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 1qk1_1_F DATA FIRST_RESID 1 DATA SEQUENCE AASERRRLYP PSAEYPDLRK HNNCMASHLT PAVYARLCDK TTPTGWTLDQ DATA SEQUENCE CIQTGVDNPG HPFIKTVGMV AGDEETYEVF ADLFDPVIQE RHNGYDPRTM DATA SEQUENCE KHTTDLDASK IRSGYFDERY VLSSRVRTGR SIRGLSLPPA CTRAERREVE DATA SEQUENCE RVVVDALSGL KGDLAGRYYR LSEMTEAEQQ QLIDDHFLFD KPVSPLLTAA DATA SEQUENCE GMARDWPDAR GIWHNNEKSF LIWVNEEDHT RVISMEKGGN MKRVFERFCR DATA SEQUENCE GLKEVERLIQ ERGWEFMWNE RLGYILTCPS NLGTGLRAGV HIKLPLLSKD DATA SEQUENCE SRFPKILENL RLQKRGTGGV DTAATGGVFD ISNLDRLGKS EVELVQLVID DATA SEQUENCE GVNYLIDCER RLERGQDIRI PTPVIHTKH 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.589 177.584 0.008 0.000 1.274 1 A CA 0.000 52.042 52.037 0.008 0.000 0.836 1 A CB 0.000 19.006 19.000 0.009 0.000 0.831 2 A N 0.436 123.260 122.820 0.007 0.000 2.978 2 A HA 0.647 4.967 4.320 -0.000 0.000 0.341 2 A C 0.213 177.799 177.584 0.004 0.000 1.105 2 A CA -0.081 51.959 52.037 0.006 0.000 0.819 2 A CB -0.069 18.936 19.000 0.007 0.000 1.080 2 A HN 0.659 nan 8.150 nan 0.000 0.476 3 S N 1.757 117.458 115.700 0.002 0.000 3.869 3 S HA 0.145 4.615 4.470 -0.000 0.000 0.241 3 S C 0.652 175.250 174.600 -0.003 0.000 1.363 3 S CA -0.278 57.922 58.200 -0.001 0.000 0.894 3 S CB -0.263 62.936 63.200 -0.001 0.000 1.519 3 S HN 0.780 nan 8.310 nan 0.000 0.470 4 E N 1.421 121.619 120.200 -0.003 0.000 2.594 4 E HA 0.180 4.530 4.350 -0.000 0.000 0.300 4 E C 1.236 177.832 176.600 -0.008 0.000 1.568 4 E CA -0.359 56.038 56.400 -0.005 0.000 1.811 4 E CB 0.164 29.863 29.700 -0.002 0.000 1.458 4 E HN 0.140 nan 8.360 nan 0.000 0.470 5 R N 0.898 121.392 120.500 -0.010 0.000 2.189 5 R HA 0.162 4.501 4.340 -0.000 0.000 0.203 5 R C 0.440 176.730 176.300 -0.018 0.000 1.012 5 R CA 0.181 56.275 56.100 -0.011 0.000 1.015 5 R CB 0.294 30.589 30.300 -0.010 0.000 0.938 5 R HN 0.278 nan 8.270 nan 0.000 0.472 6 R N 1.372 121.859 120.500 -0.021 0.000 2.531 6 R HA 0.206 4.546 4.340 -0.000 0.000 0.273 6 R C 0.147 176.424 176.300 -0.039 0.000 1.070 6 R CA -0.404 55.676 56.100 -0.032 0.000 1.112 6 R CB 0.827 31.108 30.300 -0.033 0.000 1.049 6 R HN -0.125 nan 8.270 nan 0.000 0.508 7 R N 1.807 122.271 120.500 -0.060 0.000 2.532 7 R HA 0.373 4.713 4.340 -0.000 0.000 0.272 7 R C 0.205 176.450 176.300 -0.092 0.000 1.032 7 R CA -0.653 55.407 56.100 -0.067 0.000 1.089 7 R CB 0.602 30.855 30.300 -0.078 0.000 1.098 7 R HN 0.412 nan 8.270 nan 0.000 0.526 8 L N 1.100 122.289 121.223 -0.057 0.000 2.387 8 L HA 0.357 4.697 4.340 -0.000 0.000 0.266 8 L C -0.232 176.616 176.870 -0.038 0.000 1.059 8 L CA -0.913 53.910 54.840 -0.029 0.000 0.801 8 L CB 0.366 42.442 42.059 0.028 0.000 1.223 8 L HN 0.342 nan 8.230 nan 0.000 0.456 9 Y N 2.056 122.370 120.300 0.023 0.000 2.402 9 Y HA 0.137 4.687 4.550 -0.000 0.000 0.333 9 Y C -1.546 174.377 175.900 0.038 0.000 1.076 9 Y CA -1.590 56.527 58.100 0.028 0.000 1.299 9 Y CB 0.013 38.493 38.460 0.033 0.000 1.197 9 Y HN 0.316 nan 8.280 nan 0.000 0.517 10 P HA 0.072 nan 4.420 nan 0.000 0.272 10 P C -2.313 175.085 177.300 0.162 0.000 1.230 10 P CA -1.301 61.880 63.100 0.134 0.000 0.788 10 P CB 0.814 32.569 31.700 0.092 0.000 0.949 11 P HA -0.185 nan 4.420 nan 0.000 0.217 11 P C 1.692 179.151 177.300 0.266 0.000 1.158 11 P CA 1.855 65.099 63.100 0.239 0.000 0.887 11 P CB -0.291 31.532 31.700 0.204 0.000 0.792 12 S N -0.815 114.971 115.700 0.143 0.000 2.440 12 S HA -0.148 4.322 4.470 -0.000 0.000 0.238 12 S C 1.954 176.592 174.600 0.063 0.000 1.010 12 S CA 1.203 59.436 58.200 0.055 0.000 0.972 12 S CB -0.930 62.257 63.200 -0.022 0.000 0.774 12 S HN 0.195 nan 8.310 nan 0.000 0.501 13 A N 1.141 124.016 122.820 0.091 0.000 2.067 13 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 13 A C 1.877 179.452 177.584 -0.015 0.000 1.158 13 A CA 0.894 52.964 52.037 0.055 0.000 0.661 13 A CB -0.104 18.974 19.000 0.131 0.000 0.801 13 A HN 0.331 nan 8.150 nan 0.000 0.452 14 E N -1.729 118.493 120.200 0.037 0.000 2.481 14 E HA 0.062 4.412 4.350 -0.000 0.000 0.198 14 E C -0.574 175.947 176.600 -0.131 0.000 1.027 14 E CA -0.385 56.013 56.400 -0.003 0.000 0.900 14 E CB -0.088 29.694 29.700 0.136 0.000 0.993 14 E HN 0.646 nan 8.360 nan 0.000 0.482 15 Y N 4.172 124.254 120.300 -0.364 0.000 2.712 15 Y HA -0.008 4.542 4.550 -0.000 0.000 0.333 15 Y C -1.782 173.867 175.900 -0.419 0.000 1.225 15 Y CA -1.624 56.090 58.100 -0.643 0.000 1.499 15 Y CB 0.367 38.564 38.460 -0.437 0.000 1.288 15 Y HN -0.035 nan 8.280 nan 0.000 0.575 16 P HA 0.045 nan 4.420 nan 0.000 0.277 16 P C -1.161 175.874 177.300 -0.441 0.000 1.240 16 P CA -0.380 62.395 63.100 -0.541 0.000 0.798 16 P CB 0.934 32.296 31.700 -0.564 0.000 0.979 17 D N 2.164 122.409 120.400 -0.259 0.000 2.393 17 D HA 0.128 4.767 4.640 -0.000 0.000 0.232 17 D C 0.324 176.479 176.300 -0.242 0.000 1.192 17 D CA -0.119 53.786 54.000 -0.159 0.000 0.882 17 D CB -0.229 40.529 40.800 -0.071 0.000 1.038 17 D HN 0.238 nan 8.370 nan 0.000 0.499 18 L N 3.836 124.891 121.223 -0.280 0.000 2.872 18 L HA 0.295 4.635 4.340 -0.000 0.000 0.245 18 L C 2.053 178.907 176.870 -0.027 0.000 1.211 18 L CA -0.333 54.273 54.840 -0.390 0.000 1.013 18 L CB 0.176 41.960 42.059 -0.459 0.000 1.326 18 L HN 0.160 nan 8.230 nan 0.000 0.525 19 R N 0.760 121.277 120.500 0.029 0.000 2.152 19 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 19 R C 1.226 177.569 176.300 0.073 0.000 1.117 19 R CA 1.132 57.260 56.100 0.046 0.000 0.981 19 R CB -0.007 30.309 30.300 0.026 0.000 0.870 19 R HN 0.312 nan 8.270 nan 0.000 0.451 20 K N -0.394 120.087 120.400 0.136 0.000 2.399 20 K HA 0.105 4.424 4.320 -0.000 0.000 0.204 20 K C -0.542 176.060 176.600 0.004 0.000 1.023 20 K CA -0.156 56.159 56.287 0.047 0.000 1.127 20 K CB 0.563 33.057 32.500 -0.010 0.000 0.856 20 K HN 0.146 nan 8.250 nan 0.000 0.514 21 H N 0.443 119.482 119.070 -0.052 0.000 2.505 21 H HA 0.199 4.755 4.556 -0.000 0.000 0.351 21 H C -0.286 175.012 175.328 -0.051 0.000 1.151 21 H CA -0.261 55.754 56.048 -0.054 0.000 1.339 21 H CB 0.811 30.535 29.762 -0.064 0.000 1.483 21 H HN -0.088 nan 8.280 nan 0.000 0.558 22 N N 1.801 120.518 118.700 0.029 0.000 2.725 22 N HA 0.118 4.858 4.740 -0.000 0.000 0.248 22 N C -1.930 173.589 175.510 0.015 0.000 1.402 22 N CA -0.666 52.387 53.050 0.004 0.000 0.766 22 N CB -0.021 38.441 38.487 -0.040 0.000 1.223 22 N HN 0.785 nan 8.380 nan 0.000 0.515 23 N N -0.514 118.207 118.700 0.034 0.000 2.591 23 N HA 0.272 5.012 4.740 -0.000 0.000 0.263 23 N C 0.169 175.701 175.510 0.037 0.000 1.308 23 N CA -0.747 52.324 53.050 0.035 0.000 0.837 23 N CB 0.434 38.946 38.487 0.043 0.000 1.548 23 N HN -0.001 nan 8.380 nan 0.000 0.493 24 C N -0.404 118.928 119.300 0.054 0.000 2.401 24 C HA -0.110 4.350 4.460 -0.000 0.000 0.276 24 C C 2.585 177.655 174.990 0.133 0.000 1.233 24 C CA 0.735 59.821 59.018 0.114 0.000 1.753 24 C CB -1.044 26.759 27.740 0.106 0.000 2.029 24 C HN 0.772 nan 8.230 nan 0.000 0.478 25 M N 1.641 121.265 119.600 0.041 0.000 2.065 25 M HA -0.155 4.325 4.480 -0.000 0.000 0.259 25 M C 2.363 178.657 176.300 -0.010 0.000 1.069 25 M CA 2.565 57.859 55.300 -0.009 0.000 1.110 25 M CB -1.012 31.547 32.600 -0.068 0.000 1.328 25 M HN 0.355 nan 8.290 nan 0.000 0.405 26 A N -0.825 121.977 122.820 -0.029 0.000 2.019 26 A HA -0.093 4.226 4.320 -0.000 0.000 0.219 26 A C 2.156 179.701 177.584 -0.065 0.000 1.164 26 A CA 1.952 53.950 52.037 -0.065 0.000 0.644 26 A CB -0.804 18.174 19.000 -0.038 0.000 0.805 26 A HN 0.638 nan 8.150 nan 0.000 0.449 27 S N -1.122 114.525 115.700 -0.089 0.000 2.515 27 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 27 S C 1.290 175.613 174.600 -0.462 0.000 0.987 27 S CA 0.698 58.745 58.200 -0.256 0.000 0.936 27 S CB -0.268 62.739 63.200 -0.322 0.000 0.766 27 S HN 0.761 nan 8.310 nan 0.000 0.528 28 H N -1.018 118.053 119.070 0.002 0.000 3.170 28 H HA 0.310 4.866 4.556 -0.000 0.000 0.264 28 H C -0.099 175.248 175.328 0.032 0.000 1.113 28 H CA -0.394 55.664 56.048 0.016 0.000 1.194 28 H CB 0.228 29.996 29.762 0.010 0.000 1.553 28 H HN 0.222 nan 8.280 nan 0.000 0.538 29 L N 3.273 124.556 121.223 0.101 0.000 2.367 29 L HA 0.225 4.565 4.340 -0.000 0.000 0.275 29 L C 0.536 177.513 176.870 0.179 0.000 1.129 29 L CA 0.230 55.142 54.840 0.120 0.000 0.839 29 L CB 0.831 42.905 42.059 0.024 0.000 1.133 29 L HN 0.184 nan 8.230 nan 0.000 0.453 30 T N 1.431 116.123 114.554 0.230 0.000 2.901 30 T HA 0.558 4.908 4.350 -0.000 0.000 0.293 30 T C -2.247 172.565 174.700 0.186 0.000 1.084 30 T CA -1.649 60.561 62.100 0.184 0.000 1.008 30 T CB 1.589 70.514 68.868 0.095 0.000 1.170 30 T HN 0.326 nan 8.240 nan 0.000 0.509 31 P HA -0.032 nan 4.420 nan 0.000 0.215 31 P C 1.690 179.009 177.300 0.032 0.000 1.153 31 P CA 1.701 64.672 63.100 -0.214 0.000 0.853 31 P CB -0.253 31.244 31.700 -0.339 0.000 0.788 32 A N -0.721 122.120 122.820 0.034 0.000 1.877 32 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 32 A C 2.335 179.978 177.584 0.098 0.000 1.186 32 A CA 1.919 53.989 52.037 0.057 0.000 0.620 32 A CB -1.682 17.343 19.000 0.041 0.000 0.822 32 A HN 0.034 nan 8.150 nan 0.000 0.443 33 V N -1.652 118.342 119.914 0.132 0.000 2.358 33 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 33 V C 2.325 178.519 176.094 0.167 0.000 1.047 33 V CA 1.997 64.383 62.300 0.143 0.000 1.035 33 V CB -0.991 30.925 31.823 0.154 0.000 0.658 33 V HN 0.685 nan 8.190 nan 0.000 0.452 34 Y N 1.407 121.787 120.300 0.133 0.000 2.128 34 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 34 Y C 2.423 178.388 175.900 0.108 0.000 1.154 34 Y CA 1.700 59.887 58.100 0.145 0.000 1.149 34 Y CB -0.539 38.100 38.460 0.299 0.000 0.976 34 Y HN 0.159 nan 8.280 nan 0.000 0.505 35 A N 0.154 123.075 122.820 0.168 0.000 1.933 35 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 35 A C 2.321 179.910 177.584 0.007 0.000 1.175 35 A CA 1.775 53.855 52.037 0.073 0.000 0.628 35 A CB -0.761 18.294 19.000 0.092 0.000 0.814 35 A HN 0.540 nan 8.150 nan 0.000 0.444 36 R N -0.554 119.963 120.500 0.028 0.000 2.115 36 R HA 0.051 4.391 4.340 -0.000 0.000 0.230 36 R C 1.436 177.747 176.300 0.019 0.000 1.111 36 R CA 1.353 57.469 56.100 0.027 0.000 0.976 36 R CB -0.207 30.121 30.300 0.046 0.000 0.870 36 R HN 0.518 nan 8.270 nan 0.000 0.445 37 L N -0.041 121.187 121.223 0.008 0.000 2.556 37 L HA 0.059 4.399 4.340 -0.000 0.000 0.226 37 L C 2.428 179.300 176.870 0.004 0.000 1.089 37 L CA -0.075 54.809 54.840 0.074 0.000 0.864 37 L CB 0.082 42.267 42.059 0.210 0.000 1.067 37 L HN 0.390 nan 8.230 nan 0.000 0.477 38 C N -1.628 117.535 119.300 -0.229 0.000 2.409 38 C HA -0.102 4.358 4.460 -0.000 0.000 0.288 38 C C 1.793 176.724 174.990 -0.099 0.000 1.395 38 C CA 0.312 59.141 59.018 -0.314 0.000 1.792 38 C CB -0.716 26.697 27.740 -0.545 0.000 1.847 38 C HN 0.453 nan 8.230 nan 0.000 0.534 39 D N 0.504 120.886 120.400 -0.030 0.000 2.366 39 D HA 0.106 4.746 4.640 -0.000 0.000 0.205 39 D C 0.741 177.062 176.300 0.034 0.000 1.022 39 D CA 0.426 54.428 54.000 0.005 0.000 0.868 39 D CB 0.045 40.847 40.800 0.003 0.000 0.953 39 D HN 0.646 nan 8.370 nan 0.000 0.514 40 K N 0.285 120.725 120.400 0.067 0.000 2.219 40 K HA 0.319 4.639 4.320 -0.000 0.000 0.258 40 K C 0.151 176.820 176.600 0.115 0.000 1.008 40 K CA 0.273 56.581 56.287 0.037 0.000 0.928 40 K CB 1.233 33.691 32.500 -0.070 0.000 0.983 40 K HN -0.195 nan 8.250 nan 0.000 0.484 41 T N 0.374 114.948 114.554 0.033 0.000 2.894 41 T HA 0.268 4.618 4.350 -0.000 0.000 0.309 41 T C -0.906 173.822 174.700 0.047 0.000 1.208 41 T CA -0.739 61.431 62.100 0.116 0.000 1.016 41 T CB 1.427 70.350 68.868 0.091 0.000 1.192 41 T HN 0.746 nan 8.240 nan 0.000 0.491 42 T N 1.178 115.821 114.554 0.148 0.000 2.881 42 T HA 0.467 4.817 4.350 -0.000 0.000 0.278 42 T C -1.830 172.924 174.700 0.089 0.000 0.982 42 T CA -1.566 60.592 62.100 0.096 0.000 0.989 42 T CB 0.695 69.675 68.868 0.187 0.000 1.058 42 T HN 0.251 nan 8.240 nan 0.000 0.529 43 P HA -0.056 nan 4.420 nan 0.000 0.218 43 P C 1.301 178.646 177.300 0.076 0.000 1.146 43 P CA 1.214 64.346 63.100 0.054 0.000 0.813 43 P CB -0.206 31.517 31.700 0.039 0.000 0.778 44 T N -5.842 108.773 114.554 0.102 0.000 3.163 44 T HA 0.430 4.780 4.350 -0.000 0.000 0.252 44 T C 1.342 176.137 174.700 0.159 0.000 1.056 44 T CA 0.224 62.392 62.100 0.114 0.000 0.947 44 T CB -0.574 68.356 68.868 0.103 0.000 1.016 44 T HN 0.225 nan 8.240 nan 0.000 0.554 45 G N 0.833 109.737 108.800 0.174 0.000 2.157 45 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.248 45 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.248 45 G C -0.049 175.013 174.900 0.271 0.000 0.979 45 G CA -0.224 44.989 45.100 0.188 0.000 0.650 45 G HN 0.667 nan 8.290 nan 0.000 0.529 46 W N 2.538 123.904 121.300 0.110 0.000 2.216 46 W HA 0.489 5.149 4.660 -0.000 0.000 0.326 46 W C 0.814 177.457 176.519 0.206 0.000 1.319 46 W CA 0.815 58.237 57.345 0.129 0.000 1.213 46 W CB 0.987 30.527 29.460 0.134 0.000 1.171 46 W HN 0.426 nan 8.180 nan 0.000 0.557 47 T N 2.454 116.787 114.554 -0.368 0.000 2.927 47 T HA 0.228 4.578 4.350 -0.000 0.000 0.286 47 T C 0.557 174.810 174.700 -0.745 0.000 1.040 47 T CA -0.888 61.043 62.100 -0.282 0.000 1.010 47 T CB 1.745 70.470 68.868 -0.237 0.000 1.177 47 T HN 0.427 nan 8.240 nan 0.000 0.546 48 L N 0.606 121.394 121.223 -0.724 0.000 2.017 48 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 48 L C 1.998 178.558 176.870 -0.516 0.000 1.073 48 L CA 2.044 56.364 54.840 -0.867 0.000 0.745 48 L CB -1.044 40.683 42.059 -0.553 0.000 0.894 48 L HN 0.731 nan 8.230 nan 0.000 0.432 49 D N -0.673 119.509 120.400 -0.363 0.000 2.149 49 D HA -0.220 4.420 4.640 -0.000 0.000 0.198 49 D C 2.201 178.294 176.300 -0.344 0.000 0.990 49 D CA 1.376 55.230 54.000 -0.243 0.000 0.839 49 D CB -0.056 40.651 40.800 -0.156 0.000 0.948 49 D HN 0.562 nan 8.370 nan 0.000 0.460 50 Q N -0.451 118.998 119.800 -0.584 0.000 2.167 50 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 50 Q C 2.447 178.126 176.000 -0.535 0.000 0.970 50 Q CA 0.742 56.078 55.803 -0.778 0.000 0.855 50 Q CB -0.014 27.758 28.738 -1.609 0.000 0.911 50 Q HN 0.314 nan 8.270 nan 0.000 0.438 51 C N 0.745 119.757 119.300 -0.481 0.000 2.432 51 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 51 C C 2.481 177.446 174.990 -0.041 0.000 1.249 51 C CA 0.839 59.844 59.018 -0.022 0.000 1.725 51 C CB -0.877 26.812 27.740 -0.084 0.000 2.028 51 C HN 0.637 nan 8.230 nan 0.000 0.477 52 I N -0.318 120.161 120.570 -0.152 0.000 3.684 52 I HA 0.020 4.190 4.170 -0.000 0.000 0.304 52 I C 2.234 178.299 176.117 -0.088 0.000 1.278 52 I CA 0.795 62.023 61.300 -0.121 0.000 1.272 52 I CB -0.677 37.233 38.000 -0.150 0.000 1.029 52 I HN 0.196 nan 8.210 nan 0.000 0.458 53 Q N 1.816 121.566 119.800 -0.084 0.000 2.096 53 Q HA -0.255 4.085 4.340 -0.000 0.000 0.208 53 Q C 2.325 178.315 176.000 -0.017 0.000 0.993 53 Q CA 3.111 58.879 55.803 -0.058 0.000 0.862 53 Q CB -0.787 27.920 28.738 -0.052 0.000 0.915 53 Q HN 0.559 nan 8.270 nan 0.000 0.416 54 T N -1.469 113.093 114.554 0.013 0.000 2.788 54 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 54 T C 1.557 176.271 174.700 0.023 0.000 1.044 54 T CA 1.554 63.670 62.100 0.027 0.000 1.139 54 T CB -0.663 68.234 68.868 0.048 0.000 0.867 54 T HN 0.550 nan 8.240 nan 0.000 0.454 55 G N 0.110 108.917 108.800 0.011 0.000 2.443 55 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.219 55 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.219 55 G C 1.636 176.583 174.900 0.079 0.000 1.131 55 G CA 0.925 46.042 45.100 0.029 0.000 0.775 55 G HN 0.508 nan 8.290 nan 0.000 0.547 56 V N 1.111 121.032 119.914 0.011 0.000 2.407 56 V HA -0.068 4.052 4.120 -0.000 0.000 0.245 56 V C 2.357 178.550 176.094 0.164 0.000 1.041 56 V CA 1.855 64.167 62.300 0.019 0.000 1.040 56 V CB -0.267 31.496 31.823 -0.100 0.000 0.671 56 V HN 0.205 nan 8.190 nan 0.000 0.455 57 D N 0.254 120.692 120.400 0.063 0.000 2.219 57 D HA -0.039 4.601 4.640 -0.000 0.000 0.205 57 D C 0.674 176.983 176.300 0.014 0.000 0.970 57 D CA 0.850 54.871 54.000 0.035 0.000 0.851 57 D CB -0.142 40.664 40.800 0.010 0.000 0.943 57 D HN 0.406 nan 8.370 nan 0.000 0.488 58 N N 0.568 119.278 118.700 0.017 0.000 2.696 58 N HA 0.156 4.896 4.740 -0.000 0.000 0.246 58 N C -2.093 173.359 175.510 -0.096 0.000 1.057 58 N CA -1.107 51.920 53.050 -0.039 0.000 0.867 58 N CB 2.183 40.661 38.487 -0.015 0.000 1.141 58 N HN -0.092 nan 8.380 nan 0.000 0.517 59 P HA -0.090 nan 4.420 nan 0.000 0.218 59 P C 0.795 177.951 177.300 -0.241 0.000 1.148 59 P CA 1.195 63.931 63.100 -0.608 0.000 0.822 59 P CB 0.323 31.637 31.700 -0.642 0.000 0.784 60 G N -1.596 107.120 108.800 -0.138 0.000 2.685 60 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.387 60 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.387 60 G C -1.219 173.664 174.900 -0.027 0.000 1.324 60 G CA -0.471 44.597 45.100 -0.053 0.000 0.878 60 G HN 0.439 nan 8.290 nan 0.000 0.527 61 H N 0.862 119.857 119.070 -0.125 0.000 2.463 61 H HA 0.649 5.205 4.556 -0.000 0.000 0.332 61 H C -1.399 173.813 175.328 -0.194 0.000 1.127 61 H CA -1.794 54.140 56.048 -0.189 0.000 1.238 61 H CB 1.817 31.483 29.762 -0.161 0.000 1.478 61 H HN 0.124 nan 8.280 nan 0.000 0.499 62 P HA -0.108 nan 4.420 nan 0.000 0.222 62 P C 0.522 177.657 177.300 -0.275 0.000 1.147 62 P CA 1.047 63.858 63.100 -0.482 0.000 0.790 62 P CB 0.174 31.559 31.700 -0.524 0.000 0.780 63 F N -0.576 119.009 119.950 -0.608 0.000 2.317 63 F HA 0.187 4.714 4.527 -0.000 0.000 0.290 63 F C 1.495 177.247 175.800 -0.080 0.000 1.075 63 F CA -0.678 57.153 58.000 -0.281 0.000 1.380 63 F CB -1.279 37.587 39.000 -0.223 0.000 1.093 63 F HN -0.177 nan 8.300 nan 0.000 0.524 64 I N -0.978 119.701 120.570 0.182 0.000 2.359 64 I HA 0.413 4.583 4.170 -0.000 0.000 0.294 64 I C -0.248 175.915 176.117 0.078 0.000 0.987 64 I CA -0.703 60.685 61.300 0.146 0.000 1.225 64 I CB 1.526 39.630 38.000 0.173 0.000 1.366 64 I HN -0.166 nan 8.210 nan 0.000 0.466 65 K N 5.470 125.900 120.400 0.051 0.000 2.265 65 K HA 0.387 4.707 4.320 -0.000 0.000 0.267 65 K C -0.188 176.431 176.600 0.030 0.000 0.994 65 K CA -0.475 55.831 56.287 0.032 0.000 0.860 65 K CB 1.471 33.986 32.500 0.025 0.000 1.099 65 K HN 0.909 nan 8.250 nan 0.000 0.448 66 T N -0.830 113.741 114.554 0.029 0.000 2.849 66 T HA 0.110 4.460 4.350 -0.000 0.000 0.284 66 T C 1.526 176.243 174.700 0.028 0.000 1.004 66 T CA -0.952 61.165 62.100 0.028 0.000 1.021 66 T CB 1.313 70.197 68.868 0.027 0.000 1.013 66 T HN 0.198 nan 8.240 nan 0.000 0.527 67 V N 1.229 121.161 119.914 0.030 0.000 2.307 67 V HA 0.166 4.286 4.120 -0.000 0.000 0.245 67 V C 2.411 178.517 176.094 0.021 0.000 1.045 67 V CA 2.015 64.334 62.300 0.031 0.000 1.024 67 V CB -1.671 30.181 31.823 0.049 0.000 0.651 67 V HN 1.418 nan 8.190 nan 0.000 0.449 68 G N 0.437 109.251 108.800 0.023 0.000 2.141 68 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.242 68 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.242 68 G C 0.060 174.952 174.900 -0.014 0.000 0.982 68 G CA 0.471 45.578 45.100 0.012 0.000 0.662 68 G HN 0.766 nan 8.290 nan 0.000 0.527 69 M N -1.878 117.720 119.600 -0.004 0.000 2.562 69 M HA 0.727 5.207 4.480 -0.000 0.000 0.281 69 M C -0.611 175.750 176.300 0.102 0.000 1.195 69 M CA -0.929 54.364 55.300 -0.011 0.000 0.888 69 M CB 2.195 34.682 32.600 -0.189 0.000 1.731 69 M HN 0.948 nan 8.290 nan 0.000 0.493 70 V N -0.840 119.193 119.914 0.198 0.000 3.074 70 V HA 1.066 5.186 4.120 -0.000 0.000 0.314 70 V C -0.471 175.831 176.094 0.346 0.000 1.117 70 V CA -0.401 62.052 62.300 0.255 0.000 1.014 70 V CB 1.441 33.380 31.823 0.193 0.000 1.057 70 V HN 1.242 nan 8.190 nan 0.000 0.438 71 A N 0.888 123.787 122.820 0.132 0.000 2.312 71 A HA 0.796 5.116 4.320 -0.000 0.000 0.326 71 A C 1.001 178.371 177.584 -0.356 0.000 1.172 71 A CA 0.005 51.965 52.037 -0.129 0.000 0.821 71 A CB 1.226 19.932 19.000 -0.490 0.000 1.166 71 A HN 1.759 nan 8.150 nan 0.000 0.493 72 G N 0.348 108.617 108.800 -0.885 0.000 2.662 72 G HA2 0.387 4.347 3.960 -0.000 0.000 0.212 72 G HA3 0.387 4.347 3.960 -0.000 0.000 0.212 72 G C -0.004 174.459 174.900 -0.729 0.000 1.141 72 G CA 0.940 45.075 45.100 -1.607 0.000 0.797 72 G HN 0.920 nan 8.290 nan 0.000 0.531 73 D N -2.924 117.226 120.400 -0.418 0.000 2.738 73 D HA 0.116 4.756 4.640 -0.000 0.000 0.308 73 D C 0.644 176.907 176.300 -0.063 0.000 1.311 73 D CA -0.632 53.266 54.000 -0.170 0.000 0.799 73 D CB 0.563 41.305 40.800 -0.097 0.000 1.332 73 D HN -0.090 nan 8.370 nan 0.000 0.441 74 E N -0.586 119.625 120.200 0.019 0.000 2.077 74 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 74 E C 0.950 177.590 176.600 0.067 0.000 0.989 74 E CA 1.431 57.877 56.400 0.076 0.000 0.800 74 E CB 0.087 29.834 29.700 0.078 0.000 0.746 74 E HN 0.449 nan 8.360 nan 0.000 0.452 75 E N -0.209 120.008 120.200 0.029 0.000 2.268 75 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 75 E C 1.911 178.499 176.600 -0.021 0.000 0.995 75 E CA 1.357 57.762 56.400 0.009 0.000 0.836 75 E CB -0.266 29.438 29.700 0.007 0.000 0.763 75 E HN 0.219 nan 8.360 nan 0.000 0.491 76 T N 0.200 114.737 114.554 -0.028 0.000 2.653 76 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 76 T C 1.205 175.747 174.700 -0.264 0.000 1.035 76 T CA 1.484 63.564 62.100 -0.033 0.000 1.154 76 T CB -0.509 68.266 68.868 -0.154 0.000 0.862 76 T HN 0.265 nan 8.240 nan 0.000 0.441 77 Y N 1.125 121.242 120.300 -0.304 0.000 2.403 77 Y HA -0.042 4.508 4.550 -0.000 0.000 0.291 77 Y C 2.512 178.322 175.900 -0.150 0.000 1.143 77 Y CA 0.864 58.743 58.100 -0.369 0.000 1.257 77 Y CB -0.141 38.146 38.460 -0.289 0.000 0.984 77 Y HN 0.354 nan 8.280 nan 0.000 0.550 78 E N -0.502 119.702 120.200 0.007 0.000 2.079 78 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 78 E C 2.179 178.733 176.600 -0.075 0.000 0.961 78 E CA 0.788 57.181 56.400 -0.012 0.000 0.823 78 E CB -0.024 29.662 29.700 -0.023 0.000 0.789 78 E HN 0.167 nan 8.360 nan 0.000 0.459 79 V N 0.839 120.637 119.914 -0.193 0.000 2.332 79 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 79 V C 1.347 177.137 176.094 -0.507 0.000 1.055 79 V CA 1.571 63.613 62.300 -0.429 0.000 1.038 79 V CB -0.436 30.963 31.823 -0.706 0.000 0.651 79 V HN 0.253 nan 8.190 nan 0.000 0.450 80 F N -0.263 119.740 119.950 0.089 0.000 2.750 80 F HA 0.556 5.083 4.527 -0.000 0.000 0.297 80 F C 1.700 177.666 175.800 0.275 0.000 1.138 80 F CA -0.062 58.053 58.000 0.192 0.000 1.346 80 F CB -0.823 38.368 39.000 0.318 0.000 0.965 80 F HN -0.003 nan 8.300 nan 0.000 0.514 81 A N -0.125 122.850 122.820 0.257 0.000 1.986 81 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 81 A C 2.015 179.740 177.584 0.235 0.000 1.171 81 A CA 2.093 54.278 52.037 0.247 0.000 0.640 81 A CB -0.478 18.601 19.000 0.131 0.000 0.811 81 A HN 0.250 nan 8.150 nan 0.000 0.451 82 D N -0.818 119.698 120.400 0.195 0.000 2.309 82 D HA -0.082 4.558 4.640 -0.000 0.000 0.212 82 D C 1.631 178.021 176.300 0.150 0.000 0.968 82 D CA 0.653 54.743 54.000 0.150 0.000 0.882 82 D CB -0.009 40.867 40.800 0.126 0.000 0.918 82 D HN 0.475 nan 8.370 nan 0.000 0.503 83 L N -1.453 119.885 121.223 0.192 0.000 2.445 83 L HA 0.062 4.402 4.340 -0.000 0.000 0.207 83 L C 1.750 178.635 176.870 0.025 0.000 1.053 83 L CA 0.224 55.115 54.840 0.084 0.000 0.841 83 L CB -0.065 42.009 42.059 0.025 0.000 1.074 83 L HN -0.116 nan 8.230 nan 0.000 0.479 84 F N 1.292 121.309 119.950 0.112 0.000 2.102 84 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 84 F C 2.279 178.143 175.800 0.107 0.000 1.105 84 F CA 1.704 59.782 58.000 0.129 0.000 1.239 84 F CB -0.316 38.803 39.000 0.198 0.000 0.991 84 F HN 0.173 nan 8.300 nan 0.000 0.474 85 D N 0.084 120.646 120.400 0.270 0.000 2.106 85 D HA -0.159 4.481 4.640 -0.000 0.000 0.191 85 D C -0.385 175.945 176.300 0.050 0.000 0.997 85 D CA 1.598 55.694 54.000 0.160 0.000 0.834 85 D CB -1.946 38.925 40.800 0.118 0.000 0.956 85 D HN 0.184 nan 8.370 nan 0.000 0.448 86 P HA -0.083 nan 4.420 nan 0.000 0.216 86 P C 1.787 178.812 177.300 -0.459 0.000 1.150 86 P CA 0.638 63.577 63.100 -0.269 0.000 0.837 86 P CB 0.134 31.631 31.700 -0.340 0.000 0.786 87 V N -0.472 119.254 119.914 -0.314 0.000 2.307 87 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 87 V C 2.345 178.449 176.094 0.016 0.000 1.045 87 V CA 1.548 63.745 62.300 -0.170 0.000 1.024 87 V CB -1.004 30.764 31.823 -0.091 0.000 0.651 87 V HN 0.040 nan 8.190 nan 0.000 0.449 88 I N -0.318 120.331 120.570 0.131 0.000 2.208 88 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 88 I C 2.657 178.933 176.117 0.265 0.000 1.097 88 I CA 1.860 63.325 61.300 0.275 0.000 1.363 88 I CB -0.340 37.830 38.000 0.283 0.000 1.051 88 I HN 0.391 nan 8.210 nan 0.000 0.413 89 Q N 0.661 120.551 119.800 0.150 0.000 2.084 89 Q HA -0.283 4.056 4.340 -0.000 0.000 0.202 89 Q C 2.161 178.227 176.000 0.110 0.000 0.978 89 Q CA 1.877 57.763 55.803 0.138 0.000 0.844 89 Q CB -0.007 28.769 28.738 0.063 0.000 0.898 89 Q HN 0.488 nan 8.270 nan 0.000 0.426 90 E N -0.212 120.022 120.200 0.058 0.000 2.047 90 E HA -0.239 4.111 4.350 -0.000 0.000 0.191 90 E C 2.066 178.689 176.600 0.038 0.000 0.987 90 E CA 0.893 57.339 56.400 0.076 0.000 0.799 90 E CB 0.004 29.792 29.700 0.147 0.000 0.752 90 E HN 0.062 nan 8.360 nan 0.000 0.449 91 R N 0.272 120.769 120.500 -0.004 0.000 2.120 91 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 91 R C 0.861 176.954 176.300 -0.345 0.000 1.123 91 R CA 1.524 57.524 56.100 -0.167 0.000 0.975 91 R CB -0.200 29.972 30.300 -0.214 0.000 0.866 91 R HN 0.296 nan 8.270 nan 0.000 0.446 92 H N 1.680 120.783 119.070 0.055 0.000 2.524 92 H HA 0.150 4.706 4.556 -0.000 0.000 0.297 92 H C -0.456 174.919 175.328 0.078 0.000 1.115 92 H CA -0.029 56.048 56.048 0.048 0.000 1.027 92 H CB -0.712 29.066 29.762 0.026 0.000 1.591 92 H HN 0.350 nan 8.280 nan 0.000 0.543 93 N N 1.125 119.881 118.700 0.093 0.000 2.834 93 N HA -0.268 4.472 4.740 -0.000 0.000 0.306 93 N C 1.058 176.634 175.510 0.111 0.000 1.120 93 N CA 1.214 54.313 53.050 0.082 0.000 0.783 93 N CB -0.819 37.693 38.487 0.043 0.000 0.997 93 N HN 0.739 nan 8.380 nan 0.000 0.590 94 G N 0.741 109.612 108.800 0.118 0.000 2.349 94 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.213 94 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.213 94 G C -0.116 174.856 174.900 0.120 0.000 1.044 94 G CA 0.111 45.272 45.100 0.101 0.000 0.633 94 G HN 0.723 nan 8.290 nan 0.000 0.506 95 Y N 3.024 123.367 120.300 0.071 0.000 2.802 95 Y HA 0.393 4.943 4.550 -0.000 0.000 0.333 95 Y C 0.161 176.089 175.900 0.046 0.000 1.244 95 Y CA 0.600 58.734 58.100 0.058 0.000 1.558 95 Y CB 0.580 39.075 38.460 0.059 0.000 1.233 95 Y HN 0.222 nan 8.280 nan 0.000 0.547 96 D N 9.207 129.352 120.400 -0.426 0.000 2.427 96 D HA 0.259 4.899 4.640 -0.000 0.000 0.226 96 D C -1.985 174.081 176.300 -0.390 0.000 1.076 96 D CA -2.558 51.290 54.000 -0.254 0.000 0.849 96 D CB 1.372 42.077 40.800 -0.159 0.000 1.052 96 D HN 0.313 nan 8.370 nan 0.000 0.515 97 P HA -0.079 nan 4.420 nan 0.000 0.231 97 P C 0.910 178.180 177.300 -0.049 0.000 1.158 97 P CA 0.467 63.555 63.100 -0.020 0.000 0.763 97 P CB 0.416 32.195 31.700 0.132 0.000 0.805 98 R N -0.325 120.136 120.500 -0.064 0.000 2.210 98 R HA 0.052 4.391 4.340 -0.000 0.000 0.203 98 R C 1.772 178.037 176.300 -0.059 0.000 1.010 98 R CA 1.687 57.763 56.100 -0.041 0.000 1.008 98 R CB -0.076 30.213 30.300 -0.019 0.000 0.923 98 R HN 0.304 nan 8.270 nan 0.000 0.469 99 T N -3.992 110.500 114.554 -0.102 0.000 3.041 99 T HA 0.338 4.687 4.350 -0.000 0.000 0.276 99 T C 0.590 175.222 174.700 -0.112 0.000 0.948 99 T CA -0.321 61.726 62.100 -0.088 0.000 0.885 99 T CB 0.430 69.255 68.868 -0.071 0.000 1.175 99 T HN -0.154 nan 8.240 nan 0.000 0.529 100 M N 0.990 120.464 119.600 -0.209 0.000 2.762 100 M HA 0.612 5.092 4.480 -0.000 0.000 0.306 100 M C -0.783 175.473 176.300 -0.073 0.000 1.223 100 M CA -0.824 54.348 55.300 -0.213 0.000 0.896 100 M CB 2.307 34.597 32.600 -0.517 0.000 1.684 100 M HN -0.112 nan 8.290 nan 0.000 0.491 101 K N -0.008 120.440 120.400 0.079 0.000 2.375 101 K HA 0.446 4.766 4.320 -0.000 0.000 0.249 101 K C -1.515 175.261 176.600 0.293 0.000 0.942 101 K CA -0.865 55.522 56.287 0.166 0.000 0.806 101 K CB 2.333 34.885 32.500 0.088 0.000 1.227 101 K HN 0.589 nan 8.250 nan 0.000 0.430 102 H N 0.325 119.478 119.070 0.139 0.000 2.458 102 H HA 0.260 4.816 4.556 -0.000 0.000 0.330 102 H C -1.036 174.358 175.328 0.111 0.000 1.111 102 H CA -0.147 55.949 56.048 0.080 0.000 1.245 102 H CB 1.442 31.148 29.762 -0.092 0.000 1.456 102 H HN 0.524 nan 8.280 nan 0.000 0.488 103 T N 3.309 117.579 114.554 -0.474 0.000 2.797 103 T HA 0.379 4.728 4.350 -0.000 0.000 0.279 103 T C -0.452 174.075 174.700 -0.289 0.000 0.991 103 T CA -0.753 61.226 62.100 -0.202 0.000 0.979 103 T CB 0.782 69.623 68.868 -0.046 0.000 0.943 103 T HN 0.633 nan 8.240 nan 0.000 0.444 104 T N 4.224 118.797 114.554 0.031 0.000 2.837 104 T HA 0.489 4.839 4.350 -0.000 0.000 0.285 104 T C -0.897 173.869 174.700 0.110 0.000 0.984 104 T CA -0.386 61.802 62.100 0.147 0.000 1.049 104 T CB 0.933 69.936 68.868 0.225 0.000 0.947 104 T HN 0.721 nan 8.240 nan 0.000 0.472 105 D N 2.867 123.361 120.400 0.157 0.000 2.478 105 D HA 0.236 4.876 4.640 -0.000 0.000 0.240 105 D C -0.440 175.981 176.300 0.203 0.000 1.364 105 D CA -0.437 53.648 54.000 0.141 0.000 0.987 105 D CB 0.812 41.685 40.800 0.121 0.000 1.328 105 D HN 0.358 nan 8.370 nan 0.000 0.584 106 L N 2.618 123.928 121.223 0.146 0.000 3.094 106 L HA 0.273 4.613 4.340 -0.000 0.000 0.254 106 L C 0.255 177.138 176.870 0.021 0.000 1.298 106 L CA -0.251 54.655 54.840 0.110 0.000 1.050 106 L CB 0.417 42.510 42.059 0.057 0.000 1.420 106 L HN 0.194 nan 8.230 nan 0.000 0.548 107 D N 0.818 121.264 120.400 0.076 0.000 2.479 107 D HA 0.245 4.885 4.640 -0.000 0.000 0.218 107 D C 1.149 177.500 176.300 0.086 0.000 1.131 107 D CA -0.077 53.951 54.000 0.046 0.000 0.916 107 D CB 1.614 42.447 40.800 0.056 0.000 1.022 107 D HN 0.230 nan 8.370 nan 0.000 0.515 108 A N 2.627 125.443 122.820 -0.007 0.000 2.076 108 A HA -0.163 4.156 4.320 -0.000 0.000 0.220 108 A C 2.099 179.753 177.584 0.117 0.000 1.160 108 A CA 1.599 53.672 52.037 0.060 0.000 0.653 108 A CB -0.436 18.482 19.000 -0.136 0.000 0.801 108 A HN 0.561 nan 8.150 nan 0.000 0.455 109 S N -0.153 115.584 115.700 0.062 0.000 2.507 109 S HA -0.091 4.379 4.470 -0.000 0.000 0.235 109 S C 1.419 176.060 174.600 0.069 0.000 0.988 109 S CA 1.188 59.421 58.200 0.055 0.000 0.944 109 S CB -0.337 62.882 63.200 0.031 0.000 0.762 109 S HN 0.642 nan 8.310 nan 0.000 0.526 110 K N 0.483 120.939 120.400 0.094 0.000 2.487 110 K HA 0.223 4.543 4.320 -0.000 0.000 0.192 110 K C -0.125 176.527 176.600 0.086 0.000 1.027 110 K CA -0.012 56.325 56.287 0.083 0.000 1.054 110 K CB -0.009 32.544 32.500 0.089 0.000 0.824 110 K HN 0.395 nan 8.250 nan 0.000 0.510 111 I N 2.581 123.216 120.570 0.110 0.000 2.441 111 I HA 0.073 4.243 4.170 -0.000 0.000 0.287 111 I C 0.326 176.473 176.117 0.050 0.000 1.049 111 I CA 0.039 61.389 61.300 0.084 0.000 1.381 111 I CB 0.678 38.750 38.000 0.121 0.000 1.409 111 I HN 0.016 nan 8.210 nan 0.000 0.523 112 R N 3.930 124.449 120.500 0.032 0.000 2.460 112 R HA 0.541 4.881 4.340 -0.000 0.000 0.303 112 R C 0.550 176.856 176.300 0.011 0.000 0.968 112 R CA -0.341 55.774 56.100 0.026 0.000 0.889 112 R CB 1.769 32.086 30.300 0.028 0.000 1.123 112 R HN 0.836 nan 8.270 nan 0.000 0.455 113 S N 1.399 117.106 115.700 0.013 0.000 3.704 113 S HA -0.221 4.249 4.470 -0.000 0.000 0.630 113 S C 0.811 175.382 174.600 -0.049 0.000 2.383 113 S CA 1.878 60.079 58.200 0.001 0.000 3.461 113 S CB -1.415 61.790 63.200 0.008 0.000 0.276 113 S HN 1.544 nan 8.310 nan 0.000 1.191 114 G N -0.534 108.171 108.800 -0.158 0.000 2.148 114 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.203 114 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.203 114 G C -0.326 174.314 174.900 -0.432 0.000 0.993 114 G CA 0.661 45.561 45.100 -0.333 0.000 0.661 114 G HN 1.625 nan 8.290 nan 0.000 0.518 115 Y N 1.220 121.290 120.300 -0.383 0.000 2.447 115 Y HA 0.685 5.235 4.550 -0.000 0.000 0.325 115 Y C -0.155 175.651 175.900 -0.156 0.000 0.976 115 Y CA -2.540 55.410 58.100 -0.248 0.000 1.280 115 Y CB 0.025 38.431 38.460 -0.089 0.000 1.104 115 Y HN 0.060 nan 8.280 nan 0.000 0.486 116 F N 2.424 122.570 119.950 0.327 0.000 2.410 116 F HA 0.143 4.670 4.527 -0.000 0.000 0.334 116 F C 0.977 176.949 175.800 0.287 0.000 1.134 116 F CA -0.703 57.444 58.000 0.245 0.000 1.227 116 F CB 0.389 39.484 39.000 0.159 0.000 1.194 116 F HN 0.370 nan 8.300 nan 0.000 0.571 117 D N 1.983 122.646 120.400 0.439 0.000 2.349 117 D HA -0.046 4.594 4.640 -0.000 0.000 0.266 117 D C 0.655 177.150 176.300 0.326 0.000 1.293 117 D CA 0.321 54.519 54.000 0.329 0.000 0.926 117 D CB 0.273 41.287 40.800 0.355 0.000 1.090 117 D HN 0.622 nan 8.370 nan 0.000 0.502 118 E N 2.512 122.862 120.200 0.251 0.000 2.533 118 E HA -0.082 4.268 4.350 -0.000 0.000 0.201 118 E C 1.297 177.943 176.600 0.077 0.000 1.097 118 E CA 0.249 56.763 56.400 0.190 0.000 0.887 118 E CB 0.342 30.155 29.700 0.188 0.000 0.855 118 E HN 0.387 nan 8.360 nan 0.000 0.540 119 R N -1.093 119.408 120.500 0.002 0.000 2.280 119 R HA 0.021 4.361 4.340 -0.000 0.000 0.195 119 R C 0.744 176.770 176.300 -0.457 0.000 0.935 119 R CA 0.598 56.551 56.100 -0.245 0.000 1.033 119 R CB 0.384 30.468 30.300 -0.361 0.000 0.964 119 R HN 0.234 nan 8.270 nan 0.000 0.489 120 Y N -1.418 118.914 120.300 0.054 0.000 2.664 120 Y HA 0.198 4.748 4.550 -0.000 0.000 0.278 120 Y C 0.632 176.558 175.900 0.043 0.000 1.130 120 Y CA -0.260 57.862 58.100 0.037 0.000 1.260 120 Y CB 0.750 39.223 38.460 0.022 0.000 1.369 120 Y HN -0.321 nan 8.280 nan 0.000 0.499 121 V N 3.049 123.090 119.914 0.212 0.000 2.368 121 V HA 0.077 4.197 4.120 -0.000 0.000 0.266 121 V C 0.776 176.957 176.094 0.145 0.000 1.045 121 V CA -0.029 62.363 62.300 0.153 0.000 0.899 121 V CB 0.860 32.777 31.823 0.156 0.000 1.006 121 V HN 0.343 nan 8.190 nan 0.000 0.470 122 L N 3.544 124.847 121.223 0.133 0.000 2.131 122 L HA 0.117 4.457 4.340 -0.000 0.000 0.206 122 L C 0.943 177.878 176.870 0.109 0.000 1.087 122 L CA 0.811 55.722 54.840 0.118 0.000 0.767 122 L CB -0.081 42.055 42.059 0.128 0.000 0.917 122 L HN 0.806 nan 8.230 nan 0.000 0.441 123 S N -2.280 113.481 115.700 0.102 0.000 2.565 123 S HA 0.610 5.080 4.470 -0.000 0.000 0.269 123 S C -0.769 173.850 174.600 0.030 0.000 1.153 123 S CA -0.822 57.403 58.200 0.042 0.000 0.835 123 S CB 2.273 65.452 63.200 -0.036 0.000 1.122 123 S HN -0.060 nan 8.310 nan 0.000 0.462 124 S N 0.808 116.527 115.700 0.032 0.000 2.521 124 S HA 0.882 5.352 4.470 -0.000 0.000 0.295 124 S C -0.665 173.940 174.600 0.008 0.000 1.098 124 S CA -1.014 57.218 58.200 0.053 0.000 0.999 124 S CB 1.472 64.742 63.200 0.116 0.000 1.034 124 S HN 0.959 nan 8.310 nan 0.000 0.483 125 R N -0.073 120.419 120.500 -0.013 0.000 2.680 125 R HA 0.803 5.143 4.340 -0.000 0.000 0.269 125 R C -2.268 173.993 176.300 -0.064 0.000 1.026 125 R CA -0.827 55.256 56.100 -0.029 0.000 0.889 125 R CB 0.962 31.229 30.300 -0.055 0.000 1.241 125 R HN 0.362 nan 8.270 nan 0.000 0.463 126 V N 2.571 122.429 119.914 -0.093 0.000 2.531 126 V HA 0.617 4.737 4.120 -0.000 0.000 0.301 126 V C -0.523 175.457 176.094 -0.191 0.000 1.034 126 V CA -0.741 61.408 62.300 -0.250 0.000 0.865 126 V CB 1.604 33.116 31.823 -0.518 0.000 0.995 126 V HN 0.770 nan 8.190 nan 0.000 0.424 127 R N 2.590 123.008 120.500 -0.136 0.000 2.807 127 R HA 0.854 5.194 4.340 -0.000 0.000 0.276 127 R C -1.060 175.297 176.300 0.094 0.000 0.979 127 R CA -0.112 55.991 56.100 0.006 0.000 0.928 127 R CB 2.528 32.794 30.300 -0.056 0.000 1.191 127 R HN 0.781 nan 8.270 nan 0.000 0.471 128 T N 0.268 114.916 114.554 0.157 0.000 2.665 128 T HA 0.662 5.012 4.350 -0.000 0.000 0.303 128 T C -1.396 173.294 174.700 -0.018 0.000 1.334 128 T CA -0.188 61.979 62.100 0.111 0.000 1.011 128 T CB 1.537 70.548 68.868 0.239 0.000 1.573 128 T HN 0.768 nan 8.240 nan 0.000 0.492 129 G N 1.022 109.773 108.800 -0.081 0.000 2.619 129 G HA2 0.745 4.705 3.960 -0.000 0.000 0.296 129 G HA3 0.745 4.705 3.960 -0.000 0.000 0.296 129 G C -1.792 172.951 174.900 -0.263 0.000 1.334 129 G CA -0.599 44.421 45.100 -0.133 0.000 0.934 129 G HN 0.582 nan 8.290 nan 0.000 0.476 130 R N -0.183 120.144 120.500 -0.289 0.000 2.651 130 R HA 0.674 5.014 4.340 -0.000 0.000 0.278 130 R C -1.107 175.094 176.300 -0.165 0.000 1.010 130 R CA -0.733 55.098 56.100 -0.448 0.000 0.896 130 R CB 2.042 31.763 30.300 -0.965 0.000 1.211 130 R HN 0.522 nan 8.270 nan 0.000 0.456 131 S N 2.211 117.883 115.700 -0.047 0.000 2.503 131 S HA 0.546 5.016 4.470 -0.000 0.000 0.301 131 S C 0.059 174.895 174.600 0.393 0.000 1.087 131 S CA -0.777 57.502 58.200 0.132 0.000 1.042 131 S CB 1.379 64.546 63.200 -0.054 0.000 1.043 131 S HN 0.304 nan 8.310 nan 0.000 0.489 132 I N 2.863 123.786 120.570 0.589 0.000 2.337 132 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 132 I C 0.861 177.204 176.117 0.375 0.000 1.046 132 I CA -0.312 61.215 61.300 0.379 0.000 1.324 132 I CB 0.255 38.302 38.000 0.078 0.000 1.409 132 I HN 0.654 nan 8.210 nan 0.000 0.494 133 R N 4.327 125.042 120.500 0.359 0.000 2.585 133 R HA 0.268 4.608 4.340 -0.000 0.000 0.275 133 R C 1.108 177.586 176.300 0.298 0.000 1.018 133 R CA 1.272 57.545 56.100 0.288 0.000 1.072 133 R CB 0.296 30.737 30.300 0.234 0.000 0.953 133 R HN 0.949 nan 8.270 nan 0.000 0.419 134 G N 2.933 111.864 108.800 0.217 0.000 2.194 134 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.236 134 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.236 134 G C -0.245 174.776 174.900 0.202 0.000 0.987 134 G CA 0.087 45.300 45.100 0.188 0.000 0.635 134 G HN 0.475 nan 8.290 nan 0.000 0.520 135 L N 1.498 122.857 121.223 0.227 0.000 2.362 135 L HA 0.645 4.985 4.340 -0.000 0.000 0.271 135 L C 0.609 177.598 176.870 0.198 0.000 1.002 135 L CA -0.953 53.991 54.840 0.173 0.000 0.818 135 L CB 2.092 44.193 42.059 0.069 0.000 1.298 135 L HN 0.097 nan 8.230 nan 0.000 0.420 136 S N 2.208 117.982 115.700 0.123 0.000 2.579 136 S HA 0.370 4.839 4.470 -0.000 0.000 0.275 136 S C 0.106 174.784 174.600 0.131 0.000 1.345 136 S CA -0.558 57.678 58.200 0.060 0.000 1.031 136 S CB 0.481 63.674 63.200 -0.013 0.000 0.892 136 S HN 0.290 nan 8.310 nan 0.000 0.529 137 L N 2.697 123.883 121.223 -0.062 0.000 2.466 137 L HA 0.192 4.532 4.340 -0.000 0.000 0.257 137 L C -1.404 175.424 176.870 -0.070 0.000 1.189 137 L CA -1.866 52.895 54.840 -0.133 0.000 0.813 137 L CB -0.202 41.716 42.059 -0.235 0.000 1.118 137 L HN 0.411 nan 8.230 nan 0.000 0.471 138 P HA -0.156 nan 4.420 nan 0.000 0.218 138 P C -1.547 175.753 177.300 -0.000 0.000 1.152 138 P CA 1.588 64.706 63.100 0.029 0.000 0.857 138 P CB -0.632 31.099 31.700 0.051 0.000 0.787 139 P HA -0.048 nan 4.420 nan 0.000 0.221 139 P C 0.976 178.223 177.300 -0.088 0.000 1.150 139 P CA 1.731 64.804 63.100 -0.046 0.000 0.800 139 P CB -0.308 31.345 31.700 -0.078 0.000 0.787 140 A N -1.456 121.187 122.820 -0.295 0.000 2.287 140 A HA 0.133 4.453 4.320 -0.000 0.000 0.214 140 A C 0.959 178.528 177.584 -0.025 0.000 1.228 140 A CA -0.048 51.872 52.037 -0.195 0.000 0.939 140 A CB -0.995 17.644 19.000 -0.602 0.000 0.992 140 A HN 0.345 nan 8.150 nan 0.000 0.502 141 C N 1.845 121.133 119.300 -0.020 0.000 2.634 141 C HA 0.511 4.970 4.460 -0.000 0.000 0.417 141 C C 1.186 176.206 174.990 0.050 0.000 1.334 141 C CA -0.039 58.997 59.018 0.030 0.000 1.829 141 C CB -0.924 26.847 27.740 0.050 0.000 2.665 141 C HN 0.637 nan 8.230 nan 0.000 0.614 142 T N 1.021 115.605 114.554 0.050 0.000 2.824 142 T HA 0.343 4.693 4.350 -0.000 0.000 0.277 142 T C 1.097 175.819 174.700 0.037 0.000 0.975 142 T CA -0.446 61.685 62.100 0.052 0.000 0.966 142 T CB 0.560 69.459 68.868 0.051 0.000 1.054 142 T HN 0.792 nan 8.240 nan 0.000 0.533 143 R N 0.093 120.613 120.500 0.034 0.000 2.081 143 R HA -0.037 4.302 4.340 -0.000 0.000 0.235 143 R C 2.793 179.098 176.300 0.008 0.000 1.131 143 R CA 1.421 57.533 56.100 0.020 0.000 0.960 143 R CB -0.940 29.372 30.300 0.021 0.000 0.856 143 R HN 0.816 nan 8.270 nan 0.000 0.436 144 A N 1.117 123.945 122.820 0.014 0.000 1.902 144 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 144 A C 1.894 179.478 177.584 -0.000 0.000 1.181 144 A CA 1.428 53.470 52.037 0.009 0.000 0.623 144 A CB -0.339 18.674 19.000 0.021 0.000 0.818 144 A HN 0.327 nan 8.150 nan 0.000 0.443 145 E N -0.913 119.292 120.200 0.008 0.000 2.077 145 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 145 E C 2.342 178.910 176.600 -0.054 0.000 0.989 145 E CA 1.090 57.487 56.400 -0.004 0.000 0.800 145 E CB -0.159 29.554 29.700 0.021 0.000 0.746 145 E HN 0.576 nan 8.360 nan 0.000 0.452 146 R N 0.988 121.465 120.500 -0.037 0.000 2.075 146 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 146 R C 2.225 178.473 176.300 -0.086 0.000 1.126 146 R CA 1.247 57.312 56.100 -0.058 0.000 0.963 146 R CB 0.033 30.323 30.300 -0.018 0.000 0.858 146 R HN 0.023 nan 8.270 nan 0.000 0.435 147 R N -0.128 120.335 120.500 -0.062 0.000 2.152 147 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 147 R C 2.090 178.328 176.300 -0.104 0.000 1.117 147 R CA 1.451 57.510 56.100 -0.067 0.000 0.981 147 R CB -0.119 30.157 30.300 -0.040 0.000 0.870 147 R HN 0.223 nan 8.270 nan 0.000 0.451 148 E N 0.465 120.596 120.200 -0.115 0.000 2.046 148 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 148 E C 1.848 178.267 176.600 -0.302 0.000 0.982 148 E CA 0.985 57.286 56.400 -0.165 0.000 0.800 148 E CB -0.058 29.581 29.700 -0.103 0.000 0.756 148 E HN -0.011 nan 8.360 nan 0.000 0.449 149 V N 1.204 120.926 119.914 -0.320 0.000 2.282 149 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 149 V C 2.444 178.343 176.094 -0.325 0.000 1.057 149 V CA 2.368 64.418 62.300 -0.417 0.000 1.032 149 V CB -0.578 30.956 31.823 -0.482 0.000 0.645 149 V HN 0.422 nan 8.190 nan 0.000 0.447 150 E N 0.591 120.655 120.200 -0.227 0.000 2.038 150 E HA -0.274 4.076 4.350 -0.000 0.000 0.195 150 E C 2.460 178.906 176.600 -0.257 0.000 1.000 150 E CA 1.716 58.000 56.400 -0.194 0.000 0.803 150 E CB -0.129 29.510 29.700 -0.101 0.000 0.750 150 E HN 0.699 nan 8.360 nan 0.000 0.448 151 R N 0.113 120.474 120.500 -0.231 0.000 2.120 151 R HA -0.069 4.270 4.340 -0.000 0.000 0.234 151 R C 2.271 178.397 176.300 -0.290 0.000 1.123 151 R CA 1.242 57.205 56.100 -0.229 0.000 0.975 151 R CB -0.626 29.582 30.300 -0.154 0.000 0.866 151 R HN 0.085 nan 8.270 nan 0.000 0.446 152 V N 1.506 121.178 119.914 -0.403 0.000 2.307 152 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 152 V C 2.521 178.376 176.094 -0.398 0.000 1.045 152 V CA 1.454 63.439 62.300 -0.525 0.000 1.024 152 V CB -0.131 31.111 31.823 -0.968 0.000 0.651 152 V HN 0.130 nan 8.190 nan 0.000 0.449 153 V N -0.541 119.155 119.914 -0.362 0.000 2.307 153 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 153 V C 2.422 178.307 176.094 -0.347 0.000 1.045 153 V CA 1.773 63.890 62.300 -0.305 0.000 1.024 153 V CB -0.266 31.408 31.823 -0.248 0.000 0.651 153 V HN 0.386 nan 8.190 nan 0.000 0.449 154 V N 0.263 119.937 119.914 -0.400 0.000 2.407 154 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 154 V C 2.210 178.127 176.094 -0.296 0.000 1.055 154 V CA 2.229 64.257 62.300 -0.452 0.000 1.049 154 V CB -0.673 30.797 31.823 -0.588 0.000 0.662 154 V HN 0.569 nan 8.190 nan 0.000 0.455 155 D N 0.124 120.378 120.400 -0.242 0.000 2.178 155 D HA -0.090 4.550 4.640 -0.000 0.000 0.201 155 D C 2.153 178.358 176.300 -0.157 0.000 0.980 155 D CA 1.486 55.386 54.000 -0.166 0.000 0.842 155 D CB -0.231 40.486 40.800 -0.138 0.000 0.948 155 D HN 0.456 nan 8.370 nan 0.000 0.472 156 A N 0.268 122.968 122.820 -0.200 0.000 1.872 156 A HA -0.040 4.280 4.320 -0.000 0.000 0.214 156 A C 2.261 179.717 177.584 -0.213 0.000 1.187 156 A CA 0.639 52.565 52.037 -0.185 0.000 0.614 156 A CB -0.700 18.181 19.000 -0.198 0.000 0.826 156 A HN 0.191 nan 8.150 nan 0.000 0.442 157 L N 0.802 121.831 121.223 -0.323 0.000 2.127 157 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 157 L C 2.768 179.539 176.870 -0.166 0.000 1.089 157 L CA 1.586 56.155 54.840 -0.452 0.000 0.757 157 L CB -0.599 40.916 42.059 -0.907 0.000 0.899 157 L HN 0.607 nan 8.230 nan 0.000 0.434 158 S N -0.440 115.204 115.700 -0.094 0.000 2.555 158 S HA -0.043 4.426 4.470 -0.000 0.000 0.230 158 S C 1.716 176.322 174.600 0.011 0.000 0.978 158 S CA 0.666 58.874 58.200 0.014 0.000 0.934 158 S CB -0.283 62.912 63.200 -0.009 0.000 0.766 158 S HN 0.430 nan 8.310 nan 0.000 0.533 159 G N 0.661 109.444 108.800 -0.028 0.000 3.088 159 G HA2 0.354 4.314 3.960 -0.000 0.000 0.217 159 G HA3 0.354 4.314 3.960 -0.000 0.000 0.217 159 G C 0.311 175.212 174.900 0.001 0.000 1.159 159 G CA -0.478 44.611 45.100 -0.018 0.000 0.760 159 G HN 0.462 nan 8.290 nan 0.000 0.550 160 L N 0.655 121.892 121.223 0.023 0.000 2.426 160 L HA 0.375 4.714 4.340 -0.000 0.000 0.271 160 L C 0.340 177.264 176.870 0.090 0.000 1.169 160 L CA 0.171 55.047 54.840 0.060 0.000 0.836 160 L CB 1.062 43.194 42.059 0.121 0.000 1.112 160 L HN 0.036 nan 8.230 nan 0.000 0.465 161 K N 0.652 121.091 120.400 0.065 0.000 2.372 161 K HA 0.721 5.041 4.320 -0.000 0.000 0.251 161 K C 0.301 176.932 176.600 0.052 0.000 1.055 161 K CA -0.224 56.097 56.287 0.057 0.000 0.879 161 K CB 1.738 34.257 32.500 0.030 0.000 1.384 161 K HN 0.695 nan 8.250 nan 0.000 0.465 162 G N 1.559 110.384 108.800 0.042 0.000 2.556 162 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.283 162 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.283 162 G C 0.343 175.271 174.900 0.045 0.000 1.177 162 G CA 0.708 45.828 45.100 0.033 0.000 0.978 162 G HN 0.884 nan 8.290 nan 0.000 0.554 163 D N 0.971 121.390 120.400 0.033 0.000 2.363 163 D HA 0.074 4.714 4.640 -0.000 0.000 0.226 163 D C 2.225 178.565 176.300 0.067 0.000 1.020 163 D CA 0.870 54.894 54.000 0.040 0.000 0.892 163 D CB -0.044 40.767 40.800 0.017 0.000 0.900 163 D HN 0.486 nan 8.370 nan 0.000 0.531 164 L N 0.098 121.372 121.223 0.087 0.000 2.607 164 L HA 0.316 4.656 4.340 -0.000 0.000 0.228 164 L C 1.177 178.251 176.870 0.341 0.000 1.123 164 L CA -0.345 54.608 54.840 0.188 0.000 0.890 164 L CB 0.079 42.195 42.059 0.095 0.000 1.103 164 L HN -0.043 nan 8.230 nan 0.000 0.468 165 A N 0.268 123.219 122.820 0.217 0.000 2.462 165 A HA 0.542 4.862 4.320 -0.000 0.000 0.243 165 A C 0.535 178.229 177.584 0.183 0.000 1.076 165 A CA 0.696 52.871 52.037 0.230 0.000 0.773 165 A CB 0.224 19.300 19.000 0.126 0.000 1.010 165 A HN 0.304 nan 8.150 nan 0.000 0.493 166 G N 0.396 109.317 108.800 0.202 0.000 2.753 166 G HA2 0.618 4.578 3.960 -0.000 0.000 0.303 166 G HA3 0.618 4.578 3.960 -0.000 0.000 0.303 166 G C -0.937 173.856 174.900 -0.177 0.000 1.242 166 G CA -0.542 44.429 45.100 -0.214 0.000 0.810 166 G HN 0.941 nan 8.290 nan 0.000 0.515 167 R N -1.316 118.850 120.500 -0.557 0.000 2.725 167 R HA 0.604 4.944 4.340 -0.000 0.000 0.277 167 R C -2.088 174.006 176.300 -0.343 0.000 0.987 167 R CA -0.774 55.103 56.100 -0.371 0.000 0.901 167 R CB 2.131 32.154 30.300 -0.462 0.000 1.207 167 R HN 0.591 nan 8.270 nan 0.000 0.463 168 Y N 2.890 123.061 120.300 -0.215 0.000 2.409 168 Y HA 0.488 5.038 4.550 -0.000 0.000 0.339 168 Y C -1.755 174.002 175.900 -0.239 0.000 1.033 168 Y CA -0.726 57.377 58.100 0.005 0.000 1.094 168 Y CB 1.294 39.863 38.460 0.182 0.000 1.210 168 Y HN 0.518 nan 8.280 nan 0.000 0.456 169 Y N 4.300 124.166 120.300 -0.723 0.000 2.361 169 Y HA 0.543 5.093 4.550 -0.000 0.000 0.337 169 Y C -0.205 175.219 175.900 -0.794 0.000 0.965 169 Y CA -1.178 56.587 58.100 -0.558 0.000 1.091 169 Y CB 1.437 39.724 38.460 -0.290 0.000 1.182 169 Y HN 0.397 nan 8.280 nan 0.000 0.450 170 R N 3.451 123.745 120.500 -0.344 0.000 2.265 170 R HA 0.301 4.641 4.340 -0.000 0.000 0.314 170 R C 0.830 177.037 176.300 -0.155 0.000 1.053 170 R CA -0.292 55.679 56.100 -0.215 0.000 0.931 170 R CB 0.848 31.120 30.300 -0.046 0.000 1.024 170 R HN 0.864 nan 8.270 nan 0.000 0.457 171 L N 1.636 122.742 121.223 -0.195 0.000 2.127 171 L HA -0.235 4.104 4.340 -0.000 0.000 0.211 171 L C 2.287 179.080 176.870 -0.128 0.000 1.089 171 L CA 1.686 56.407 54.840 -0.199 0.000 0.757 171 L CB -0.536 41.355 42.059 -0.280 0.000 0.899 171 L HN 0.693 nan 8.230 nan 0.000 0.434 172 S N -0.188 115.444 115.700 -0.113 0.000 2.481 172 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 172 S C 1.220 175.795 174.600 -0.042 0.000 0.996 172 S CA 0.860 59.017 58.200 -0.071 0.000 0.942 172 S CB -0.216 62.945 63.200 -0.066 0.000 0.768 172 S HN 0.737 nan 8.310 nan 0.000 0.520 173 E N -0.123 120.054 120.200 -0.038 0.000 2.812 173 E HA 0.348 4.698 4.350 -0.000 0.000 0.211 173 E C -0.061 176.532 176.600 -0.011 0.000 0.986 173 E CA -0.476 55.913 56.400 -0.019 0.000 1.119 173 E CB -0.113 29.581 29.700 -0.010 0.000 1.046 173 E HN 0.454 nan 8.360 nan 0.000 0.474 174 M N 3.124 122.712 119.600 -0.021 0.000 2.219 174 M HA 0.100 4.580 4.480 -0.000 0.000 0.353 174 M C 0.288 176.585 176.300 -0.005 0.000 1.304 174 M CA 0.118 55.416 55.300 -0.003 0.000 1.115 174 M CB 0.939 33.512 32.600 -0.045 0.000 1.664 174 M HN 0.185 nan 8.290 nan 0.000 0.459 175 T N 0.730 115.291 114.554 0.013 0.000 2.849 175 T HA 0.246 4.596 4.350 -0.000 0.000 0.284 175 T C 0.735 175.429 174.700 -0.009 0.000 1.004 175 T CA -0.566 61.536 62.100 0.004 0.000 1.021 175 T CB 0.875 69.751 68.868 0.014 0.000 1.013 175 T HN 0.799 nan 8.240 nan 0.000 0.527 176 E N 0.534 120.727 120.200 -0.012 0.000 2.153 176 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 176 E C 2.385 178.971 176.600 -0.024 0.000 0.988 176 E CA 1.081 57.468 56.400 -0.021 0.000 0.811 176 E CB -0.353 29.337 29.700 -0.016 0.000 0.746 176 E HN 0.783 nan 8.360 nan 0.000 0.466 177 A N 1.657 124.469 122.820 -0.013 0.000 1.858 177 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 177 A C 1.955 179.528 177.584 -0.019 0.000 1.190 177 A CA 1.511 53.541 52.037 -0.012 0.000 0.617 177 A CB -0.433 18.569 19.000 0.002 0.000 0.827 177 A HN 0.159 nan 8.150 nan 0.000 0.443 178 E N -0.666 119.534 120.200 -0.001 0.000 2.077 178 E HA -0.276 4.073 4.350 -0.000 0.000 0.193 178 E C 2.265 178.803 176.600 -0.103 0.000 0.989 178 E CA 1.341 57.733 56.400 -0.012 0.000 0.800 178 E CB -0.235 29.512 29.700 0.079 0.000 0.746 178 E HN 0.809 nan 8.360 nan 0.000 0.452 179 Q N 0.917 120.665 119.800 -0.086 0.000 2.061 179 Q HA -0.297 4.042 4.340 -0.000 0.000 0.204 179 Q C 2.270 178.206 176.000 -0.107 0.000 0.984 179 Q CA 1.814 57.552 55.803 -0.109 0.000 0.846 179 Q CB 0.007 28.698 28.738 -0.078 0.000 0.902 179 Q HN 0.076 nan 8.270 nan 0.000 0.421 180 Q N 0.161 119.911 119.800 -0.084 0.000 2.119 180 Q HA -0.214 4.126 4.340 -0.000 0.000 0.201 180 Q C 1.853 177.786 176.000 -0.111 0.000 0.972 180 Q CA 1.938 57.690 55.803 -0.084 0.000 0.847 180 Q CB -0.177 28.523 28.738 -0.063 0.000 0.903 180 Q HN 0.373 nan 8.270 nan 0.000 0.433 181 Q N -0.126 119.608 119.800 -0.111 0.000 2.050 181 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 181 Q C 1.864 177.748 176.000 -0.193 0.000 0.980 181 Q CA 1.701 57.425 55.803 -0.133 0.000 0.840 181 Q CB -0.378 28.307 28.738 -0.088 0.000 0.898 181 Q HN 0.548 nan 8.270 nan 0.000 0.424 182 L N -0.307 120.802 121.223 -0.189 0.000 2.131 182 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 182 L C 2.295 179.075 176.870 -0.150 0.000 1.092 182 L CA 0.875 55.613 54.840 -0.170 0.000 0.759 182 L CB -0.393 41.559 42.059 -0.178 0.000 0.903 182 L HN 0.282 nan 8.230 nan 0.000 0.435 183 I N -0.412 120.070 120.570 -0.146 0.000 2.315 183 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 183 I C 1.955 177.907 176.117 -0.275 0.000 1.117 183 I CA 0.987 62.210 61.300 -0.128 0.000 1.404 183 I CB -0.356 37.590 38.000 -0.090 0.000 1.071 183 I HN 0.254 nan 8.210 nan 0.000 0.419 184 D N 0.876 121.092 120.400 -0.306 0.000 2.144 184 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 184 D C 1.585 177.520 176.300 -0.610 0.000 0.978 184 D CA 1.173 54.930 54.000 -0.405 0.000 0.833 184 D CB -0.276 40.367 40.800 -0.261 0.000 0.961 184 D HN 0.316 nan 8.370 nan 0.000 0.470 185 D N -0.109 119.940 120.400 -0.584 0.000 2.347 185 D HA -0.078 4.561 4.640 -0.000 0.000 0.215 185 D C 0.088 175.988 176.300 -0.667 0.000 0.976 185 D CA 0.462 53.976 54.000 -0.808 0.000 0.884 185 D CB 0.105 40.109 40.800 -1.326 0.000 0.915 185 D HN 0.331 nan 8.370 nan 0.000 0.526 186 H N -1.204 117.741 119.070 -0.209 0.000 2.880 186 H HA -0.168 4.388 4.556 -0.000 0.000 0.304 186 H C 0.262 175.835 175.328 0.409 0.000 1.259 186 H CA 0.285 56.376 56.048 0.073 0.000 1.153 186 H CB -1.912 27.900 29.762 0.084 0.000 1.395 186 H HN 0.213 nan 8.280 nan 0.000 0.420 187 F N -0.750 119.331 119.950 0.218 0.000 2.727 187 F HA 0.202 4.729 4.527 -0.000 0.000 0.302 187 F C 1.355 177.400 175.800 0.408 0.000 1.107 187 F CA -0.381 57.823 58.000 0.341 0.000 1.277 187 F CB 0.237 39.347 39.000 0.182 0.000 1.079 187 F HN 0.077 nan 8.300 nan 0.000 0.594 188 L N 1.049 122.473 121.223 0.336 0.000 2.436 188 L HA 0.386 4.725 4.340 -0.000 0.000 0.265 188 L C -0.494 176.372 176.870 -0.007 0.000 1.168 188 L CA -0.382 54.468 54.840 0.018 0.000 0.815 188 L CB 0.491 42.507 42.059 -0.073 0.000 1.109 188 L HN 0.015 nan 8.230 nan 0.000 0.462 189 F N 0.160 119.940 119.950 -0.283 0.000 2.613 189 F HA 0.810 5.336 4.527 -0.000 0.000 0.314 189 F C -1.151 174.570 175.800 -0.132 0.000 1.075 189 F CA -1.243 56.536 58.000 -0.369 0.000 0.945 189 F CB 0.908 39.296 39.000 -1.020 0.000 1.310 189 F HN 0.518 nan 8.300 nan 0.000 0.467 190 D N -0.676 119.812 120.400 0.147 0.000 2.687 190 D HA 0.295 4.935 4.640 -0.000 0.000 0.264 190 D C -1.377 174.829 176.300 -0.157 0.000 1.091 190 D CA -1.255 52.796 54.000 0.085 0.000 1.123 190 D CB 0.627 41.408 40.800 -0.031 0.000 1.407 190 D HN 0.761 nan 8.370 nan 0.000 0.591 191 K N 0.226 120.235 120.400 -0.651 0.000 2.504 191 K HA 0.077 4.397 4.320 -0.000 0.000 0.278 191 K C -2.188 173.979 176.600 -0.722 0.000 1.025 191 K CA -0.781 54.624 56.287 -1.470 0.000 1.093 191 K CB -0.121 31.709 32.500 -1.117 0.000 0.873 191 K HN 0.162 nan 8.250 nan 0.000 0.483 192 P HA -0.100 nan 4.420 nan 0.000 0.268 192 P C 0.164 177.333 177.300 -0.218 0.000 1.205 192 P CA -0.225 62.700 63.100 -0.291 0.000 0.771 192 P CB 0.859 32.442 31.700 -0.195 0.000 0.858 193 V N -0.212 119.623 119.914 -0.133 0.000 3.572 193 V HA 0.123 4.243 4.120 -0.000 0.000 0.260 193 V C 0.907 176.964 176.094 -0.062 0.000 1.324 193 V CA 0.283 62.523 62.300 -0.098 0.000 1.068 193 V CB -0.363 31.411 31.823 -0.082 0.000 0.837 193 V HN 0.495 nan 8.190 nan 0.000 0.450 194 S N 3.780 119.452 115.700 -0.047 0.000 2.596 194 S HA 0.138 4.608 4.470 -0.000 0.000 0.298 194 S C -0.475 174.111 174.600 -0.024 0.000 1.255 194 S CA -0.132 58.052 58.200 -0.027 0.000 1.083 194 S CB 0.820 64.013 63.200 -0.012 0.000 0.837 194 S HN 0.532 nan 8.310 nan 0.000 0.499 195 P HA -0.069 nan 4.420 nan 0.000 0.226 195 P C 1.360 178.658 177.300 -0.002 0.000 1.153 195 P CA 0.769 63.860 63.100 -0.015 0.000 0.777 195 P CB 0.017 31.705 31.700 -0.021 0.000 0.794 196 L N -1.662 119.562 121.223 0.002 0.000 2.201 196 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 196 L C 2.253 179.139 176.870 0.028 0.000 1.105 196 L CA 0.940 55.790 54.840 0.016 0.000 0.775 196 L CB -0.764 41.307 42.059 0.019 0.000 0.913 196 L HN 0.007 nan 8.230 nan 0.000 0.440 197 L N -0.587 120.647 121.223 0.019 0.000 2.221 197 L HA -0.035 4.304 4.340 -0.000 0.000 0.202 197 L C 2.830 179.718 176.870 0.030 0.000 1.074 197 L CA 1.915 56.772 54.840 0.028 0.000 0.795 197 L CB -1.120 40.946 42.059 0.013 0.000 0.960 197 L HN 0.316 nan 8.230 nan 0.000 0.458 198 T N -3.207 111.352 114.554 0.010 0.000 2.867 198 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 198 T C 1.858 176.578 174.700 0.033 0.000 1.057 198 T CA 0.936 63.044 62.100 0.013 0.000 1.136 198 T CB -0.422 68.439 68.868 -0.011 0.000 0.874 198 T HN 0.163 nan 8.240 nan 0.000 0.466 199 A N 1.383 124.221 122.820 0.029 0.000 2.067 199 A HA 0.550 4.870 4.320 -0.000 0.000 0.219 199 A C 2.447 180.068 177.584 0.061 0.000 1.158 199 A CA 1.127 53.185 52.037 0.035 0.000 0.661 199 A CB -0.891 18.123 19.000 0.023 0.000 0.801 199 A HN 0.758 nan 8.150 nan 0.000 0.452 200 A N -1.485 121.382 122.820 0.078 0.000 2.307 200 A HA 0.440 4.760 4.320 -0.000 0.000 0.218 200 A C 1.625 179.298 177.584 0.150 0.000 1.228 200 A CA 0.933 53.045 52.037 0.124 0.000 0.857 200 A CB -1.012 18.059 19.000 0.118 0.000 0.897 200 A HN 1.760 nan 8.150 nan 0.000 0.495 201 G N -0.721 108.150 108.800 0.119 0.000 2.179 201 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 201 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 201 G C 0.633 175.606 174.900 0.122 0.000 1.010 201 G CA 0.650 45.826 45.100 0.126 0.000 0.736 201 G HN 0.453 nan 8.290 nan 0.000 0.513 202 M N -0.274 119.391 119.600 0.108 0.000 2.628 202 M HA 0.334 4.814 4.480 -0.000 0.000 0.232 202 M C 2.018 178.420 176.300 0.170 0.000 1.128 202 M CA 1.109 56.482 55.300 0.122 0.000 1.040 202 M CB 0.367 33.025 32.600 0.097 0.000 1.608 202 M HN 0.524 nan 8.290 nan 0.000 0.507 203 A N 0.032 122.943 122.820 0.150 0.000 2.508 203 A HA 0.284 4.603 4.320 -0.000 0.000 0.257 203 A C 0.475 178.215 177.584 0.260 0.000 1.226 203 A CA -0.448 51.708 52.037 0.199 0.000 0.947 203 A CB 0.181 19.188 19.000 0.010 0.000 1.079 203 A HN 0.282 nan 8.150 nan 0.000 0.531 204 R N 1.377 121.998 120.500 0.201 0.000 2.698 204 R HA 0.178 4.518 4.340 -0.000 0.000 0.266 204 R C -0.142 176.272 176.300 0.190 0.000 1.026 204 R CA 0.680 56.881 56.100 0.168 0.000 1.102 204 R CB 0.054 30.432 30.300 0.130 0.000 0.978 204 R HN 0.369 nan 8.270 nan 0.000 0.436 205 D N -0.495 119.997 120.400 0.153 0.000 3.070 205 D HA -0.262 4.378 4.640 -0.000 0.000 0.220 205 D C -0.489 175.891 176.300 0.134 0.000 1.176 205 D CA 0.898 54.969 54.000 0.118 0.000 0.924 205 D CB -0.780 40.062 40.800 0.069 0.000 1.124 205 D HN 0.558 nan 8.370 nan 0.000 0.411 206 W N 2.514 123.836 121.300 0.037 0.000 2.257 206 W HA 0.060 4.720 4.660 -0.000 0.000 0.337 206 W C -1.334 175.200 176.519 0.025 0.000 1.321 206 W CA -0.198 57.170 57.345 0.038 0.000 1.267 206 W CB 0.293 29.776 29.460 0.038 0.000 1.187 206 W HN 0.012 nan 8.180 nan 0.000 0.565 207 P HA -0.005 nan 4.420 nan 0.000 0.259 207 P C -0.070 176.934 177.300 -0.493 0.000 1.530 207 P CA -0.038 62.543 63.100 -0.866 0.000 1.022 207 P CB -0.057 31.293 31.700 -0.585 0.000 1.514 208 D N 1.730 121.983 120.400 -0.245 0.000 2.586 208 D HA 0.009 4.649 4.640 -0.000 0.000 0.234 208 D C 0.977 177.181 176.300 -0.159 0.000 1.132 208 D CA 1.294 55.207 54.000 -0.144 0.000 0.860 208 D CB 0.505 41.267 40.800 -0.063 0.000 1.159 208 D HN 0.243 nan 8.370 nan 0.000 0.490 209 A N 3.409 126.164 122.820 -0.109 0.000 2.945 209 A HA -0.241 4.079 4.320 -0.000 0.000 0.263 209 A C 0.304 177.853 177.584 -0.059 0.000 1.293 209 A CA 1.055 53.054 52.037 -0.064 0.000 0.944 209 A CB -1.006 17.961 19.000 -0.054 0.000 1.093 209 A HN 0.623 nan 8.150 nan 0.000 0.786 210 R N -0.357 120.051 120.500 -0.152 0.000 2.486 210 R HA 0.733 5.073 4.340 -0.000 0.000 0.286 210 R C 0.477 176.792 176.300 0.024 0.000 0.999 210 R CA 0.237 56.289 56.100 -0.080 0.000 0.993 210 R CB 1.127 31.248 30.300 -0.298 0.000 1.084 210 R HN 1.135 nan 8.270 nan 0.000 0.487 211 G N 0.607 109.532 108.800 0.208 0.000 2.608 211 G HA2 0.627 4.587 3.960 -0.000 0.000 0.291 211 G HA3 0.627 4.587 3.960 -0.000 0.000 0.291 211 G C -1.325 173.722 174.900 0.245 0.000 1.425 211 G CA -0.702 44.443 45.100 0.074 0.000 0.787 211 G HN 0.365 nan 8.290 nan 0.000 0.484 212 I N -0.272 120.324 120.570 0.043 0.000 2.545 212 I HA 0.550 4.720 4.170 -0.000 0.000 0.292 212 I C -1.397 174.988 176.117 0.446 0.000 1.040 212 I CA -0.555 60.947 61.300 0.337 0.000 1.068 212 I CB 2.672 40.787 38.000 0.192 0.000 1.251 212 I HN 0.655 nan 8.210 nan 0.000 0.424 213 W N 6.967 128.479 121.300 0.353 0.000 2.883 213 W HA 0.604 5.264 4.660 -0.000 0.000 0.335 213 W C -1.342 175.285 176.519 0.180 0.000 1.083 213 W CA -0.220 57.292 57.345 0.279 0.000 1.233 213 W CB 1.218 30.864 29.460 0.311 0.000 1.412 213 W HN 0.630 nan 8.180 nan 0.000 0.490 214 H N 2.048 120.702 119.070 -0.694 0.000 3.012 214 H HA 0.506 5.062 4.556 -0.000 0.000 0.367 214 H C -0.461 174.161 175.328 -1.177 0.000 1.211 214 H CA -1.232 54.350 56.048 -0.777 0.000 1.139 214 H CB 0.663 30.232 29.762 -0.321 0.000 1.838 214 H HN 0.428 nan 8.280 nan 0.000 0.550 215 N N 1.276 119.643 118.700 -0.555 0.000 2.354 215 N HA -0.010 4.730 4.740 -0.000 0.000 0.246 215 N C 0.200 175.752 175.510 0.071 0.000 1.285 215 N CA -0.339 52.557 53.050 -0.257 0.000 0.925 215 N CB 0.321 38.862 38.487 0.089 0.000 1.174 215 N HN 0.743 nan 8.380 nan 0.000 0.478 216 N N 0.215 118.949 118.700 0.057 0.000 2.166 216 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 216 N C 0.874 176.455 175.510 0.118 0.000 1.019 216 N CA 1.431 54.546 53.050 0.109 0.000 0.856 216 N CB -0.226 38.301 38.487 0.067 0.000 0.993 216 N HN 0.853 nan 8.380 nan 0.000 0.426 217 E N 1.292 121.551 120.200 0.099 0.000 2.494 217 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 217 E C -0.419 176.242 176.600 0.102 0.000 1.074 217 E CA 0.025 56.477 56.400 0.086 0.000 0.867 217 E CB -0.199 29.545 29.700 0.073 0.000 0.924 217 E HN 0.095 nan 8.360 nan 0.000 0.502 218 K N 0.568 121.047 120.400 0.132 0.000 3.150 218 K HA -0.170 4.150 4.320 -0.000 0.000 0.267 218 K C 0.254 176.992 176.600 0.229 0.000 1.028 218 K CA 0.740 57.136 56.287 0.182 0.000 0.753 218 K CB -2.063 30.519 32.500 0.135 0.000 1.288 218 K HN 0.465 nan 8.250 nan 0.000 0.473 219 S N -0.963 114.852 115.700 0.192 0.000 2.666 219 S HA 0.263 4.733 4.470 -0.000 0.000 0.239 219 S C -0.230 174.545 174.600 0.293 0.000 1.031 219 S CA -0.558 57.763 58.200 0.201 0.000 1.015 219 S CB 0.316 63.608 63.200 0.154 0.000 0.981 219 S HN 0.271 nan 8.310 nan 0.000 0.547 220 F N 1.757 121.741 119.950 0.056 0.000 2.579 220 F HA 0.650 5.177 4.527 -0.000 0.000 0.325 220 F C -1.194 174.647 175.800 0.067 0.000 1.162 220 F CA -1.579 56.486 58.000 0.108 0.000 0.946 220 F CB 1.611 40.744 39.000 0.222 0.000 1.211 220 F HN 0.100 nan 8.300 nan 0.000 0.447 221 L N 6.993 128.056 121.223 -0.267 0.000 2.346 221 L HA 0.665 5.005 4.340 -0.000 0.000 0.276 221 L C -1.288 175.413 176.870 -0.281 0.000 1.006 221 L CA -0.740 53.911 54.840 -0.316 0.000 0.817 221 L CB 1.996 43.710 42.059 -0.576 0.000 1.272 221 L HN 0.551 nan 8.230 nan 0.000 0.421 222 I N 2.966 123.570 120.570 0.058 0.000 2.478 222 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 222 I C -1.337 175.015 176.117 0.391 0.000 1.042 222 I CA -0.521 60.823 61.300 0.074 0.000 1.067 222 I CB 2.063 40.092 38.000 0.048 0.000 1.233 222 I HN 0.481 nan 8.210 nan 0.000 0.431 223 W N 6.093 127.445 121.300 0.087 0.000 2.391 223 W HA 0.498 5.158 4.660 0.000 0.000 0.311 223 W C -0.500 176.068 176.519 0.083 0.000 1.087 223 W CA -0.980 56.451 57.345 0.143 0.000 1.209 223 W CB 1.416 30.852 29.460 -0.040 0.000 1.273 223 W HN -0.010 nan 8.180 nan 0.000 0.482 224 V N 5.452 125.597 119.914 0.386 0.000 2.370 224 V HA 0.190 4.310 4.120 -0.000 0.000 0.279 224 V C 0.327 176.510 176.094 0.148 0.000 1.029 224 V CA -0.914 61.525 62.300 0.232 0.000 0.870 224 V CB 1.006 32.986 31.823 0.262 0.000 0.984 224 V HN 0.659 nan 8.190 nan 0.000 0.451 225 N N 2.691 121.445 118.700 0.091 0.000 2.747 225 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 225 N C 0.888 176.423 175.510 0.040 0.000 1.107 225 N CA 1.392 54.482 53.050 0.067 0.000 0.707 225 N CB -0.381 38.123 38.487 0.029 0.000 1.054 225 N HN 0.924 nan 8.380 nan 0.000 0.555 226 E N 1.122 121.298 120.200 -0.040 0.000 2.797 226 E HA -0.012 4.338 4.350 -0.000 0.000 0.315 226 E C 0.979 177.604 176.600 0.041 0.000 0.666 226 E CA 0.527 56.863 56.400 -0.106 0.000 1.587 226 E CB 0.086 29.427 29.700 -0.598 0.000 1.775 226 E HN 0.538 nan 8.360 nan 0.000 0.522 227 E N 0.253 120.465 120.200 0.019 0.000 2.419 227 E HA 0.182 4.532 4.350 -0.000 0.000 0.190 227 E C -0.447 176.175 176.600 0.036 0.000 1.040 227 E CA -0.071 56.359 56.400 0.049 0.000 0.900 227 E CB 0.569 30.300 29.700 0.052 0.000 1.054 227 E HN 0.040 nan 8.360 nan 0.000 0.462 228 D N -0.969 119.452 120.400 0.034 0.000 2.710 228 D HA 0.103 4.743 4.640 -0.000 0.000 0.276 228 D C 0.107 176.453 176.300 0.076 0.000 1.267 228 D CA -0.646 53.353 54.000 -0.002 0.000 0.772 228 D CB 0.629 41.416 40.800 -0.022 0.000 1.299 228 D HN 0.035 nan 8.370 nan 0.000 0.421 229 H N -0.383 118.683 119.070 -0.007 0.000 2.319 229 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 229 H C 0.717 176.038 175.328 -0.012 0.000 1.092 229 H CA 1.599 57.638 56.048 -0.014 0.000 1.302 229 H CB 0.385 30.136 29.762 -0.018 0.000 1.373 229 H HN 0.326 nan 8.280 nan 0.000 0.497 230 T N -1.237 113.380 114.554 0.104 0.000 2.933 230 T HA 0.513 4.863 4.350 -0.000 0.000 0.305 230 T C -0.820 173.876 174.700 -0.007 0.000 1.092 230 T CA -1.281 60.844 62.100 0.041 0.000 1.008 230 T CB 3.033 71.890 68.868 -0.017 0.000 1.102 230 T HN 0.005 nan 8.240 nan 0.000 0.469 231 R N 1.985 122.492 120.500 0.012 0.000 2.439 231 R HA 0.625 4.965 4.340 -0.000 0.000 0.310 231 R C -1.129 175.080 176.300 -0.150 0.000 0.955 231 R CA -0.753 55.313 56.100 -0.056 0.000 0.853 231 R CB 1.837 32.128 30.300 -0.015 0.000 1.171 231 R HN 0.650 nan 8.270 nan 0.000 0.449 232 V N 5.637 125.450 119.914 -0.168 0.000 2.398 232 V HA 0.548 4.668 4.120 -0.000 0.000 0.286 232 V C 0.325 176.339 176.094 -0.133 0.000 1.026 232 V CA -0.586 61.571 62.300 -0.239 0.000 0.868 232 V CB 1.646 33.317 31.823 -0.253 0.000 0.982 232 V HN 0.556 nan 8.190 nan 0.000 0.443 233 I N 3.337 123.754 120.570 -0.255 0.000 2.533 233 I HA 0.487 4.657 4.170 -0.000 0.000 0.290 233 I C -0.265 175.878 176.117 0.043 0.000 1.056 233 I CA -0.321 60.918 61.300 -0.102 0.000 1.057 233 I CB 2.292 40.128 38.000 -0.274 0.000 1.240 233 I HN 0.556 nan 8.210 nan 0.000 0.423 234 S N 7.879 123.730 115.700 0.253 0.000 2.478 234 S HA 0.850 5.319 4.470 -0.000 0.000 0.312 234 S C -0.609 174.091 174.600 0.167 0.000 1.094 234 S CA -0.642 57.773 58.200 0.358 0.000 1.081 234 S CB 0.692 64.196 63.200 0.507 0.000 1.007 234 S HN 0.623 nan 8.310 nan 0.000 0.475 235 M N 2.760 122.449 119.600 0.148 0.000 2.575 235 M HA 0.727 5.207 4.480 -0.000 0.000 0.284 235 M C -1.498 174.861 176.300 0.099 0.000 1.253 235 M CA -0.688 54.668 55.300 0.092 0.000 0.861 235 M CB 2.120 34.765 32.600 0.075 0.000 1.733 235 M HN 0.527 nan 8.290 nan 0.000 0.462 236 E N 0.694 120.935 120.200 0.068 0.000 2.388 236 E HA 0.392 4.742 4.350 -0.000 0.000 0.280 236 E C -1.787 174.842 176.600 0.049 0.000 1.019 236 E CA -0.882 55.555 56.400 0.061 0.000 0.806 236 E CB 3.298 33.023 29.700 0.041 0.000 1.246 236 E HN 0.637 nan 8.360 nan 0.000 0.443 237 K N 0.709 121.141 120.400 0.053 0.000 2.185 237 K HA 0.604 4.924 4.320 -0.000 0.000 0.271 237 K C 0.250 176.887 176.600 0.061 0.000 1.013 237 K CA 0.585 56.905 56.287 0.056 0.000 0.943 237 K CB 1.222 33.756 32.500 0.056 0.000 0.998 237 K HN 0.747 nan 8.250 nan 0.000 0.468 238 G N 0.385 109.233 108.800 0.080 0.000 2.500 238 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.209 238 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.209 238 G C 0.067 175.043 174.900 0.127 0.000 1.283 238 G CA -0.485 44.678 45.100 0.105 0.000 0.960 238 G HN 0.730 nan 8.290 nan 0.000 0.528 239 G N -0.682 108.199 108.800 0.135 0.000 4.100 239 G HA2 0.417 4.377 3.960 -0.000 0.000 0.294 239 G HA3 0.417 4.377 3.960 -0.000 0.000 0.294 239 G C 0.255 175.069 174.900 -0.142 0.000 1.040 239 G CA 0.624 45.851 45.100 0.211 0.000 0.829 239 G HN 0.777 nan 8.290 nan 0.000 0.505 240 N N 1.124 119.595 118.700 -0.382 0.000 3.245 240 N HA 0.120 4.860 4.740 -0.000 0.000 0.296 240 N C 1.880 177.202 175.510 -0.314 0.000 1.254 240 N CA -0.521 52.133 53.050 -0.661 0.000 1.190 240 N CB 0.217 38.299 38.487 -0.676 0.000 1.460 240 N HN 0.148 nan 8.380 nan 0.000 0.538 241 M N 1.783 121.208 119.600 -0.292 0.000 2.144 241 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 241 M C 1.986 178.229 176.300 -0.094 0.000 1.067 241 M CA 1.809 57.020 55.300 -0.149 0.000 1.095 241 M CB -0.205 32.271 32.600 -0.207 0.000 1.365 241 M HN 0.274 nan 8.290 nan 0.000 0.406 242 K N -0.702 119.607 120.400 -0.151 0.000 2.063 242 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 242 K C 2.353 178.969 176.600 0.027 0.000 1.048 242 K CA 1.820 58.092 56.287 -0.026 0.000 0.928 242 K CB -0.257 32.214 32.500 -0.048 0.000 0.713 242 K HN 0.422 nan 8.250 nan 0.000 0.442 243 R N 0.198 120.672 120.500 -0.044 0.000 2.092 243 R HA -0.070 4.269 4.340 -0.000 0.000 0.231 243 R C 2.054 178.372 176.300 0.030 0.000 1.119 243 R CA 1.020 57.111 56.100 -0.015 0.000 0.970 243 R CB -0.037 30.232 30.300 -0.051 0.000 0.864 243 R HN 0.052 nan 8.270 nan 0.000 0.440 244 V N 0.730 120.668 119.914 0.041 0.000 2.343 244 V HA -0.239 3.880 4.120 -0.000 0.000 0.247 244 V C 1.988 178.198 176.094 0.193 0.000 1.051 244 V CA 1.783 64.141 62.300 0.098 0.000 1.036 244 V CB -0.611 31.256 31.823 0.072 0.000 0.654 244 V HN 0.319 nan 8.190 nan 0.000 0.451 245 F N 1.053 121.009 119.950 0.011 0.000 2.259 245 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 245 F C 2.306 178.185 175.800 0.131 0.000 1.088 245 F CA 1.515 59.547 58.000 0.054 0.000 1.358 245 F CB -0.228 38.770 39.000 -0.003 0.000 1.040 245 F HN 0.261 nan 8.300 nan 0.000 0.505 246 E N -0.265 119.949 120.200 0.024 0.000 2.072 246 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 246 E C 2.299 178.839 176.600 -0.100 0.000 0.985 246 E CA 1.014 57.360 56.400 -0.090 0.000 0.801 246 E CB -0.260 29.421 29.700 -0.031 0.000 0.750 246 E HN 0.341 nan 8.360 nan 0.000 0.452 247 R N 0.317 120.793 120.500 -0.040 0.000 2.092 247 R HA -0.154 4.186 4.340 -0.000 0.000 0.231 247 R C 2.184 178.405 176.300 -0.133 0.000 1.119 247 R CA 1.042 57.075 56.100 -0.112 0.000 0.970 247 R CB -0.274 29.985 30.300 -0.067 0.000 0.864 247 R HN 0.137 nan 8.270 nan 0.000 0.440 248 F N 0.668 120.555 119.950 -0.106 0.000 2.069 248 F HA -0.301 4.225 4.527 -0.000 0.000 0.298 248 F C 2.148 177.884 175.800 -0.106 0.000 1.113 248 F CA 1.783 59.796 58.000 0.022 0.000 1.214 248 F CB -0.612 38.448 39.000 0.099 0.000 0.978 248 F HN 0.069 nan 8.300 nan 0.000 0.474 249 C N 0.464 119.661 119.300 -0.171 0.000 2.440 249 C HA -0.104 4.356 4.460 -0.000 0.000 0.278 249 C C 2.838 177.688 174.990 -0.234 0.000 1.295 249 C CA 1.205 60.049 59.018 -0.291 0.000 1.738 249 C CB -1.339 26.175 27.740 -0.378 0.000 1.987 249 C HN 0.503 nan 8.230 nan 0.000 0.492 250 R N 0.772 121.143 120.500 -0.216 0.000 2.075 250 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 250 R C 2.340 178.511 176.300 -0.214 0.000 1.126 250 R CA 1.746 57.733 56.100 -0.189 0.000 0.963 250 R CB -0.636 29.559 30.300 -0.176 0.000 0.858 250 R HN 0.570 nan 8.270 nan 0.000 0.435 251 G N 0.712 109.312 108.800 -0.334 0.000 2.418 251 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 251 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 251 G C 1.426 176.290 174.900 -0.061 0.000 1.158 251 G CA 0.475 45.378 45.100 -0.328 0.000 0.771 251 G HN 0.216 nan 8.290 nan 0.000 0.545 252 L N -0.169 120.986 121.223 -0.113 0.000 2.046 252 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 252 L C 2.982 179.830 176.870 -0.036 0.000 1.077 252 L CA 1.239 56.016 54.840 -0.104 0.000 0.747 252 L CB -0.219 41.656 42.059 -0.307 0.000 0.896 252 L HN 0.189 nan 8.230 nan 0.000 0.432 253 K N -0.618 119.736 120.400 -0.077 0.000 2.097 253 K HA -0.200 4.120 4.320 -0.000 0.000 0.205 253 K C 2.035 178.599 176.600 -0.059 0.000 1.050 253 K CA 1.008 57.262 56.287 -0.055 0.000 0.938 253 K CB 0.005 32.463 32.500 -0.070 0.000 0.718 253 K HN 0.057 nan 8.250 nan 0.000 0.442 254 E N 0.837 120.996 120.200 -0.068 0.000 2.072 254 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 254 E C 1.831 178.391 176.600 -0.067 0.000 0.985 254 E CA 0.820 57.180 56.400 -0.066 0.000 0.801 254 E CB -0.096 29.562 29.700 -0.070 0.000 0.750 254 E HN -0.036 nan 8.360 nan 0.000 0.452 255 V N 0.815 120.701 119.914 -0.048 0.000 2.343 255 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 255 V C 2.416 178.448 176.094 -0.103 0.000 1.051 255 V CA 2.145 64.410 62.300 -0.058 0.000 1.036 255 V CB -0.480 31.343 31.823 -0.000 0.000 0.654 255 V HN 0.380 nan 8.190 nan 0.000 0.451 256 E N 0.037 120.176 120.200 -0.103 0.000 2.106 256 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 256 E C 2.496 178.952 176.600 -0.240 0.000 0.984 256 E CA 0.987 57.191 56.400 -0.326 0.000 0.806 256 E CB -0.109 29.459 29.700 -0.221 0.000 0.750 256 E HN 0.361 nan 8.360 nan 0.000 0.458 257 R N 0.410 120.826 120.500 -0.140 0.000 2.073 257 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 257 R C 2.485 178.723 176.300 -0.103 0.000 1.134 257 R CA 1.247 57.282 56.100 -0.108 0.000 0.952 257 R CB -0.382 29.871 30.300 -0.079 0.000 0.850 257 R HN 0.310 nan 8.270 nan 0.000 0.433 258 L N 0.902 122.063 121.223 -0.103 0.000 2.083 258 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 258 L C 2.447 179.264 176.870 -0.089 0.000 1.083 258 L CA 1.119 55.905 54.840 -0.090 0.000 0.752 258 L CB -0.397 41.604 42.059 -0.096 0.000 0.899 258 L HN 0.311 nan 8.230 nan 0.000 0.433 259 I N -3.563 116.930 120.570 -0.128 0.000 2.716 259 I HA -0.154 4.015 4.170 -0.000 0.000 0.259 259 I C 2.152 178.265 176.117 -0.006 0.000 1.172 259 I CA 0.900 62.150 61.300 -0.084 0.000 1.478 259 I CB -0.380 37.523 38.000 -0.163 0.000 1.104 259 I HN 0.233 nan 8.210 nan 0.000 0.439 260 Q N 1.324 121.075 119.800 -0.082 0.000 2.297 260 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 260 Q C 1.902 177.881 176.000 -0.034 0.000 0.962 260 Q CA 1.230 56.997 55.803 -0.060 0.000 0.879 260 Q CB -0.089 28.589 28.738 -0.100 0.000 0.947 260 Q HN 0.647 nan 8.270 nan 0.000 0.462 261 E N 0.509 120.691 120.200 -0.031 0.000 2.204 261 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 261 E C 1.174 177.775 176.600 0.001 0.000 0.989 261 E CA 0.576 56.963 56.400 -0.023 0.000 0.824 261 E CB 0.372 30.055 29.700 -0.028 0.000 0.756 261 E HN 0.085 nan 8.360 nan 0.000 0.477 262 R N -0.996 119.534 120.500 0.051 0.000 2.427 262 R HA 0.162 4.502 4.340 -0.000 0.000 0.262 262 R C 0.907 177.245 176.300 0.063 0.000 0.943 262 R CA 0.654 56.815 56.100 0.103 0.000 1.081 262 R CB 0.810 31.228 30.300 0.198 0.000 1.166 262 R HN 0.271 nan 8.270 nan 0.000 0.534 263 G N 0.260 109.046 108.800 -0.023 0.000 2.157 263 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.239 263 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.239 263 G C -0.451 174.271 174.900 -0.296 0.000 0.982 263 G CA -0.103 44.882 45.100 -0.192 0.000 0.650 263 G HN 0.265 nan 8.290 nan 0.000 0.527 264 W N 0.518 121.766 121.300 -0.086 0.000 2.509 264 W HA 0.769 5.429 4.660 -0.000 0.000 0.351 264 W C 0.569 177.014 176.519 -0.125 0.000 1.107 264 W CA -0.753 56.542 57.345 -0.084 0.000 1.264 264 W CB 0.931 30.339 29.460 -0.085 0.000 1.312 264 W HN 0.131 nan 8.180 nan 0.000 0.608 265 E N 0.360 120.666 120.200 0.177 0.000 2.392 265 E HA 0.451 4.801 4.350 -0.000 0.000 0.269 265 E C -1.390 175.309 176.600 0.166 0.000 0.924 265 E CA -1.142 55.287 56.400 0.049 0.000 0.784 265 E CB 1.848 31.597 29.700 0.083 0.000 1.292 265 E HN 0.012 nan 8.360 nan 0.000 0.447 266 F N 0.938 120.994 119.950 0.176 0.000 2.371 266 F HA 0.326 4.853 4.527 -0.000 0.000 0.329 266 F C 0.750 176.715 175.800 0.275 0.000 1.107 266 F CA -0.709 57.420 58.000 0.214 0.000 1.137 266 F CB 0.560 39.708 39.000 0.245 0.000 1.214 266 F HN 0.210 nan 8.300 nan 0.000 0.536 267 M N 2.433 122.316 119.600 0.473 0.000 2.184 267 M HA 0.135 4.614 4.480 -0.000 0.000 0.351 267 M C -1.100 175.448 176.300 0.413 0.000 1.395 267 M CA 0.482 55.985 55.300 0.339 0.000 1.117 267 M CB 0.399 33.125 32.600 0.211 0.000 1.708 267 M HN 0.706 nan 8.290 nan 0.000 0.468 268 W N 5.371 126.726 121.300 0.091 0.000 3.363 268 W HA 0.471 5.131 4.660 -0.000 0.000 0.306 268 W C -1.823 174.657 176.519 -0.065 0.000 1.253 268 W CA -0.535 56.779 57.345 -0.052 0.000 1.195 268 W CB 1.252 30.636 29.460 -0.127 0.000 1.366 268 W HN 0.719 nan 8.180 nan 0.000 0.551 269 N N 1.038 119.099 118.700 -1.066 0.000 2.591 269 N HA 0.224 4.964 4.740 -0.000 0.000 0.263 269 N C -0.044 174.496 175.510 -1.616 0.000 1.308 269 N CA -0.362 52.077 53.050 -1.019 0.000 0.837 269 N CB 1.402 39.640 38.487 -0.415 0.000 1.548 269 N HN 0.585 nan 8.380 nan 0.000 0.493 270 E N -0.091 119.494 120.200 -1.026 0.000 2.338 270 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 270 E C 1.096 177.520 176.600 -0.294 0.000 1.007 270 E CA 0.817 56.860 56.400 -0.596 0.000 0.849 270 E CB -0.132 29.483 29.700 -0.141 0.000 0.774 270 E HN 0.735 nan 8.360 nan 0.000 0.506 271 R N 0.662 121.000 120.500 -0.270 0.000 2.237 271 R HA 0.162 4.502 4.340 -0.000 0.000 0.195 271 R C 1.692 177.942 176.300 -0.084 0.000 0.956 271 R CA 0.390 56.440 56.100 -0.084 0.000 1.029 271 R CB -0.016 30.249 30.300 -0.058 0.000 0.972 271 R HN 0.188 nan 8.270 nan 0.000 0.493 272 L N 0.492 121.522 121.223 -0.321 0.000 2.858 272 L HA 0.377 4.717 4.340 -0.000 0.000 0.251 272 L C 0.838 177.354 176.870 -0.591 0.000 1.149 272 L CA 0.142 54.730 54.840 -0.420 0.000 0.955 272 L CB 0.733 42.516 42.059 -0.460 0.000 1.289 272 L HN 0.523 nan 8.230 nan 0.000 0.542 273 G N 0.210 108.589 108.800 -0.701 0.000 2.547 273 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.271 273 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.271 273 G C -0.492 174.010 174.900 -0.664 0.000 1.209 273 G CA -0.203 44.470 45.100 -0.713 0.000 0.959 273 G HN 0.043 nan 8.290 nan 0.000 0.563 274 Y N 0.479 120.728 120.300 -0.085 0.000 2.425 274 Y HA 0.524 5.074 4.550 -0.000 0.000 0.331 274 Y C 1.375 177.180 175.900 -0.158 0.000 1.157 274 Y CA -0.061 58.045 58.100 0.009 0.000 1.372 274 Y CB 0.553 39.041 38.460 0.047 0.000 1.253 274 Y HN 0.444 nan 8.280 nan 0.000 0.536 275 I N 5.368 125.958 120.570 0.033 0.000 2.331 275 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 275 I C -0.373 175.732 176.117 -0.020 0.000 0.998 275 I CA -0.098 61.146 61.300 -0.093 0.000 1.267 275 I CB 0.545 38.486 38.000 -0.097 0.000 1.386 275 I HN 0.408 nan 8.210 nan 0.000 0.476 276 L N 3.878 125.088 121.223 -0.022 0.000 2.277 276 L HA 0.361 4.701 4.340 -0.000 0.000 0.254 276 L C 1.303 178.221 176.870 0.080 0.000 1.044 276 L CA -0.539 54.300 54.840 -0.001 0.000 0.842 276 L CB 2.045 44.101 42.059 -0.005 0.000 1.422 276 L HN 0.575 nan 8.230 nan 0.000 0.422 277 T N -2.014 112.560 114.554 0.033 0.000 2.867 277 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 277 T C 0.567 175.357 174.700 0.149 0.000 1.057 277 T CA 0.588 62.726 62.100 0.062 0.000 1.136 277 T CB -0.058 68.803 68.868 -0.012 0.000 0.874 277 T HN 0.449 nan 8.240 nan 0.000 0.466 278 C N 2.528 121.917 119.300 0.148 0.000 2.295 278 C HA 0.610 5.070 4.460 -0.000 0.000 0.331 278 C C -1.287 173.848 174.990 0.241 0.000 1.280 278 C CA -2.085 57.042 59.018 0.182 0.000 1.746 278 C CB 1.113 28.927 27.740 0.123 0.000 2.328 278 C HN 0.343 nan 8.230 nan 0.000 0.521 279 P HA -0.149 nan 4.420 nan 0.000 0.220 279 P C 1.551 179.050 177.300 0.332 0.000 1.144 279 P CA 1.910 65.242 63.100 0.388 0.000 0.800 279 P CB 0.064 32.033 31.700 0.448 0.000 0.772 280 S N -2.010 113.827 115.700 0.227 0.000 2.481 280 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 280 S C 1.494 176.224 174.600 0.218 0.000 0.996 280 S CA 0.774 59.078 58.200 0.174 0.000 0.942 280 S CB -0.861 62.372 63.200 0.054 0.000 0.768 280 S HN 0.096 nan 8.310 nan 0.000 0.520 281 N N 0.984 119.772 118.700 0.147 0.000 2.251 281 N HA 0.304 5.044 4.740 -0.000 0.000 0.217 281 N C -0.438 175.074 175.510 0.003 0.000 1.124 281 N CA -0.130 52.968 53.050 0.080 0.000 0.843 281 N CB -0.026 38.495 38.487 0.056 0.000 1.024 281 N HN 0.283 nan 8.380 nan 0.000 0.501 282 L N -0.034 121.153 121.223 -0.060 0.000 2.468 282 L HA 0.263 4.603 4.340 -0.000 0.000 0.253 282 L C 1.906 178.552 176.870 -0.372 0.000 1.237 282 L CA 1.066 55.753 54.840 -0.256 0.000 0.823 282 L CB -0.584 41.249 42.059 -0.376 0.000 1.124 282 L HN 0.428 nan 8.230 nan 0.000 0.504 283 G N 0.272 108.748 108.800 -0.540 0.000 4.026 283 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.309 283 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.309 283 G C 0.821 175.478 174.900 -0.404 0.000 1.411 283 G CA 1.216 45.764 45.100 -0.919 0.000 1.037 283 G HN 0.934 nan 8.290 nan 0.000 0.687 284 T N -1.336 113.162 114.554 -0.094 0.000 2.990 284 T HA 0.460 4.810 4.350 -0.000 0.000 0.249 284 T C 2.582 177.369 174.700 0.144 0.000 1.039 284 T CA 1.632 63.852 62.100 0.200 0.000 1.036 284 T CB 0.383 69.397 68.868 0.244 0.000 0.994 284 T HN 2.598 nan 8.240 nan 0.000 0.489 285 G N 1.717 110.548 108.800 0.052 0.000 2.296 285 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.282 285 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.282 285 G C -0.088 174.850 174.900 0.064 0.000 1.014 285 G CA 0.653 45.781 45.100 0.045 0.000 0.812 285 G HN 0.801 nan 8.290 nan 0.000 0.508 286 L N -0.128 121.141 121.223 0.077 0.000 2.292 286 L HA 0.733 5.072 4.340 -0.000 0.000 0.284 286 L C 0.462 177.335 176.870 0.004 0.000 1.065 286 L CA -0.902 53.972 54.840 0.057 0.000 0.806 286 L CB 0.814 42.923 42.059 0.083 0.000 1.175 286 L HN 0.078 nan 8.230 nan 0.000 0.431 287 R N 4.730 125.213 120.500 -0.029 0.000 2.412 287 R HA 0.557 4.897 4.340 -0.000 0.000 0.304 287 R C -1.297 174.954 176.300 -0.082 0.000 1.066 287 R CA -0.526 55.550 56.100 -0.039 0.000 0.923 287 R CB 1.621 31.908 30.300 -0.020 0.000 1.156 287 R HN 0.727 nan 8.270 nan 0.000 0.513 288 A N 1.957 124.722 122.820 -0.091 0.000 2.276 288 A HA 0.817 5.137 4.320 -0.000 0.000 0.316 288 A C -0.141 177.414 177.584 -0.048 0.000 1.229 288 A CA -0.393 51.579 52.037 -0.109 0.000 0.851 288 A CB 1.516 20.421 19.000 -0.159 0.000 1.165 288 A HN 0.753 nan 8.150 nan 0.000 0.513 289 G N -0.170 108.615 108.800 -0.026 0.000 2.645 289 G HA2 0.746 4.706 3.960 -0.000 0.000 0.292 289 G HA3 0.746 4.706 3.960 -0.000 0.000 0.292 289 G C -0.943 173.969 174.900 0.019 0.000 1.415 289 G CA 0.151 45.254 45.100 0.004 0.000 0.785 289 G HN 1.901 nan 8.290 nan 0.000 0.483 290 V N -3.194 116.739 119.914 0.032 0.000 3.130 290 V HA 0.695 4.815 4.120 -0.000 0.000 0.310 290 V C -1.004 175.193 176.094 0.171 0.000 1.158 290 V CA -1.152 61.173 62.300 0.043 0.000 1.029 290 V CB 1.722 33.512 31.823 -0.055 0.000 1.057 290 V HN 0.880 nan 8.190 nan 0.000 0.436 291 H N 1.881 120.972 119.070 0.035 0.000 2.541 291 H HA 0.696 5.252 4.556 -0.000 0.000 0.316 291 H C -0.872 174.488 175.328 0.054 0.000 1.043 291 H CA -0.395 55.681 56.048 0.047 0.000 1.232 291 H CB 1.863 31.644 29.762 0.032 0.000 1.406 291 H HN 0.720 nan 8.280 nan 0.000 0.469 292 I N 4.060 124.737 120.570 0.179 0.000 2.608 292 I HA 0.262 4.431 4.170 -0.000 0.000 0.295 292 I C -1.022 175.199 176.117 0.172 0.000 1.049 292 I CA -1.021 60.369 61.300 0.150 0.000 1.063 292 I CB 1.741 39.800 38.000 0.100 0.000 1.248 292 I HN 0.539 nan 8.210 nan 0.000 0.424 293 K N 7.647 128.147 120.400 0.167 0.000 2.293 293 K HA 0.538 4.857 4.320 -0.000 0.000 0.267 293 K C -1.471 175.253 176.600 0.206 0.000 1.010 293 K CA -0.592 55.785 56.287 0.149 0.000 0.875 293 K CB 1.236 33.778 32.500 0.070 0.000 1.106 293 K HN 0.527 nan 8.250 nan 0.000 0.450 294 L N 4.551 125.876 121.223 0.169 0.000 2.529 294 L HA 0.246 4.586 4.340 -0.000 0.000 0.246 294 L C -1.737 175.145 176.870 0.020 0.000 1.394 294 L CA -1.639 53.239 54.840 0.063 0.000 0.906 294 L CB 1.254 43.264 42.059 -0.080 0.000 1.170 294 L HN 0.518 nan 8.230 nan 0.000 0.501 295 P HA -0.173 nan 4.420 nan 0.000 0.215 295 P C 1.460 178.744 177.300 -0.026 0.000 1.153 295 P CA 1.348 64.459 63.100 0.017 0.000 0.853 295 P CB 0.690 32.401 31.700 0.019 0.000 0.788 296 L N -1.359 119.843 121.223 -0.036 0.000 2.034 296 L HA -0.087 4.253 4.340 -0.000 0.000 0.203 296 L C 2.756 179.548 176.870 -0.130 0.000 1.074 296 L CA 0.673 55.477 54.840 -0.060 0.000 0.748 296 L CB -1.261 40.776 42.059 -0.037 0.000 0.905 296 L HN -0.074 nan 8.230 nan 0.000 0.439 297 L N 0.505 121.609 121.223 -0.200 0.000 2.081 297 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 297 L C 2.761 179.265 176.870 -0.610 0.000 1.080 297 L CA 2.221 56.861 54.840 -0.334 0.000 0.754 297 L CB -0.671 41.167 42.059 -0.367 0.000 0.893 297 L HN 0.398 nan 8.230 nan 0.000 0.433 298 S N -2.029 113.256 115.700 -0.691 0.000 2.474 298 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 298 S C 1.790 176.268 174.600 -0.203 0.000 0.997 298 S CA 0.519 58.289 58.200 -0.715 0.000 0.949 298 S CB -0.408 62.641 63.200 -0.252 0.000 0.766 298 S HN 0.418 nan 8.310 nan 0.000 0.517 299 K N 1.364 121.682 120.400 -0.136 0.000 2.262 299 K HA 0.177 4.497 4.320 -0.000 0.000 0.200 299 K C 0.452 177.041 176.600 -0.018 0.000 1.049 299 K CA 0.200 56.464 56.287 -0.039 0.000 0.979 299 K CB -0.526 31.956 32.500 -0.030 0.000 0.773 299 K HN 0.491 nan 8.250 nan 0.000 0.474 300 D N 1.528 121.904 120.400 -0.039 0.000 2.390 300 D HA -0.030 4.610 4.640 -0.000 0.000 0.249 300 D C 0.957 177.294 176.300 0.063 0.000 1.144 300 D CA 0.161 54.166 54.000 0.008 0.000 0.880 300 D CB 1.229 42.029 40.800 0.000 0.000 1.182 300 D HN 0.067 nan 8.370 nan 0.000 0.451 301 S N 4.069 119.799 115.700 0.050 0.000 2.440 301 S HA -0.170 4.299 4.470 -0.000 0.000 0.238 301 S C 1.475 176.115 174.600 0.065 0.000 1.010 301 S CA 0.686 58.919 58.200 0.054 0.000 0.972 301 S CB -0.063 63.156 63.200 0.030 0.000 0.774 301 S HN 0.558 nan 8.310 nan 0.000 0.501 302 R N -0.663 119.882 120.500 0.075 0.000 2.299 302 R HA 0.226 4.566 4.340 -0.000 0.000 0.197 302 R C 1.594 177.967 176.300 0.123 0.000 0.971 302 R CA 0.330 56.474 56.100 0.074 0.000 1.030 302 R CB -0.395 29.944 30.300 0.064 0.000 0.932 302 R HN 0.415 nan 8.270 nan 0.000 0.477 303 F N 2.976 122.902 119.950 -0.039 0.000 2.043 303 F HA -0.105 4.422 4.527 -0.000 0.000 0.297 303 F C -0.926 174.829 175.800 -0.075 0.000 1.121 303 F CA 1.027 58.989 58.000 -0.064 0.000 1.199 303 F CB -1.182 37.761 39.000 -0.096 0.000 0.968 303 F HN -0.104 nan 8.300 nan 0.000 0.478 304 P HA -0.215 nan 4.420 nan 0.000 0.215 304 P C 1.486 178.649 177.300 -0.227 0.000 1.153 304 P CA 2.378 65.279 63.100 -0.332 0.000 0.853 304 P CB -0.160 31.435 31.700 -0.174 0.000 0.788 305 K N -0.511 119.817 120.400 -0.119 0.000 2.280 305 K HA -0.083 4.237 4.320 -0.000 0.000 0.202 305 K C 1.870 178.415 176.600 -0.092 0.000 1.047 305 K CA 0.960 57.195 56.287 -0.087 0.000 0.942 305 K CB -0.481 31.992 32.500 -0.044 0.000 0.739 305 K HN 0.069 nan 8.250 nan 0.000 0.457 306 I N 0.086 120.603 120.570 -0.088 0.000 2.333 306 I HA -0.224 3.946 4.170 -0.000 0.000 0.246 306 I C 1.743 177.783 176.117 -0.129 0.000 1.106 306 I CA 0.345 61.609 61.300 -0.060 0.000 1.411 306 I CB -0.121 37.917 38.000 0.062 0.000 1.082 306 I HN 0.125 nan 8.210 nan 0.000 0.420 307 L N 0.873 121.957 121.223 -0.233 0.000 1.989 307 L HA -0.243 4.097 4.340 -0.000 0.000 0.211 307 L C 2.520 179.282 176.870 -0.180 0.000 1.071 307 L CA 1.832 56.519 54.840 -0.254 0.000 0.749 307 L CB -1.049 40.760 42.059 -0.418 0.000 0.890 307 L HN 0.282 nan 8.230 nan 0.000 0.431 308 E N -0.644 119.454 120.200 -0.169 0.000 2.070 308 E HA -0.274 4.075 4.350 -0.000 0.000 0.197 308 E C 1.811 178.346 176.600 -0.109 0.000 1.004 308 E CA 1.599 57.924 56.400 -0.126 0.000 0.805 308 E CB 0.039 29.673 29.700 -0.110 0.000 0.744 308 E HN 0.451 nan 8.360 nan 0.000 0.451 309 N N 0.051 118.684 118.700 -0.111 0.000 2.309 309 N HA -0.079 4.660 4.740 -0.000 0.000 0.182 309 N C 1.430 176.866 175.510 -0.124 0.000 1.018 309 N CA 0.695 53.680 53.050 -0.108 0.000 0.876 309 N CB 0.014 38.435 38.487 -0.111 0.000 0.972 309 N HN 0.233 nan 8.380 nan 0.000 0.434 310 L N 0.278 121.419 121.223 -0.135 0.000 2.591 310 L HA 0.227 4.567 4.340 -0.000 0.000 0.228 310 L C -0.048 176.754 176.870 -0.113 0.000 1.133 310 L CA -0.012 54.748 54.840 -0.132 0.000 0.880 310 L CB 0.032 42.014 42.059 -0.127 0.000 1.033 310 L HN 0.079 nan 8.230 nan 0.000 0.450 311 R N 0.482 120.916 120.500 -0.111 0.000 3.332 311 R HA -0.141 4.199 4.340 -0.000 0.000 0.263 311 R C -0.810 175.433 176.300 -0.094 0.000 1.053 311 R CA 0.515 56.554 56.100 -0.103 0.000 0.705 311 R CB -2.443 27.785 30.300 -0.119 0.000 1.166 311 R HN 0.322 nan 8.270 nan 0.000 0.427 312 L N 0.419 121.582 121.223 -0.100 0.000 2.354 312 L HA 0.470 4.810 4.340 -0.000 0.000 0.264 312 L C 0.487 177.295 176.870 -0.104 0.000 1.008 312 L CA -0.931 53.855 54.840 -0.091 0.000 0.819 312 L CB 2.214 44.219 42.059 -0.089 0.000 1.339 312 L HN 0.195 nan 8.230 nan 0.000 0.420 313 Q N 1.640 121.393 119.800 -0.079 0.000 2.413 313 Q HA 0.665 5.005 4.340 -0.000 0.000 0.276 313 Q C -1.652 174.315 176.000 -0.056 0.000 1.099 313 Q CA -1.082 54.675 55.803 -0.078 0.000 0.814 313 Q CB 2.963 31.674 28.738 -0.046 0.000 1.379 313 Q HN 0.595 nan 8.270 nan 0.000 0.436 314 K N 0.803 121.168 120.400 -0.058 0.000 2.328 314 K HA 0.786 5.106 4.320 -0.000 0.000 0.246 314 K C -0.941 175.707 176.600 0.081 0.000 0.955 314 K CA -0.963 55.331 56.287 0.013 0.000 0.817 314 K CB 2.447 34.908 32.500 -0.065 0.000 1.208 314 K HN 0.924 nan 8.250 nan 0.000 0.432 315 R N -0.391 120.203 120.500 0.155 0.000 2.766 315 R HA 0.486 4.826 4.340 -0.000 0.000 0.270 315 R C -0.709 175.681 176.300 0.150 0.000 1.035 315 R CA -1.141 55.040 56.100 0.136 0.000 0.911 315 R CB 0.746 31.099 30.300 0.087 0.000 1.243 315 R HN 0.697 nan 8.270 nan 0.000 0.460 316 G N -0.294 108.554 108.800 0.079 0.000 2.441 316 G HA2 0.151 4.111 3.960 -0.000 0.000 0.243 316 G HA3 0.151 4.111 3.960 -0.000 0.000 0.243 316 G C 0.392 175.259 174.900 -0.054 0.000 1.281 316 G CA -0.034 45.063 45.100 -0.006 0.000 0.854 316 G HN 0.604 nan 8.290 nan 0.000 0.560 317 T N 0.540 114.986 114.554 -0.180 0.000 2.942 317 T HA 0.168 4.518 4.350 -0.000 0.000 0.265 317 T C 1.846 176.445 174.700 -0.169 0.000 1.062 317 T CA 2.204 64.112 62.100 -0.320 0.000 1.139 317 T CB -0.199 68.322 68.868 -0.578 0.000 0.883 317 T HN 0.745 nan 8.240 nan 0.000 0.468 318 G N -1.176 107.545 108.800 -0.131 0.000 2.647 318 G HA2 0.388 4.348 3.960 -0.000 0.000 0.212 318 G HA3 0.388 4.348 3.960 -0.000 0.000 0.212 318 G C 1.054 175.916 174.900 -0.063 0.000 1.540 318 G CA 0.272 45.325 45.100 -0.077 0.000 0.608 318 G HN 0.868 nan 8.290 nan 0.000 1.094 319 G N 0.379 109.124 108.800 -0.091 0.000 2.168 319 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.257 319 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.257 319 G C 1.376 176.245 174.900 -0.051 0.000 0.997 319 G CA 1.247 46.304 45.100 -0.071 0.000 0.708 319 G HN 1.766 nan 8.290 nan 0.000 0.520 320 V N -2.961 116.922 119.914 -0.052 0.000 3.440 320 V HA 0.080 4.200 4.120 -0.000 0.000 0.274 320 V C 1.372 177.445 176.094 -0.035 0.000 1.207 320 V CA 1.984 64.262 62.300 -0.037 0.000 1.183 320 V CB -0.264 31.540 31.823 -0.033 0.000 0.837 320 V HN 0.382 nan 8.190 nan 0.000 0.532 321 D N -0.399 119.976 120.400 -0.042 0.000 3.234 321 D HA 0.176 4.816 4.640 -0.000 0.000 0.281 321 D C 1.644 177.928 176.300 -0.026 0.000 1.405 321 D CA 1.300 55.279 54.000 -0.036 0.000 1.115 321 D CB 0.814 41.585 40.800 -0.047 0.000 1.198 321 D HN 0.456 nan 8.370 nan 0.000 0.388 322 T N -1.365 113.172 114.554 -0.028 0.000 3.245 322 T HA 0.371 4.721 4.350 -0.000 0.000 0.261 322 T C 0.611 175.308 174.700 -0.006 0.000 0.842 322 T CA 0.518 62.611 62.100 -0.013 0.000 0.858 322 T CB 0.548 69.412 68.868 -0.007 0.000 1.262 322 T HN 0.173 nan 8.240 nan 0.000 0.587 323 A N 0.587 123.395 122.820 -0.019 0.000 1.845 323 A HA 0.911 5.231 4.320 -0.000 0.000 0.188 323 A C 1.399 178.959 177.584 -0.039 0.000 2.173 323 A CA 0.928 52.964 52.037 -0.002 0.000 1.255 323 A CB -0.462 18.554 19.000 0.026 0.000 0.999 323 A HN 0.509 nan 8.150 nan 0.000 0.634 324 A N -2.062 120.676 122.820 -0.136 0.000 2.606 324 A HA 0.519 4.839 4.320 -0.000 0.000 0.230 324 A C 0.369 177.777 177.584 -0.294 0.000 1.279 324 A CA 1.187 53.085 52.037 -0.231 0.000 1.010 324 A CB 0.375 19.148 19.000 -0.380 0.000 1.271 324 A HN 1.133 nan 8.150 nan 0.000 0.584 325 T N 0.300 114.706 114.554 -0.247 0.000 3.700 325 T HA 0.064 4.414 4.350 -0.000 0.000 0.393 325 T C 0.577 175.137 174.700 -0.234 0.000 0.763 325 T CA 0.645 62.623 62.100 -0.203 0.000 2.100 325 T CB -1.771 66.988 68.868 -0.182 0.000 1.769 325 T HN 2.149 nan 8.240 nan 0.000 0.836 326 G N 0.892 109.583 108.800 -0.182 0.000 2.130 326 G HA2 0.176 4.136 3.960 -0.000 0.000 0.234 326 G HA3 0.176 4.136 3.960 -0.000 0.000 0.234 326 G C 1.463 176.268 174.900 -0.159 0.000 0.562 326 G CA 1.510 46.526 45.100 -0.141 0.000 1.039 326 G HN 2.424 nan 8.290 nan 0.000 0.378 327 G N -0.996 107.676 108.800 -0.214 0.000 2.217 327 G HA2 -0.100 3.859 3.960 -0.000 0.000 0.246 327 G HA3 -0.100 3.859 3.960 -0.000 0.000 0.246 327 G C 0.396 175.190 174.900 -0.176 0.000 0.990 327 G CA 0.417 45.463 45.100 -0.091 0.000 0.627 327 G HN 1.711 nan 8.290 nan 0.000 0.522 328 V N 1.568 121.220 119.914 -0.436 0.000 2.370 328 V HA 0.776 4.895 4.120 -0.000 0.000 0.279 328 V C -0.086 175.648 176.094 -0.600 0.000 1.029 328 V CA -0.442 61.663 62.300 -0.325 0.000 0.870 328 V CB 0.872 32.551 31.823 -0.240 0.000 0.984 328 V HN 0.236 nan 8.190 nan 0.000 0.451 329 F N 1.718 121.643 119.950 -0.042 0.000 2.631 329 F HA 0.521 5.047 4.527 -0.000 0.000 0.328 329 F C 0.085 175.872 175.800 -0.023 0.000 1.067 329 F CA -1.022 56.965 58.000 -0.023 0.000 0.969 329 F CB 1.510 40.552 39.000 0.071 0.000 1.332 329 F HN 0.345 nan 8.300 nan 0.000 0.490 330 D N 2.213 122.751 120.400 0.230 0.000 2.427 330 D HA 0.304 4.944 4.640 -0.000 0.000 0.226 330 D C -1.132 175.279 176.300 0.186 0.000 1.076 330 D CA -0.100 54.041 54.000 0.235 0.000 0.849 330 D CB 0.623 41.543 40.800 0.200 0.000 1.052 330 D HN 0.198 nan 8.370 nan 0.000 0.515 331 I N 2.917 123.576 120.570 0.147 0.000 2.377 331 I HA 0.320 4.490 4.170 -0.000 0.000 0.293 331 I C 0.542 176.678 176.117 0.032 0.000 0.987 331 I CA -0.540 60.800 61.300 0.066 0.000 1.185 331 I CB 1.036 39.058 38.000 0.037 0.000 1.341 331 I HN 0.380 nan 8.210 nan 0.000 0.455 332 S N 5.116 120.821 115.700 0.008 0.000 2.656 332 S HA 0.507 4.977 4.470 -0.000 0.000 0.273 332 S C -0.796 173.788 174.600 -0.026 0.000 1.168 332 S CA -1.103 57.093 58.200 -0.007 0.000 0.817 332 S CB 1.989 65.191 63.200 0.003 0.000 1.146 332 S HN 0.618 nan 8.310 nan 0.000 0.475 333 N N 0.867 119.547 118.700 -0.033 0.000 2.479 333 N HA 0.053 4.793 4.740 -0.000 0.000 0.257 333 N C 0.485 175.974 175.510 -0.035 0.000 1.232 333 N CA -0.675 52.349 53.050 -0.043 0.000 0.920 333 N CB 0.609 39.067 38.487 -0.049 0.000 1.105 333 N HN 0.582 nan 8.380 nan 0.000 0.444 334 L N 0.363 121.560 121.223 -0.045 0.000 2.145 334 L HA 0.101 4.441 4.340 -0.000 0.000 0.201 334 L C 0.036 176.894 176.870 -0.020 0.000 1.075 334 L CA 1.248 56.065 54.840 -0.038 0.000 0.773 334 L CB -0.540 41.487 42.059 -0.054 0.000 0.936 334 L HN 0.563 nan 8.230 nan 0.000 0.451 335 D N -0.254 120.132 120.400 -0.023 0.000 2.362 335 D HA 0.104 4.743 4.640 -0.000 0.000 0.242 335 D C 0.620 176.941 176.300 0.035 0.000 1.132 335 D CA 0.109 54.115 54.000 0.009 0.000 0.907 335 D CB 1.996 42.783 40.800 -0.022 0.000 1.195 335 D HN 0.036 nan 8.370 nan 0.000 0.429 336 R N -0.194 120.354 120.500 0.079 0.000 2.663 336 R HA 0.300 4.640 4.340 -0.000 0.000 0.199 336 R C -0.295 175.980 176.300 -0.041 0.000 0.870 336 R CA -0.116 56.018 56.100 0.056 0.000 1.040 336 R CB 0.752 31.122 30.300 0.116 0.000 1.524 336 R HN 0.327 nan 8.270 nan 0.000 0.643 337 L N 0.008 121.148 121.223 -0.138 0.000 2.346 337 L HA 0.478 4.817 4.340 -0.000 0.000 0.276 337 L C -0.091 176.631 176.870 -0.246 0.000 1.006 337 L CA 0.297 54.883 54.840 -0.423 0.000 0.817 337 L CB 1.982 43.463 42.059 -0.963 0.000 1.272 337 L HN 0.563 nan 8.230 nan 0.000 0.421 338 G N 2.972 111.767 108.800 -0.008 0.000 2.176 338 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.232 338 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.232 338 G C -0.054 174.936 174.900 0.149 0.000 0.986 338 G CA -0.115 45.060 45.100 0.125 0.000 0.643 338 G HN 0.523 nan 8.290 nan 0.000 0.522 339 K N 0.598 121.085 120.400 0.145 0.000 2.498 339 K HA 0.575 4.894 4.320 -0.000 0.000 0.254 339 K C 0.353 177.018 176.600 0.108 0.000 0.933 339 K CA -0.105 56.257 56.287 0.124 0.000 0.806 339 K CB 2.105 34.686 32.500 0.136 0.000 1.301 339 K HN 0.422 nan 8.250 nan 0.000 0.432 340 S N 0.837 116.572 115.700 0.058 0.000 2.600 340 S HA 0.019 4.489 4.470 -0.000 0.000 0.265 340 S C 1.133 175.824 174.600 0.152 0.000 1.325 340 S CA -0.277 57.968 58.200 0.076 0.000 1.002 340 S CB 0.712 63.951 63.200 0.065 0.000 0.921 340 S HN 0.681 nan 8.310 nan 0.000 0.554 341 E N 0.877 121.212 120.200 0.224 0.000 2.150 341 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 341 E C 2.018 178.694 176.600 0.126 0.000 0.985 341 E CA 0.881 57.419 56.400 0.231 0.000 0.814 341 E CB -1.123 28.832 29.700 0.425 0.000 0.752 341 E HN 0.464 nan 8.360 nan 0.000 0.466 342 V N 2.084 122.119 119.914 0.202 0.000 2.343 342 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 342 V C 2.278 178.391 176.094 0.031 0.000 1.051 342 V CA 2.140 64.518 62.300 0.131 0.000 1.036 342 V CB -0.552 31.386 31.823 0.192 0.000 0.654 342 V HN 0.239 nan 8.190 nan 0.000 0.451 343 E N -0.069 120.178 120.200 0.078 0.000 2.110 343 E HA -0.179 4.170 4.350 -0.000 0.000 0.193 343 E C 2.215 178.867 176.600 0.085 0.000 0.988 343 E CA 1.150 57.621 56.400 0.118 0.000 0.804 343 E CB -0.169 29.651 29.700 0.200 0.000 0.745 343 E HN 0.511 nan 8.360 nan 0.000 0.458 344 L N 0.373 121.609 121.223 0.022 0.000 2.072 344 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 344 L C 2.448 179.255 176.870 -0.105 0.000 1.079 344 L CA 0.589 55.407 54.840 -0.037 0.000 0.752 344 L CB -0.284 41.760 42.059 -0.025 0.000 0.906 344 L HN 0.036 nan 8.230 nan 0.000 0.436 345 V N -0.434 119.347 119.914 -0.222 0.000 2.358 345 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 345 V C 2.453 178.447 176.094 -0.165 0.000 1.047 345 V CA 1.716 63.820 62.300 -0.326 0.000 1.035 345 V CB -0.413 30.926 31.823 -0.807 0.000 0.658 345 V HN 0.426 nan 8.190 nan 0.000 0.452 346 Q N 0.203 119.936 119.800 -0.111 0.000 2.096 346 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 346 Q C 2.072 178.084 176.000 0.020 0.000 0.982 346 Q CA 1.980 57.768 55.803 -0.024 0.000 0.850 346 Q CB -0.600 28.147 28.738 0.014 0.000 0.901 346 Q HN 0.656 nan 8.270 nan 0.000 0.422 347 L N -0.911 120.323 121.223 0.017 0.000 2.083 347 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 347 L C 1.850 178.725 176.870 0.010 0.000 1.083 347 L CA 0.995 55.843 54.840 0.013 0.000 0.752 347 L CB -0.141 41.892 42.059 -0.043 0.000 0.899 347 L HN 0.138 nan 8.230 nan 0.000 0.433 348 V N 0.228 120.145 119.914 0.005 0.000 2.379 348 V HA -0.270 3.849 4.120 -0.000 0.000 0.245 348 V C 2.393 178.574 176.094 0.145 0.000 1.044 348 V CA 1.899 64.221 62.300 0.036 0.000 1.036 348 V CB -0.236 31.596 31.823 0.016 0.000 0.664 348 V HN 0.383 nan 8.190 nan 0.000 0.453 349 I N 0.254 120.936 120.570 0.187 0.000 2.163 349 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 349 I C 2.308 178.591 176.117 0.277 0.000 1.085 349 I CA 1.768 63.264 61.300 0.327 0.000 1.347 349 I CB -0.486 37.574 38.000 0.101 0.000 1.044 349 I HN 0.334 nan 8.210 nan 0.000 0.408 350 D N 0.822 121.312 120.400 0.151 0.000 2.117 350 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 350 D C 2.167 178.548 176.300 0.135 0.000 0.987 350 D CA 1.603 55.683 54.000 0.132 0.000 0.829 350 D CB -0.617 40.234 40.800 0.085 0.000 0.961 350 D HN 0.410 nan 8.370 nan 0.000 0.460 351 G N 0.636 109.489 108.800 0.088 0.000 2.402 351 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 351 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 351 G C 1.862 176.813 174.900 0.085 0.000 1.162 351 G CA 0.577 45.715 45.100 0.062 0.000 0.777 351 G HN 0.231 nan 8.290 nan 0.000 0.539 352 V N 1.373 121.310 119.914 0.040 0.000 2.427 352 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 352 V C 2.650 178.728 176.094 -0.025 0.000 1.051 352 V CA 1.698 63.940 62.300 -0.096 0.000 1.048 352 V CB -0.410 31.137 31.823 -0.460 0.000 0.666 352 V HN 0.297 nan 8.190 nan 0.000 0.456 353 N N -0.505 118.277 118.700 0.137 0.000 2.166 353 N HA -0.203 4.537 4.740 -0.000 0.000 0.186 353 N C 1.742 177.303 175.510 0.085 0.000 1.019 353 N CA 1.604 54.745 53.050 0.151 0.000 0.856 353 N CB -0.450 38.164 38.487 0.213 0.000 0.993 353 N HN 0.639 nan 8.380 nan 0.000 0.426 354 Y N 0.867 121.173 120.300 0.010 0.000 2.333 354 Y HA -0.109 4.440 4.550 -0.000 0.000 0.290 354 Y C 1.813 177.693 175.900 -0.033 0.000 1.144 354 Y CA 0.892 58.987 58.100 -0.007 0.000 1.228 354 Y CB -0.019 38.441 38.460 0.001 0.000 0.985 354 Y HN -0.068 nan 8.280 nan 0.000 0.542 355 L N -0.006 121.259 121.223 0.071 0.000 2.044 355 L HA -0.176 4.164 4.340 -0.000 0.000 0.205 355 L C 2.345 179.111 176.870 -0.174 0.000 1.075 355 L CA 1.506 56.340 54.840 -0.011 0.000 0.747 355 L CB -1.198 40.878 42.059 0.028 0.000 0.903 355 L HN 0.266 nan 8.230 nan 0.000 0.435 356 I N -0.334 120.110 120.570 -0.210 0.000 2.208 356 I HA -0.338 3.832 4.170 -0.000 0.000 0.245 356 I C 2.188 178.072 176.117 -0.390 0.000 1.097 356 I CA 1.732 62.795 61.300 -0.394 0.000 1.363 356 I CB -0.287 37.556 38.000 -0.261 0.000 1.051 356 I HN 0.313 nan 8.210 nan 0.000 0.413 357 D N 0.142 120.386 120.400 -0.260 0.000 2.144 357 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 357 D C 2.215 178.349 176.300 -0.277 0.000 0.984 357 D CA 1.234 55.089 54.000 -0.242 0.000 0.834 357 D CB 0.062 40.723 40.800 -0.232 0.000 0.955 357 D HN 0.332 nan 8.370 nan 0.000 0.465 358 C N -0.007 119.096 119.300 -0.327 0.000 2.446 358 C HA -0.016 4.444 4.460 -0.000 0.000 0.277 358 C C 2.485 177.355 174.990 -0.200 0.000 1.275 358 C CA 0.693 59.550 59.018 -0.267 0.000 1.727 358 C CB -0.909 26.690 27.740 -0.234 0.000 2.010 358 C HN 0.434 nan 8.230 nan 0.000 0.486 359 E N 0.968 121.023 120.200 -0.242 0.000 2.077 359 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 359 E C 2.319 178.831 176.600 -0.147 0.000 0.989 359 E CA 1.347 57.622 56.400 -0.209 0.000 0.800 359 E CB -0.192 29.318 29.700 -0.317 0.000 0.746 359 E HN 0.478 nan 8.360 nan 0.000 0.452 360 R N -0.353 120.026 120.500 -0.203 0.000 2.115 360 R HA 0.009 4.349 4.340 -0.000 0.000 0.230 360 R C 2.444 178.715 176.300 -0.048 0.000 1.111 360 R CA 1.309 57.368 56.100 -0.069 0.000 0.976 360 R CB -0.152 30.105 30.300 -0.071 0.000 0.870 360 R HN 0.098 nan 8.270 nan 0.000 0.445 361 R N -0.085 120.364 120.500 -0.085 0.000 2.148 361 R HA -0.037 4.303 4.340 -0.000 0.000 0.223 361 R C 1.786 178.057 176.300 -0.048 0.000 1.088 361 R CA 0.605 56.666 56.100 -0.065 0.000 0.985 361 R CB -0.056 30.191 30.300 -0.088 0.000 0.880 361 R HN 0.060 nan 8.270 nan 0.000 0.451 362 L N 1.061 122.251 121.223 -0.054 0.000 2.179 362 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 362 L C 1.767 178.627 176.870 -0.017 0.000 1.096 362 L CA 1.632 56.449 54.840 -0.038 0.000 0.779 362 L CB -0.242 41.787 42.059 -0.050 0.000 0.922 362 L HN 0.115 nan 8.230 nan 0.000 0.443 363 E N -0.739 119.459 120.200 -0.003 0.000 2.106 363 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 363 E C 2.038 178.643 176.600 0.007 0.000 0.984 363 E CA 0.816 57.225 56.400 0.015 0.000 0.806 363 E CB -0.118 29.610 29.700 0.046 0.000 0.750 363 E HN 0.438 nan 8.360 nan 0.000 0.458 364 R N -0.380 120.120 120.500 0.001 0.000 2.276 364 R HA 0.029 4.369 4.340 -0.000 0.000 0.203 364 R C 1.191 177.488 176.300 -0.005 0.000 1.017 364 R CA 0.585 56.684 56.100 -0.001 0.000 1.010 364 R CB 0.303 30.600 30.300 -0.005 0.000 0.900 364 R HN 0.293 nan 8.270 nan 0.000 0.469 365 G N 0.836 109.631 108.800 -0.008 0.000 2.157 365 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.239 365 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.239 365 G C 0.018 174.911 174.900 -0.011 0.000 0.982 365 G CA -0.135 44.960 45.100 -0.008 0.000 0.650 365 G HN 0.327 nan 8.290 nan 0.000 0.527 366 Q N -0.400 119.390 119.800 -0.016 0.000 2.222 366 Q HA 0.563 4.903 4.340 -0.000 0.000 0.211 366 Q C -0.449 175.538 176.000 -0.021 0.000 1.013 366 Q CA -0.417 55.375 55.803 -0.018 0.000 0.993 366 Q CB 0.770 29.493 28.738 -0.024 0.000 1.151 366 Q HN 0.270 nan 8.270 nan 0.000 0.544 367 D N -0.242 120.146 120.400 -0.020 0.000 2.340 367 D HA 0.533 5.173 4.640 -0.000 0.000 0.243 367 D C -1.227 175.057 176.300 -0.025 0.000 0.988 367 D CA -0.655 53.335 54.000 -0.017 0.000 0.959 367 D CB 1.096 41.892 40.800 -0.007 0.000 1.226 367 D HN 0.460 nan 8.370 nan 0.000 0.509 368 I N -1.272 119.287 120.570 -0.019 0.000 2.646 368 I HA 0.630 4.800 4.170 -0.000 0.000 0.299 368 I C -0.356 175.776 176.117 0.024 0.000 1.036 368 I CA -1.112 60.174 61.300 -0.023 0.000 1.074 368 I CB 2.017 39.992 38.000 -0.041 0.000 1.258 368 I HN 0.228 nan 8.210 nan 0.000 0.430 369 R N 4.941 125.477 120.500 0.060 0.000 2.643 369 R HA 0.642 4.982 4.340 -0.000 0.000 0.272 369 R C -0.959 175.449 176.300 0.181 0.000 0.995 369 R CA -0.774 55.386 56.100 0.100 0.000 1.032 369 R CB 1.719 32.078 30.300 0.097 0.000 1.126 369 R HN 0.695 nan 8.270 nan 0.000 0.505 370 I N 3.459 124.100 120.570 0.120 0.000 2.416 370 I HA 0.157 4.327 4.170 -0.000 0.000 0.288 370 I C -1.534 174.609 176.117 0.044 0.000 1.051 370 I CA -2.047 59.312 61.300 0.098 0.000 1.375 370 I CB 1.215 39.238 38.000 0.039 0.000 1.407 370 I HN 0.383 nan 8.210 nan 0.000 0.516 371 P HA -0.005 nan 4.420 nan 0.000 0.271 371 P C -0.177 177.026 177.300 -0.161 0.000 1.218 371 P CA -0.224 62.714 63.100 -0.270 0.000 0.780 371 P CB 0.765 31.956 31.700 -0.849 0.000 0.901 372 T N 3.178 117.663 114.554 -0.115 0.000 2.888 372 T HA 0.209 4.559 4.350 -0.000 0.000 0.301 372 T C -2.073 172.574 174.700 -0.089 0.000 1.001 372 T CA -1.288 60.768 62.100 -0.073 0.000 1.147 372 T CB -0.929 67.913 68.868 -0.042 0.000 0.931 372 T HN 0.250 nan 8.240 nan 0.000 0.541 373 P HA -0.008 nan 4.420 nan 0.000 0.263 373 P C -0.844 176.424 177.300 -0.053 0.000 1.162 373 P CA -0.103 62.958 63.100 -0.066 0.000 0.758 373 P CB 0.287 31.959 31.700 -0.046 0.000 0.773 374 V N 4.844 124.723 119.914 -0.058 0.000 2.498 374 V HA 0.239 4.358 4.120 -0.000 0.000 0.279 374 V C 0.496 176.589 176.094 -0.002 0.000 1.048 374 V CA 0.072 62.356 62.300 -0.027 0.000 0.967 374 V CB 0.453 32.243 31.823 -0.055 0.000 0.988 374 V HN 0.331 nan 8.190 nan 0.000 0.473 375 I N 0.986 121.588 120.570 0.052 0.000 2.476 375 I HA 0.438 4.608 4.170 -0.000 0.000 0.281 375 I C 0.210 176.416 176.117 0.149 0.000 1.040 375 I CA 0.004 61.342 61.300 0.064 0.000 1.094 375 I CB 1.111 39.129 38.000 0.029 0.000 1.219 375 I HN 0.516 nan 8.210 nan 0.000 0.450 376 H N 3.060 122.113 119.070 -0.029 0.000 2.524 376 H HA 0.127 4.683 4.556 -0.000 0.000 0.280 376 H C 0.110 175.398 175.328 -0.067 0.000 1.018 376 H CA -0.066 55.959 56.048 -0.038 0.000 1.165 376 H CB 0.475 30.220 29.762 -0.028 0.000 1.411 376 H HN 0.681 nan 8.280 nan 0.000 0.569 377 T N 1.075 115.656 114.554 0.046 0.000 3.953 377 T HA -0.050 4.300 4.350 -0.000 0.000 0.236 377 T C 1.689 176.353 174.700 -0.060 0.000 0.861 377 T CA 0.176 62.265 62.100 -0.018 0.000 0.909 377 T CB -0.099 68.772 68.868 0.004 0.000 1.240 377 T HN 0.460 nan 8.240 nan 0.000 0.683 378 K N 1.658 121.990 120.400 -0.112 0.000 2.001 378 K HA -0.218 4.102 4.320 -0.000 0.000 0.223 378 K C 0.994 177.574 176.600 -0.033 0.000 1.055 378 K CA 1.791 58.021 56.287 -0.096 0.000 0.965 378 K CB -0.025 32.395 32.500 -0.133 0.000 0.730 378 K HN 0.779 nan 8.250 nan 0.000 0.449 379 H N 0.000 119.077 119.070 0.012 0.000 2.539 379 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 379 H CA 0.000 56.054 56.048 0.010 0.000 1.023 379 H CB 0.000 29.766 29.762 0.006 0.000 1.292 379 H HN 0.000 nan 8.280 nan 0.000 0.496