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 2ggj_1_D DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTCIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.464 176.300 0.274 0.000 0.893 6 R CA 0.000 56.210 56.100 0.183 0.000 0.921 6 R CB 0.000 30.377 30.300 0.129 0.000 0.687 7 M N 1.058 120.761 119.600 0.172 0.000 2.197 7 M HA 0.508 4.987 4.480 -0.000 0.000 0.305 7 M C -0.117 176.318 176.300 0.225 0.000 1.162 7 M CA -0.174 55.199 55.300 0.121 0.000 1.099 7 M CB 0.343 32.916 32.600 -0.046 0.000 1.430 7 M HN 0.522 nan 8.290 nan 0.000 0.481 8 F N -0.796 119.224 119.950 0.117 0.000 2.551 8 F HA 0.676 5.203 4.527 -0.000 0.000 0.316 8 F C -0.850 175.020 175.800 0.116 0.000 1.089 8 F CA -1.170 56.913 58.000 0.139 0.000 0.915 8 F CB 1.055 40.177 39.000 0.204 0.000 1.186 8 F HN 0.368 nan 8.300 nan 0.000 0.456 9 K N 4.389 124.942 120.400 0.255 0.000 2.265 9 K HA 0.525 4.845 4.320 -0.000 0.000 0.267 9 K C -1.034 175.718 176.600 0.253 0.000 0.994 9 K CA -0.607 55.765 56.287 0.142 0.000 0.860 9 K CB 1.048 33.593 32.500 0.074 0.000 1.099 9 K HN 0.824 nan 8.250 nan 0.000 0.448 10 I N 4.853 125.589 120.570 0.276 0.000 2.308 10 I HA 0.040 4.210 4.170 -0.000 0.000 0.293 10 I C 0.783 177.017 176.117 0.194 0.000 1.078 10 I CA -0.009 61.461 61.300 0.283 0.000 1.292 10 I CB 0.990 39.192 38.000 0.336 0.000 1.423 10 I HN 0.747 nan 8.210 nan 0.000 0.493 11 E N 4.340 124.646 120.200 0.177 0.000 2.075 11 E HA 0.188 4.538 4.350 -0.000 0.000 0.190 11 E C 0.580 177.256 176.600 0.126 0.000 0.969 11 E CA 0.416 56.893 56.400 0.128 0.000 0.815 11 E CB 0.343 30.107 29.700 0.107 0.000 0.776 11 E HN 0.753 nan 8.360 nan 0.000 0.457 12 A N 0.298 123.219 122.820 0.169 0.000 2.479 12 A HA 0.825 5.145 4.320 -0.000 0.000 0.296 12 A C -1.450 176.290 177.584 0.261 0.000 1.121 12 A CA -0.360 51.775 52.037 0.163 0.000 0.743 12 A CB 1.841 20.864 19.000 0.039 0.000 1.323 12 A HN 0.126 nan 8.150 nan 0.000 0.415 13 A N 0.638 123.603 122.820 0.243 0.000 2.422 13 A HA 0.725 5.045 4.320 -0.000 0.000 0.302 13 A C -0.920 176.810 177.584 0.244 0.000 1.041 13 A CA -0.449 51.737 52.037 0.248 0.000 0.708 13 A CB 1.097 20.208 19.000 0.184 0.000 1.257 13 A HN 0.746 nan 8.150 nan 0.000 0.414 14 E N 1.267 121.597 120.200 0.216 0.000 2.183 14 E HA 0.559 4.909 4.350 -0.000 0.000 0.271 14 E C -1.278 175.402 176.600 0.133 0.000 0.919 14 E CA -0.479 56.022 56.400 0.169 0.000 0.781 14 E CB 2.399 32.195 29.700 0.161 0.000 1.140 14 E HN 0.571 nan 8.360 nan 0.000 0.402 15 I N 2.759 123.407 120.570 0.131 0.000 2.362 15 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 15 I C -0.930 175.219 176.117 0.054 0.000 0.994 15 I CA -0.810 60.542 61.300 0.087 0.000 1.158 15 I CB 1.526 39.584 38.000 0.097 0.000 1.315 15 I HN 0.171 nan 8.210 nan 0.000 0.451 16 V N 7.288 127.220 119.914 0.029 0.000 2.525 16 V HA 0.385 4.505 4.120 -0.000 0.000 0.299 16 V C -0.309 175.778 176.094 -0.011 0.000 1.034 16 V CA -0.706 61.598 62.300 0.006 0.000 0.863 16 V CB 2.095 33.919 31.823 0.002 0.000 0.999 16 V HN 0.343 nan 8.190 nan 0.000 0.423 17 V N 4.133 124.035 119.914 -0.020 0.000 2.370 17 V HA 0.834 4.954 4.120 -0.000 0.000 0.283 17 V C 0.442 176.507 176.094 -0.047 0.000 1.023 17 V CA -0.331 61.952 62.300 -0.029 0.000 0.857 17 V CB 1.468 33.279 31.823 -0.020 0.000 0.985 17 V HN 0.995 nan 8.190 nan 0.000 0.443 18 A N 5.043 127.825 122.820 -0.062 0.000 2.337 18 A HA 0.884 5.203 4.320 -0.000 0.000 0.331 18 A C -0.203 177.341 177.584 -0.067 0.000 1.137 18 A CA -0.875 51.109 52.037 -0.088 0.000 0.807 18 A CB 1.233 20.157 19.000 -0.127 0.000 1.250 18 A HN 0.791 nan 8.150 nan 0.000 0.468 19 R N 1.545 122.012 120.500 -0.056 0.000 2.320 19 R HA 0.507 4.846 4.340 -0.000 0.000 0.319 19 R C -1.869 174.465 176.300 0.056 0.000 0.969 19 R CA -0.526 55.585 56.100 0.019 0.000 0.857 19 R CB 0.646 30.965 30.300 0.031 0.000 1.160 19 R HN 0.572 nan 8.270 nan 0.000 0.491 20 L N 6.987 128.227 121.223 0.028 0.000 2.275 20 L HA 0.522 4.862 4.340 -0.000 0.000 0.288 20 L C -2.206 174.738 176.870 0.123 0.000 1.046 20 L CA -2.324 52.508 54.840 -0.013 0.000 0.805 20 L CB 1.450 43.281 42.059 -0.380 0.000 1.193 20 L HN 0.531 nan 8.230 nan 0.000 0.426 21 P HA 0.136 nan 4.420 nan 0.000 0.281 21 P C -0.587 176.799 177.300 0.143 0.000 1.252 21 P CA -0.334 62.649 63.100 -0.195 0.000 0.778 21 P CB 0.658 32.252 31.700 -0.178 0.000 0.895 22 L N 3.080 124.354 121.223 0.084 0.000 2.453 22 L HA 0.104 4.444 4.340 -0.000 0.000 0.272 22 L C 1.615 178.513 176.870 0.047 0.000 1.182 22 L CA 0.094 55.000 54.840 0.111 0.000 0.858 22 L CB -0.089 41.987 42.059 0.029 0.000 1.120 22 L HN 0.453 nan 8.230 nan 0.000 0.474 35 H N 0.684 119.807 119.070 0.088 0.000 2.713 35 H HA 0.767 5.322 4.556 -0.000 0.000 0.340 35 H C -0.916 174.493 175.328 0.136 0.000 1.271 35 H CA -0.692 55.427 56.048 0.118 0.000 1.306 35 H CB 2.028 31.838 29.762 0.080 0.000 1.839 35 H HN 0.308 nan 8.280 nan 0.000 0.627 36 K N 0.399 120.970 120.400 0.285 0.000 2.535 36 K HA 0.273 4.593 4.320 -0.000 0.000 0.251 36 K C -2.018 174.655 176.600 0.120 0.000 0.942 36 K CA -0.503 55.912 56.287 0.213 0.000 0.798 36 K CB 1.491 34.185 32.500 0.324 0.000 1.267 36 K HN 0.236 nan 8.250 nan 0.000 0.434 37 V N 4.213 124.171 119.914 0.073 0.000 2.461 37 V HA 0.388 4.508 4.120 -0.000 0.000 0.275 37 V C -0.539 175.552 176.094 -0.005 0.000 1.047 37 V CA -0.730 61.584 62.300 0.022 0.000 0.955 37 V CB 1.403 33.235 31.823 0.015 0.000 0.988 37 V HN 0.588 nan 8.190 nan 0.000 0.471 38 V N 8.055 127.944 119.914 -0.043 0.000 2.304 38 V HA 0.341 4.461 4.120 -0.000 0.000 0.278 38 V C -2.399 173.668 176.094 -0.046 0.000 1.018 38 V CA -1.772 60.493 62.300 -0.059 0.000 0.814 38 V CB 1.545 33.297 31.823 -0.119 0.000 1.021 38 V HN 0.763 nan 8.190 nan 0.000 0.440 39 P HA 0.451 nan 4.420 nan 0.000 0.287 39 P C -0.872 176.415 177.300 -0.021 0.000 1.281 39 P CA -0.194 62.893 63.100 -0.022 0.000 0.781 39 P CB 0.957 32.649 31.700 -0.013 0.000 0.903 40 L N 3.525 124.739 121.223 -0.015 0.000 2.346 40 L HA 0.559 4.898 4.340 -0.000 0.000 0.276 40 L C -0.269 176.606 176.870 0.008 0.000 1.006 40 L CA -1.093 53.742 54.840 -0.008 0.000 0.817 40 L CB 1.909 43.962 42.059 -0.010 0.000 1.272 40 L HN 0.221 nan 8.230 nan 0.000 0.421 41 L N 4.217 125.445 121.223 0.009 0.000 2.322 41 L HA 0.615 4.955 4.340 -0.000 0.000 0.281 41 L C -0.863 176.017 176.870 0.017 0.000 1.014 41 L CA 0.034 54.888 54.840 0.024 0.000 0.815 41 L CB 1.550 43.622 42.059 0.022 0.000 1.247 41 L HN 0.397 nan 8.230 nan 0.000 0.421 42 I N 6.133 126.715 120.570 0.020 0.000 2.410 42 I HA 0.356 4.526 4.170 -0.000 0.000 0.286 42 I C -0.778 175.303 176.117 -0.060 0.000 1.009 42 I CA -0.398 60.877 61.300 -0.042 0.000 1.111 42 I CB 1.371 39.344 38.000 -0.045 0.000 1.262 42 I HN 0.433 nan 8.210 nan 0.000 0.443 43 L N 5.776 126.944 121.223 -0.092 0.000 2.325 43 L HA 0.526 4.866 4.340 -0.000 0.000 0.279 43 L C -0.323 176.446 176.870 -0.168 0.000 1.054 43 L CA -0.711 54.110 54.840 -0.032 0.000 0.804 43 L CB 1.012 43.091 42.059 0.033 0.000 1.200 43 L HN 0.503 nan 8.230 nan 0.000 0.436 44 H N 1.486 120.608 119.070 0.086 0.000 2.529 44 H HA 0.674 5.230 4.556 -0.000 0.000 0.348 44 H C -0.316 175.074 175.328 0.104 0.000 1.079 44 H CA -0.525 55.570 56.048 0.078 0.000 1.198 44 H CB 2.329 32.132 29.762 0.068 0.000 1.521 44 H HN 0.771 nan 8.280 nan 0.000 0.514 45 G N 1.473 110.391 108.800 0.197 0.000 2.691 45 G HA2 0.199 4.159 3.960 -0.000 0.000 0.298 45 G HA3 0.199 4.159 3.960 -0.000 0.000 0.298 45 G C -0.760 174.230 174.900 0.150 0.000 1.471 45 G CA -0.820 44.396 45.100 0.193 0.000 0.912 45 G HN 0.480 nan 8.290 nan 0.000 0.553 46 E N -0.181 120.107 120.200 0.146 0.000 2.440 46 E HA -0.267 4.083 4.350 -0.000 0.000 0.246 46 E C 1.471 178.123 176.600 0.087 0.000 1.165 46 E CA 1.823 58.295 56.400 0.120 0.000 0.726 46 E CB -1.523 28.266 29.700 0.148 0.000 1.271 46 E HN 2.521 nan 8.360 nan 0.000 0.397 47 G N -1.652 107.201 108.800 0.088 0.000 2.166 47 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 47 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 47 G C 0.534 175.472 174.900 0.064 0.000 0.986 47 G CA 1.247 46.391 45.100 0.073 0.000 0.683 47 G HN 0.992 nan 8.290 nan 0.000 0.527 48 V N -3.521 116.429 119.914 0.060 0.000 3.164 48 V HA 0.986 5.105 4.120 -0.000 0.000 0.313 48 V C -0.271 175.832 176.094 0.014 0.000 1.188 48 V CA -0.317 61.998 62.300 0.026 0.000 1.058 48 V CB 1.772 33.588 31.823 -0.011 0.000 1.110 48 V HN 0.947 nan 8.190 nan 0.000 0.453 49 Q N 0.203 119.977 119.800 -0.043 0.000 2.456 49 Q HA 0.836 5.175 4.340 -0.000 0.000 0.283 49 Q C -0.540 175.398 176.000 -0.102 0.000 1.084 49 Q CA -0.715 55.008 55.803 -0.134 0.000 0.801 49 Q CB 2.337 30.918 28.738 -0.262 0.000 1.434 49 Q HN 1.245 nan 8.270 nan 0.000 0.419 50 G N 0.257 108.993 108.800 -0.107 0.000 2.495 50 G HA2 0.603 4.563 3.960 -0.000 0.000 0.318 50 G HA3 0.603 4.563 3.960 -0.000 0.000 0.318 50 G C -1.270 173.622 174.900 -0.014 0.000 1.257 50 G CA -0.744 44.336 45.100 -0.033 0.000 0.962 50 G HN 0.394 nan 8.290 nan 0.000 0.483 51 V N 0.552 120.502 119.914 0.060 0.000 2.577 51 V HA 0.827 4.947 4.120 -0.000 0.000 0.303 51 V C 0.168 176.367 176.094 0.175 0.000 1.042 51 V CA -0.694 61.652 62.300 0.076 0.000 0.872 51 V CB 1.120 32.976 31.823 0.055 0.000 0.998 51 V HN 1.222 nan 8.190 nan 0.000 0.423 52 A N 3.312 126.164 122.820 0.054 0.000 2.423 52 A HA 0.899 5.219 4.320 -0.000 0.000 0.304 52 A C -0.803 176.742 177.584 -0.064 0.000 1.104 52 A CA -0.672 51.319 52.037 -0.077 0.000 0.757 52 A CB 1.893 20.789 19.000 -0.174 0.000 1.313 52 A HN 0.856 nan 8.150 nan 0.000 0.423 53 E N 0.935 121.071 120.200 -0.106 0.000 2.176 53 E HA 0.519 4.869 4.350 -0.000 0.000 0.267 53 E C 0.203 176.762 176.600 -0.069 0.000 0.893 53 E CA -0.654 55.711 56.400 -0.059 0.000 0.761 53 E CB 1.436 31.116 29.700 -0.033 0.000 1.133 53 E HN 0.908 nan 8.360 nan 0.000 0.409 54 G N 1.720 110.494 108.800 -0.043 0.000 2.442 54 G HA2 0.122 4.081 3.960 -0.000 0.000 0.249 54 G HA3 0.122 4.081 3.960 -0.000 0.000 0.249 54 G C 0.687 175.567 174.900 -0.033 0.000 1.263 54 G CA 0.125 45.206 45.100 -0.033 0.000 0.846 54 G HN 0.623 nan 8.290 nan 0.000 0.555 55 T N 0.319 114.854 114.554 -0.032 0.000 3.054 55 T HA 0.196 4.546 4.350 -0.000 0.000 0.255 55 T C 1.142 175.828 174.700 -0.023 0.000 1.035 55 T CA -0.384 61.692 62.100 -0.040 0.000 0.941 55 T CB -0.089 68.740 68.868 -0.065 0.000 1.026 55 T HN 0.508 nan 8.240 nan 0.000 0.533 56 M N 1.409 121.007 119.600 -0.003 0.000 2.226 56 M HA 0.566 5.046 4.480 -0.000 0.000 0.324 56 M C -0.570 175.733 176.300 0.004 0.000 1.112 56 M CA -0.203 55.103 55.300 0.010 0.000 1.176 56 M CB 0.068 32.675 32.600 0.011 0.000 1.430 56 M HN 0.086 nan 8.290 nan 0.000 0.462 57 E N 0.855 121.060 120.200 0.009 0.000 2.259 57 E HA 0.680 5.030 4.350 -0.000 0.000 0.257 57 E C 0.837 177.438 176.600 0.002 0.000 0.998 57 E CA -0.506 55.899 56.400 0.008 0.000 0.866 57 E CB 1.184 30.893 29.700 0.015 0.000 1.220 57 E HN 0.746 nan 8.360 nan 0.000 0.415 58 A N 1.011 123.833 122.820 0.004 0.000 1.933 58 A HA -0.096 4.223 4.320 -0.000 0.000 0.218 58 A C 0.753 178.333 177.584 -0.006 0.000 1.175 58 A CA 1.323 53.359 52.037 -0.002 0.000 0.628 58 A CB -0.156 18.845 19.000 0.001 0.000 0.814 58 A HN 0.407 nan 8.150 nan 0.000 0.444 59 R N -0.752 119.745 120.500 -0.006 0.000 2.803 59 R HA 0.398 4.738 4.340 -0.000 0.000 0.276 59 R C -2.877 173.409 176.300 -0.023 0.000 0.978 59 R CA -2.256 53.836 56.100 -0.014 0.000 0.939 59 R CB 1.247 31.541 30.300 -0.010 0.000 1.179 59 R HN 0.016 nan 8.270 nan 0.000 0.472 60 P HA 0.081 nan 4.420 nan 0.000 0.252 60 P C -0.448 176.785 177.300 -0.112 0.000 1.727 60 P CA 0.317 63.367 63.100 -0.085 0.000 1.134 60 P CB 0.384 32.023 31.700 -0.101 0.000 1.876 61 M N 0.950 120.506 119.600 -0.072 0.000 2.718 61 M HA 0.045 4.524 4.480 -0.000 0.000 0.259 61 M C 1.952 178.201 176.300 -0.085 0.000 1.240 61 M CA 0.867 56.128 55.300 -0.064 0.000 1.210 61 M CB -0.300 32.297 32.600 -0.005 0.000 1.281 61 M HN 0.081 nan 8.290 nan 0.000 0.515 62 Y N 0.657 120.868 120.300 -0.149 0.000 2.243 62 Y HA 0.141 4.691 4.550 -0.000 0.000 0.293 62 Y C 1.408 177.137 175.900 -0.285 0.000 1.124 62 Y CA 1.141 59.147 58.100 -0.156 0.000 1.159 62 Y CB 0.494 38.901 38.460 -0.089 0.000 1.008 62 Y HN -0.028 nan 8.280 nan 0.000 0.527 63 R N -0.834 119.439 120.500 -0.379 0.000 3.142 63 R HA 0.088 4.428 4.340 -0.000 0.000 0.260 63 R C 0.963 177.017 176.300 -0.411 0.000 1.129 63 R CA 0.139 55.857 56.100 -0.635 0.000 0.976 63 R CB 0.562 30.590 30.300 -0.452 0.000 1.396 63 R HN 0.129 nan 8.270 nan 0.000 0.434 64 E N 0.911 120.910 120.200 -0.334 0.000 2.385 64 E HA 0.019 4.368 4.350 -0.000 0.000 0.194 64 E C -0.674 175.881 176.600 -0.075 0.000 1.013 64 E CA 0.808 57.097 56.400 -0.185 0.000 0.866 64 E CB 0.310 29.966 29.700 -0.072 0.000 0.832 64 E HN 0.440 nan 8.360 nan 0.000 0.500 65 E N 1.268 121.442 120.200 -0.043 0.000 2.349 65 E HA 0.273 4.623 4.350 -0.000 0.000 0.265 65 E C -0.247 176.344 176.600 -0.016 0.000 1.064 65 E CA -0.048 56.344 56.400 -0.012 0.000 0.886 65 E CB 1.173 30.881 29.700 0.013 0.000 1.036 65 E HN 0.242 nan 8.360 nan 0.000 0.413 66 T N -1.424 113.121 114.554 -0.015 0.000 2.907 66 T HA 0.313 4.663 4.350 -0.000 0.000 0.292 66 T C 1.216 175.907 174.700 -0.015 0.000 1.043 66 T CA -0.874 61.217 62.100 -0.015 0.000 1.003 66 T CB 0.795 69.651 68.868 -0.020 0.000 1.084 66 T HN 0.256 nan 8.240 nan 0.000 0.483 67 I N 1.542 122.105 120.570 -0.012 0.000 2.113 67 I HA -0.234 3.935 4.170 -0.000 0.000 0.242 67 I C 3.023 179.127 176.117 -0.021 0.000 1.064 67 I CA 2.283 63.575 61.300 -0.014 0.000 1.320 67 I CB -1.967 36.026 38.000 -0.011 0.000 1.028 67 I HN 0.929 nan 8.210 nan 0.000 0.406 68 A N 1.074 123.881 122.820 -0.022 0.000 1.873 68 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 68 A C 2.529 180.089 177.584 -0.040 0.000 1.193 68 A CA 2.418 54.438 52.037 -0.027 0.000 0.629 68 A CB -1.466 17.519 19.000 -0.024 0.000 0.826 68 A HN 0.474 nan 8.150 nan 0.000 0.447 69 G N -1.014 107.761 108.800 -0.041 0.000 2.402 69 G HA2 0.064 4.023 3.960 -0.000 0.000 0.216 69 G HA3 0.064 4.023 3.960 -0.000 0.000 0.216 69 G C 1.765 176.618 174.900 -0.078 0.000 1.162 69 G CA 1.448 46.514 45.100 -0.058 0.000 0.777 69 G HN 0.846 nan 8.290 nan 0.000 0.539 70 A N 0.670 123.457 122.820 -0.054 0.000 1.902 70 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 70 A C 2.433 179.975 177.584 -0.071 0.000 1.181 70 A CA 1.309 53.316 52.037 -0.051 0.000 0.623 70 A CB -0.411 18.583 19.000 -0.010 0.000 0.818 70 A HN 0.344 nan 8.150 nan 0.000 0.443 71 L N -0.781 120.409 121.223 -0.055 0.000 2.056 71 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 71 L C 2.393 179.208 176.870 -0.092 0.000 1.078 71 L CA 1.815 56.622 54.840 -0.054 0.000 0.749 71 L CB -0.777 41.266 42.059 -0.027 0.000 0.901 71 L HN 0.489 nan 8.230 nan 0.000 0.433 72 D N 0.431 120.774 120.400 -0.096 0.000 2.149 72 D HA -0.235 4.404 4.640 -0.000 0.000 0.198 72 D C 2.078 178.256 176.300 -0.203 0.000 0.990 72 D CA 0.937 54.864 54.000 -0.121 0.000 0.839 72 D CB 0.136 40.875 40.800 -0.101 0.000 0.948 72 D HN 0.111 nan 8.370 nan 0.000 0.460 73 L N -0.050 121.016 121.223 -0.262 0.000 2.072 73 L HA 0.075 4.415 4.340 -0.000 0.000 0.205 73 L C 2.046 178.579 176.870 -0.562 0.000 1.079 73 L CA 1.253 55.808 54.840 -0.475 0.000 0.752 73 L CB -0.538 41.205 42.059 -0.527 0.000 0.906 73 L HN 0.180 nan 8.230 nan 0.000 0.436 74 L N -0.170 120.863 121.223 -0.316 0.000 1.989 74 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 74 L C 2.864 179.611 176.870 -0.204 0.000 1.071 74 L CA 2.070 56.817 54.840 -0.155 0.000 0.749 74 L CB -0.524 41.506 42.059 -0.048 0.000 0.890 74 L HN 0.391 nan 8.230 nan 0.000 0.431 75 R N -0.552 119.802 120.500 -0.243 0.000 2.119 75 R HA -0.001 4.339 4.340 -0.000 0.000 0.222 75 R C 1.976 178.135 176.300 -0.234 0.000 1.088 75 R CA 1.208 57.098 56.100 -0.350 0.000 0.984 75 R CB -0.672 29.462 30.300 -0.278 0.000 0.884 75 R HN 0.262 nan 8.270 nan 0.000 0.447 76 G N -0.478 108.202 108.800 -0.201 0.000 2.796 76 G HA2 0.035 3.994 3.960 -0.000 0.000 0.210 76 G HA3 0.035 3.994 3.960 -0.000 0.000 0.210 76 G C 0.680 175.472 174.900 -0.179 0.000 1.146 76 G CA 0.547 45.551 45.100 -0.159 0.000 0.779 76 G HN 0.328 nan 8.290 nan 0.000 0.535 77 T N -0.240 114.159 114.554 -0.258 0.000 3.409 77 T HA 0.187 4.536 4.350 -0.000 0.000 0.242 77 T C 1.688 176.367 174.700 -0.035 0.000 1.000 77 T CA -0.206 61.740 62.100 -0.257 0.000 1.180 77 T CB -0.137 68.369 68.868 -0.604 0.000 1.210 77 T HN -0.056 nan 8.240 nan 0.000 0.373 78 F N 2.363 122.237 119.950 -0.127 0.000 2.046 78 F HA 0.082 4.609 4.527 -0.001 0.000 0.297 78 F C 2.326 178.099 175.800 -0.046 0.000 1.123 78 F CA 0.583 58.542 58.000 -0.069 0.000 1.199 78 F CB -1.453 37.503 39.000 -0.074 0.000 0.972 78 F HN 0.067 nan 8.300 nan 0.000 0.474 79 L N -0.307 120.992 121.223 0.126 0.000 1.989 79 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 79 L C -0.188 176.721 176.870 0.064 0.000 1.071 79 L CA 1.667 56.537 54.840 0.051 0.000 0.749 79 L CB -2.277 39.741 42.059 -0.068 0.000 0.890 79 L HN 0.080 nan 8.230 nan 0.000 0.431 80 P HA -0.198 nan 4.420 nan 0.000 0.217 80 P C 1.291 178.647 177.300 0.093 0.000 1.148 80 P CA 1.796 64.931 63.100 0.058 0.000 0.828 80 P CB -0.043 31.676 31.700 0.033 0.000 0.783 81 A N -1.007 121.887 122.820 0.123 0.000 2.119 81 A HA -0.062 4.257 4.320 -0.000 0.000 0.217 81 A C 1.948 179.643 177.584 0.185 0.000 1.153 81 A CA 1.270 53.397 52.037 0.150 0.000 0.692 81 A CB -1.167 17.946 19.000 0.187 0.000 0.799 81 A HN 0.398 nan 8.150 nan 0.000 0.458 82 I N -5.028 115.655 120.570 0.189 0.000 4.338 82 I HA 0.344 4.514 4.170 -0.000 0.000 0.315 82 I C 0.099 176.369 176.117 0.255 0.000 1.262 82 I CA -0.353 61.127 61.300 0.300 0.000 1.298 82 I CB -0.037 38.078 38.000 0.190 0.000 1.257 82 I HN -0.092 nan 8.210 nan 0.000 0.444 83 L N 3.786 125.109 121.223 0.166 0.000 2.540 83 L HA 0.215 4.555 4.340 -0.000 0.000 0.276 83 L C 1.453 178.382 176.870 0.098 0.000 1.212 83 L CA 1.342 56.265 54.840 0.138 0.000 0.893 83 L CB 0.246 42.377 42.059 0.120 0.000 1.138 83 L HN 0.658 nan 8.230 nan 0.000 0.491 84 G N 1.569 110.420 108.800 0.084 0.000 2.184 84 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.264 84 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.264 84 G C 0.319 175.202 174.900 -0.029 0.000 0.975 84 G CA -0.218 44.901 45.100 0.033 0.000 0.642 84 G HN 0.540 nan 8.290 nan 0.000 0.536 85 Q N 0.296 120.068 119.800 -0.046 0.000 2.221 85 Q HA 0.605 4.945 4.340 -0.000 0.000 0.242 85 Q C -0.136 175.540 176.000 -0.540 0.000 0.940 85 Q CA 0.074 55.687 55.803 -0.318 0.000 0.896 85 Q CB 1.400 29.878 28.738 -0.433 0.000 1.226 85 Q HN 0.210 nan 8.270 nan 0.000 0.463 86 T N 2.008 116.091 114.554 -0.785 0.000 2.797 86 T HA 0.665 5.015 4.350 -0.000 0.000 0.279 86 T C -0.772 173.299 174.700 -1.049 0.000 0.991 86 T CA -0.261 61.428 62.100 -0.685 0.000 0.979 86 T CB 0.247 68.904 68.868 -0.351 0.000 0.943 86 T HN 0.247 nan 8.240 nan 0.000 0.444 87 F N 0.292 119.883 119.950 -0.598 0.000 2.576 87 F HA 0.600 5.126 4.527 -0.001 0.000 0.313 87 F C 1.007 176.315 175.800 -0.819 0.000 1.078 87 F CA -1.243 56.310 58.000 -0.745 0.000 0.921 87 F CB 1.638 40.067 39.000 -0.952 0.000 1.232 87 F HN 0.631 nan 8.300 nan 0.000 0.459 88 A N 1.938 124.555 122.820 -0.338 0.000 1.935 88 A HA 0.155 4.474 4.320 -0.000 0.000 0.214 88 A C 0.240 177.488 177.584 -0.559 0.000 1.178 88 A CA 0.976 52.822 52.037 -0.320 0.000 0.640 88 A CB -0.491 18.395 19.000 -0.190 0.000 0.825 88 A HN 0.857 nan 8.150 nan 0.000 0.447 89 N N -3.274 115.084 118.700 -0.570 0.000 2.927 89 N HA 0.272 5.012 4.740 -0.000 0.000 0.248 89 N C -2.950 172.191 175.510 -0.614 0.000 1.443 89 N CA -1.624 50.906 53.050 -0.866 0.000 0.870 89 N CB 0.942 38.952 38.487 -0.795 0.000 1.444 89 N HN -0.322 nan 8.380 nan 0.000 0.519 90 P HA -0.152 nan 4.420 nan 0.000 0.216 90 P C 0.669 177.638 177.300 -0.551 0.000 1.150 90 P CA 1.563 64.174 63.100 -0.815 0.000 0.843 90 P CB 0.144 30.782 31.700 -1.770 0.000 0.787 91 E N -0.308 119.621 120.200 -0.451 0.000 2.085 91 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 91 E C 2.147 178.611 176.600 -0.226 0.000 0.994 91 E CA 1.690 57.950 56.400 -0.234 0.000 0.801 91 E CB -1.142 28.480 29.700 -0.131 0.000 0.743 91 E HN 0.169 nan 8.360 nan 0.000 0.453 92 A N 0.354 123.023 122.820 -0.252 0.000 1.972 92 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 92 A C 2.421 179.829 177.584 -0.294 0.000 1.169 92 A CA 1.192 53.136 52.037 -0.156 0.000 0.635 92 A CB -0.514 18.460 19.000 -0.043 0.000 0.810 92 A HN 0.148 nan 8.150 nan 0.000 0.446 93 V N -0.283 119.281 119.914 -0.583 0.000 2.270 93 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 93 V C 2.789 178.599 176.094 -0.474 0.000 1.043 93 V CA 2.289 64.062 62.300 -0.878 0.000 1.014 93 V CB -0.913 30.441 31.823 -0.782 0.000 0.645 93 V HN 0.562 nan 8.190 nan 0.000 0.447 94 S N 0.090 115.589 115.700 -0.335 0.000 2.359 94 S HA -0.322 4.148 4.470 -0.000 0.000 0.223 94 S C 1.834 176.329 174.600 -0.176 0.000 1.039 94 S CA 2.083 60.140 58.200 -0.237 0.000 1.042 94 S CB -0.597 62.510 63.200 -0.155 0.000 0.915 94 S HN 0.806 nan 8.310 nan 0.000 0.439 95 D N 1.325 121.642 120.400 -0.138 0.000 2.228 95 D HA -0.095 4.545 4.640 -0.000 0.000 0.203 95 D C 1.653 177.927 176.300 -0.043 0.000 0.988 95 D CA 1.156 55.111 54.000 -0.074 0.000 0.864 95 D CB -0.219 40.550 40.800 -0.052 0.000 0.928 95 D HN 0.389 nan 8.370 nan 0.000 0.469 96 A N -0.412 122.377 122.820 -0.052 0.000 2.167 96 A HA 0.117 4.436 4.320 -0.000 0.000 0.214 96 A C 1.938 179.548 177.584 0.044 0.000 1.151 96 A CA 0.167 52.230 52.037 0.042 0.000 0.735 96 A CB -0.393 18.709 19.000 0.171 0.000 0.802 96 A HN 0.373 nan 8.150 nan 0.000 0.467 97 L N -0.454 120.754 121.223 -0.024 0.000 2.627 97 L HA 0.231 4.571 4.340 -0.000 0.000 0.233 97 L C 1.326 178.345 176.870 0.249 0.000 1.144 97 L CA 0.284 55.144 54.840 0.033 0.000 0.892 97 L CB -1.025 40.833 42.059 -0.336 0.000 1.039 97 L HN 0.570 nan 8.230 nan 0.000 0.442 98 G N 0.433 109.310 108.800 0.127 0.000 2.828 98 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.463 98 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.463 98 G C 0.309 175.193 174.900 -0.027 0.000 1.394 98 G CA -0.110 45.007 45.100 0.029 0.000 0.862 98 G HN 0.351 nan 8.290 nan 0.000 0.540 99 S N -0.804 114.767 115.700 -0.216 0.000 2.573 99 S HA 0.443 4.912 4.470 -0.000 0.000 0.244 99 S C 0.513 175.040 174.600 -0.123 0.000 0.984 99 S CA -0.177 57.949 58.200 -0.122 0.000 1.001 99 S CB -0.132 63.001 63.200 -0.112 0.000 0.788 99 S HN 0.748 nan 8.310 nan 0.000 0.456 100 Y N 2.584 122.943 120.300 0.098 0.000 2.903 100 Y HA 0.049 4.599 4.550 0.000 0.000 0.338 100 Y C 1.372 177.329 175.900 0.096 0.000 1.265 100 Y CA -0.072 58.090 58.100 0.103 0.000 1.532 100 Y CB 0.395 38.947 38.460 0.154 0.000 1.293 100 Y HN 0.173 nan 8.280 nan 0.000 0.609 101 R N 1.715 122.344 120.500 0.216 0.000 2.457 101 R HA 0.454 4.794 4.340 -0.000 0.000 0.284 101 R C 0.817 177.199 176.300 0.137 0.000 1.024 101 R CA 0.073 56.255 56.100 0.136 0.000 1.025 101 R CB 1.062 31.417 30.300 0.092 0.000 1.063 101 R HN 0.976 nan 8.270 nan 0.000 0.493 102 G N 2.135 111.003 108.800 0.112 0.000 2.564 102 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.273 102 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.273 102 G C -0.328 174.648 174.900 0.127 0.000 1.242 102 G CA 0.328 45.491 45.100 0.106 0.000 0.951 102 G HN 0.887 nan 8.290 nan 0.000 0.564 103 N N -0.999 117.767 118.700 0.110 0.000 2.738 103 N HA -0.183 4.557 4.740 -0.000 0.000 0.249 103 N C 1.211 176.806 175.510 0.141 0.000 1.047 103 N CA 1.228 54.349 53.050 0.119 0.000 0.707 103 N CB -0.431 38.133 38.487 0.128 0.000 0.937 103 N HN 0.700 nan 8.380 nan 0.000 0.545 104 R N -0.191 120.370 120.500 0.103 0.000 2.153 104 R HA 0.108 4.448 4.340 -0.000 0.000 0.218 104 R C 1.741 178.080 176.300 0.064 0.000 1.072 104 R CA 1.179 57.328 56.100 0.082 0.000 0.990 104 R CB -0.041 30.299 30.300 0.067 0.000 0.889 104 R HN 0.459 nan 8.270 nan 0.000 0.452 105 M N -0.101 119.538 119.600 0.065 0.000 2.254 105 M HA -0.053 4.427 4.480 -0.000 0.000 0.265 105 M C 2.451 178.782 176.300 0.053 0.000 1.066 105 M CA 1.385 56.711 55.300 0.043 0.000 1.123 105 M CB -0.202 32.423 32.600 0.041 0.000 1.388 105 M HN 0.193 nan 8.290 nan 0.000 0.425 106 A N 0.969 123.848 122.820 0.100 0.000 1.851 106 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 106 A C 2.145 179.853 177.584 0.206 0.000 1.195 106 A CA 1.707 53.846 52.037 0.169 0.000 0.622 106 A CB -0.699 18.432 19.000 0.218 0.000 0.831 106 A HN 0.412 nan 8.150 nan 0.000 0.444 107 R N -0.571 120.033 120.500 0.173 0.000 2.105 107 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 107 R C 2.388 178.631 176.300 -0.095 0.000 1.135 107 R CA 1.266 57.299 56.100 -0.111 0.000 0.967 107 R CB -0.492 29.731 30.300 -0.128 0.000 0.861 107 R HN 0.538 nan 8.270 nan 0.000 0.442 108 A N 0.760 123.563 122.820 -0.029 0.000 1.969 108 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 108 A C 2.121 179.668 177.584 -0.062 0.000 1.169 108 A CA 1.146 53.154 52.037 -0.048 0.000 0.635 108 A CB -0.355 18.615 19.000 -0.050 0.000 0.810 108 A HN 0.199 nan 8.150 nan 0.000 0.445 109 M N -0.760 118.818 119.600 -0.037 0.000 2.108 109 M HA -0.155 4.324 4.480 -0.000 0.000 0.261 109 M C 2.062 178.345 176.300 -0.028 0.000 1.066 109 M CA 1.539 56.817 55.300 -0.037 0.000 1.107 109 M CB -0.367 32.234 32.600 0.002 0.000 1.356 109 M HN 0.290 nan 8.290 nan 0.000 0.406 110 V N -0.385 119.509 119.914 -0.034 0.000 2.283 110 V HA -0.200 3.920 4.120 -0.000 0.000 0.243 110 V C 2.369 178.423 176.094 -0.067 0.000 1.039 110 V CA 1.657 63.922 62.300 -0.057 0.000 1.016 110 V CB -0.776 30.972 31.823 -0.125 0.000 0.650 110 V HN 0.449 nan 8.190 nan 0.000 0.449 111 E N 0.247 120.398 120.200 -0.081 0.000 2.070 111 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 111 E C 2.176 178.864 176.600 0.147 0.000 1.004 111 E CA 2.077 58.462 56.400 -0.025 0.000 0.805 111 E CB -0.176 29.524 29.700 0.002 0.000 0.744 111 E HN 0.575 nan 8.360 nan 0.000 0.451 112 M N -0.348 119.332 119.600 0.133 0.000 2.200 112 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 112 M C 2.467 178.945 176.300 0.298 0.000 1.066 112 M CA 1.237 56.690 55.300 0.255 0.000 1.127 112 M CB -0.228 32.274 32.600 -0.163 0.000 1.379 112 M HN 0.075 nan 8.290 nan 0.000 0.420 113 A N 0.888 123.778 122.820 0.117 0.000 1.908 113 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 113 A C 2.413 180.061 177.584 0.106 0.000 1.181 113 A CA 2.136 54.240 52.037 0.113 0.000 0.627 113 A CB -1.010 18.014 19.000 0.040 0.000 0.818 113 A HN 0.494 nan 8.150 nan 0.000 0.445 114 A N -1.495 121.359 122.820 0.056 0.000 1.883 114 A HA -0.192 4.127 4.320 -0.000 0.000 0.217 114 A C 2.010 179.593 177.584 -0.002 0.000 1.186 114 A CA 1.441 53.461 52.037 -0.029 0.000 0.624 114 A CB -1.008 17.913 19.000 -0.132 0.000 0.822 114 A HN 0.754 nan 8.150 nan 0.000 0.444 115 W N -0.112 121.259 121.300 0.118 0.000 2.335 115 W HA -0.204 4.456 4.660 -0.000 0.000 0.311 115 W C 2.100 178.676 176.519 0.094 0.000 1.213 115 W CA 1.411 58.861 57.345 0.174 0.000 1.274 115 W CB -0.175 29.433 29.460 0.246 0.000 1.148 115 W HN 0.471 nan 8.180 nan 0.000 0.498 116 D N -0.058 120.541 120.400 0.330 0.000 2.144 116 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 116 D C 1.978 178.288 176.300 0.017 0.000 0.984 116 D CA 1.253 55.322 54.000 0.114 0.000 0.834 116 D CB -0.341 40.530 40.800 0.118 0.000 0.955 116 D HN 0.057 nan 8.370 nan 0.000 0.465 117 L N 0.151 121.367 121.223 -0.011 0.000 2.044 117 L HA 0.003 4.343 4.340 -0.000 0.000 0.205 117 L C 2.222 178.977 176.870 -0.193 0.000 1.075 117 L CA 1.625 56.393 54.840 -0.121 0.000 0.747 117 L CB -0.942 41.019 42.059 -0.164 0.000 0.903 117 L HN 0.335 nan 8.230 nan 0.000 0.435 118 W N 0.577 121.567 121.300 -0.518 0.000 2.315 118 W HA -0.355 4.305 4.660 -0.000 0.000 0.323 118 W C 2.091 178.487 176.519 -0.206 0.000 1.233 118 W CA 1.799 58.820 57.345 -0.540 0.000 1.267 118 W CB -0.251 28.951 29.460 -0.430 0.000 1.160 118 W HN 0.349 nan 8.180 nan 0.000 0.474 119 A N 0.912 123.627 122.820 -0.175 0.000 1.972 119 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 119 A C 1.958 179.380 177.584 -0.269 0.000 1.169 119 A CA 1.735 53.584 52.037 -0.313 0.000 0.635 119 A CB -0.791 18.137 19.000 -0.120 0.000 0.810 119 A HN 0.450 nan 8.150 nan 0.000 0.446 120 R N -0.616 119.775 120.500 -0.183 0.000 2.115 120 R HA -0.062 4.278 4.340 -0.000 0.000 0.226 120 R C 2.383 178.597 176.300 -0.144 0.000 1.100 120 R CA 1.563 57.577 56.100 -0.144 0.000 0.980 120 R CB -0.492 29.747 30.300 -0.100 0.000 0.875 120 R HN 0.743 nan 8.270 nan 0.000 0.445 121 T N -1.015 113.438 114.554 -0.168 0.000 2.881 121 T HA -0.052 4.297 4.350 -0.000 0.000 0.270 121 T C 1.625 176.222 174.700 -0.172 0.000 1.068 121 T CA 0.936 62.963 62.100 -0.121 0.000 1.131 121 T CB -0.082 68.765 68.868 -0.035 0.000 0.871 121 T HN 0.160 nan 8.240 nan 0.000 0.479 122 L N 0.263 121.300 121.223 -0.310 0.000 2.607 122 L HA 0.419 4.758 4.340 -0.000 0.000 0.228 122 L C 1.954 178.707 176.870 -0.195 0.000 1.123 122 L CA 0.179 54.841 54.840 -0.297 0.000 0.890 122 L CB -0.633 41.130 42.059 -0.493 0.000 1.103 122 L HN 0.502 nan 8.230 nan 0.000 0.468 123 G N 1.389 110.090 108.800 -0.166 0.000 2.283 123 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.280 123 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.280 123 G C 0.016 174.846 174.900 -0.117 0.000 1.029 123 G CA 0.344 45.374 45.100 -0.117 0.000 0.840 123 G HN 0.178 nan 8.290 nan 0.000 0.505 124 V N 0.222 120.043 119.914 -0.155 0.000 2.513 124 V HA 0.518 4.638 4.120 -0.000 0.000 0.299 124 V C -1.803 174.219 176.094 -0.120 0.000 1.035 124 V CA -2.105 60.120 62.300 -0.126 0.000 0.889 124 V CB 2.132 33.869 31.823 -0.142 0.000 0.988 124 V HN 0.060 nan 8.190 nan 0.000 0.440 125 P HA 0.015 nan 4.420 nan 0.000 0.265 125 P C 0.624 177.863 177.300 -0.102 0.000 1.187 125 P CA -0.019 63.048 63.100 -0.056 0.000 0.766 125 P CB 0.606 32.337 31.700 0.051 0.000 0.820 126 L N 4.825 125.887 121.223 -0.268 0.000 1.989 126 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 126 L C 2.286 179.034 176.870 -0.203 0.000 1.071 126 L CA 2.711 57.367 54.840 -0.307 0.000 0.749 126 L CB -1.666 40.045 42.059 -0.579 0.000 0.890 126 L HN 0.513 nan 8.230 nan 0.000 0.431 127 G N -1.818 107.004 108.800 0.036 0.000 2.469 127 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 127 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 127 G C 1.444 176.309 174.900 -0.059 0.000 1.150 127 G CA 1.343 46.421 45.100 -0.037 0.000 0.763 127 G HN 0.462 nan 8.290 nan 0.000 0.561 128 T N 1.259 115.806 114.554 -0.010 0.000 2.699 128 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 128 T C 2.339 177.035 174.700 -0.007 0.000 1.036 128 T CA 0.991 63.090 62.100 -0.002 0.000 1.147 128 T CB -0.186 68.683 68.868 0.001 0.000 0.862 128 T HN 0.170 nan 8.240 nan 0.000 0.446 129 L N 0.152 121.358 121.223 -0.027 0.000 2.217 129 L HA 0.091 4.430 4.340 -0.000 0.000 0.211 129 L C 2.047 178.920 176.870 0.005 0.000 1.107 129 L CA 0.822 55.686 54.840 0.040 0.000 0.783 129 L CB -0.353 41.785 42.059 0.132 0.000 0.919 129 L HN 0.280 nan 8.230 nan 0.000 0.442 130 L N -0.794 120.334 121.223 -0.157 0.000 2.554 130 L HA 0.135 4.474 4.340 -0.000 0.000 0.226 130 L C 1.434 178.254 176.870 -0.085 0.000 1.137 130 L CA 0.656 55.371 54.840 -0.208 0.000 0.863 130 L CB -0.213 41.617 42.059 -0.382 0.000 0.985 130 L HN 0.449 nan 8.230 nan 0.000 0.451 131 G N -0.447 108.336 108.800 -0.028 0.000 2.179 131 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 131 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 131 G C 0.481 175.406 174.900 0.042 0.000 0.990 131 G CA -0.349 44.770 45.100 0.030 0.000 0.646 131 G HN 0.479 nan 8.290 nan 0.000 0.517 132 G N -0.541 108.244 108.800 -0.025 0.000 2.476 132 G HA2 0.629 4.589 3.960 -0.000 0.000 0.269 132 G HA3 0.629 4.589 3.960 -0.000 0.000 0.269 132 G C 0.139 175.033 174.900 -0.010 0.000 1.195 132 G CA 0.244 45.297 45.100 -0.078 0.000 0.843 132 G HN 1.282 nan 8.290 nan 0.000 0.545 133 H N -1.859 117.203 119.070 -0.014 0.000 3.182 133 H HA 0.328 4.884 4.556 -0.000 0.000 0.254 133 H C 0.368 175.684 175.328 -0.021 0.000 1.197 133 H CA -0.641 55.398 56.048 -0.017 0.000 1.061 133 H CB -0.131 29.629 29.762 -0.003 0.000 1.722 133 H HN 0.336 nan 8.280 nan 0.000 0.662 134 K N 1.138 121.465 120.400 -0.121 0.000 2.276 134 K HA 0.096 4.416 4.320 -0.000 0.000 0.259 134 K C 0.176 176.743 176.600 -0.054 0.000 1.001 134 K CA 0.188 56.436 56.287 -0.066 0.000 0.927 134 K CB 1.002 33.447 32.500 -0.090 0.000 0.969 134 K HN 0.469 nan 8.250 nan 0.000 0.490 135 E N 0.722 120.898 120.200 -0.041 0.000 2.511 135 E HA -0.031 4.319 4.350 -0.000 0.000 0.209 135 E C -0.128 176.431 176.600 -0.068 0.000 0.986 135 E CA 0.014 56.383 56.400 -0.051 0.000 0.974 135 E CB 0.681 30.366 29.700 -0.025 0.000 1.030 135 E HN 0.521 nan 8.360 nan 0.000 0.490 136 Q N 0.266 120.027 119.800 -0.064 0.000 2.522 136 Q HA 0.512 4.851 4.340 -0.000 0.000 0.285 136 Q C -1.058 174.907 176.000 -0.059 0.000 0.982 136 Q CA -0.991 54.773 55.803 -0.066 0.000 0.805 136 Q CB 2.050 30.760 28.738 -0.047 0.000 1.457 136 Q HN -0.022 nan 8.270 nan 0.000 0.394 137 V N -2.317 117.564 119.914 -0.055 0.000 2.962 137 V HA 0.600 4.719 4.120 -0.000 0.000 0.313 137 V C -0.597 175.490 176.094 -0.011 0.000 1.099 137 V CA -0.960 61.317 62.300 -0.038 0.000 0.971 137 V CB 1.879 33.661 31.823 -0.068 0.000 1.028 137 V HN 0.867 nan 8.190 nan 0.000 0.430 138 E N 1.831 122.038 120.200 0.012 0.000 2.313 138 E HA 0.563 4.913 4.350 -0.000 0.000 0.276 138 E C -0.533 176.087 176.600 0.033 0.000 1.031 138 E CA -0.438 55.973 56.400 0.018 0.000 0.857 138 E CB 2.063 31.776 29.700 0.020 0.000 1.040 138 E HN 0.901 nan 8.360 nan 0.000 0.408 139 V N -0.740 119.206 119.914 0.053 0.000 2.914 139 V HA 0.929 5.048 4.120 -0.000 0.000 0.314 139 V C 0.052 176.241 176.094 0.158 0.000 1.084 139 V CA -0.621 61.739 62.300 0.100 0.000 0.963 139 V CB 1.784 33.706 31.823 0.164 0.000 1.025 139 V HN 0.726 nan 8.190 nan 0.000 0.432 140 G N 0.383 109.200 108.800 0.029 0.000 3.176 140 G HA2 0.780 4.740 3.960 -0.000 0.000 0.272 140 G HA3 0.780 4.740 3.960 -0.000 0.000 0.272 140 G C -1.502 173.205 174.900 -0.322 0.000 1.349 140 G CA -0.611 44.438 45.100 -0.085 0.000 0.953 140 G HN 1.364 nan 8.290 nan 0.000 0.559 141 V N -1.099 118.561 119.914 -0.422 0.000 3.114 141 V HA 0.779 4.898 4.120 -0.000 0.000 0.308 141 V C -0.924 174.939 176.094 -0.385 0.000 1.168 141 V CA -0.647 61.327 62.300 -0.545 0.000 1.015 141 V CB 2.399 33.668 31.823 -0.922 0.000 1.050 141 V HN 0.842 nan 8.190 nan 0.000 0.433 142 S N 4.506 120.017 115.700 -0.315 0.000 2.596 142 S HA 0.750 5.220 4.470 -0.000 0.000 0.318 142 S C -1.119 173.366 174.600 -0.193 0.000 1.097 142 S CA -0.500 57.582 58.200 -0.195 0.000 1.080 142 S CB 0.517 63.663 63.200 -0.091 0.000 0.991 142 S HN 0.543 nan 8.310 nan 0.000 0.471 143 L N 3.750 124.873 121.223 -0.167 0.000 2.346 143 L HA 0.653 4.993 4.340 -0.000 0.000 0.276 143 L C 1.176 178.026 176.870 -0.034 0.000 1.006 143 L CA -1.022 53.740 54.840 -0.128 0.000 0.817 143 L CB 1.544 43.511 42.059 -0.153 0.000 1.272 143 L HN 0.709 nan 8.230 nan 0.000 0.421 144 G N 2.605 111.403 108.800 -0.004 0.000 2.570 144 G HA2 0.304 4.264 3.960 -0.000 0.000 0.276 144 G HA3 0.304 4.264 3.960 -0.000 0.000 0.276 144 G C 0.186 175.133 174.900 0.078 0.000 1.346 144 G CA -0.744 44.379 45.100 0.037 0.000 1.034 144 G HN 0.376 nan 8.290 nan 0.000 0.512 145 I N 0.540 121.170 120.570 0.101 0.000 2.588 145 I HA 0.121 4.291 4.170 -0.000 0.000 0.283 145 I C 0.112 176.289 176.117 0.100 0.000 1.119 145 I CA -0.082 61.313 61.300 0.158 0.000 1.419 145 I CB 0.959 39.028 38.000 0.116 0.000 1.394 145 I HN 0.285 nan 8.210 nan 0.000 0.562 146 Q N 3.460 123.362 119.800 0.171 0.000 2.204 146 Q HA 0.476 4.816 4.340 -0.000 0.000 0.254 146 Q C 0.906 176.874 176.000 -0.054 0.000 0.981 146 Q CA -0.536 55.322 55.803 0.091 0.000 0.897 146 Q CB 1.538 30.375 28.738 0.164 0.000 1.273 146 Q HN 0.724 nan 8.270 nan 0.000 0.464 147 A N 1.164 123.944 122.820 -0.066 0.000 1.917 147 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 147 A C 0.234 177.683 177.584 -0.225 0.000 1.182 147 A CA 2.506 54.454 52.037 -0.148 0.000 0.633 147 A CB -0.300 18.655 19.000 -0.074 0.000 0.819 147 A HN 0.813 nan 8.150 nan 0.000 0.448 148 D N -4.817 115.568 120.400 -0.025 0.000 2.851 148 D HA 0.209 4.849 4.640 -0.000 0.000 0.339 148 D C 0.260 176.802 176.300 0.402 0.000 1.347 148 D CA -0.122 53.957 54.000 0.132 0.000 0.888 148 D CB -0.330 40.510 40.800 0.068 0.000 1.431 148 D HN 0.041 nan 8.370 nan 0.000 0.509 149 E N -0.888 119.559 120.200 0.413 0.000 2.051 149 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 149 E C 1.453 178.141 176.600 0.146 0.000 0.991 149 E CA 1.306 57.849 56.400 0.239 0.000 0.799 149 E CB -0.051 29.734 29.700 0.142 0.000 0.748 149 E HN 0.360 nan 8.360 nan 0.000 0.449 150 Q N 0.916 120.786 119.800 0.117 0.000 2.050 150 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 150 Q C 2.036 178.091 176.000 0.093 0.000 0.980 150 Q CA 1.984 57.838 55.803 0.084 0.000 0.840 150 Q CB -0.512 28.262 28.738 0.060 0.000 0.898 150 Q HN 0.270 nan 8.270 nan 0.000 0.424 151 A N -0.705 122.172 122.820 0.095 0.000 1.908 151 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 151 A C 2.296 179.945 177.584 0.109 0.000 1.181 151 A CA 2.110 54.198 52.037 0.086 0.000 0.627 151 A CB -1.219 17.821 19.000 0.066 0.000 0.818 151 A HN 0.498 nan 8.150 nan 0.000 0.445 152 T N -0.068 114.574 114.554 0.147 0.000 2.544 152 T HA -0.202 4.148 4.350 -0.000 0.000 0.264 152 T C 1.869 176.643 174.700 0.123 0.000 1.096 152 T CA 2.078 64.264 62.100 0.143 0.000 1.181 152 T CB -0.766 68.201 68.868 0.165 0.000 0.864 152 T HN 0.154 nan 8.240 nan 0.000 0.415 153 V N 2.229 122.223 119.914 0.133 0.000 2.370 153 V HA -0.237 3.883 4.120 -0.000 0.000 0.252 153 V C 2.366 178.581 176.094 0.202 0.000 1.068 153 V CA 1.998 64.412 62.300 0.190 0.000 1.061 153 V CB -0.727 31.186 31.823 0.149 0.000 0.656 153 V HN 0.473 nan 8.190 nan 0.000 0.455 154 D N -0.348 120.133 120.400 0.136 0.000 2.097 154 D HA -0.148 4.491 4.640 -0.000 0.000 0.195 154 D C 1.935 178.298 176.300 0.104 0.000 0.989 154 D CA 1.167 55.234 54.000 0.112 0.000 0.827 154 D CB -0.295 40.550 40.800 0.074 0.000 0.966 154 D HN 0.379 nan 8.370 nan 0.000 0.456 155 L N 0.489 121.776 121.223 0.106 0.000 2.217 155 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 155 L C 2.086 179.077 176.870 0.202 0.000 1.107 155 L CA 0.962 55.879 54.840 0.129 0.000 0.783 155 L CB -0.125 42.009 42.059 0.124 0.000 0.919 155 L HN -0.152 nan 8.230 nan 0.000 0.442 156 V N -0.210 119.771 119.914 0.112 0.000 2.323 156 V HA -0.248 3.872 4.120 -0.000 0.000 0.244 156 V C 2.706 178.745 176.094 -0.091 0.000 1.041 156 V CA 1.868 64.164 62.300 -0.006 0.000 1.025 156 V CB -0.694 31.067 31.823 -0.102 0.000 0.656 156 V HN 0.523 nan 8.190 nan 0.000 0.451 157 R N 0.342 120.867 120.500 0.043 0.000 2.112 157 R HA -0.235 4.105 4.340 -0.000 0.000 0.242 157 R C 2.520 178.837 176.300 0.028 0.000 1.137 157 R CA 2.041 58.225 56.100 0.141 0.000 0.944 157 R CB -0.329 30.147 30.300 0.294 0.000 0.857 157 R HN 0.406 nan 8.270 nan 0.000 0.435 158 R N -0.873 119.623 120.500 -0.007 0.000 2.119 158 R HA -0.203 4.136 4.340 -0.000 0.000 0.246 158 R C 2.179 178.355 176.300 -0.208 0.000 1.146 158 R CA 2.276 58.293 56.100 -0.137 0.000 0.962 158 R CB -0.610 29.541 30.300 -0.248 0.000 0.863 158 R HN 0.562 nan 8.270 nan 0.000 0.442 159 H N -0.651 118.406 119.070 -0.022 0.000 2.415 159 H HA 0.019 4.575 4.556 -0.000 0.000 0.297 159 H C 2.157 177.501 175.328 0.027 0.000 1.048 159 H CA 0.949 57.020 56.048 0.039 0.000 1.365 159 H CB 0.011 29.756 29.762 -0.029 0.000 1.421 159 H HN -0.102 nan 8.280 nan 0.000 0.533 160 V N 1.066 120.976 119.914 -0.007 0.000 2.392 160 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 160 V C 1.768 177.850 176.094 -0.018 0.000 1.059 160 V CA 1.960 64.207 62.300 -0.088 0.000 1.051 160 V CB -0.361 31.257 31.823 -0.342 0.000 0.658 160 V HN 0.518 nan 8.190 nan 0.000 0.455 161 E N -0.541 119.656 120.200 -0.006 0.000 2.347 161 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 161 E C 2.078 178.655 176.600 -0.038 0.000 1.008 161 E CA 0.406 56.803 56.400 -0.006 0.000 0.852 161 E CB -0.046 29.655 29.700 0.002 0.000 0.783 161 E HN 0.504 nan 8.360 nan 0.000 0.505 162 Q N -0.661 119.114 119.800 -0.041 0.000 2.451 162 Q HA 0.026 4.366 4.340 -0.000 0.000 0.206 162 Q C 1.303 177.183 176.000 -0.200 0.000 0.947 162 Q CA 0.792 56.530 55.803 -0.109 0.000 0.937 162 Q CB 0.722 29.425 28.738 -0.059 0.000 1.025 162 Q HN 0.430 nan 8.270 nan 0.000 0.511 163 G N 0.031 108.763 108.800 -0.114 0.000 2.162 163 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 163 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 163 G C -0.106 174.713 174.900 -0.135 0.000 0.976 163 G CA 0.059 45.085 45.100 -0.124 0.000 0.655 163 G HN 0.364 nan 8.290 nan 0.000 0.533 164 Y N -0.078 120.197 120.300 -0.041 0.000 2.788 164 Y HA 0.213 4.763 4.550 -0.000 0.000 0.341 164 Y C 2.067 177.924 175.900 -0.072 0.000 1.258 164 Y CA 0.732 58.800 58.100 -0.052 0.000 1.503 164 Y CB 0.394 38.825 38.460 -0.049 0.000 1.325 164 Y HN 0.114 nan 8.280 nan 0.000 0.614 165 R N 1.199 121.761 120.500 0.103 0.000 2.317 165 R HA 0.139 4.479 4.340 -0.000 0.000 0.208 165 R C 0.117 176.399 176.300 -0.030 0.000 0.914 165 R CA 0.148 56.256 56.100 0.014 0.000 1.060 165 R CB 0.398 30.698 30.300 -0.000 0.000 1.015 165 R HN 0.374 nan 8.270 nan 0.000 0.498 166 R N 0.992 121.460 120.500 -0.053 0.000 2.561 166 R HA 0.230 4.570 4.340 -0.000 0.000 0.266 166 R C -1.839 174.366 176.300 -0.158 0.000 1.091 166 R CA -0.490 55.534 56.100 -0.126 0.000 0.927 166 R CB 1.342 31.512 30.300 -0.215 0.000 1.240 166 R HN -0.062 nan 8.270 nan 0.000 0.449 167 I N 3.797 124.271 120.570 -0.160 0.000 2.362 167 I HA 0.335 4.505 4.170 -0.000 0.000 0.289 167 I C 0.047 176.063 176.117 -0.168 0.000 0.994 167 I CA -0.673 60.514 61.300 -0.188 0.000 1.158 167 I CB 1.564 39.455 38.000 -0.183 0.000 1.315 167 I HN 0.474 nan 8.210 nan 0.000 0.451 168 K N 7.712 128.002 120.400 -0.183 0.000 2.293 168 K HA 0.560 4.879 4.320 -0.000 0.000 0.267 168 K C -1.255 175.293 176.600 -0.088 0.000 1.010 168 K CA -0.499 55.716 56.287 -0.120 0.000 0.875 168 K CB 0.919 33.352 32.500 -0.111 0.000 1.106 168 K HN 0.542 nan 8.250 nan 0.000 0.450 169 L N 4.307 125.498 121.223 -0.054 0.000 2.265 169 L HA 0.331 4.671 4.340 -0.000 0.000 0.288 169 L C 0.171 177.051 176.870 0.018 0.000 1.058 169 L CA -0.875 53.950 54.840 -0.026 0.000 0.809 169 L CB 1.014 43.052 42.059 -0.035 0.000 1.179 169 L HN 0.589 nan 8.230 nan 0.000 0.429 170 K N 4.530 124.957 120.400 0.045 0.000 2.436 170 K HA 0.397 4.717 4.320 -0.000 0.000 0.275 170 K C -0.523 176.150 176.600 0.122 0.000 0.999 170 K CA 0.088 56.429 56.287 0.090 0.000 0.980 170 K CB 0.508 33.066 32.500 0.098 0.000 0.919 170 K HN 0.581 nan 8.250 nan 0.000 0.484 171 I N -0.594 120.068 120.570 0.153 0.000 3.074 171 I HA 0.612 4.782 4.170 -0.000 0.000 0.310 171 I C -1.484 174.792 176.117 0.265 0.000 1.153 171 I CA -1.221 60.197 61.300 0.196 0.000 0.993 171 I CB 2.422 40.503 38.000 0.136 0.000 1.237 171 I HN 0.661 nan 8.210 nan 0.000 0.443 172 K N 1.370 121.937 120.400 0.277 0.000 2.509 172 K HA 0.686 5.006 4.320 -0.000 0.000 0.266 172 K C -3.161 173.490 176.600 0.085 0.000 0.987 172 K CA -1.963 54.417 56.287 0.155 0.000 0.868 172 K CB 1.298 33.856 32.500 0.095 0.000 1.421 172 K HN 0.215 nan 8.250 nan 0.000 0.444 173 P HA -0.053 nan 4.420 nan 0.000 0.261 173 P C 0.640 177.956 177.300 0.026 0.000 1.173 173 P CA 1.763 64.735 63.100 -0.212 0.000 0.760 173 P CB 0.387 31.890 31.700 -0.328 0.000 0.783 174 G N 1.900 110.764 108.800 0.106 0.000 2.268 174 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.240 174 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.240 174 G C -0.347 174.734 174.900 0.301 0.000 1.010 174 G CA -0.203 44.991 45.100 0.158 0.000 0.618 174 G HN 0.599 nan 8.290 nan 0.000 0.516 175 W N 2.086 123.413 121.300 0.045 0.000 2.492 175 W HA 0.486 5.145 4.660 -0.000 0.000 0.287 175 W C 0.009 176.574 176.519 0.076 0.000 1.008 175 W CA 0.258 57.631 57.345 0.047 0.000 1.557 175 W CB 0.763 30.241 29.460 0.030 0.000 1.419 175 W HN 0.355 nan 8.180 nan 0.000 0.408 176 D N -0.047 120.245 120.400 -0.181 0.000 2.712 176 D HA -0.050 4.590 4.640 -0.000 0.000 0.181 176 D C 1.509 177.643 176.300 -0.276 0.000 1.434 176 D CA 0.267 54.162 54.000 -0.175 0.000 1.446 176 D CB 0.087 40.920 40.800 0.055 0.000 1.609 176 D HN -0.036 nan 8.370 nan 0.000 0.340 177 V N 0.926 120.734 119.914 -0.176 0.000 2.392 177 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 177 V C 2.308 178.200 176.094 -0.336 0.000 1.059 177 V CA 2.273 64.468 62.300 -0.175 0.000 1.051 177 V CB -1.001 30.799 31.823 -0.039 0.000 0.658 177 V HN 0.137 nan 8.190 nan 0.000 0.455 178 Q N 0.099 119.626 119.800 -0.455 0.000 2.016 178 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 178 Q C 0.092 175.719 176.000 -0.621 0.000 0.978 178 Q CA 1.985 57.468 55.803 -0.533 0.000 0.833 178 Q CB -1.733 26.648 28.738 -0.595 0.000 0.895 178 Q HN 0.518 nan 8.270 nan 0.000 0.427 179 P HA -0.128 nan 4.420 nan 0.000 0.218 179 P C 1.043 178.133 177.300 -0.349 0.000 1.148 179 P CA 1.027 63.794 63.100 -0.555 0.000 0.822 179 P CB 0.082 31.418 31.700 -0.606 0.000 0.784 180 V N 0.048 119.724 119.914 -0.396 0.000 2.302 180 V HA -0.145 3.975 4.120 -0.000 0.000 0.243 180 V C 2.771 178.547 176.094 -0.530 0.000 1.036 180 V CA 1.630 63.716 62.300 -0.356 0.000 1.020 180 V CB -0.973 30.670 31.823 -0.299 0.000 0.657 180 V HN 0.030 nan 8.190 nan 0.000 0.453 181 R N 0.661 120.709 120.500 -0.753 0.000 2.083 181 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 181 R C 2.241 178.314 176.300 -0.378 0.000 1.137 181 R CA 2.010 57.578 56.100 -0.887 0.000 0.951 181 R CB -0.530 29.408 30.300 -0.604 0.000 0.851 181 R HN 0.455 nan 8.270 nan 0.000 0.434 182 A N 0.093 122.760 122.820 -0.255 0.000 1.877 182 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 182 A C 2.266 179.815 177.584 -0.059 0.000 1.186 182 A CA 2.066 54.032 52.037 -0.119 0.000 0.620 182 A CB -1.071 17.883 19.000 -0.077 0.000 0.822 182 A HN 0.503 nan 8.150 nan 0.000 0.443 183 T N -0.671 113.854 114.554 -0.048 0.000 2.684 183 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 183 T C 2.141 176.915 174.700 0.123 0.000 1.036 183 T CA 1.873 64.025 62.100 0.087 0.000 1.148 183 T CB -0.241 68.651 68.868 0.041 0.000 0.863 183 T HN 0.489 nan 8.240 nan 0.000 0.436 184 R N 1.305 121.805 120.500 0.001 0.000 2.120 184 R HA -0.016 4.324 4.340 -0.000 0.000 0.234 184 R C 2.108 178.439 176.300 0.052 0.000 1.123 184 R CA 1.552 57.684 56.100 0.055 0.000 0.975 184 R CB -0.471 29.861 30.300 0.054 0.000 0.866 184 R HN 0.472 nan 8.270 nan 0.000 0.446 185 E N -0.539 119.659 120.200 -0.003 0.000 2.031 185 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 185 E C 1.864 178.404 176.600 -0.100 0.000 0.994 185 E CA 1.672 58.058 56.400 -0.024 0.000 0.800 185 E CB -0.233 29.449 29.700 -0.030 0.000 0.752 185 E HN 0.469 nan 8.360 nan 0.000 0.447 186 A N 0.212 122.927 122.820 -0.175 0.000 1.933 186 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 186 A C 0.564 177.671 177.584 -0.794 0.000 1.175 186 A CA 1.066 52.793 52.037 -0.518 0.000 0.628 186 A CB -0.134 18.482 19.000 -0.641 0.000 0.814 186 A HN 0.221 nan 8.150 nan 0.000 0.444 187 F N -0.847 119.104 119.950 0.002 0.000 2.691 187 F HA 0.341 4.868 4.527 -0.000 0.000 0.371 187 F C -1.893 173.914 175.800 0.012 0.000 1.159 187 F CA -1.960 56.044 58.000 0.006 0.000 1.174 187 F CB 1.636 40.639 39.000 0.005 0.000 1.419 187 F HN 0.018 nan 8.300 nan 0.000 0.514 188 P HA -0.055 nan 4.420 nan 0.000 0.229 188 P C 0.322 177.677 177.300 0.092 0.000 1.160 188 P CA 1.246 64.399 63.100 0.088 0.000 0.777 188 P CB 0.606 32.333 31.700 0.046 0.000 0.814 189 D N -0.338 120.128 120.400 0.110 0.000 2.454 189 D HA 0.107 4.747 4.640 -0.000 0.000 0.214 189 D C 1.316 177.661 176.300 0.074 0.000 1.088 189 D CA -0.102 53.947 54.000 0.081 0.000 0.855 189 D CB 0.631 41.472 40.800 0.068 0.000 1.025 189 D HN 0.282 nan 8.370 nan 0.000 0.502 190 I N -0.383 120.245 120.570 0.095 0.000 2.892 190 I HA 0.104 4.274 4.170 -0.000 0.000 0.287 190 I C 0.497 176.624 176.117 0.017 0.000 1.205 190 I CA -0.441 60.882 61.300 0.038 0.000 1.409 190 I CB 0.860 38.852 38.000 -0.014 0.000 1.367 190 I HN -0.334 nan 8.210 nan 0.000 0.597 191 R N 4.677 125.171 120.500 -0.010 0.000 2.296 191 R HA 0.397 4.737 4.340 -0.000 0.000 0.323 191 R C -1.311 174.962 176.300 -0.045 0.000 1.067 191 R CA -0.544 55.543 56.100 -0.022 0.000 0.946 191 R CB 0.604 30.884 30.300 -0.034 0.000 0.991 191 R HN 0.673 nan 8.270 nan 0.000 0.448 192 L N 4.510 125.717 121.223 -0.027 0.000 2.356 192 L HA 0.442 4.782 4.340 -0.000 0.000 0.277 192 L C -0.602 176.252 176.870 -0.026 0.000 0.996 192 L CA -0.095 54.722 54.840 -0.038 0.000 0.822 192 L CB 2.071 44.121 42.059 -0.015 0.000 1.256 192 L HN 0.794 nan 8.230 nan 0.000 0.413 193 T N 2.040 116.568 114.554 -0.043 0.000 2.942 193 T HA 0.855 5.205 4.350 -0.000 0.000 0.289 193 T C -0.301 174.397 174.700 -0.002 0.000 1.044 193 T CA -0.350 61.748 62.100 -0.004 0.000 1.023 193 T CB 1.647 70.528 68.868 0.021 0.000 1.123 193 T HN 0.737 nan 8.240 nan 0.000 0.512 194 V N -1.112 118.816 119.914 0.024 0.000 2.919 194 V HA 0.758 4.878 4.120 -0.000 0.000 0.316 194 V C -1.098 175.037 176.094 0.069 0.000 1.077 194 V CA -0.975 61.341 62.300 0.026 0.000 0.977 194 V CB 1.794 33.619 31.823 0.003 0.000 1.039 194 V HN 0.973 nan 8.190 nan 0.000 0.441 195 D N 1.995 122.444 120.400 0.082 0.000 2.441 195 D HA 0.663 5.303 4.640 -0.000 0.000 0.231 195 D C 0.585 176.963 176.300 0.131 0.000 1.073 195 D CA 0.045 54.117 54.000 0.119 0.000 0.850 195 D CB 1.727 42.600 40.800 0.122 0.000 1.062 195 D HN 0.872 nan 8.370 nan 0.000 0.524 196 A N 4.075 126.975 122.820 0.134 0.000 2.251 196 A HA 0.029 4.349 4.320 -0.000 0.000 0.209 196 A C 1.145 178.895 177.584 0.277 0.000 1.187 196 A CA 0.074 52.232 52.037 0.201 0.000 0.823 196 A CB -0.408 18.617 19.000 0.041 0.000 0.846 196 A HN 0.660 nan 8.150 nan 0.000 0.486 197 N N -0.200 118.624 118.700 0.207 0.000 2.727 197 N HA -0.196 4.543 4.740 -0.000 0.000 0.249 197 N C 0.134 175.761 175.510 0.196 0.000 1.048 197 N CA 1.011 54.173 53.050 0.187 0.000 0.714 197 N CB -1.989 36.596 38.487 0.162 0.000 0.959 197 N HN 0.445 nan 8.380 nan 0.000 0.544 198 S N -2.770 113.063 115.700 0.223 0.000 3.462 198 S HA -0.244 4.226 4.470 -0.000 0.000 0.370 198 S C 0.969 175.681 174.600 0.187 0.000 1.028 198 S CA 0.988 59.319 58.200 0.219 0.000 1.119 198 S CB -1.602 61.729 63.200 0.218 0.000 0.906 198 S HN 0.901 nan 8.310 nan 0.000 0.471 199 A N -1.161 121.798 122.820 0.232 0.000 2.423 199 A HA 0.575 4.895 4.320 -0.000 0.000 0.246 199 A C 0.108 177.584 177.584 -0.179 0.000 1.278 199 A CA 0.089 52.142 52.037 0.027 0.000 0.903 199 A CB 0.251 19.223 19.000 -0.047 0.000 0.997 199 A HN 0.510 nan 8.150 nan 0.000 0.510 200 Y N -1.035 119.282 120.300 0.028 0.000 2.633 200 Y HA 0.613 5.163 4.550 -0.000 0.000 0.339 200 Y C 0.698 176.588 175.900 -0.018 0.000 1.045 200 Y CA -0.406 57.698 58.100 0.007 0.000 1.098 200 Y CB 1.799 40.260 38.460 0.001 0.000 1.296 200 Y HN 0.137 nan 8.280 nan 0.000 0.494 201 T N -2.582 112.057 114.554 0.141 0.000 2.804 201 T HA 0.389 4.739 4.350 -0.000 0.000 0.290 201 T C 0.439 175.164 174.700 0.041 0.000 1.099 201 T CA -0.937 61.193 62.100 0.051 0.000 1.011 201 T CB 0.809 69.689 68.868 0.020 0.000 1.291 201 T HN 0.548 nan 8.240 nan 0.000 0.523 202 L N 0.457 121.679 121.223 -0.001 0.000 2.265 202 L HA 0.017 4.357 4.340 -0.000 0.000 0.215 202 L C 2.937 179.814 176.870 0.010 0.000 1.117 202 L CA 1.279 56.113 54.840 -0.010 0.000 0.782 202 L CB -0.735 41.309 42.059 -0.026 0.000 0.914 202 L HN 0.942 nan 8.230 nan 0.000 0.441 203 A N -0.655 122.178 122.820 0.021 0.000 2.125 203 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 203 A C 1.720 179.333 177.584 0.049 0.000 1.156 203 A CA 1.436 53.489 52.037 0.027 0.000 0.671 203 A CB -0.297 18.716 19.000 0.022 0.000 0.794 203 A HN 0.356 nan 8.150 nan 0.000 0.459 204 D N -0.175 120.275 120.400 0.083 0.000 2.340 204 D HA 0.207 4.847 4.640 -0.000 0.000 0.220 204 D C 1.996 178.343 176.300 0.079 0.000 1.039 204 D CA 0.783 54.864 54.000 0.135 0.000 0.866 204 D CB 0.028 41.025 40.800 0.329 0.000 0.913 204 D HN 0.431 nan 8.370 nan 0.000 0.523 205 A N 1.258 124.098 122.820 0.034 0.000 1.903 205 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 205 A C 2.353 179.939 177.584 0.004 0.000 1.191 205 A CA 2.257 54.295 52.037 0.001 0.000 0.638 205 A CB -1.115 17.881 19.000 -0.007 0.000 0.823 205 A HN 0.327 nan 8.150 nan 0.000 0.451 206 G N -0.904 107.906 108.800 0.017 0.000 2.404 206 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 206 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 206 G C 1.720 176.636 174.900 0.026 0.000 1.174 206 G CA 0.963 46.073 45.100 0.017 0.000 0.780 206 G HN 0.583 nan 8.290 nan 0.000 0.537 207 R N -0.078 120.451 120.500 0.048 0.000 2.091 207 R HA 0.020 4.360 4.340 -0.000 0.000 0.238 207 R C 2.583 178.907 176.300 0.040 0.000 1.136 207 R CA 1.170 57.310 56.100 0.068 0.000 0.959 207 R CB -0.500 29.872 30.300 0.120 0.000 0.856 207 R HN 0.335 nan 8.270 nan 0.000 0.437 208 L N -0.229 120.994 121.223 -0.000 0.000 2.156 208 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 208 L C 2.624 179.473 176.870 -0.035 0.000 1.095 208 L CA 0.841 55.639 54.840 -0.070 0.000 0.770 208 L CB -0.304 41.651 42.059 -0.173 0.000 0.914 208 L HN 0.137 nan 8.230 nan 0.000 0.439 209 R N 0.375 120.864 120.500 -0.019 0.000 2.159 209 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 209 R C 2.145 178.442 176.300 -0.006 0.000 1.131 209 R CA 1.324 57.415 56.100 -0.015 0.000 0.982 209 R CB -0.050 30.243 30.300 -0.012 0.000 0.868 209 R HN 0.425 nan 8.270 nan 0.000 0.453 210 Q N -0.021 119.787 119.800 0.014 0.000 2.364 210 Q HA -0.093 4.247 4.340 -0.000 0.000 0.207 210 Q C 1.856 177.907 176.000 0.085 0.000 0.970 210 Q CA 0.953 56.778 55.803 0.036 0.000 0.888 210 Q CB 0.078 28.852 28.738 0.060 0.000 0.951 210 Q HN 0.417 nan 8.270 nan 0.000 0.469 211 L N 0.035 121.307 121.223 0.082 0.000 2.217 211 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 211 L C 1.501 178.430 176.870 0.097 0.000 1.107 211 L CA 0.470 55.405 54.840 0.158 0.000 0.783 211 L CB -0.363 41.737 42.059 0.068 0.000 0.919 211 L HN 0.128 nan 8.230 nan 0.000 0.442 212 D N 1.104 121.504 120.400 0.001 0.000 2.157 212 D HA -0.276 4.364 4.640 -0.000 0.000 0.191 212 D C 1.934 178.174 176.300 -0.100 0.000 1.004 212 D CA 1.918 55.895 54.000 -0.038 0.000 0.854 212 D CB -0.123 40.646 40.800 -0.051 0.000 0.936 212 D HN 0.605 nan 8.370 nan 0.000 0.446 213 E N -0.802 119.247 120.200 -0.251 0.000 2.515 213 E HA -0.172 4.178 4.350 -0.000 0.000 0.201 213 E C 0.640 176.945 176.600 -0.492 0.000 1.071 213 E CA 0.590 56.749 56.400 -0.403 0.000 0.880 213 E CB -0.302 29.076 29.700 -0.536 0.000 0.828 213 E HN 0.396 nan 8.360 nan 0.000 0.540 214 Y N 1.233 121.524 120.300 -0.015 0.000 2.524 214 Y HA 0.154 4.703 4.550 -0.000 0.000 0.266 214 Y C -0.171 175.725 175.900 -0.006 0.000 1.180 214 Y CA -0.658 57.434 58.100 -0.012 0.000 1.244 214 Y CB 0.148 38.595 38.460 -0.020 0.000 1.125 214 Y HN -0.059 nan 8.280 nan 0.000 0.524 215 D N 0.525 120.966 120.400 0.068 0.000 2.702 215 D HA -0.224 4.416 4.640 -0.000 0.000 0.233 215 D C -0.274 176.063 176.300 0.061 0.000 1.164 215 D CA 0.672 54.702 54.000 0.050 0.000 0.638 215 D CB -1.267 39.557 40.800 0.040 0.000 1.041 215 D HN 0.362 nan 8.370 nan 0.000 0.422 216 L N -0.154 121.110 121.223 0.068 0.000 2.485 216 L HA 0.019 4.359 4.340 -0.000 0.000 0.275 216 L C 2.201 179.095 176.870 0.040 0.000 1.207 216 L CA 0.057 54.926 54.840 0.050 0.000 0.855 216 L CB 0.301 42.387 42.059 0.046 0.000 1.114 216 L HN -0.085 nan 8.230 nan 0.000 0.485 217 T N 0.530 115.106 114.554 0.037 0.000 2.867 217 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 217 T C 0.350 175.089 174.700 0.066 0.000 1.057 217 T CA 1.191 63.319 62.100 0.048 0.000 1.136 217 T CB -0.154 68.740 68.868 0.044 0.000 0.874 217 T HN 0.871 nan 8.240 nan 0.000 0.466 218 C N -0.926 118.416 119.300 0.071 0.000 3.231 218 C HA 0.668 5.127 4.460 -0.000 0.000 0.343 218 C C -1.654 173.376 174.990 0.066 0.000 1.349 218 C CA -2.031 57.032 59.018 0.075 0.000 1.209 218 C CB 0.349 28.158 27.740 0.114 0.000 1.475 218 C HN 0.247 nan 8.230 nan 0.000 0.460 219 I N 1.746 122.346 120.570 0.050 0.000 2.362 219 I HA 0.472 4.641 4.170 -0.000 0.000 0.289 219 I C -0.041 176.113 176.117 0.062 0.000 0.994 219 I CA 0.109 61.428 61.300 0.031 0.000 1.158 219 I CB 1.481 39.468 38.000 -0.021 0.000 1.315 219 I HN 0.817 nan 8.210 nan 0.000 0.451 220 E N 6.130 126.383 120.200 0.088 0.000 2.156 220 E HA 0.171 4.521 4.350 -0.000 0.000 0.279 220 E C -0.371 176.299 176.600 0.116 0.000 0.965 220 E CA -0.673 55.793 56.400 0.109 0.000 0.789 220 E CB 0.909 30.711 29.700 0.169 0.000 1.098 220 E HN 0.465 nan 8.360 nan 0.000 0.397 221 Q N 3.796 123.661 119.800 0.107 0.000 2.426 221 Q HA -0.169 4.171 4.340 -0.000 0.000 0.359 221 Q C -1.921 174.251 176.000 0.287 0.000 1.381 221 Q CA 0.639 56.558 55.803 0.193 0.000 1.060 221 Q CB -0.180 28.632 28.738 0.123 0.000 1.253 221 Q HN 0.530 nan 8.270 nan 0.000 0.363 222 P HA -0.138 nan 4.420 nan 0.000 0.219 222 P C 0.257 177.646 177.300 0.148 0.000 1.150 222 P CA 1.164 64.337 63.100 0.122 0.000 0.814 222 P CB 0.265 31.918 31.700 -0.077 0.000 0.787 223 L N -1.247 119.985 121.223 0.016 0.000 2.687 223 L HA 0.614 4.954 4.340 -0.000 0.000 0.252 223 L C 0.839 177.802 176.870 0.154 0.000 1.115 223 L CA -1.654 53.143 54.840 -0.071 0.000 0.893 223 L CB -0.532 41.269 42.059 -0.429 0.000 1.670 223 L HN -0.240 nan 8.230 nan 0.000 0.531 224 A N 0.606 123.473 122.820 0.078 0.000 2.587 224 A HA -0.109 4.211 4.320 -0.000 0.000 0.233 224 A C 0.997 178.628 177.584 0.077 0.000 1.049 224 A CA 0.194 52.264 52.037 0.055 0.000 0.754 224 A CB -0.273 18.675 19.000 -0.087 0.000 0.977 224 A HN 0.912 nan 8.150 nan 0.000 0.509 225 W N 2.544 123.865 121.300 0.035 0.000 2.341 225 W HA -0.173 4.487 4.660 -0.000 0.000 0.283 225 W C 0.031 176.521 176.519 -0.049 0.000 1.215 225 W CA 1.408 58.735 57.345 -0.030 0.000 1.211 225 W CB -0.519 28.882 29.460 -0.099 0.000 1.131 225 W HN 0.764 nan 8.180 nan 0.000 0.552 226 D N 0.132 119.972 120.400 -0.934 0.000 2.424 226 D HA 0.066 4.705 4.640 -0.000 0.000 0.220 226 D C -0.788 175.251 176.300 -0.435 0.000 1.150 226 D CA -0.314 53.138 54.000 -0.913 0.000 0.831 226 D CB -0.649 39.162 40.800 -1.648 0.000 0.981 226 D HN 0.141 nan 8.370 nan 0.000 0.500 227 D N -0.183 120.078 120.400 -0.232 0.000 2.181 227 D HA 0.358 4.998 4.640 -0.000 0.000 0.248 227 D C 0.721 177.012 176.300 -0.014 0.000 1.020 227 D CA -0.641 53.312 54.000 -0.078 0.000 0.891 227 D CB 1.638 42.462 40.800 0.040 0.000 1.187 227 D HN -0.058 nan 8.370 nan 0.000 0.443 228 L N 2.606 123.817 121.223 -0.020 0.000 2.694 228 L HA 0.122 4.462 4.340 -0.000 0.000 0.228 228 L C 1.924 178.812 176.870 0.030 0.000 1.048 228 L CA -0.154 54.677 54.840 -0.016 0.000 0.887 228 L CB 0.090 42.108 42.059 -0.068 0.000 1.265 228 L HN 0.365 nan 8.230 nan 0.000 0.492 229 V N 0.263 120.180 119.914 0.005 0.000 2.427 229 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 229 V C 1.819 177.913 176.094 0.000 0.000 1.051 229 V CA 1.880 64.177 62.300 -0.005 0.000 1.048 229 V CB -0.381 31.429 31.823 -0.021 0.000 0.666 229 V HN 0.390 nan 8.190 nan 0.000 0.456 230 D N -1.275 119.121 120.400 -0.006 0.000 2.234 230 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 230 D C 2.033 178.284 176.300 -0.083 0.000 0.962 230 D CA 0.942 54.909 54.000 -0.056 0.000 0.855 230 D CB -0.191 40.550 40.800 -0.099 0.000 0.951 230 D HN 0.539 nan 8.370 nan 0.000 0.500 231 H N 0.934 119.978 119.070 -0.044 0.000 2.321 231 H HA 0.017 4.573 4.556 -0.000 0.000 0.300 231 H C 2.117 177.419 175.328 -0.043 0.000 1.087 231 H CA 1.677 57.699 56.048 -0.042 0.000 1.319 231 H CB -0.073 29.658 29.762 -0.051 0.000 1.379 231 H HN 0.089 nan 8.280 nan 0.000 0.501 232 A N 0.782 123.644 122.820 0.070 0.000 1.892 232 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 232 A C 2.244 179.828 177.584 0.001 0.000 1.188 232 A CA 2.138 54.186 52.037 0.018 0.000 0.631 232 A CB -0.512 18.488 19.000 0.001 0.000 0.822 232 A HN 0.470 nan 8.150 nan 0.000 0.447 233 E N -0.206 119.988 120.200 -0.010 0.000 2.017 233 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 233 E C 1.819 178.404 176.600 -0.026 0.000 0.997 233 E CA 1.506 57.895 56.400 -0.019 0.000 0.804 233 E CB -0.585 29.099 29.700 -0.026 0.000 0.757 233 E HN 0.384 nan 8.360 nan 0.000 0.448 234 L N 0.648 121.845 121.223 -0.043 0.000 2.013 234 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 234 L C 2.274 179.127 176.870 -0.028 0.000 1.073 234 L CA 2.621 57.431 54.840 -0.050 0.000 0.753 234 L CB -1.182 40.819 42.059 -0.096 0.000 0.890 234 L HN 0.230 nan 8.230 nan 0.000 0.432 235 A N -0.807 122.006 122.820 -0.011 0.000 2.024 235 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 235 A C 2.388 179.967 177.584 -0.008 0.000 1.164 235 A CA 1.718 53.753 52.037 -0.003 0.000 0.643 235 A CB -0.600 18.404 19.000 0.007 0.000 0.806 235 A HN 0.558 nan 8.150 nan 0.000 0.451 236 R N -0.924 119.571 120.500 -0.010 0.000 2.189 236 R HA 0.036 4.375 4.340 -0.000 0.000 0.218 236 R C 1.712 178.006 176.300 -0.011 0.000 1.074 236 R CA 0.855 56.950 56.100 -0.009 0.000 0.991 236 R CB -0.072 30.223 30.300 -0.008 0.000 0.883 236 R HN 0.450 nan 8.270 nan 0.000 0.457 237 R N 0.497 120.989 120.500 -0.014 0.000 2.312 237 R HA 0.207 4.546 4.340 -0.000 0.000 0.205 237 R C 0.781 177.071 176.300 -0.016 0.000 0.904 237 R CA 0.326 56.417 56.100 -0.015 0.000 1.052 237 R CB 0.319 30.609 30.300 -0.016 0.000 1.014 237 R HN 0.232 nan 8.270 nan 0.000 0.503 238 I N -3.771 116.789 120.570 -0.017 0.000 2.969 238 I HA 0.373 4.543 4.170 -0.000 0.000 0.307 238 I C 0.230 176.338 176.117 -0.015 0.000 1.149 238 I CA -1.139 60.150 61.300 -0.019 0.000 1.008 238 I CB 2.497 40.481 38.000 -0.026 0.000 1.232 238 I HN -0.280 nan 8.210 nan 0.000 0.435 239 R N 0.771 121.262 120.500 -0.016 0.000 2.189 239 R HA 0.178 4.518 4.340 -0.000 0.000 0.203 239 R C 0.184 176.480 176.300 -0.007 0.000 1.012 239 R CA 0.384 56.476 56.100 -0.012 0.000 1.015 239 R CB 0.090 30.380 30.300 -0.017 0.000 0.938 239 R HN 0.693 nan 8.270 nan 0.000 0.472 240 T N 3.714 118.264 114.554 -0.007 0.000 2.902 240 T HA 0.088 4.438 4.350 -0.000 0.000 0.301 240 T C -2.342 172.361 174.700 0.006 0.000 1.012 240 T CA -0.871 61.230 62.100 0.002 0.000 1.151 240 T CB 0.933 69.803 68.868 0.003 0.000 0.946 240 T HN -0.067 nan 8.240 nan 0.000 0.542 241 P HA 0.147 nan 4.420 nan 0.000 0.267 241 P C -0.330 176.983 177.300 0.021 0.000 1.200 241 P CA -0.205 62.904 63.100 0.016 0.000 0.772 241 P CB 0.440 32.154 31.700 0.024 0.000 0.855 242 L N 2.211 123.445 121.223 0.017 0.000 2.357 242 L HA 0.436 4.776 4.340 -0.000 0.000 0.273 242 L C 0.401 177.274 176.870 0.006 0.000 1.080 242 L CA -0.571 54.286 54.840 0.029 0.000 0.803 242 L CB 1.308 43.402 42.059 0.057 0.000 1.174 242 L HN 0.454 nan 8.230 nan 0.000 0.443 243 C N 4.643 123.950 119.300 0.011 0.000 2.417 243 C HA 0.626 5.086 4.460 -0.000 0.000 0.324 243 C C -0.189 174.741 174.990 -0.101 0.000 1.240 243 C CA -0.664 58.330 59.018 -0.040 0.000 1.632 243 C CB 0.371 28.129 27.740 0.030 0.000 2.241 243 C HN 0.692 nan 8.230 nan 0.000 0.499 244 L N 5.525 126.641 121.223 -0.179 0.000 2.309 244 L HA 0.465 4.805 4.340 -0.000 0.000 0.282 244 L C 0.360 177.113 176.870 -0.196 0.000 1.036 244 L CA -0.068 54.643 54.840 -0.215 0.000 0.806 244 L CB 1.544 43.454 42.059 -0.247 0.000 1.220 244 L HN 0.794 nan 8.230 nan 0.000 0.429 245 D N 0.828 121.151 120.400 -0.128 0.000 3.074 245 D HA -0.026 4.614 4.640 -0.000 0.000 0.227 245 D C 1.359 177.661 176.300 0.005 0.000 1.553 245 D CA 0.326 54.292 54.000 -0.058 0.000 1.347 245 D CB 0.351 41.168 40.800 0.029 0.000 1.021 245 D HN 0.496 nan 8.370 nan 0.000 0.260 246 E N 0.264 120.483 120.200 0.032 0.000 2.209 246 E HA -0.085 4.265 4.350 -0.000 0.000 0.196 246 E C 1.862 178.506 176.600 0.073 0.000 0.993 246 E CA 1.517 57.937 56.400 0.033 0.000 0.819 246 E CB -0.063 29.660 29.700 0.038 0.000 0.745 246 E HN 0.299 nan 8.360 nan 0.000 0.477 247 S N -0.796 114.892 115.700 -0.019 0.000 2.593 247 S HA 0.080 4.550 4.470 -0.000 0.000 0.217 247 S C 0.673 175.232 174.600 -0.068 0.000 0.966 247 S CA -0.263 57.897 58.200 -0.068 0.000 0.914 247 S CB 0.422 63.525 63.200 -0.162 0.000 0.776 247 S HN -0.057 nan 8.310 nan 0.000 0.523 248 V N 2.182 122.062 119.914 -0.056 0.000 2.259 248 V HA 0.662 4.782 4.120 -0.000 0.000 0.267 248 V C 0.672 176.762 176.094 -0.007 0.000 1.051 248 V CA -0.104 62.165 62.300 -0.052 0.000 0.830 248 V CB 0.277 32.045 31.823 -0.091 0.000 1.080 248 V HN 0.454 nan 8.190 nan 0.000 0.467 249 A N 3.610 126.438 122.820 0.013 0.000 2.430 249 A HA 0.648 4.967 4.320 -0.000 0.000 0.243 249 A C 0.760 178.364 177.584 0.032 0.000 1.254 249 A CA 0.532 52.593 52.037 0.040 0.000 0.914 249 A CB 0.160 19.199 19.000 0.066 0.000 0.998 249 A HN 0.922 nan 8.150 nan 0.000 0.515 250 S N -3.359 112.351 115.700 0.017 0.000 2.636 250 S HA 0.603 5.073 4.470 -0.000 0.000 0.268 250 S C 0.804 175.413 174.600 0.015 0.000 1.159 250 S CA 0.116 58.330 58.200 0.023 0.000 0.815 250 S CB 0.739 63.954 63.200 0.025 0.000 1.130 250 S HN 1.023 nan 8.310 nan 0.000 0.471 251 A N 1.656 124.494 122.820 0.029 0.000 1.902 251 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 251 A C 2.346 179.947 177.584 0.028 0.000 1.181 251 A CA 2.421 54.479 52.037 0.034 0.000 0.623 251 A CB -1.600 17.432 19.000 0.053 0.000 0.818 251 A HN 1.708 nan 8.150 nan 0.000 0.443 252 S N -0.046 115.670 115.700 0.026 0.000 2.423 252 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 252 S C 1.321 175.921 174.600 -0.000 0.000 1.014 252 S CA 1.296 59.509 58.200 0.022 0.000 0.965 252 S CB -0.442 62.772 63.200 0.022 0.000 0.785 252 S HN 0.488 nan 8.310 nan 0.000 0.495 253 D N 2.490 122.883 120.400 -0.012 0.000 2.144 253 D HA 0.062 4.702 4.640 -0.000 0.000 0.199 253 D C 2.241 178.500 176.300 -0.069 0.000 0.984 253 D CA 1.431 55.408 54.000 -0.038 0.000 0.834 253 D CB -0.626 40.153 40.800 -0.036 0.000 0.955 253 D HN 0.566 nan 8.370 nan 0.000 0.465 254 A N 1.107 123.890 122.820 -0.062 0.000 1.898 254 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 254 A C 2.178 179.672 177.584 -0.151 0.000 1.181 254 A CA 1.217 53.190 52.037 -0.107 0.000 0.620 254 A CB -0.364 18.593 19.000 -0.072 0.000 0.819 254 A HN 0.028 nan 8.150 nan 0.000 0.442 255 R N 0.538 121.010 120.500 -0.047 0.000 2.083 255 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 255 R C 1.880 178.134 176.300 -0.078 0.000 1.137 255 R CA 2.244 58.355 56.100 0.018 0.000 0.951 255 R CB -0.498 29.884 30.300 0.138 0.000 0.851 255 R HN 0.585 nan 8.270 nan 0.000 0.434 256 K N -0.063 120.303 120.400 -0.058 0.000 2.057 256 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 256 K C 2.217 178.747 176.600 -0.117 0.000 1.049 256 K CA 1.424 57.676 56.287 -0.057 0.000 0.931 256 K CB -0.233 32.243 32.500 -0.041 0.000 0.714 256 K HN 0.245 nan 8.250 nan 0.000 0.440 257 A N 1.446 124.171 122.820 -0.158 0.000 1.883 257 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 257 A C 2.134 179.560 177.584 -0.262 0.000 1.186 257 A CA 1.477 53.403 52.037 -0.186 0.000 0.624 257 A CB -0.674 18.209 19.000 -0.195 0.000 0.822 257 A HN 0.167 nan 8.150 nan 0.000 0.444 258 L N -1.164 119.784 121.223 -0.458 0.000 2.131 258 L HA -0.057 4.283 4.340 -0.000 0.000 0.206 258 L C 3.029 179.582 176.870 -0.529 0.000 1.087 258 L CA 0.826 55.229 54.840 -0.728 0.000 0.767 258 L CB -0.478 40.650 42.059 -1.552 0.000 0.917 258 L HN 0.402 nan 8.230 nan 0.000 0.441 259 A N 0.108 122.729 122.820 -0.333 0.000 1.930 259 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 259 A C 2.220 179.802 177.584 -0.002 0.000 1.175 259 A CA 1.296 53.357 52.037 0.040 0.000 0.627 259 A CB -0.612 18.471 19.000 0.139 0.000 0.815 259 A HN 0.362 nan 8.150 nan 0.000 0.443 260 L N -1.257 119.932 121.223 -0.057 0.000 2.291 260 L HA 0.080 4.420 4.340 -0.000 0.000 0.214 260 L C 1.687 178.534 176.870 -0.039 0.000 1.120 260 L CA 0.659 55.476 54.840 -0.038 0.000 0.799 260 L CB -0.317 41.714 42.059 -0.046 0.000 0.925 260 L HN 0.601 nan 8.230 nan 0.000 0.446 261 G N -0.541 108.217 108.800 -0.070 0.000 2.182 261 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.248 261 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.248 261 G C 0.872 175.743 174.900 -0.048 0.000 1.042 261 G CA 0.354 45.421 45.100 -0.056 0.000 0.775 261 G HN 0.436 nan 8.290 nan 0.000 0.501 262 A N -1.034 121.745 122.820 -0.068 0.000 2.067 262 A HA 0.609 4.929 4.320 -0.000 0.000 0.217 262 A C 1.616 179.172 177.584 -0.047 0.000 1.156 262 A CA 1.851 53.868 52.037 -0.035 0.000 0.683 262 A CB 0.177 19.142 19.000 -0.059 0.000 0.808 262 A HN 2.140 nan 8.150 nan 0.000 0.455 263 G N -3.869 104.874 108.800 -0.094 0.000 2.623 263 G HA2 0.455 4.415 3.960 -0.000 0.000 0.290 263 G HA3 0.455 4.415 3.960 -0.000 0.000 0.290 263 G C 0.207 175.048 174.900 -0.099 0.000 1.437 263 G CA 0.241 45.288 45.100 -0.089 0.000 0.798 263 G HN 0.597 nan 8.290 nan 0.000 0.488 264 G N -1.437 107.322 108.800 -0.068 0.000 3.079 264 G HA2 0.458 4.418 3.960 -0.000 0.000 0.233 264 G HA3 0.458 4.418 3.960 -0.000 0.000 0.233 264 G C -0.297 174.568 174.900 -0.058 0.000 1.062 264 G CA 0.331 45.397 45.100 -0.056 0.000 0.809 264 G HN 0.919 nan 8.290 nan 0.000 0.535 265 V N 0.989 120.857 119.914 -0.077 0.000 2.808 265 V HA 0.522 4.642 4.120 -0.000 0.000 0.308 265 V C -1.071 174.907 176.094 -0.193 0.000 1.099 265 V CA -0.769 61.475 62.300 -0.093 0.000 0.920 265 V CB 2.317 34.143 31.823 0.005 0.000 1.014 265 V HN 0.093 nan 8.190 nan 0.000 0.425 266 I N 3.247 123.649 120.570 -0.280 0.000 2.433 266 I HA 0.411 4.581 4.170 -0.000 0.000 0.292 266 I C -0.257 175.506 176.117 -0.591 0.000 1.001 266 I CA -0.517 60.574 61.300 -0.348 0.000 1.119 266 I CB 2.002 39.842 38.000 -0.267 0.000 1.289 266 I HN 0.633 nan 8.210 nan 0.000 0.438 267 N N 7.229 125.518 118.700 -0.684 0.000 2.482 267 N HA 0.123 4.863 4.740 -0.000 0.000 0.242 267 N C -1.146 174.103 175.510 -0.436 0.000 1.100 267 N CA -0.417 52.043 53.050 -0.983 0.000 0.946 267 N CB 0.584 38.435 38.487 -1.060 0.000 1.227 267 N HN 0.378 nan 8.380 nan 0.000 0.508 268 L N 3.648 124.693 121.223 -0.297 0.000 2.315 268 L HA 0.371 4.710 4.340 -0.000 0.000 0.283 268 L C -0.359 176.540 176.870 0.048 0.000 1.089 268 L CA 0.137 54.931 54.840 -0.077 0.000 0.833 268 L CB 0.060 42.096 42.059 -0.038 0.000 1.170 268 L HN 0.374 nan 8.230 nan 0.000 0.442 269 K N 4.673 125.097 120.400 0.040 0.000 2.367 269 K HA 0.206 4.525 4.320 -0.000 0.000 0.263 269 K C 0.760 177.387 176.600 0.045 0.000 1.000 269 K CA -0.476 55.844 56.287 0.055 0.000 0.891 269 K CB 2.218 34.737 32.500 0.032 0.000 1.117 269 K HN 0.546 nan 8.250 nan 0.000 0.443 270 V N 3.217 123.154 119.914 0.039 0.000 2.317 270 V HA -0.337 3.783 4.120 -0.000 0.000 0.251 270 V C 1.838 177.899 176.094 -0.055 0.000 1.065 270 V CA 2.859 65.149 62.300 -0.016 0.000 1.049 270 V CB -0.171 31.595 31.823 -0.096 0.000 0.651 270 V HN 0.942 nan 8.190 nan 0.000 0.450 271 A N -0.338 122.450 122.820 -0.053 0.000 1.930 271 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 271 A C 2.379 179.966 177.584 0.005 0.000 1.176 271 A CA 1.366 53.372 52.037 -0.051 0.000 0.632 271 A CB -0.665 18.298 19.000 -0.062 0.000 0.819 271 A HN 0.575 nan 8.150 nan 0.000 0.445 272 R N 0.378 120.900 120.500 0.038 0.000 2.139 272 R HA -0.138 4.202 4.340 -0.000 0.000 0.243 272 R C 1.589 177.929 176.300 0.067 0.000 1.145 272 R CA 2.079 58.231 56.100 0.088 0.000 0.976 272 R CB -0.328 30.060 30.300 0.147 0.000 0.866 272 R HN 0.525 nan 8.270 nan 0.000 0.449 273 V N -3.517 116.424 119.914 0.045 0.000 3.647 273 V HA 0.418 4.537 4.120 -0.000 0.000 0.279 273 V C 0.859 176.974 176.094 0.036 0.000 1.314 273 V CA 0.569 62.894 62.300 0.042 0.000 1.125 273 V CB 0.387 32.234 31.823 0.039 0.000 0.907 273 V HN 0.431 nan 8.190 nan 0.000 0.434 274 G N -1.538 107.276 108.800 0.023 0.000 2.148 274 G HA2 0.331 4.291 3.960 -0.000 0.000 0.203 274 G HA3 0.331 4.291 3.960 -0.000 0.000 0.203 274 G C 0.944 175.845 174.900 0.002 0.000 0.993 274 G CA -0.035 45.073 45.100 0.014 0.000 0.661 274 G HN 2.270 nan 8.290 nan 0.000 0.518 275 G N -1.596 107.187 108.800 -0.028 0.000 2.422 275 G HA2 0.175 4.134 3.960 -0.000 0.000 0.607 275 G HA3 0.175 4.134 3.960 -0.000 0.000 0.607 275 G C 0.236 175.115 174.900 -0.035 0.000 1.270 275 G CA 0.463 45.521 45.100 -0.069 0.000 0.992 275 G HN 0.584 nan 8.290 nan 0.000 0.499 276 H N -0.090 119.049 119.070 0.114 0.000 2.307 276 H HA 0.114 4.670 4.556 -0.000 0.000 0.303 276 H C 3.161 178.498 175.328 0.015 0.000 1.073 276 H CA 2.427 58.433 56.048 -0.069 0.000 1.338 276 H CB -0.676 28.748 29.762 -0.563 0.000 1.389 276 H HN 0.783 nan 8.280 nan 0.000 0.503 277 A N 1.156 124.214 122.820 0.397 0.000 1.892 277 A HA -0.249 4.070 4.320 -0.000 0.000 0.218 277 A C 2.393 180.096 177.584 0.197 0.000 1.188 277 A CA 2.234 54.479 52.037 0.346 0.000 0.631 277 A CB -0.432 18.831 19.000 0.438 0.000 0.822 277 A HN 0.411 nan 8.150 nan 0.000 0.447 278 E N 0.086 120.385 120.200 0.165 0.000 2.106 278 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 278 E C 2.160 178.821 176.600 0.102 0.000 0.984 278 E CA 1.456 57.922 56.400 0.110 0.000 0.806 278 E CB -0.248 29.500 29.700 0.080 0.000 0.750 278 E HN 0.516 nan 8.360 nan 0.000 0.458 279 S N 0.320 116.083 115.700 0.105 0.000 2.370 279 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 279 S C 1.902 176.589 174.600 0.144 0.000 1.033 279 S CA 1.320 59.594 58.200 0.123 0.000 1.011 279 S CB -0.367 62.919 63.200 0.142 0.000 0.852 279 S HN 0.281 nan 8.310 nan 0.000 0.457 280 R N 1.184 121.753 120.500 0.115 0.000 2.083 280 R HA -0.105 4.235 4.340 -0.000 0.000 0.237 280 R C 2.463 178.854 176.300 0.152 0.000 1.137 280 R CA 1.472 57.621 56.100 0.082 0.000 0.951 280 R CB -0.145 30.176 30.300 0.035 0.000 0.851 280 R HN 0.334 nan 8.270 nan 0.000 0.434 281 R N -0.378 120.201 120.500 0.131 0.000 2.091 281 R HA -0.116 4.224 4.340 -0.000 0.000 0.238 281 R C 2.320 178.687 176.300 0.111 0.000 1.136 281 R CA 1.665 57.837 56.100 0.120 0.000 0.959 281 R CB -0.476 29.883 30.300 0.097 0.000 0.856 281 R HN 0.102 nan 8.270 nan 0.000 0.437 282 V N 0.959 120.931 119.914 0.097 0.000 2.295 282 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 282 V C 2.501 178.622 176.094 0.044 0.000 1.049 282 V CA 2.113 64.445 62.300 0.054 0.000 1.024 282 V CB -0.865 30.974 31.823 0.026 0.000 0.648 282 V HN 0.487 nan 8.190 nan 0.000 0.447 283 H N 0.588 119.629 119.070 -0.048 0.000 2.289 283 H HA -0.216 4.340 4.556 -0.000 0.000 0.296 283 H C 2.051 177.352 175.328 -0.045 0.000 1.091 283 H CA 2.408 58.390 56.048 -0.109 0.000 1.274 283 H CB -0.214 29.513 29.762 -0.058 0.000 1.364 283 H HN 0.418 nan 8.280 nan 0.000 0.490 284 D N 0.369 120.871 120.400 0.170 0.000 2.117 284 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 284 D C 2.637 178.958 176.300 0.034 0.000 0.982 284 D CA 1.094 55.150 54.000 0.093 0.000 0.828 284 D CB -0.387 40.514 40.800 0.168 0.000 0.967 284 D HN 0.250 nan 8.370 nan 0.000 0.464 285 V N 1.646 121.601 119.914 0.069 0.000 2.287 285 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 285 V C 2.568 178.766 176.094 0.173 0.000 1.053 285 V CA 1.885 64.261 62.300 0.127 0.000 1.027 285 V CB -0.916 30.990 31.823 0.138 0.000 0.646 285 V HN 0.189 nan 8.190 nan 0.000 0.447 286 A N -0.804 122.037 122.820 0.036 0.000 1.873 286 A HA -0.365 3.955 4.320 -0.000 0.000 0.218 286 A C 2.266 179.856 177.584 0.010 0.000 1.193 286 A CA 2.443 54.472 52.037 -0.014 0.000 0.629 286 A CB -0.674 18.238 19.000 -0.145 0.000 0.826 286 A HN 0.603 nan 8.150 nan 0.000 0.447 287 Q N 0.035 119.777 119.800 -0.097 0.000 2.124 287 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 287 Q C 2.177 178.168 176.000 -0.015 0.000 0.977 287 Q CA 2.096 57.841 55.803 -0.098 0.000 0.850 287 Q CB -0.215 28.412 28.738 -0.185 0.000 0.901 287 Q HN 0.807 nan 8.270 nan 0.000 0.429 288 S N -1.075 114.629 115.700 0.006 0.000 2.507 288 S HA -0.088 4.382 4.470 -0.000 0.000 0.235 288 S C 1.170 175.701 174.600 -0.114 0.000 0.988 288 S CA 0.602 58.770 58.200 -0.053 0.000 0.944 288 S CB -0.227 62.922 63.200 -0.085 0.000 0.762 288 S HN 0.418 nan 8.310 nan 0.000 0.526 289 F N 1.317 121.237 119.950 -0.050 0.000 2.721 289 F HA 0.420 4.946 4.527 -0.000 0.000 0.301 289 F C 1.882 177.657 175.800 -0.042 0.000 1.096 289 F CA 0.148 58.123 58.000 -0.042 0.000 1.308 289 F CB 0.317 39.290 39.000 -0.045 0.000 1.086 289 F HN 0.372 nan 8.300 nan 0.000 0.587 290 G N 0.916 109.783 108.800 0.111 0.000 2.137 290 G HA2 -0.099 3.860 3.960 -0.000 0.000 0.237 290 G HA3 -0.099 3.860 3.960 -0.000 0.000 0.237 290 G C 0.059 174.981 174.900 0.037 0.000 1.002 290 G CA -0.035 45.096 45.100 0.052 0.000 0.702 290 G HN 0.613 nan 8.290 nan 0.000 0.515 291 A N 0.913 123.751 122.820 0.030 0.000 2.276 291 A HA 0.861 5.180 4.320 -0.000 0.000 0.316 291 A C -1.378 176.165 177.584 -0.069 0.000 1.229 291 A CA -1.287 50.735 52.037 -0.025 0.000 0.851 291 A CB 1.592 20.554 19.000 -0.063 0.000 1.165 291 A HN 0.215 nan 8.150 nan 0.000 0.513 292 P HA 0.434 nan 4.420 nan 0.000 0.276 292 P C -0.308 176.911 177.300 -0.136 0.000 1.261 292 P CA -0.142 62.913 63.100 -0.075 0.000 0.800 292 P CB 1.270 32.977 31.700 0.013 0.000 1.066 293 V N -2.848 116.939 119.914 -0.212 0.000 3.046 293 V HA 0.797 4.917 4.120 -0.000 0.000 0.316 293 V C -0.751 175.288 176.094 -0.092 0.000 1.104 293 V CA -0.932 61.186 62.300 -0.303 0.000 1.006 293 V CB 2.238 33.758 31.823 -0.506 0.000 1.058 293 V HN 0.766 nan 8.190 nan 0.000 0.440 294 W N -0.482 120.787 121.300 -0.052 0.000 2.975 294 W HA 0.691 5.351 4.660 -0.000 0.000 0.342 294 W C -1.002 175.710 176.519 0.321 0.000 1.168 294 W CA -1.332 56.120 57.345 0.178 0.000 1.141 294 W CB 1.251 30.800 29.460 0.149 0.000 1.445 294 W HN 0.855 nan 8.180 nan 0.000 0.560 295 C N 2.882 122.697 119.300 0.859 0.000 2.349 295 C HA 0.639 5.099 4.460 -0.000 0.000 0.348 295 C C 1.094 176.382 174.990 0.496 0.000 1.223 295 C CA 0.433 59.805 59.018 0.590 0.000 1.746 295 C CB -1.066 26.842 27.740 0.280 0.000 2.360 295 C HN 0.765 nan 8.230 nan 0.000 0.533 296 G N 4.195 113.203 108.800 0.347 0.000 2.562 296 G HA2 0.591 4.551 3.960 -0.000 0.000 0.275 296 G HA3 0.591 4.551 3.960 -0.000 0.000 0.275 296 G C 0.088 175.091 174.900 0.172 0.000 1.196 296 G CA 0.094 45.387 45.100 0.321 0.000 0.908 296 G HN 1.161 nan 8.290 nan 0.000 0.524 297 G N -1.074 107.795 108.800 0.115 0.000 2.511 297 G HA2 0.517 4.477 3.960 -0.000 0.000 0.318 297 G HA3 0.517 4.477 3.960 -0.000 0.000 0.318 297 G C -0.196 174.665 174.900 -0.064 0.000 1.210 297 G CA -0.665 44.449 45.100 0.023 0.000 0.969 297 G HN 0.401 nan 8.290 nan 0.000 0.484 298 M N 1.857 121.393 119.600 -0.106 0.000 3.320 298 M HA 0.267 4.747 4.480 -0.000 0.000 0.414 298 M C 0.261 176.478 176.300 -0.140 0.000 1.553 298 M CA -0.140 55.062 55.300 -0.163 0.000 0.742 298 M CB -0.063 32.426 32.600 -0.184 0.000 1.434 298 M HN 0.571 nan 8.290 nan 0.000 0.505 299 L N 0.821 121.910 121.223 -0.223 0.000 3.678 299 L HA -0.269 4.071 4.340 -0.000 0.000 0.425 299 L C -0.267 176.605 176.870 0.003 0.000 1.240 299 L CA 0.614 55.264 54.840 -0.316 0.000 0.876 299 L CB -1.457 40.487 42.059 -0.191 0.000 1.766 299 L HN 0.423 nan 8.230 nan 0.000 0.917 300 E N -0.102 120.110 120.200 0.020 0.000 2.343 300 E HA 0.403 4.753 4.350 -0.000 0.000 0.269 300 E C 0.697 177.490 176.600 0.322 0.000 1.047 300 E CA 0.300 56.786 56.400 0.143 0.000 0.874 300 E CB 0.831 30.575 29.700 0.073 0.000 1.033 300 E HN 0.354 nan 8.360 nan 0.000 0.409 301 S N 0.836 116.605 115.700 0.115 0.000 2.606 301 S HA 0.118 4.588 4.470 -0.000 0.000 0.257 301 S C 1.411 176.068 174.600 0.095 0.000 1.327 301 S CA -0.266 57.896 58.200 -0.063 0.000 0.984 301 S CB 0.838 63.876 63.200 -0.271 0.000 0.941 301 S HN 0.646 nan 8.310 nan 0.000 0.576 302 G N -0.097 108.749 108.800 0.078 0.000 2.559 302 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.216 302 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.216 302 G C 1.152 176.117 174.900 0.108 0.000 1.126 302 G CA 0.364 45.536 45.100 0.120 0.000 0.778 302 G HN 0.590 nan 8.290 nan 0.000 0.543 303 I N 1.772 122.397 120.570 0.092 0.000 2.133 303 I HA -0.054 4.115 4.170 -0.000 0.000 0.238 303 I C 3.015 179.277 176.117 0.241 0.000 1.074 303 I CA 1.499 62.885 61.300 0.143 0.000 1.342 303 I CB -1.471 36.593 38.000 0.107 0.000 1.053 303 I HN 0.218 nan 8.210 nan 0.000 0.404 304 G N 0.275 109.168 108.800 0.154 0.000 2.418 304 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 304 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 304 G C 1.930 176.931 174.900 0.169 0.000 1.158 304 G CA 0.755 45.936 45.100 0.135 0.000 0.771 304 G HN 0.284 nan 8.290 nan 0.000 0.545 305 R N 0.431 121.021 120.500 0.150 0.000 2.083 305 R HA -0.019 4.321 4.340 -0.000 0.000 0.237 305 R C 2.933 179.319 176.300 0.143 0.000 1.137 305 R CA 1.510 57.696 56.100 0.142 0.000 0.951 305 R CB -0.395 30.002 30.300 0.161 0.000 0.851 305 R HN 0.296 nan 8.270 nan 0.000 0.434 306 A N 0.508 123.415 122.820 0.146 0.000 1.883 306 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 306 A C 1.954 179.639 177.584 0.169 0.000 1.186 306 A CA 1.602 53.721 52.037 0.136 0.000 0.624 306 A CB -0.954 18.095 19.000 0.082 0.000 0.822 306 A HN 0.472 nan 8.150 nan 0.000 0.444 307 H N -0.077 119.075 119.070 0.137 0.000 2.319 307 H HA -0.128 4.428 4.556 -0.000 0.000 0.297 307 H C 1.961 177.402 175.328 0.187 0.000 1.097 307 H CA 1.884 58.041 56.048 0.182 0.000 1.285 307 H CB -0.119 29.747 29.762 0.173 0.000 1.368 307 H HN 0.457 nan 8.280 nan 0.000 0.495 308 N N 0.689 119.527 118.700 0.229 0.000 2.120 308 N HA -0.094 4.645 4.740 -0.000 0.000 0.188 308 N C 2.209 177.725 175.510 0.010 0.000 1.024 308 N CA 0.644 53.763 53.050 0.114 0.000 0.852 308 N CB -0.417 38.124 38.487 0.090 0.000 1.003 308 N HN 0.344 nan 8.380 nan 0.000 0.424 309 I N 0.559 121.140 120.570 0.018 0.000 2.226 309 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 309 I C 2.174 178.173 176.117 -0.197 0.000 1.100 309 I CA 1.037 62.282 61.300 -0.092 0.000 1.374 309 I CB -0.272 37.678 38.000 -0.084 0.000 1.057 309 I HN 0.274 nan 8.210 nan 0.000 0.413 310 H N -0.001 118.986 119.070 -0.140 0.000 2.352 310 H HA -0.188 4.368 4.556 -0.000 0.000 0.299 310 H C 2.176 177.348 175.328 -0.259 0.000 1.097 310 H CA 1.770 57.699 56.048 -0.199 0.000 1.311 310 H CB -0.158 29.459 29.762 -0.241 0.000 1.377 310 H HN 0.231 nan 8.280 nan 0.000 0.504 311 L N 0.740 121.889 121.223 -0.124 0.000 2.131 311 L HA -0.081 4.258 4.340 -0.000 0.000 0.210 311 L C 2.096 178.624 176.870 -0.571 0.000 1.092 311 L CA 1.311 56.022 54.840 -0.216 0.000 0.759 311 L CB -0.397 41.666 42.059 0.006 0.000 0.903 311 L HN -0.064 nan 8.230 nan 0.000 0.435 312 S N -1.163 114.134 115.700 -0.671 0.000 2.555 312 S HA -0.087 4.383 4.470 -0.000 0.000 0.230 312 S C 1.654 175.924 174.600 -0.549 0.000 0.978 312 S CA 1.039 58.623 58.200 -1.025 0.000 0.934 312 S CB -0.617 62.273 63.200 -0.516 0.000 0.766 312 S HN 0.793 nan 8.310 nan 0.000 0.533 313 T N -0.540 113.804 114.554 -0.351 0.000 3.113 313 T HA 0.219 4.569 4.350 -0.000 0.000 0.256 313 T C 0.456 175.085 174.700 -0.119 0.000 1.131 313 T CA -0.078 61.903 62.100 -0.198 0.000 1.074 313 T CB -0.270 68.482 68.868 -0.193 0.000 0.944 313 T HN -0.012 nan 8.240 nan 0.000 0.516 314 L N 2.999 124.190 121.223 -0.054 0.000 2.452 314 L HA 0.304 4.644 4.340 -0.000 0.000 0.267 314 L C 1.810 178.854 176.870 0.291 0.000 1.188 314 L CA 0.221 55.085 54.840 0.040 0.000 0.821 314 L CB 0.962 42.906 42.059 -0.191 0.000 1.102 314 L HN 0.329 nan 8.230 nan 0.000 0.470 315 S N 0.274 116.127 115.700 0.254 0.000 2.515 315 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 315 S C 1.164 175.902 174.600 0.231 0.000 0.987 315 S CA 0.872 59.184 58.200 0.187 0.000 0.936 315 S CB -0.508 62.742 63.200 0.084 0.000 0.766 315 S HN 0.764 nan 8.310 nan 0.000 0.528 316 N N -0.243 118.664 118.700 0.345 0.000 2.322 316 N HA 0.129 4.869 4.740 -0.000 0.000 0.194 316 N C -0.988 174.490 175.510 -0.052 0.000 1.126 316 N CA -0.252 52.761 53.050 -0.062 0.000 0.845 316 N CB 0.026 38.147 38.487 -0.611 0.000 0.976 316 N HN 0.328 nan 8.380 nan 0.000 0.475 317 F N 1.360 121.420 119.950 0.185 0.000 2.679 317 F HA 0.203 4.730 4.527 -0.000 0.000 0.351 317 F C 1.473 177.346 175.800 0.121 0.000 1.279 317 F CA -0.023 58.076 58.000 0.165 0.000 1.227 317 F CB 0.298 39.390 39.000 0.154 0.000 1.623 317 F HN -0.108 nan 8.300 nan 0.000 0.666 318 R N 1.175 121.783 120.500 0.180 0.000 2.312 318 R HA 0.294 4.634 4.340 -0.000 0.000 0.205 318 R C -0.078 176.306 176.300 0.139 0.000 0.904 318 R CA 0.151 56.330 56.100 0.132 0.000 1.052 318 R CB 0.451 30.795 30.300 0.073 0.000 1.014 318 R HN 0.398 nan 8.270 nan 0.000 0.503 319 L N 1.060 122.408 121.223 0.208 0.000 2.342 319 L HA 0.472 4.812 4.340 -0.000 0.000 0.271 319 L C -2.410 174.528 176.870 0.113 0.000 1.008 319 L CA -2.612 52.321 54.840 0.154 0.000 0.818 319 L CB 2.052 44.271 42.059 0.266 0.000 1.296 319 L HN -0.264 nan 8.230 nan 0.000 0.427 320 P HA 0.086 nan 4.420 nan 0.000 0.268 320 P C -0.245 176.963 177.300 -0.153 0.000 1.204 320 P CA -0.106 62.952 63.100 -0.070 0.000 0.768 320 P CB 0.661 32.293 31.700 -0.113 0.000 0.842 321 G N 1.319 110.135 108.800 0.026 0.000 2.504 321 G HA2 0.125 4.085 3.960 -0.000 0.000 0.288 321 G HA3 0.125 4.085 3.960 -0.000 0.000 0.288 321 G C 0.022 174.932 174.900 0.017 0.000 1.182 321 G CA -0.427 44.749 45.100 0.126 0.000 0.894 321 G HN 0.354 nan 8.290 nan 0.000 0.521 322 D N 0.380 120.846 120.400 0.109 0.000 2.504 322 D HA 0.057 4.697 4.640 -0.000 0.000 0.243 322 D C 0.593 176.938 176.300 0.075 0.000 1.203 322 D CA 0.495 54.524 54.000 0.048 0.000 0.847 322 D CB 0.085 40.969 40.800 0.139 0.000 0.973 322 D HN 0.123 nan 8.370 nan 0.000 0.490 323 T N 0.461 115.067 114.554 0.086 0.000 3.598 323 T HA 0.180 4.530 4.350 -0.000 0.000 0.343 323 T C 0.855 175.643 174.700 0.145 0.000 1.697 323 T CA -0.275 61.892 62.100 0.111 0.000 1.247 323 T CB 0.478 69.400 68.868 0.091 0.000 1.210 323 T HN -0.095 nan 8.240 nan 0.000 0.820 324 S N 1.251 117.054 115.700 0.173 0.000 2.477 324 S HA 0.363 4.833 4.470 -0.000 0.000 0.261 324 S C 0.817 175.546 174.600 0.216 0.000 1.197 324 S CA -0.885 57.429 58.200 0.190 0.000 1.015 324 S CB 0.363 63.567 63.200 0.007 0.000 1.077 324 S HN 0.518 nan 8.310 nan 0.000 0.505 325 S N 1.089 116.874 115.700 0.141 0.000 2.537 325 S HA 0.447 4.917 4.470 -0.000 0.000 0.275 325 S C 1.411 176.083 174.600 0.120 0.000 1.272 325 S CA -0.238 58.027 58.200 0.108 0.000 1.050 325 S CB 1.186 64.420 63.200 0.056 0.000 0.961 325 S HN 0.743 nan 8.310 nan 0.000 0.496 326 A N 3.447 126.387 122.820 0.200 0.000 1.893 326 A HA -0.245 4.075 4.320 -0.000 0.000 0.222 326 A C 2.330 180.013 177.584 0.166 0.000 1.309 326 A CA 2.674 54.885 52.037 0.291 0.000 0.681 326 A CB -1.618 17.535 19.000 0.256 0.000 0.842 326 A HN 1.086 nan 8.150 nan 0.000 0.468 327 S N -0.761 114.979 115.700 0.066 0.000 2.537 327 S HA -0.104 4.365 4.470 -0.000 0.000 0.240 327 S C 1.699 176.223 174.600 -0.128 0.000 0.981 327 S CA 1.144 59.344 58.200 0.001 0.000 0.948 327 S CB -0.445 62.753 63.200 -0.004 0.000 0.759 327 S HN 0.603 nan 8.310 nan 0.000 0.531 328 R N -0.778 119.545 120.500 -0.294 0.000 2.236 328 R HA 0.104 4.444 4.340 -0.000 0.000 0.208 328 R C 0.904 176.787 176.300 -0.695 0.000 1.036 328 R CA 1.268 57.039 56.100 -0.548 0.000 1.001 328 R CB -0.101 29.687 30.300 -0.854 0.000 0.896 328 R HN 0.673 nan 8.270 nan 0.000 0.464 329 Y N -2.974 117.073 120.300 -0.421 0.000 2.585 329 Y HA 0.173 4.723 4.550 -0.000 0.000 0.272 329 Y C 0.094 175.533 175.900 -0.769 0.000 1.119 329 Y CA -0.801 56.819 58.100 -0.800 0.000 1.255 329 Y CB 0.513 38.134 38.460 -1.398 0.000 1.284 329 Y HN -0.063 nan 8.280 nan 0.000 0.499 330 W N 1.169 122.563 121.300 0.157 0.000 2.702 330 W HA 0.469 5.129 4.660 -0.000 0.000 0.331 330 W C 0.658 177.196 176.519 0.032 0.000 1.049 330 W CA -0.775 56.625 57.345 0.092 0.000 1.230 330 W CB 1.096 30.619 29.460 0.105 0.000 1.408 330 W HN -0.180 nan 8.180 nan 0.000 0.492 331 E N 0.967 121.311 120.200 0.241 0.000 2.150 331 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 331 E C 0.539 177.171 176.600 0.053 0.000 0.985 331 E CA 0.949 57.414 56.400 0.109 0.000 0.814 331 E CB 0.332 30.078 29.700 0.077 0.000 0.752 331 E HN 0.258 nan 8.360 nan 0.000 0.466 332 R N 0.760 121.292 120.500 0.053 0.000 2.533 332 R HA 0.107 4.447 4.340 -0.000 0.000 0.288 332 R C -1.584 174.666 176.300 -0.083 0.000 1.039 332 R CA -0.482 55.507 56.100 -0.185 0.000 0.909 332 R CB 1.507 31.404 30.300 -0.672 0.000 1.195 332 R HN -0.115 nan 8.270 nan 0.000 0.438 333 D N 2.575 122.944 120.400 -0.051 0.000 2.432 333 D HA 0.176 4.816 4.640 -0.000 0.000 0.258 333 D C 0.972 177.289 176.300 0.029 0.000 1.146 333 D CA -0.422 53.566 54.000 -0.019 0.000 1.015 333 D CB 1.296 42.145 40.800 0.081 0.000 1.107 333 D HN 0.537 nan 8.370 nan 0.000 0.529 334 L N 0.873 122.124 121.223 0.046 0.000 2.599 334 L HA 0.173 4.513 4.340 -0.000 0.000 0.230 334 L C 0.819 177.747 176.870 0.096 0.000 1.141 334 L CA 0.126 55.052 54.840 0.142 0.000 0.877 334 L CB -0.571 41.498 42.059 0.015 0.000 1.009 334 L HN 0.331 nan 8.230 nan 0.000 0.447 335 I N -4.870 115.734 120.570 0.057 0.000 2.863 335 I HA 0.255 4.425 4.170 -0.000 0.000 0.311 335 I C 0.698 176.835 176.117 0.034 0.000 1.026 335 I CA -0.816 60.512 61.300 0.047 0.000 1.077 335 I CB 1.381 39.407 38.000 0.043 0.000 1.262 335 I HN -0.094 nan 8.210 nan 0.000 0.461 336 Q N 0.954 120.771 119.800 0.028 0.000 2.123 336 Q HA -0.009 4.331 4.340 -0.000 0.000 0.199 336 Q C -0.275 175.732 176.000 0.012 0.000 0.966 336 Q CA 1.068 56.880 55.803 0.015 0.000 0.845 336 Q CB -0.087 28.660 28.738 0.016 0.000 0.907 336 Q HN 0.645 nan 8.270 nan 0.000 0.439 337 E N 2.205 122.418 120.200 0.020 0.000 2.354 337 E HA 0.097 4.446 4.350 -0.000 0.000 0.269 337 E C -2.306 174.312 176.600 0.030 0.000 1.036 337 E CA -1.778 54.634 56.400 0.021 0.000 0.876 337 E CB 0.251 29.966 29.700 0.024 0.000 1.009 337 E HN 0.065 nan 8.360 nan 0.000 0.416 338 P HA 0.108 nan 4.420 nan 0.000 0.276 338 P C -0.801 176.524 177.300 0.042 0.000 1.230 338 P CA -0.065 63.055 63.100 0.033 0.000 0.776 338 P CB 0.624 32.334 31.700 0.017 0.000 0.888 339 L N 3.471 124.733 121.223 0.065 0.000 2.408 339 L HA 0.365 4.705 4.340 -0.000 0.000 0.257 339 L C 0.275 177.186 176.870 0.069 0.000 1.053 339 L CA -0.219 54.662 54.840 0.068 0.000 0.922 339 L CB 0.891 43.008 42.059 0.097 0.000 1.261 339 L HN 0.227 nan 8.230 nan 0.000 0.458 340 E N 2.221 122.444 120.200 0.038 0.000 2.248 340 E HA 0.625 4.975 4.350 -0.000 0.000 0.267 340 E C -0.711 175.891 176.600 0.003 0.000 0.877 340 E CA -0.544 55.872 56.400 0.026 0.000 0.759 340 E CB 2.988 32.692 29.700 0.008 0.000 1.182 340 E HN 0.463 nan 8.360 nan 0.000 0.418 341 A N 2.064 124.883 122.820 -0.002 0.000 2.304 341 A HA 0.628 4.948 4.320 -0.000 0.000 0.301 341 A C -0.413 177.096 177.584 -0.126 0.000 1.132 341 A CA -0.542 51.462 52.037 -0.055 0.000 0.819 341 A CB 0.914 19.890 19.000 -0.040 0.000 1.094 341 A HN 0.318 nan 8.150 nan 0.000 0.492 342 V N 1.868 121.700 119.914 -0.136 0.000 2.588 342 V HA 0.396 4.516 4.120 -0.000 0.000 0.304 342 V C 0.044 176.033 176.094 -0.176 0.000 1.042 342 V CA 0.431 62.638 62.300 -0.156 0.000 0.877 342 V CB 1.402 33.166 31.823 -0.099 0.000 0.996 342 V HN 1.185 nan 8.190 nan 0.000 0.425 343 D N 3.977 124.245 120.400 -0.218 0.000 2.837 343 D HA -0.176 4.464 4.640 -0.000 0.000 0.230 343 D C 1.126 177.316 176.300 -0.184 0.000 1.152 343 D CA 2.141 56.033 54.000 -0.180 0.000 0.736 343 D CB -1.058 39.677 40.800 -0.107 0.000 1.084 343 D HN 1.631 nan 8.370 nan 0.000 0.429 344 G N -1.581 107.045 108.800 -0.290 0.000 2.159 344 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.256 344 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.256 344 G C 0.189 175.039 174.900 -0.084 0.000 0.977 344 G CA 0.300 45.282 45.100 -0.198 0.000 0.652 344 G HN 0.598 nan 8.290 nan 0.000 0.531 345 L N 0.120 121.286 121.223 -0.095 0.000 2.319 345 L HA 0.706 5.046 4.340 -0.000 0.000 0.281 345 L C 0.213 177.054 176.870 -0.047 0.000 1.005 345 L CA -1.007 53.801 54.840 -0.054 0.000 0.828 345 L CB 1.753 43.782 42.059 -0.050 0.000 1.227 345 L HN 0.181 nan 8.230 nan 0.000 0.415 346 M N 7.439 127.023 119.600 -0.026 0.000 2.113 346 M HA 0.472 4.952 4.480 -0.000 0.000 0.352 346 M C -2.467 173.807 176.300 -0.042 0.000 1.170 346 M CA -1.923 53.365 55.300 -0.021 0.000 1.053 346 M CB 0.987 33.589 32.600 0.005 0.000 1.601 346 M HN 0.106 nan 8.290 nan 0.000 0.459 347 P HA 0.125 nan 4.420 nan 0.000 0.278 347 P C -0.964 176.287 177.300 -0.082 0.000 1.238 347 P CA -0.374 62.692 63.100 -0.056 0.000 0.794 347 P CB 0.641 32.316 31.700 -0.042 0.000 0.955 348 V N 5.488 125.329 119.914 -0.122 0.000 2.421 348 V HA 0.083 4.202 4.120 -0.000 0.000 0.271 348 V C -1.503 174.511 176.094 -0.134 0.000 1.031 348 V CA -1.092 61.083 62.300 -0.210 0.000 1.032 348 V CB -0.207 31.449 31.823 -0.278 0.000 1.009 348 V HN 0.590 nan 8.190 nan 0.000 0.477 349 P HA 0.079 nan 4.420 nan 0.000 0.262 349 P C -0.342 176.983 177.300 0.041 0.000 1.199 349 P CA 0.020 63.123 63.100 0.004 0.000 0.763 349 P CB 0.505 32.235 31.700 0.049 0.000 0.790 350 Q N 1.474 121.285 119.800 0.018 0.000 2.368 350 Q HA 0.563 4.903 4.340 -0.000 0.000 0.237 350 Q C 0.747 176.760 176.000 0.022 0.000 0.987 350 Q CA -0.083 55.731 55.803 0.020 0.000 0.896 350 Q CB 0.667 29.405 28.738 0.001 0.000 1.241 350 Q HN 0.791 nan 8.270 nan 0.000 0.485 351 G N 0.932 109.738 108.800 0.011 0.000 2.392 351 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.677 351 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.677 351 G C -3.064 171.816 174.900 -0.032 0.000 1.334 351 G CA -1.159 43.934 45.100 -0.011 0.000 0.961 351 G HN 0.462 nan 8.290 nan 0.000 0.616 352 P HA 0.518 nan 4.420 nan 0.000 0.276 352 P C 1.309 178.524 177.300 -0.142 0.000 1.252 352 P CA 1.442 64.485 63.100 -0.094 0.000 0.802 352 P CB 0.868 32.513 31.700 -0.092 0.000 1.035 353 G N 1.216 109.903 108.800 -0.189 0.000 2.611 353 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.301 353 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.301 353 G C 1.077 175.692 174.900 -0.475 0.000 1.233 353 G CA 1.348 46.292 45.100 -0.260 0.000 0.993 353 G HN 0.752 nan 8.290 nan 0.000 0.553 354 T N -0.824 113.451 114.554 -0.466 0.000 3.113 354 T HA 0.360 4.710 4.350 -0.000 0.000 0.263 354 T C 2.620 177.184 174.700 -0.226 0.000 1.143 354 T CA 1.663 63.414 62.100 -0.581 0.000 1.090 354 T CB -0.336 68.266 68.868 -0.443 0.000 0.922 354 T HN 2.756 nan 8.240 nan 0.000 0.521 355 G N 0.778 109.498 108.800 -0.133 0.000 2.166 355 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.260 355 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.260 355 G C 0.206 175.108 174.900 0.004 0.000 0.986 355 G CA 0.634 45.730 45.100 -0.006 0.000 0.683 355 G HN 1.609 nan 8.290 nan 0.000 0.527 356 V N -4.004 115.898 119.914 -0.019 0.000 3.074 356 V HA 1.010 5.130 4.120 -0.000 0.000 0.314 356 V C -0.150 175.941 176.094 -0.004 0.000 1.117 356 V CA -0.243 62.059 62.300 0.002 0.000 1.014 356 V CB 2.242 34.078 31.823 0.022 0.000 1.057 356 V HN 0.619 nan 8.190 nan 0.000 0.438 357 T N 2.768 117.328 114.554 0.010 0.000 2.991 357 T HA 0.541 4.890 4.350 -0.000 0.000 0.303 357 T C -0.452 174.262 174.700 0.025 0.000 1.015 357 T CA -0.434 61.673 62.100 0.012 0.000 1.007 357 T CB 1.308 70.183 68.868 0.011 0.000 1.034 357 T HN 0.783 nan 8.240 nan 0.000 0.446 358 L N 2.586 123.825 121.223 0.026 0.000 2.485 358 L HA 0.148 4.488 4.340 -0.000 0.000 0.275 358 L C 0.632 177.531 176.870 0.050 0.000 1.207 358 L CA -0.096 54.766 54.840 0.037 0.000 0.855 358 L CB 0.344 42.421 42.059 0.030 0.000 1.114 358 L HN 0.660 nan 8.230 nan 0.000 0.485 359 D N 3.312 123.758 120.400 0.076 0.000 2.468 359 D HA 0.068 4.708 4.640 -0.000 0.000 0.218 359 D C 1.028 177.391 176.300 0.104 0.000 1.155 359 D CA -0.248 53.812 54.000 0.100 0.000 0.924 359 D CB 0.672 41.559 40.800 0.144 0.000 1.029 359 D HN 0.314 nan 8.370 nan 0.000 0.515 360 R N 2.383 122.923 120.500 0.067 0.000 2.092 360 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 360 R C 1.698 178.021 176.300 0.039 0.000 1.119 360 R CA 0.721 56.847 56.100 0.043 0.000 0.970 360 R CB -0.110 30.212 30.300 0.035 0.000 0.864 360 R HN 0.608 nan 8.270 nan 0.000 0.440 361 E N -0.089 120.149 120.200 0.063 0.000 2.031 361 E HA -0.198 4.151 4.350 -0.000 0.000 0.193 361 E C 1.822 178.473 176.600 0.086 0.000 0.994 361 E CA 1.149 57.588 56.400 0.065 0.000 0.800 361 E CB -0.275 29.469 29.700 0.075 0.000 0.752 361 E HN 0.265 nan 8.360 nan 0.000 0.447 362 F N 0.731 120.680 119.950 -0.003 0.000 2.102 362 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 362 F C 2.083 177.875 175.800 -0.014 0.000 1.105 362 F CA 1.155 59.151 58.000 -0.006 0.000 1.239 362 F CB -0.207 38.788 39.000 -0.008 0.000 0.991 362 F HN 0.178 nan 8.300 nan 0.000 0.474 363 L N 1.367 122.482 121.223 -0.180 0.000 2.021 363 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 363 L C 2.534 179.251 176.870 -0.254 0.000 1.074 363 L CA 2.155 56.839 54.840 -0.260 0.000 0.760 363 L CB -1.552 40.456 42.059 -0.084 0.000 0.889 363 L HN 0.226 nan 8.230 nan 0.000 0.433 364 A N -1.095 121.637 122.820 -0.146 0.000 1.903 364 A HA -0.338 3.982 4.320 -0.000 0.000 0.219 364 A C 2.384 179.879 177.584 -0.149 0.000 1.191 364 A CA 3.086 55.056 52.037 -0.110 0.000 0.638 364 A CB -1.600 17.368 19.000 -0.053 0.000 0.823 364 A HN 0.686 nan 8.150 nan 0.000 0.451 365 T N -2.092 112.340 114.554 -0.203 0.000 2.962 365 T HA -0.021 4.329 4.350 -0.000 0.000 0.270 365 T C 1.185 175.750 174.700 -0.225 0.000 1.088 365 T CA 1.655 63.646 62.100 -0.182 0.000 1.127 365 T CB -0.629 68.158 68.868 -0.135 0.000 0.883 365 T HN 0.968 nan 8.240 nan 0.000 0.493 366 V N -2.100 117.609 119.914 -0.342 0.000 3.319 366 V HA 0.398 4.518 4.120 -0.000 0.000 0.317 366 V C 0.446 176.435 176.094 -0.175 0.000 1.411 366 V CA -0.657 61.485 62.300 -0.264 0.000 1.112 366 V CB -0.614 30.988 31.823 -0.369 0.000 1.031 366 V HN 0.212 nan 8.190 nan 0.000 0.448 367 T N 2.991 117.455 114.554 -0.151 0.000 2.851 367 T HA 0.263 4.612 4.350 -0.000 0.000 0.298 367 T C 1.055 175.711 174.700 -0.073 0.000 0.977 367 T CA 0.744 62.784 62.100 -0.101 0.000 1.126 367 T CB 1.268 70.085 68.868 -0.084 0.000 0.916 367 T HN 0.847 nan 8.240 nan 0.000 0.529 368 E N 1.845 122.010 120.200 -0.058 0.000 2.465 368 E HA 0.483 4.833 4.350 -0.000 0.000 0.209 368 E C 0.242 176.821 176.600 -0.034 0.000 0.951 368 E CA -0.451 55.922 56.400 -0.045 0.000 0.997 368 E CB 0.624 30.298 29.700 -0.044 0.000 1.025 368 E HN 0.513 nan 8.360 nan 0.000 0.500 369 A N 1.526 124.328 122.820 -0.031 0.000 2.566 369 A HA 0.480 4.800 4.320 -0.000 0.000 0.297 369 A C -1.612 175.963 177.584 -0.015 0.000 1.059 369 A CA -0.892 51.133 52.037 -0.020 0.000 0.691 369 A CB 1.472 20.464 19.000 -0.013 0.000 1.282 369 A HN 0.246 nan 8.150 nan 0.000 0.401 370 Q N 1.012 120.805 119.800 -0.011 0.000 2.418 370 Q HA 0.773 5.113 4.340 -0.000 0.000 0.282 370 Q C -1.198 174.797 176.000 -0.008 0.000 1.044 370 Q CA -0.876 54.925 55.803 -0.003 0.000 0.813 370 Q CB 2.323 31.057 28.738 -0.007 0.000 1.428 370 Q HN 0.855 nan 8.270 nan 0.000 0.402 371 E N 0.513 120.713 120.200 -0.001 0.000 2.412 371 E HA 0.521 4.871 4.350 -0.000 0.000 0.279 371 E C -1.542 175.013 176.600 -0.075 0.000 0.984 371 E CA -0.916 55.449 56.400 -0.059 0.000 0.788 371 E CB 2.601 32.278 29.700 -0.038 0.000 1.277 371 E HN 0.671 nan 8.360 nan 0.000 0.455 372 E N 1.124 121.202 120.200 -0.203 0.000 2.248 372 E HA 0.296 4.646 4.350 -0.000 0.000 0.267 372 E C -1.345 175.055 176.600 -0.333 0.000 0.877 372 E CA -0.725 55.589 56.400 -0.143 0.000 0.759 372 E CB 1.398 31.055 29.700 -0.072 0.000 1.182 372 E HN 0.488 nan 8.360 nan 0.000 0.418 373 H N 3.291 122.384 119.070 0.038 0.000 2.489 373 H HA 0.457 5.013 4.556 -0.000 0.000 0.343 373 H C -0.397 174.957 175.328 0.043 0.000 1.086 373 H CA -0.702 55.368 56.048 0.037 0.000 1.198 373 H CB 1.757 31.544 29.762 0.043 0.000 1.490 373 H HN 0.372 nan 8.280 nan 0.000 0.504 374 R N 0.483 121.053 120.500 0.116 0.000 2.892 374 R HA 0.593 4.933 4.340 -0.000 0.000 0.265 374 R C -0.090 176.260 176.300 0.083 0.000 1.025 374 R CA -0.586 55.562 56.100 0.081 0.000 0.982 374 R CB 1.886 32.206 30.300 0.032 0.000 1.185 374 R HN 0.743 nan 8.270 nan 0.000 0.484 375 A N 0.000 122.861 122.820 0.069 0.000 2.254 375 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 375 A CA 0.000 52.071 52.037 0.056 0.000 0.836 375 A CB 0.000 19.026 19.000 0.044 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486