503 G CA -0.174 44.964 45.100 0.062 0.000 0.824 503 G HN 0.439 nan 8.290 nan 0.000 0.547 504 F N 2.220 122.219 119.950 0.081 0.000 2.361 504 F HA 0.559 5.085 4.527 -0.001 0.000 0.364 504 F C -0.010 175.865 175.800 0.125 0.000 1.120 504 F CA -1.468 56.567 58.000 0.058 0.000 1.102 504 F CB 1.027 40.044 39.000 0.028 0.000 1.183 504 F HN -0.293 nan 8.300 nan 0.000 0.476 505 T N 5.446 120.147 114.554 0.244 0.000 2.797 505 T HA 0.730 5.080 4.350 -0.000 0.000 0.279 505 T C -0.173 174.594 174.700 0.112 0.000 0.991 505 T CA -0.364 61.843 62.100 0.179 0.000 0.979 505 T CB 1.162 70.104 68.868 0.124 0.000 0.943 505 T HN 0.286 nan 8.240 nan 0.000 0.444 506 I N 2.024 122.665 120.570 0.119 0.000 2.499 506 I HA 0.453 4.623 4.170 -0.000 0.000 0.288 506 I C 0.814 176.988 176.117 0.095 0.000 1.048 506 I CA -0.993 60.324 61.300 0.029 0.000 1.062 506 I CB 1.947 39.846 38.000 -0.168 0.000 1.238 506 I HN 0.709 nan 8.210 nan 0.000 0.426 507 G N 4.522 113.372 108.800 0.084 0.000 2.378 507 G HA2 0.101 4.060 3.960 -0.000 0.000 0.255 507 G HA3 0.101 4.060 3.960 -0.000 0.000 0.255 507 G C -0.077 174.918 174.900 0.158 0.000 1.270 507 G CA -0.225 44.949 45.100 0.123 0.000 0.876 507 G HN 0.630 nan 8.290 nan 0.000 0.521 508 E N 1.203 121.538 120.200 0.225 0.000 2.437 508 E HA 0.233 4.583 4.350 -0.000 0.000 0.263 508 E C 1.424 178.110 176.600 0.145 0.000 1.030 508 E CA 1.284 57.814 56.400 0.218 0.000 0.934 508 E CB 0.670 30.554 29.700 0.306 0.000 0.943 508 E HN 1.048 nan 8.360 nan 0.000 0.444 509 G N 3.169 112.021 108.800 0.086 0.000 2.225 509 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 509 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 509 G C 0.499 175.420 174.900 0.034 0.000 0.988 509 G CA 0.763 45.889 45.100 0.043 0.000 0.625 509 G HN 0.794 nan 8.290 nan 0.000 0.527 510 T N -1.629 112.971 114.554 0.076 0.000 2.847 510 T HA 0.649 4.999 4.350 -0.000 0.000 0.279 510 T C -0.147 174.585 174.700 0.054 0.000 0.984 510 T CA -0.248 61.922 62.100 0.118 0.000 0.988 510 T CB 1.755 70.699 68.868 0.127 0.000 1.040 510 T HN 0.357 nan 8.240 nan 0.000 0.528 511 H N -0.369 118.778 119.070 0.128 0.000 2.492 511 H HA 0.637 5.192 4.556 -0.000 0.000 0.345 511 H C -0.218 175.221 175.328 0.186 0.000 1.136 511 H CA -0.636 55.491 56.048 0.132 0.000 1.202 511 H CB 1.271 31.070 29.762 0.061 0.000 1.524 511 H HN 0.670 nan 8.280 nan 0.000 0.506 512 E N 1.322 121.729 120.200 0.345 0.000 2.317 512 E HA 0.186 4.536 4.350 -0.000 0.000 0.270 512 E C -1.017 175.716 176.600 0.223 0.000 0.885 512 E CA -0.996 55.589 56.400 0.308 0.000 0.760 512 E CB 2.935 32.918 29.700 0.471 0.000 1.227 512 E HN 0.473 nan 8.360 nan 0.000 0.434 513 Q N 2.443 122.279 119.800 0.059 0.000 2.278 513 Q HA 0.229 4.569 4.340 -0.000 0.000 0.257 513 Q C -1.481 174.675 176.000 0.260 0.000 0.928 513 Q CA -0.677 55.158 55.803 0.054 0.000 0.932 513 Q CB 0.768 29.445 28.738 -0.101 0.000 1.221 513 Q HN 0.374 nan 8.270 nan 0.000 0.434 514 W N 2.301 123.477 121.300 -0.207 0.000 2.478 514 W HA 0.367 5.027 4.660 -0.000 0.000 0.318 514 W C -0.406 175.857 176.519 -0.428 0.000 1.062 514 W CA -0.679 56.422 57.345 -0.407 0.000 1.210 514 W CB 1.893 30.971 29.460 -0.637 0.000 1.325 514 W HN 0.407 nan 8.180 nan 0.000 0.496 515 T N 4.450 118.865 114.554 -0.231 0.000 2.758 515 T HA 0.448 4.798 4.350 -0.000 0.000 0.285 515 T C -0.801 173.702 174.700 -0.328 0.000 0.981 515 T CA -0.390 61.592 62.100 -0.198 0.000 0.965 515 T CB 0.093 68.903 68.868 -0.097 0.000 0.927 515 T HN -0.029 nan 8.240 nan 0.000 0.448 516 F N 3.314 123.276 119.950 0.020 0.000 2.391 516 F HA 0.464 4.990 4.527 -0.001 0.000 0.359 516 F C 0.094 175.870 175.800 -0.040 0.000 1.122 516 F CA -1.037 56.974 58.000 0.019 0.000 1.120 516 F CB 0.885 39.934 39.000 0.080 0.000 1.142 516 F HN 0.239 nan 8.300 nan 0.000 0.483 517 L N 5.470 126.718 121.223 0.041 0.000 2.301 517 L HA 0.403 4.743 4.340 -0.000 0.000 0.278 517 L C -0.566 176.234 176.870 -0.117 0.000 1.022 517 L CA -0.506 54.253 54.840 -0.134 0.000 0.854 517 L CB 0.259 42.144 42.059 -0.289 0.000 1.226 517 L HN 0.454 nan 8.230 nan 0.000 0.429 518 N N 4.706 123.373 118.700 -0.055 0.000 2.408 518 N HA 0.203 4.943 4.740 -0.000 0.000 0.257 518 N C 0.209 175.657 175.510 -0.102 0.000 1.064 518 N CA -0.085 52.945 53.050 -0.033 0.000 0.952 518 N CB 0.813 39.353 38.487 0.088 0.000 1.093 518 N HN 0.715 nan 8.380 nan 0.000 0.490 519 L N 1.549 122.655 121.223 -0.196 0.000 2.653 519 L HA 0.167 4.507 4.340 -0.000 0.000 0.231 519 L C 0.759 177.561 176.870 -0.114 0.000 1.153 519 L CA -0.159 54.547 54.840 -0.223 0.000 0.933 519 L CB -0.473 41.289 42.059 -0.494 0.000 1.175 519 L HN 0.483 nan 8.230 nan 0.000 0.473 520 S N -1.295 114.379 115.700 -0.043 0.000 2.806 520 S HA 0.570 5.039 4.470 -0.000 0.000 0.315 520 S C -2.282 172.336 174.600 0.029 0.000 1.127 520 S CA -1.081 57.124 58.200 0.008 0.000 0.918 520 S CB 1.738 64.960 63.200 0.037 0.000 1.240 520 S HN -0.177 nan 8.310 nan 0.000 0.552 521 P HA 0.286 nan 4.420 nan 0.000 0.267 521 P C 0.285 177.587 177.300 0.003 0.000 1.289 521 P CA -0.030 63.082 63.100 0.020 0.000 0.866 521 P CB -0.245 31.465 31.700 0.016 0.000 1.309 522 I N -2.014 118.551 120.570 -0.008 0.000 2.365 522 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 522 I C -0.260 175.737 176.117 -0.201 0.000 1.004 522 I CA -1.287 59.963 61.300 -0.084 0.000 1.311 522 I CB 1.515 39.466 38.000 -0.083 0.000 1.401 522 I HN -0.251 nan 8.210 nan 0.000 0.491 523 L N 7.295 128.420 121.223 -0.164 0.000 2.360 523 L HA 0.307 4.647 4.340 -0.000 0.000 0.276 523 L C -0.451 176.270 176.870 -0.247 0.000 1.121 523 L CA 0.063 54.833 54.840 -0.116 0.000 0.845 523 L CB 0.075 42.122 42.059 -0.019 0.000 1.143 523 L HN 0.641 nan 8.230 nan 0.000 0.452 524 H N 5.308 124.435 119.070 0.094 0.000 2.505 524 H HA 0.358 4.914 4.556 -0.000 0.000 0.338 524 H C -2.375 172.996 175.328 0.072 0.000 1.057 524 H CA -2.171 53.942 56.048 0.109 0.000 1.202 524 H CB 1.580 31.404 29.762 0.104 0.000 1.466 524 H HN 0.428 nan 8.280 nan 0.000 0.499 525 P HA 0.102 nan 4.420 nan 0.000 0.280 525 P C -0.079 177.287 177.300 0.109 0.000 1.386 525 P CA -0.484 62.691 63.100 0.125 0.000 0.899 525 P CB 0.302 32.072 31.700 0.117 0.000 1.098 526 M N 3.232 122.827 119.600 -0.008 0.000 2.235 526 M HA 0.240 4.719 4.480 -0.000 0.000 0.351 526 M C 0.281 176.554 176.300 -0.046 0.000 1.178 526 M CA -0.130 55.110 55.300 -0.100 0.000 1.143 526 M CB -0.310 31.910 32.600 -0.634 0.000 1.530 526 M HN 0.418 nan 8.290 nan 0.000 0.461 527 H N 2.508 121.513 119.070 -0.108 0.000 2.600 527 H HA 0.682 5.238 4.556 -0.001 0.000 0.357 527 H C -1.686 173.679 175.328 0.061 0.000 1.106 527 H CA -0.718 55.261 56.048 -0.114 0.000 1.193 527 H CB 1.008 30.744 29.762 -0.044 0.000 1.594 527 H HN 0.664 nan 8.280 nan 0.000 0.526 528 I N 5.340 125.780 120.570 -0.217 0.000 2.389 528 I HA 0.221 4.391 4.170 -0.000 0.000 0.288 528 I C 0.542 176.584 176.117 -0.126 0.000 0.999 528 I CA -0.629 60.621 61.300 -0.082 0.000 1.129 528 I CB 1.164 38.993 38.000 -0.286 0.000 1.288 528 I HN 0.578 nan 8.210 nan 0.000 0.444 529 H N 4.650 123.692 119.070 -0.048 0.000 2.801 529 H HA 0.088 4.644 4.556 -0.000 0.000 0.377 529 H C 0.950 176.339 175.328 0.102 0.000 1.304 529 H CA -0.089 55.977 56.048 0.030 0.000 1.451 529 H CB 1.009 30.889 29.762 0.196 0.000 1.474 529 H HN 0.671 nan 8.280 nan 0.000 0.620 530 L N -0.516 120.704 121.223 -0.006 0.000 3.153 530 L HA -0.339 4.001 4.340 -0.000 0.000 0.369 530 L C 0.117 176.877 176.870 -0.184 0.000 3.110 530 L CA 2.310 57.002 54.840 -0.248 0.000 2.423 530 L CB -1.507 40.142 42.059 -0.683 0.000 2.474 530 L HN 0.723 nan 8.230 nan 0.000 0.797 531 A N -0.076 122.643 122.820 -0.167 0.000 2.269 531 A HA 0.617 4.937 4.320 -0.000 0.000 0.319 531 A C -0.492 176.896 177.584 -0.328 0.000 1.110 531 A CA 0.103 51.864 52.037 -0.461 0.000 0.847 531 A CB 0.333 18.609 19.000 -1.207 0.000 1.161 531 A HN 0.392 nan 8.150 nan 0.000 0.497 532 D N 0.007 120.129 120.400 -0.462 0.000 2.193 532 D HA 0.600 5.240 4.640 -0.000 0.000 0.244 532 D C -1.181 174.792 176.300 -0.545 0.000 1.064 532 D CA 0.546 54.419 54.000 -0.211 0.000 0.845 532 D CB 1.081 41.868 40.800 -0.022 0.000 1.148 532 D HN 0.269 nan 8.370 nan 0.000 0.464 533 F N 0.524 120.538 119.950 0.106 0.000 2.575 533 F HA 0.385 4.912 4.527 -0.000 0.000 0.330 533 F C 0.649 176.540 175.800 0.152 0.000 1.056 533 F CA -0.779 57.265 58.000 0.074 0.000 0.964 533 F CB 1.482 40.544 39.000 0.103 0.000 1.258 533 F HN -0.014 nan 8.300 nan 0.000 0.484 534 Q N 0.351 120.294 119.800 0.239 0.000 2.377 534 Q HA 0.539 4.879 4.340 -0.000 0.000 0.271 534 Q C -1.396 174.649 176.000 0.075 0.000 1.077 534 Q CA -1.192 54.711 55.803 0.166 0.000 0.820 534 Q CB 3.025 31.828 28.738 0.108 0.000 1.347 534 Q HN 0.338 nan 8.270 nan 0.000 0.444 535 V N 3.801 123.750 119.914 0.058 0.000 2.439 535 V HA -0.002 4.117 4.120 -0.000 0.000 0.271 535 V C 1.014 177.118 176.094 0.017 0.000 1.040 535 V CA 0.575 62.873 62.300 -0.003 0.000 1.002 535 V CB 0.197 32.041 31.823 0.034 0.000 1.000 535 V HN 0.769 nan 8.190 nan 0.000 0.477 536 L N 4.189 125.413 121.223 0.001 0.000 2.249 536 L HA 0.437 4.776 4.340 -0.000 0.000 0.207 536 L C 1.083 177.960 176.870 0.011 0.000 1.090 536 L CA 1.000 55.848 54.840 0.014 0.000 0.802 536 L CB 0.139 42.205 42.059 0.013 0.000 0.947 536 L HN 0.829 nan 8.230 nan 0.000 0.453 537 G N -0.462 108.346 108.800 0.014 0.000 2.338 537 G HA2 0.404 4.364 3.960 -0.000 0.000 0.295 537 G HA3 0.404 4.364 3.960 -0.000 0.000 0.295 537 G C -1.599 173.326 174.900 0.043 0.000 1.461 537 G CA -0.839 44.275 45.100 0.024 0.000 0.817 537 G HN -0.096 nan 8.290 nan 0.000 0.556 538 R N -0.236 120.295 120.500 0.051 0.000 2.837 538 R HA 0.714 5.054 4.340 -0.000 0.000 0.271 538 R C -1.737 174.604 176.300 0.068 0.000 0.993 538 R CA -0.981 55.166 56.100 0.079 0.000 0.931 538 R CB 2.568 32.916 30.300 0.081 0.000 1.206 538 R HN 0.498 nan 8.270 nan 0.000 0.474 539 D N 0.455 120.916 120.400 0.101 0.000 2.977 539 D HA 0.254 4.894 4.640 -0.000 0.000 0.220 539 D C -1.135 175.198 176.300 0.054 0.000 1.267 539 D CA -0.514 53.498 54.000 0.020 0.000 0.884 539 D CB 2.257 43.020 40.800 -0.061 0.000 1.667 539 D HN 0.603 nan 8.370 nan 0.000 0.536 540 A N 2.073 124.878 122.820 -0.024 0.000 2.388 540 A HA 0.561 4.881 4.320 -0.000 0.000 0.257 540 A C -1.156 176.379 177.584 -0.081 0.000 1.095 540 A CA 0.066 52.123 52.037 0.032 0.000 0.791 540 A CB 0.276 19.284 19.000 0.014 0.000 1.029 540 A HN 0.504 nan 8.150 nan 0.000 0.489 541 Y N -0.000 120.317 120.300 0.028 0.000 2.499 541 Y HA 0.345 4.895 4.550 -0.000 0.000 0.347 541 Y C -0.042 175.876 175.900 0.030 0.000 0.987 541 Y CA -0.780 57.337 58.100 0.029 0.000 1.044 541 Y CB 1.887 40.364 38.460 0.028 0.000 1.245 541 Y HN 0.721 nan 8.280 nan 0.000 0.461 542 D N 1.799 122.306 120.400 0.178 0.000 2.325 542 D HA 0.328 4.968 4.640 -0.000 0.000 0.251 542 D C -0.051 176.345 176.300 0.160 0.000 1.196 542 D CA 0.175 54.255 54.000 0.134 0.000 0.866 542 D CB 1.403 42.259 40.800 0.093 0.000 1.101 542 D HN 0.678 nan 8.370 nan 0.000 0.476 543 A N 2.896 125.793 122.820 0.129 0.000 2.503 543 A HA 0.088 4.408 4.320 -0.000 0.000 0.263 543 A C 1.737 179.402 177.584 0.135 0.000 1.258 543 A CA 0.286 52.393 52.037 0.117 0.000 0.936 543 A CB -0.239 18.795 19.000 0.057 0.000 1.070 543 A HN 0.520 nan 8.150 nan 0.000 0.522 544 S N -0.809 114.958 115.700 0.112 0.000 2.469 544 S HA -0.033 4.437 4.470 -0.000 0.000 0.238 544 S C 1.695 176.355 174.600 0.101 0.000 0.998 544 S CA 1.312 59.570 58.200 0.097 0.000 0.957 544 S CB -0.495 62.747 63.200 0.070 0.000 0.764 544 S HN 0.611 nan 8.310 nan 0.000 0.514 545 G N 0.038 108.909 108.800 0.118 0.000 2.712 545 G HA2 0.139 4.098 3.960 -0.000 0.000 0.212 545 G HA3 0.139 4.098 3.960 -0.000 0.000 0.212 545 G C 0.132 175.108 174.900 0.125 0.000 1.142 545 G CA -0.493 44.669 45.100 0.104 0.000 0.789 545 G HN 0.551 nan 8.290 nan 0.000 0.535 546 F N 2.200 122.167 119.950 0.029 0.000 2.506 546 F HA 0.260 4.787 4.527 -0.000 0.000 0.371 546 F C -0.044 175.767 175.800 0.017 0.000 1.078 546 F CA -1.025 56.987 58.000 0.019 0.000 1.195 546 F CB 0.767 39.759 39.000 -0.014 0.000 1.099 546 F HN -0.069 nan 8.300 nan 0.000 0.548 547 D N 7.781 127.762 120.400 -0.699 0.000 2.373 547 D HA 0.119 4.759 4.640 -0.000 0.000 0.227 547 D C 1.163 177.098 176.300 -0.609 0.000 1.091 547 D CA -0.256 53.461 54.000 -0.472 0.000 0.840 547 D CB 0.989 41.638 40.800 -0.251 0.000 1.060 547 D HN 0.670 nan 8.370 nan 0.000 0.502 548 L N 3.060 124.090 121.223 -0.321 0.000 2.012 548 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 548 L C 2.481 179.294 176.870 -0.096 0.000 1.073 548 L CA 1.446 56.195 54.840 -0.152 0.000 0.748 548 L CB -0.747 41.319 42.059 0.011 0.000 0.891 548 L HN 0.408 nan 8.230 nan 0.000 0.431 549 A N -0.166 122.607 122.820 -0.078 0.000 2.015 549 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 549 A C 2.220 179.782 177.584 -0.036 0.000 1.163 549 A CA 1.392 53.408 52.037 -0.034 0.000 0.646 549 A CB -0.408 18.576 19.000 -0.027 0.000 0.806 549 A HN 0.386 nan 8.150 nan 0.000 0.448 550 L N -1.542 119.631 121.223 -0.083 0.000 2.249 550 L HA 0.356 4.696 4.340 -0.000 0.000 0.207 550 L C 1.424 178.281 176.870 -0.022 0.000 1.090 550 L CA 1.713 56.517 54.840 -0.060 0.000 0.802 550 L CB -0.102 41.905 42.059 -0.086 0.000 0.947 550 L HN 0.658 nan 8.230 nan 0.000 0.453 551 G N -0.795 107.961 108.800 -0.073 0.000 2.182 551 G HA2 0.042 4.001 3.960 -0.000 0.000 0.248 551 G HA3 0.042 4.001 3.960 -0.000 0.000 0.248 551 G C 0.351 175.399 174.900 0.247 0.000 1.042 551 G CA 0.180 45.391 45.100 0.185 0.000 0.775 551 G HN 1.014 nan 8.290 nan 0.000 0.501 552 G N -1.652 107.056 108.800 -0.153 0.000 2.576 552 G HA2 0.827 4.787 3.960 -0.000 0.000 0.290 552 G HA3 0.827 4.787 3.960 -0.000 0.000 0.290 552 G C -0.249 174.591 174.900 -0.099 0.000 1.442 552 G CA 0.635 45.774 45.100 0.065 0.000 0.792 552 G HN 1.465 nan 8.290 nan 0.000 0.491 553 T N -1.358 113.280 114.554 0.140 0.000 2.884 553 T HA 0.405 4.755 4.350 -0.000 0.000 0.298 553 T C 1.056 175.782 174.700 0.044 0.000 0.998 553 T CA -0.372 61.800 62.100 0.120 0.000 1.124 553 T CB 2.218 71.203 68.868 0.195 0.000 0.931 553 T HN 0.538 nan 8.240 nan 0.000 0.531 554 R N 0.751 121.263 120.500 0.019 0.000 2.156 554 R HA 0.156 4.496 4.340 -0.000 0.000 0.207 554 R C 0.889 177.212 176.300 0.037 0.000 1.040 554 R CA 0.627 56.737 56.100 0.017 0.000 1.013 554 R CB 0.311 30.609 30.300 -0.003 0.000 0.931 554 R HN 0.899 nan 8.270 nan 0.000 0.465 555 T N -1.518 113.070 114.554 0.055 0.000 2.906 555 T HA 0.469 4.819 4.350 -0.000 0.000 0.295 555 T C -2.936 171.821 174.700 0.095 0.000 1.075 555 T CA -2.549 59.590 62.100 0.065 0.000 1.005 555 T CB 2.690 71.591 68.868 0.055 0.000 1.136 555 T HN -0.290 nan 8.240 nan 0.000 0.498 556 P HA 0.233 nan 4.420 nan 0.000 0.268 556 P C -0.272 177.114 177.300 0.142 0.000 1.205 556 P CA -0.483 62.691 63.100 0.123 0.000 0.771 556 P CB 0.330 32.095 31.700 0.107 0.000 0.858 557 V N 4.438 124.452 119.914 0.166 0.000 2.540 557 V HA 0.030 4.150 4.120 -0.000 0.000 0.297 557 V C 1.002 177.244 176.094 0.246 0.000 1.024 557 V CA 0.556 62.966 62.300 0.183 0.000 1.105 557 V CB -0.398 31.493 31.823 0.112 0.000 0.938 557 V HN 0.480 nan 8.190 nan 0.000 0.482 558 R N 4.446 125.095 120.500 0.249 0.000 2.494 558 R HA 0.497 4.837 4.340 -0.000 0.000 0.305 558 R C -0.658 175.708 176.300 0.111 0.000 0.959 558 R CA -0.934 55.275 56.100 0.182 0.000 0.864 558 R CB 1.404 31.760 30.300 0.094 0.000 1.159 558 R HN 0.744 nan 8.270 nan 0.000 0.446 559 L N 3.640 124.815 121.223 -0.080 0.000 2.499 559 L HA 0.037 4.376 4.340 -0.000 0.000 0.273 559 L C -0.522 176.197 176.870 -0.251 0.000 1.195 559 L CA 0.526 55.050 54.840 -0.528 0.000 0.882 559 L CB 0.471 42.241 42.059 -0.481 0.000 1.133 559 L HN 0.617 nan 8.230 nan 0.000 0.483 560 D N 6.664 126.913 120.400 -0.251 0.000 2.473 560 D HA 0.332 4.972 4.640 -0.000 0.000 0.226 560 D C -2.008 174.226 176.300 -0.111 0.000 1.089 560 D CA -2.234 51.695 54.000 -0.118 0.000 0.883 560 D CB 1.385 42.148 40.800 -0.062 0.000 1.029 560 D HN 0.263 nan 8.370 nan 0.000 0.517 561 P HA 0.064 nan 4.420 nan 0.000 0.247 561 P C 0.282 177.556 177.300 -0.044 0.000 1.225 561 P CA 0.328 63.386 63.100 -0.069 0.000 0.768 561 P CB 0.483 32.150 31.700 -0.054 0.000 1.020 562 D N -1.470 118.906 120.400 -0.039 0.000 2.423 562 D HA 0.017 4.657 4.640 -0.000 0.000 0.212 562 D C -0.121 176.169 176.300 -0.018 0.000 1.060 562 D CA 0.739 54.726 54.000 -0.023 0.000 0.872 562 D CB 0.301 41.090 40.800 -0.018 0.000 1.012 562 D HN -0.066 nan 8.370 nan 0.000 0.503 563 T N 3.245 117.785 114.554 -0.023 0.000 2.929 563 T HA 0.454 4.804 4.350 -0.000 0.000 0.331 563 T C -2.555 172.136 174.700 -0.015 0.000 1.120 563 T CA -1.318 60.775 62.100 -0.013 0.000 0.973 563 T CB 1.714 70.580 68.868 -0.004 0.000 1.036 563 T HN 0.006 nan 8.240 nan 0.000 0.502 564 P HA 0.370 nan 4.420 nan 0.000 0.275 564 P C -0.807 176.495 177.300 0.004 0.000 1.228 564 P CA -0.577 62.518 63.100 -0.008 0.000 0.786 564 P CB 0.769 32.466 31.700 -0.005 0.000 0.927 565 V N 4.217 124.137 119.914 0.010 0.000 2.305 565 V HA 0.274 4.393 4.120 -0.000 0.000 0.275 565 V C -1.983 174.128 176.094 0.028 0.000 1.020 565 V CA -1.586 60.730 62.300 0.026 0.000 0.811 565 V CB 0.879 32.726 31.823 0.041 0.000 1.031 565 V HN 0.602 nan 8.190 nan 0.000 0.439 566 P HA 0.261 nan 4.420 nan 0.000 0.275 566 P C -0.227 177.093 177.300 0.034 0.000 1.227 566 P CA -0.295 62.820 63.100 0.024 0.000 0.781 566 P CB 1.122 32.834 31.700 0.019 0.000 0.906 567 L N 1.510 122.754 121.223 0.035 0.000 2.490 567 L HA 0.183 4.523 4.340 -0.000 0.000 0.274 567 L C 1.242 178.139 176.870 0.044 0.000 1.201 567 L CA -0.563 54.304 54.840 0.044 0.000 0.869 567 L CB -0.061 42.022 42.059 0.041 0.000 1.123 567 L HN 0.481 nan 8.230 nan 0.000 0.484 568 A N 5.129 127.984 122.820 0.059 0.000 2.540 568 A HA 0.168 4.487 4.320 -0.000 0.000 0.239 568 A C -1.400 176.211 177.584 0.046 0.000 1.061 568 A CA -0.862 51.211 52.037 0.059 0.000 0.758 568 A CB -0.196 18.857 19.000 0.088 0.000 0.991 568 A HN 0.653 nan 8.150 nan 0.000 0.502 569 P HA -0.119 nan 4.420 nan 0.000 0.225 569 P C 0.552 177.863 177.300 0.018 0.000 1.148 569 P CA 1.407 64.515 63.100 0.014 0.000 0.779 569 P CB 0.015 31.715 31.700 -0.002 0.000 0.780 570 N N -0.499 118.228 118.700 0.046 0.000 2.235 570 N HA -0.045 4.695 4.740 -0.000 0.000 0.209 570 N C 0.664 176.206 175.510 0.053 0.000 1.122 570 N CA 0.084 53.167 53.050 0.055 0.000 0.845 570 N CB -0.688 37.868 38.487 0.115 0.000 1.004 570 N HN 0.307 nan 8.380 nan 0.000 0.499 571 E N 0.454 120.689 120.200 0.059 0.000 2.585 571 E HA 0.141 4.491 4.350 -0.000 0.000 0.206 571 E C 0.094 176.733 176.600 0.066 0.000 1.007 571 E CA -0.296 56.152 56.400 0.080 0.000 1.028 571 E CB -0.228 29.544 29.700 0.121 0.000 1.087 571 E HN 0.210 nan 8.360 nan 0.000 0.455 572 L N 0.669 121.901 121.223 0.016 0.000 2.653 572 L HA 0.357 4.697 4.340 -0.000 0.000 0.231 572 L C 1.062 177.910 176.870 -0.037 0.000 1.153 572 L CA -0.022 54.821 54.840 0.005 0.000 0.933 572 L CB 0.402 42.444 42.059 -0.028 0.000 1.175 572 L HN 0.257 nan 8.230 nan 0.000 0.473 573 G N -1.828 106.944 108.800 -0.046 0.000 2.940 573 G HA2 0.258 4.217 3.960 -0.000 0.000 0.164 573 G HA3 0.258 4.217 3.960 -0.000 0.000 0.164 573 G C -0.548 174.390 174.900 0.063 0.000 1.326 573 G CA -0.494 44.543 45.100 -0.106 0.000 1.020 573 G HN 0.092 nan 8.290 nan 0.000 0.586 574 H N 1.344 120.584 119.070 0.284 0.000 2.800 574 H HA 0.381 4.937 4.556 -0.000 0.000 0.291 574 H C -0.130 175.336 175.328 0.229 0.000 1.076 574 H CA 0.201 56.408 56.048 0.265 0.000 1.452 574 H CB 0.975 30.891 29.762 0.257 0.000 1.461 574 H HN 0.114 nan 8.280 nan 0.000 0.488 575 K N 2.102 122.751 120.400 0.414 0.000 2.385 575 K HA 0.158 4.478 4.320 -0.000 0.000 0.248 575 K C 0.139 176.975 176.600 0.393 0.000 0.955 575 K CA -0.662 55.842 56.287 0.361 0.000 0.816 575 K CB 2.227 35.009 32.500 0.470 0.000 1.250 575 K HN 0.638 nan 8.250 nan 0.000 0.434 576 D N -1.903 118.541 120.400 0.073 0.000 2.497 576 D HA 0.105 4.745 4.640 -0.000 0.000 0.256 576 D C -0.530 175.529 176.300 -0.402 0.000 1.273 576 D CA -0.063 53.936 54.000 -0.003 0.000 0.812 576 D CB 0.535 41.489 40.800 0.257 0.000 1.190 576 D HN 0.050 nan 8.370 nan 0.000 0.524 577 V N 1.471 120.999 119.914 -0.643 0.000 2.488 577 V HA 0.514 4.634 4.120 -0.000 0.000 0.293 577 V C -1.508 174.218 176.094 -0.615 0.000 1.027 577 V CA -0.773 61.186 62.300 -0.568 0.000 0.862 577 V CB 1.076 32.778 31.823 -0.202 0.000 1.008 577 V HN 0.094 nan 8.190 nan 0.000 0.428 578 F N 1.698 121.676 119.950 0.047 0.000 2.507 578 F HA 0.592 5.119 4.527 -0.000 0.000 0.325 578 F C 0.408 176.216 175.800 0.014 0.000 1.116 578 F CA -1.019 57.000 58.000 0.031 0.000 0.930 578 F CB 1.277 40.296 39.000 0.033 0.000 1.146 578 F HN 0.364 nan 8.300 nan 0.000 0.447 579 Q N 1.939 121.861 119.800 0.202 0.000 2.311 579 Q HA 0.374 4.714 4.340 -0.000 0.000 0.272 579 Q C -0.759 175.331 176.000 0.150 0.000 1.012 579 Q CA -0.206 55.687 55.803 0.150 0.000 0.891 579 Q CB 1.566 30.385 28.738 0.135 0.000 1.201 579 Q HN 0.551 nan 8.270 nan 0.000 0.391 580 V N 5.419 125.408 119.914 0.126 0.000 2.327 580 V HA 0.242 4.362 4.120 -0.000 0.000 0.272 580 V C -2.204 173.967 176.094 0.127 0.000 1.019 580 V CA -1.804 60.573 62.300 0.128 0.000 0.814 580 V CB 0.852 32.736 31.823 0.101 0.000 1.040 580 V HN 0.649 nan 8.190 nan 0.000 0.440 581 P HA 0.224 nan 4.420 nan 0.000 0.275 581 P C 0.945 178.296 177.300 0.085 0.000 1.270 581 P CA 0.242 63.389 63.100 0.078 0.000 0.791 581 P CB 0.607 32.349 31.700 0.070 0.000 1.089 582 G N 0.754 109.591 108.800 0.062 0.000 2.313 582 G HA2 0.023 3.982 3.960 -0.000 0.000 0.283 582 G HA3 0.023 3.982 3.960 -0.000 0.000 0.283 582 G C -1.758 173.183 174.900 0.068 0.000 1.476 582 G CA -0.333 44.801 45.100 0.057 0.000 1.054 582 G HN 0.453 nan 8.290 nan 0.000 0.550 583 P HA -0.050 nan 4.420 nan 0.000 0.191 583 P C -0.441 176.943 177.300 0.140 0.000 0.942 583 P CA 1.195 64.342 63.100 0.079 0.000 1.312 583 P CB -0.261 31.489 31.700 0.083 0.000 1.452 584 Q N 1.291 121.172 119.800 0.136 0.000 2.479 584 Q HA 0.557 4.896 4.340 -0.000 0.000 0.276 584 Q C -1.189 174.908 176.000 0.161 0.000 0.989 584 Q CA -0.815 55.120 55.803 0.220 0.000 0.864 584 Q CB 2.083 30.915 28.738 0.157 0.000 1.444 584 Q HN 0.372 nan 8.270 nan 0.000 0.388 585 G N 1.536 110.508 108.800 0.288 0.000 2.416 585 G HA2 0.615 4.575 3.960 -0.000 0.000 0.329 585 G HA3 0.615 4.575 3.960 -0.000 0.000 0.329 585 G C -1.744 173.274 174.900 0.197 0.000 1.173 585 G CA -0.388 44.820 45.100 0.180 0.000 0.929 585 G HN 0.398 nan 8.290 nan 0.000 0.475 586 L N 1.213 122.542 121.223 0.177 0.000 2.362 586 L HA 0.706 5.046 4.340 -0.000 0.000 0.275 586 L C -0.155 176.782 176.870 0.112 0.000 0.998 586 L CA -0.847 54.086 54.840 0.156 0.000 0.820 586 L CB 1.750 43.924 42.059 0.192 0.000 1.270 586 L HN 0.502 nan 8.230 nan 0.000 0.415 587 R N 4.227 124.759 120.500 0.053 0.000 2.310 587 R HA 0.715 5.054 4.340 -0.000 0.000 0.324 587 R C -0.997 175.278 176.300 -0.042 0.000 0.955 587 R CA -0.596 55.514 56.100 0.016 0.000 0.830 587 R CB 1.638 31.958 30.300 0.033 0.000 1.154 587 R HN 0.634 nan 8.270 nan 0.000 0.458 588 V N 0.414 120.271 119.914 -0.094 0.000 3.046 588 V HA 0.720 4.840 4.120 -0.000 0.000 0.316 588 V C -0.426 175.663 176.094 -0.008 0.000 1.104 588 V CA -1.047 61.167 62.300 -0.143 0.000 1.006 588 V CB 2.260 33.794 31.823 -0.480 0.000 1.058 588 V HN 0.740 nan 8.190 nan 0.000 0.440 589 M N 1.674 121.326 119.600 0.088 0.000 2.501 589 M HA 0.840 5.319 4.480 -0.000 0.000 0.293 589 M C -0.481 175.889 176.300 0.116 0.000 1.192 589 M CA -0.151 55.211 55.300 0.103 0.000 0.886 589 M CB 2.310 34.894 32.600 -0.026 0.000 1.710 589 M HN 1.271 nan 8.290 nan 0.000 0.457 590 G N 2.469 111.230 108.800 -0.065 0.000 2.720 590 G HA2 0.402 4.362 3.960 -0.000 0.000 0.295 590 G HA3 0.402 4.362 3.960 -0.000 0.000 0.295 590 G C -2.318 172.233 174.900 -0.581 0.000 1.437 590 G CA -0.694 43.995 45.100 -0.684 0.000 0.886 590 G HN 0.670 nan 8.290 nan 0.000 0.509 591 K N 0.661 120.624 120.400 -0.727 0.000 2.211 591 K HA 0.520 4.839 4.320 -0.000 0.000 0.275 591 K C -1.075 175.143 176.600 -0.637 0.000 1.024 591 K CA -0.601 55.246 56.287 -0.733 0.000 0.887 591 K CB 0.663 32.735 32.500 -0.712 0.000 1.084 591 K HN 0.265 nan 8.250 nan 0.000 0.463 592 F N 3.264 123.019 119.950 -0.324 0.000 2.335 592 F HA 0.202 4.728 4.527 -0.001 0.000 0.365 592 F C -0.056 175.663 175.800 -0.135 0.000 1.122 592 F CA -0.384 57.509 58.000 -0.179 0.000 1.151 592 F CB 0.935 39.916 39.000 -0.031 0.000 1.282 592 F HN 0.529 nan 8.300 nan 0.000 0.513 593 D N 1.426 121.799 120.400 -0.044 0.000 2.966 593 D HA 0.480 5.120 4.640 -0.000 0.000 0.222 593 D C 0.323 176.556 176.300 -0.112 0.000 1.292 593 D CA 0.216 54.159 54.000 -0.095 0.000 0.907 593 D CB 1.457 42.155 40.800 -0.170 0.000 1.621 593 D HN 0.613 nan 8.370 nan 0.000 0.557 594 G N 1.668 110.383 108.800 -0.142 0.000 2.175 594 G HA2 0.286 4.246 3.960 -0.000 0.000 0.244 594 G HA3 0.286 4.246 3.960 -0.000 0.000 0.244 594 G C 0.331 175.108 174.900 -0.206 0.000 0.982 594 G CA 0.113 45.128 45.100 -0.142 0.000 0.641 594 G HN 1.315 nan 8.290 nan 0.000 0.527 595 A N -1.586 121.037 122.820 -0.328 0.000 2.540 595 A HA 0.869 5.189 4.320 -0.000 0.000 0.291 595 A C -1.257 176.126 177.584 -0.334 0.000 1.083 595 A CA -0.581 51.283 52.037 -0.289 0.000 0.650 595 A CB 0.866 19.886 19.000 0.034 0.000 1.292 595 A HN 1.154 nan 8.150 nan 0.000 0.435 596 Y N -0.838 119.651 120.300 0.315 0.000 2.638 596 Y HA 0.825 5.375 4.550 -0.001 0.000 0.339 596 Y C 0.793 176.843 175.900 0.250 0.000 1.084 596 Y CA -0.072 58.214 58.100 0.310 0.000 1.068 596 Y CB 1.928 40.478 38.460 0.150 0.000 1.294 596 Y HN 2.113 nan 8.280 nan 0.000 0.480 597 G N 0.538 109.509 108.800 0.285 0.000 2.343 597 G HA2 0.028 3.987 3.960 -0.000 0.000 0.562 597 G HA3 0.028 3.987 3.960 -0.000 0.000 0.562 597 G C -1.745 172.913 174.900 -0.404 0.000 1.269 597 G CA -1.284 43.703 45.100 -0.189 0.000 1.011 597 G HN 0.686 nan 8.290 nan 0.000 0.498 598 R N -0.347 119.792 120.500 -0.602 0.000 2.308 598 R HA 0.698 5.037 4.340 -0.000 0.000 0.305 598 R C -0.640 175.200 176.300 -0.766 0.000 1.053 598 R CA -0.270 55.500 56.100 -0.550 0.000 0.957 598 R CB 0.221 30.163 30.300 -0.596 0.000 1.022 598 R HN 0.339 nan 8.270 nan 0.000 0.461 599 F N 2.125 121.874 119.950 -0.336 0.000 2.740 599 F HA 0.547 5.073 4.527 -0.001 0.000 0.357 599 F C 0.081 175.699 175.800 -0.303 0.000 1.141 599 F CA -1.097 56.658 58.000 -0.409 0.000 1.044 599 F CB 1.249 39.725 39.000 -0.874 0.000 1.430 599 F HN 0.135 nan 8.300 nan 0.000 0.518 600 M N 1.097 120.561 119.600 -0.226 0.000 2.598 600 M HA 0.385 4.865 4.480 -0.000 0.000 0.317 600 M C -1.198 175.340 176.300 0.397 0.000 1.179 600 M CA -0.743 54.497 55.300 -0.100 0.000 0.936 600 M CB 1.840 34.103 32.600 -0.563 0.000 1.713 600 M HN 0.684 nan 8.290 nan 0.000 0.460 601 Y N -0.358 120.248 120.300 0.511 0.000 2.536 601 Y HA 0.848 5.398 4.550 -0.001 0.000 0.347 601 Y C -0.876 175.267 175.900 0.404 0.000 1.000 601 Y CA -0.897 57.468 58.100 0.443 0.000 1.051 601 Y CB 1.415 40.236 38.460 0.602 0.000 1.259 601 Y HN 0.879 nan 8.280 nan 0.000 0.468 602 H N -0.606 118.673 119.070 0.349 0.000 2.950 602 H HA 0.392 4.948 4.556 -0.000 0.000 0.307 602 H C -1.582 173.888 175.328 0.238 0.000 1.403 602 H CA -1.521 54.634 56.048 0.179 0.000 1.145 602 H CB 0.436 30.229 29.762 0.052 0.000 1.844 602 H HN 1.102 nan 8.280 nan 0.000 0.515 603 C N 1.533 121.001 119.300 0.280 0.000 2.657 603 C HA 0.066 4.525 4.460 -0.000 0.000 0.420 603 C C 1.205 176.422 174.990 0.378 0.000 1.323 603 C CA 0.125 59.309 59.018 0.277 0.000 1.894 603 C CB -0.751 27.172 27.740 0.306 0.000 2.681 603 C HN 0.968 nan 8.230 nan 0.000 0.613 604 H N 4.356 123.573 119.070 0.245 0.000 2.519 604 H HA 0.286 4.842 4.556 -0.001 0.000 0.289 604 H C -0.003 175.400 175.328 0.126 0.000 1.040 604 H CA 0.216 56.410 56.048 0.243 0.000 1.165 604 H CB -0.033 29.851 29.762 0.204 0.000 1.462 604 H HN 0.563 nan 8.280 nan 0.000 0.555 605 L N 2.160 123.497 121.223 0.190 0.000 2.283 605 L HA 0.079 4.419 4.340 -0.000 0.000 0.287 605 L C 1.497 178.325 176.870 -0.070 0.000 1.073 605 L CA -0.247 54.600 54.840 0.012 0.000 0.822 605 L CB 1.230 43.212 42.059 -0.129 0.000 1.186 605 L HN 0.158 nan 8.230 nan 0.000 0.436 606 L N 1.890 123.047 121.223 -0.109 0.000 2.127 606 L HA -0.208 4.131 4.340 -0.000 0.000 0.211 606 L C 1.926 178.663 176.870 -0.220 0.000 1.089 606 L CA 1.087 55.811 54.840 -0.193 0.000 0.757 606 L CB -0.269 41.659 42.059 -0.219 0.000 0.899 606 L HN 0.641 nan 8.230 nan 0.000 0.434 607 E N -0.735 119.338 120.200 -0.211 0.000 2.204 607 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 607 E C 1.948 178.527 176.600 -0.034 0.000 0.990 607 E CA 1.126 57.423 56.400 -0.171 0.000 0.821 607 E CB -0.232 29.395 29.700 -0.122 0.000 0.750 607 E HN 0.603 nan 8.360 nan 0.000 0.477 608 H N -0.810 118.221 119.070 -0.064 0.000 2.399 608 H HA 0.083 4.639 4.556 -0.000 0.000 0.300 608 H C 1.972 177.252 175.328 -0.079 0.000 1.048 608 H CA 0.617 56.649 56.048 -0.027 0.000 1.370 608 H CB 0.274 30.089 29.762 0.088 0.000 1.428 608 H HN 0.139 nan 8.280 nan 0.000 0.534 609 E N 1.090 121.300 120.200 0.017 0.000 2.065 609 E HA -0.232 4.118 4.350 -0.000 0.000 0.201 609 E C 1.137 177.603 176.600 -0.224 0.000 1.016 609 E CA 1.707 58.026 56.400 -0.135 0.000 0.818 609 E CB 0.079 29.625 29.700 -0.258 0.000 0.749 609 E HN 0.401 nan 8.360 nan 0.000 0.453 610 D N -0.539 119.717 120.400 -0.240 0.000 2.350 610 D HA -0.083 4.557 4.640 -0.000 0.000 0.216 610 D C 0.868 177.046 176.300 -0.204 0.000 0.968 610 D CA 0.796 54.641 54.000 -0.258 0.000 0.894 610 D CB 0.088 40.688 40.800 -0.333 0.000 0.909 610 D HN 0.338 nan 8.370 nan 0.000 0.520 611 M N -0.909 118.584 119.600 -0.179 0.000 2.866 611 M HA 0.302 4.782 4.480 -0.000 0.000 0.319 611 M C 0.893 177.109 176.300 -0.141 0.000 1.244 611 M CA -0.142 55.028 55.300 -0.217 0.000 0.974 611 M CB 1.101 33.464 32.600 -0.394 0.000 1.291 611 M HN 0.017 nan 8.290 nan 0.000 0.513 612 G N 1.431 110.178 108.800 -0.088 0.000 2.234 612 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.235 612 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.235 612 G C 0.345 175.261 174.900 0.026 0.000 0.997 612 G CA -0.192 44.909 45.100 0.002 0.000 0.623 612 G HN 0.517 nan 8.290 nan 0.000 0.514 613 M N 1.147 120.747 119.600 -0.001 0.000 3.596 613 M HA 0.690 5.170 4.480 -0.000 0.000 0.212 613 M C 0.107 176.436 176.300 0.049 0.000 1.519 613 M CA 0.444 55.765 55.300 0.035 0.000 1.670 613 M CB -0.395 32.233 32.600 0.047 0.000 1.113 613 M HN 0.440 nan 8.290 nan 0.000 0.565 614 M N 1.390 121.008 119.600 0.029 0.000 2.449 614 M HA 0.475 4.954 4.480 -0.000 0.000 0.291 614 M C -1.968 174.377 176.300 0.076 0.000 1.148 614 M CA -0.644 54.662 55.300 0.010 0.000 0.925 614 M CB 1.632 34.126 32.600 -0.178 0.000 1.767 614 M HN 0.211 nan 8.290 nan 0.000 0.503 615 R N 3.389 123.813 120.500 -0.126 0.000 2.651 615 R HA 0.656 4.996 4.340 -0.000 0.000 0.278 615 R C -2.975 173.347 176.300 0.036 0.000 1.010 615 R CA -1.545 54.450 56.100 -0.175 0.000 0.896 615 R CB 2.353 32.277 30.300 -0.626 0.000 1.211 615 R HN 0.440 nan 8.270 nan 0.000 0.456 616 P HA 0.315 nan 4.420 nan 0.000 0.277 616 P C -0.943 176.597 177.300 0.400 0.000 1.240 616 P CA -0.172 63.097 63.100 0.281 0.000 0.798 616 P CB 0.544 32.347 31.700 0.172 0.000 0.979 617 F N -0.188 119.987 119.950 0.374 0.000 2.629 617 F HA 0.757 5.283 4.527 -0.000 0.000 0.316 617 F C -1.597 174.417 175.800 0.356 0.000 1.081 617 F CA -1.489 56.747 58.000 0.392 0.000 0.954 617 F CB 1.008 40.368 39.000 0.600 0.000 1.337 617 F HN 0.018 nan 8.300 nan 0.000 0.474 618 V N 2.266 122.454 119.914 0.456 0.000 2.588 618 V HA 0.653 4.772 4.120 -0.000 0.000 0.304 618 V C -0.934 175.392 176.094 0.387 0.000 1.042 618 V CA -0.821 61.650 62.300 0.285 0.000 0.877 618 V CB 1.829 33.737 31.823 0.143 0.000 0.996 618 V HN 0.781 nan 8.190 nan 0.000 0.425 619 V N 6.377 126.545 119.914 0.423 0.000 2.487 619 V HA 0.665 4.784 4.120 -0.000 0.000 0.298 619 V C -0.155 176.184 176.094 0.408 0.000 1.028 619 V CA -0.390 62.166 62.300 0.427 0.000 0.860 619 V CB 1.525 33.660 31.823 0.521 0.000 0.991 619 V HN 0.965 nan 8.190 nan 0.000 0.427 620 M N 4.421 124.217 119.600 0.328 0.000 2.593 620 M HA 0.774 5.254 4.480 -0.000 0.000 0.290 620 M C -3.099 173.331 176.300 0.217 0.000 1.244 620 M CA -2.230 53.208 55.300 0.229 0.000 0.857 620 M CB 2.436 35.092 32.600 0.092 0.000 1.738 620 M HN 0.210 nan 8.290 nan 0.000 0.461 621 P HA 0.141 nan 4.420 nan 0.000 0.264 621 P C -2.212 175.144 177.300 0.092 0.000 1.183 621 P CA -0.574 62.570 63.100 0.073 0.000 0.763 621 P CB -0.229 31.405 31.700 -0.111 0.000 0.807 622 P HA -0.212 nan 4.420 nan 0.000 0.217 622 P C 0.993 178.322 177.300 0.048 0.000 1.148 622 P CA 1.587 64.733 63.100 0.076 0.000 0.834 622 P CB -0.048 31.697 31.700 0.074 0.000 0.783 623 E N -0.796 119.439 120.200 0.059 0.000 2.268 623 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 623 E C 1.986 178.667 176.600 0.136 0.000 0.995 623 E CA 1.298 57.739 56.400 0.068 0.000 0.836 623 E CB -0.867 28.883 29.700 0.084 0.000 0.763 623 E HN 0.230 nan 8.360 nan 0.000 0.491 624 A N 0.051 122.950 122.820 0.132 0.000 2.030 624 A HA 0.052 4.372 4.320 -0.000 0.000 0.215 624 A C 1.940 179.640 177.584 0.193 0.000 1.164 624 A CA 0.150 52.325 52.037 0.229 0.000 0.697 624 A CB -0.299 18.752 19.000 0.085 0.000 0.827 624 A HN 0.195 nan 8.150 nan 0.000 0.457 625 L N 0.304 121.577 121.223 0.083 0.000 2.081 625 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 625 L C 2.197 179.042 176.870 -0.041 0.000 1.080 625 L CA 1.696 56.560 54.840 0.039 0.000 0.754 625 L CB -0.303 41.774 42.059 0.029 0.000 0.893 625 L HN 0.240 nan 8.230 nan 0.000 0.433 626 K N -1.208 119.094 120.400 -0.163 0.000 2.366 626 K HA -0.187 4.133 4.320 -0.000 0.000 0.202 626 K C 1.356 177.607 176.600 -0.582 0.000 1.045 626 K CA 1.377 57.403 56.287 -0.436 0.000 0.934 626 K CB -0.272 31.822 32.500 -0.676 0.000 0.746 626 K HN 0.336 nan 8.250 nan 0.000 0.470 627 F N -0.044 119.904 119.950 -0.003 0.000 2.682 627 F HA 0.178 4.705 4.527 -0.000 0.000 0.308 627 F C -0.319 175.477 175.800 -0.007 0.000 1.093 627 F CA -0.442 57.554 58.000 -0.007 0.000 1.244 627 F CB 0.621 39.612 39.000 -0.014 0.000 1.052 627 F HN -0.130 nan 8.300 nan 0.000 0.573 628 D N 0.000 120.461 120.400 0.102 0.000 6.856 628 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 628 D CA 0.000 54.038 54.000 0.063 0.000 0.868 628 D CB 0.000 40.838 40.800 0.064 0.000 0.688 628 D HN 0.000 nan 8.370 nan 0.000 0.683