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 2pg8_1_A DATA FIRST_RESID 10 DATA SEQUENCE DTDGLWAALT EAAASVEKLL ATLPEHGARS SAERAEIAAA HDAARALRVR DATA SEQUENCE FLDTHADAVY DRLTDHRRVH LRLAELVEAA ATAFPGLVPT QQQLAVERSL DATA SEQUENCE PQAAKEGHEI DQGIFLRAVL RSPLAGPHLL DAMLRPTPRA LELLPEFVRT DATA SEQUENCE GEVEMEAVHL ERRDGVARLT MCRDDRLNAE DGQQVDDMET AVDLALLDPG DATA SEQUENCE VRVGLLRGGV MSHPRYRGKR VFSAGINLKY LSQGGISLVD FLMRKELGYI DATA SEQUENCE HKLVRGVLTN DDRPGWWHSP RIEKPWVAAV DGFAIGGGAQ LLLVFDRVLA DATA SEQUENCE SSDAYFSLPA AKEGIIPGAA NLRLGRFAGP RVSRQVILEG RRIWAKEPEA DATA SEQUENCE RLLVDEVVEP DELDAAIERS LTRLDGDAVL ANRRMLNLAD ESPDGFRAYM DATA SEQUENCE AEFALMQALR LYGHDVI 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.366 176.300 0.110 0.000 2.045 10 D CA 0.000 54.053 54.000 0.089 0.000 0.868 10 D CB 0.000 40.877 40.800 0.128 0.000 0.688 11 T N -0.135 114.480 114.554 0.101 0.000 12.763 11 T HA -0.415 3.935 4.350 -0.000 0.000 0.419 11 T C 0.895 175.675 174.700 0.132 0.000 1.443 11 T CA 2.690 64.850 62.100 0.100 0.000 2.376 11 T CB -2.227 66.695 68.868 0.091 0.000 2.832 11 T HN 0.573 nan 8.240 nan 0.000 0.739 12 D N 1.027 121.543 120.400 0.194 0.000 2.230 12 D HA -0.092 4.548 4.640 -0.000 0.000 0.189 12 D C 1.841 178.251 176.300 0.183 0.000 1.006 12 D CA 4.264 58.410 54.000 0.244 0.000 0.853 12 D CB -0.880 40.204 40.800 0.473 0.000 0.959 12 D HN 1.232 nan 8.370 nan 0.000 0.449 13 G N -2.093 106.821 108.800 0.189 0.000 2.436 13 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.204 13 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.204 13 G C 1.053 176.021 174.900 0.114 0.000 1.026 13 G CA 0.372 45.545 45.100 0.122 0.000 0.658 13 G HN 0.305 nan 8.290 nan 0.000 0.499 14 L N 0.703 122.034 121.223 0.180 0.000 2.021 14 L HA 0.007 4.347 4.340 -0.000 0.000 0.215 14 L C 2.428 179.324 176.870 0.043 0.000 1.074 14 L CA 2.525 57.462 54.840 0.162 0.000 0.760 14 L CB -1.115 41.139 42.059 0.325 0.000 0.889 14 L HN 0.644 nan 8.230 nan 0.000 0.433 15 W N -0.043 121.142 121.300 -0.191 0.000 2.341 15 W HA -0.292 4.368 4.660 -0.000 0.000 0.283 15 W C 2.079 178.471 176.519 -0.212 0.000 1.215 15 W CA 1.390 58.481 57.345 -0.423 0.000 1.211 15 W CB 0.160 29.417 29.460 -0.338 0.000 1.131 15 W HN 0.260 nan 8.180 nan 0.000 0.552 16 A N 0.117 122.766 122.820 -0.285 0.000 1.911 16 A HA 0.129 4.449 4.320 -0.000 0.000 0.212 16 A C 2.033 179.453 177.584 -0.273 0.000 1.189 16 A CA 1.327 53.162 52.037 -0.336 0.000 0.639 16 A CB -1.176 17.734 19.000 -0.151 0.000 0.839 16 A HN 0.213 nan 8.150 nan 0.000 0.449 17 A N 0.044 122.767 122.820 -0.161 0.000 1.883 17 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 17 A C 2.131 179.623 177.584 -0.154 0.000 1.186 17 A CA 1.878 53.847 52.037 -0.113 0.000 0.624 17 A CB -0.706 18.268 19.000 -0.044 0.000 0.822 17 A HN 0.742 nan 8.150 nan 0.000 0.444 18 L N -0.296 120.811 121.223 -0.194 0.000 2.017 18 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 18 L C 2.352 179.026 176.870 -0.327 0.000 1.073 18 L CA 2.895 57.613 54.840 -0.203 0.000 0.745 18 L CB -1.356 40.599 42.059 -0.174 0.000 0.894 18 L HN 0.344 nan 8.230 nan 0.000 0.432 19 T N -0.516 113.689 114.554 -0.581 0.000 2.822 19 T HA -0.222 4.128 4.350 -0.000 0.000 0.270 19 T C 1.756 176.259 174.700 -0.328 0.000 1.064 19 T CA 1.758 63.496 62.100 -0.604 0.000 1.131 19 T CB -0.135 68.230 68.868 -0.838 0.000 0.858 19 T HN 0.547 nan 8.240 nan 0.000 0.483 20 E N 0.215 120.263 120.200 -0.253 0.000 2.099 20 E HA 0.078 4.428 4.350 -0.000 0.000 0.191 20 E C 2.531 179.056 176.600 -0.124 0.000 0.962 20 E CA 0.580 56.882 56.400 -0.163 0.000 0.826 20 E CB -0.143 29.477 29.700 -0.133 0.000 0.788 20 E HN 0.395 nan 8.360 nan 0.000 0.461 21 A N 1.660 124.411 122.820 -0.116 0.000 1.903 21 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 21 A C 2.369 179.909 177.584 -0.074 0.000 1.191 21 A CA 2.400 54.389 52.037 -0.079 0.000 0.638 21 A CB -0.845 18.119 19.000 -0.059 0.000 0.823 21 A HN 0.411 nan 8.150 nan 0.000 0.451 22 A N -0.653 122.113 122.820 -0.090 0.000 1.897 22 A HA 0.288 4.608 4.320 -0.000 0.000 0.215 22 A C 2.527 180.064 177.584 -0.078 0.000 1.181 22 A CA 1.801 53.794 52.037 -0.073 0.000 0.620 22 A CB -1.100 17.849 19.000 -0.084 0.000 0.821 22 A HN 1.207 nan 8.150 nan 0.000 0.443 23 A N -0.192 122.568 122.820 -0.099 0.000 1.927 23 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 23 A C 2.484 180.026 177.584 -0.070 0.000 1.185 23 A CA 2.583 54.568 52.037 -0.086 0.000 0.639 23 A CB -1.122 17.818 19.000 -0.101 0.000 0.820 23 A HN 0.655 nan 8.150 nan 0.000 0.451 24 S N -0.741 114.915 115.700 -0.073 0.000 2.354 24 S HA -0.156 4.314 4.470 -0.000 0.000 0.219 24 S C 1.912 176.467 174.600 -0.074 0.000 1.035 24 S CA 1.892 60.051 58.200 -0.068 0.000 1.037 24 S CB -0.765 62.394 63.200 -0.069 0.000 0.956 24 S HN 0.398 nan 8.310 nan 0.000 0.428 25 V N 2.467 122.328 119.914 -0.088 0.000 2.317 25 V HA -0.199 3.921 4.120 -0.000 0.000 0.251 25 V C 3.045 179.105 176.094 -0.056 0.000 1.065 25 V CA 2.740 64.972 62.300 -0.113 0.000 1.049 25 V CB -1.934 29.824 31.823 -0.108 0.000 0.651 25 V HN 0.818 nan 8.190 nan 0.000 0.450 26 E N 0.423 120.600 120.200 -0.038 0.000 2.065 26 E HA -0.382 3.968 4.350 -0.000 0.000 0.201 26 E C 2.271 178.859 176.600 -0.020 0.000 1.016 26 E CA 3.175 59.563 56.400 -0.019 0.000 0.818 26 E CB -0.981 28.699 29.700 -0.033 0.000 0.749 26 E HN 0.745 nan 8.360 nan 0.000 0.453 27 K N 0.084 120.463 120.400 -0.034 0.000 1.968 27 K HA 0.245 4.565 4.320 -0.000 0.000 0.215 27 K C 2.422 179.002 176.600 -0.033 0.000 1.040 27 K CA 1.404 57.672 56.287 -0.031 0.000 0.959 27 K CB -1.351 31.127 32.500 -0.036 0.000 0.740 27 K HN 0.546 nan 8.250 nan 0.000 0.443 28 L N 0.937 122.131 121.223 -0.047 0.000 2.119 28 L HA -0.261 4.079 4.340 -0.000 0.000 0.226 28 L C 2.510 179.354 176.870 -0.043 0.000 1.093 28 L CA 2.179 56.988 54.840 -0.052 0.000 0.806 28 L CB -0.636 41.374 42.059 -0.080 0.000 0.902 28 L HN 0.511 nan 8.230 nan 0.000 0.444 29 L N -1.622 119.578 121.223 -0.039 0.000 1.994 29 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 29 L C 2.644 179.511 176.870 -0.005 0.000 1.071 29 L CA 1.359 56.191 54.840 -0.013 0.000 0.745 29 L CB -0.867 41.205 42.059 0.022 0.000 0.892 29 L HN 0.443 nan 8.230 nan 0.000 0.431 30 A N 0.151 122.968 122.820 -0.004 0.000 1.903 30 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 30 A C 2.395 179.974 177.584 -0.007 0.000 1.191 30 A CA 2.934 54.969 52.037 -0.003 0.000 0.638 30 A CB -1.095 17.901 19.000 -0.006 0.000 0.823 30 A HN 0.590 nan 8.150 nan 0.000 0.451 31 T N -1.640 112.907 114.554 -0.013 0.000 2.684 31 T HA 0.144 4.494 4.350 -0.000 0.000 0.253 31 T C 1.089 175.782 174.700 -0.011 0.000 1.057 31 T CA 0.650 62.742 62.100 -0.013 0.000 1.162 31 T CB -0.924 67.934 68.868 -0.017 0.000 0.868 31 T HN 0.285 nan 8.240 nan 0.000 0.409 32 L N 3.374 124.588 121.223 -0.014 0.000 2.517 32 L HA 0.186 4.526 4.340 -0.000 0.000 0.294 32 L C -1.325 175.541 176.870 -0.007 0.000 1.264 32 L CA -1.464 53.369 54.840 -0.011 0.000 0.839 32 L CB -0.483 41.567 42.059 -0.014 0.000 1.098 32 L HN 0.343 nan 8.230 nan 0.000 0.525 33 P HA 0.146 nan 4.420 nan 0.000 0.293 33 P C -0.108 177.191 177.300 -0.001 0.000 1.298 33 P CA -0.136 62.962 63.100 -0.003 0.000 0.757 33 P CB 0.253 31.951 31.700 -0.002 0.000 1.262 34 E N -1.674 118.525 120.200 -0.001 0.000 3.473 34 E HA 0.213 4.563 4.350 -0.000 0.000 0.309 34 E C 1.000 177.601 176.600 0.002 0.000 1.502 34 E CA 0.700 57.100 56.400 -0.001 0.000 1.525 34 E CB -1.684 nan 29.700 nan 0.000 1.183 34 E HN 0.864 nan 8.360 nan 0.000 0.757 35 H N -2.756 116.316 119.070 0.003 0.000 2.581 35 H HA 0.524 5.080 4.556 -0.000 0.000 0.369 35 H C 1.943 177.276 175.328 0.009 0.000 1.351 35 H CA 0.439 56.493 56.048 0.010 0.000 1.434 35 H CB 0.591 30.360 29.762 0.013 0.000 1.558 35 H HN 1.906 nan 8.280 nan 0.000 0.608 36 G N -1.217 107.590 108.800 0.012 0.000 2.562 36 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.241 36 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.241 36 G C 1.706 176.608 174.900 0.003 0.000 1.120 36 G CA 1.855 46.960 45.100 0.007 0.000 0.673 36 G HN 2.006 nan 8.290 nan 0.000 0.519 37 A N -0.144 122.678 122.820 0.003 0.000 2.250 37 A HA 0.478 4.798 4.320 -0.000 0.000 0.208 37 A C 1.414 178.998 177.584 -0.000 0.000 1.254 37 A CA 0.920 52.957 52.037 0.000 0.000 0.858 37 A CB -0.134 18.866 19.000 -0.000 0.000 0.820 37 A HN 0.223 nan 8.150 nan 0.000 0.484 38 R N 1.196 121.696 120.500 0.001 0.000 3.171 38 R HA 0.277 4.617 4.340 -0.000 0.000 0.241 38 R C -0.750 175.550 176.300 -0.000 0.000 1.421 38 R CA -0.178 55.923 56.100 0.003 0.000 1.444 38 R CB -0.708 29.597 30.300 0.009 0.000 1.247 38 R HN 0.269 nan 8.270 nan 0.000 0.636 39 S N 1.037 116.736 115.700 -0.003 0.000 2.455 39 S HA 0.143 4.613 4.470 -0.000 0.000 0.278 39 S C 0.204 174.800 174.600 -0.005 0.000 1.216 39 S CA -0.238 57.960 58.200 -0.005 0.000 1.055 39 S CB 0.650 63.847 63.200 -0.005 0.000 0.939 39 S HN 0.468 nan 8.310 nan 0.000 0.494 40 S N 1.839 117.536 115.700 -0.005 0.000 2.383 40 S HA 0.586 5.056 4.470 -0.000 0.000 0.196 40 S C 0.240 174.837 174.600 -0.005 0.000 1.364 40 S CA -0.197 58.000 58.200 -0.005 0.000 1.212 40 S CB 0.396 63.592 63.200 -0.006 0.000 1.171 40 S HN 1.653 nan 8.310 nan 0.000 0.456 41 A N 0.349 123.168 122.820 -0.002 0.000 2.905 41 A HA -0.141 4.179 4.320 -0.000 0.000 0.260 41 A C 1.356 178.937 177.584 -0.005 0.000 1.398 41 A CA 1.857 53.893 52.037 -0.002 0.000 0.840 41 A CB -2.717 16.281 19.000 -0.003 0.000 1.059 41 A HN 1.696 nan 8.150 nan 0.000 0.647 42 E N -1.408 118.789 120.200 -0.006 0.000 2.150 42 E HA 0.031 4.381 4.350 -0.000 0.000 0.193 42 E C 2.211 178.807 176.600 -0.007 0.000 0.985 42 E CA 2.504 58.899 56.400 -0.008 0.000 0.814 42 E CB -1.001 nan 29.700 nan 0.000 0.752 42 E HN 1.933 nan 8.360 nan 0.000 0.466 43 R N 0.204 120.706 120.500 0.003 0.000 2.057 43 R HA 0.448 4.788 4.340 -0.000 0.000 0.229 43 R C 2.889 179.199 176.300 0.017 0.000 1.136 43 R CA 1.834 57.945 56.100 0.017 0.000 0.952 43 R CB -1.359 nan 30.300 nan 0.000 0.848 43 R HN 0.894 nan 8.270 nan 0.000 0.430 44 A N 0.463 123.291 122.820 0.013 0.000 2.054 44 A HA -0.124 4.196 4.320 -0.000 0.000 0.223 44 A C 2.421 180.005 177.584 0.001 0.000 1.169 44 A CA 2.636 54.681 52.037 0.013 0.000 0.655 44 A CB -0.817 18.188 19.000 0.007 0.000 0.812 44 A HN 0.829 nan 8.150 nan 0.000 0.462 45 E N -0.576 119.617 120.200 -0.013 0.000 2.042 45 E HA 0.046 4.396 4.350 -0.000 0.000 0.189 45 E C 1.907 178.470 176.600 -0.062 0.000 0.974 45 E CA 1.088 57.469 56.400 -0.031 0.000 0.806 45 E CB -0.701 28.980 29.700 -0.033 0.000 0.769 45 E HN 0.571 nan 8.360 nan 0.000 0.451 46 I N 1.172 121.697 120.570 -0.075 0.000 2.099 46 I HA -0.063 4.107 4.170 -0.000 0.000 0.239 46 I C 2.664 178.695 176.117 -0.143 0.000 1.066 46 I CA 1.483 62.683 61.300 -0.167 0.000 1.324 46 I CB -0.861 37.073 38.000 -0.110 0.000 1.037 46 I HN 0.401 nan 8.210 nan 0.000 0.401 47 A N 0.905 123.745 122.820 0.033 0.000 1.997 47 A HA -0.414 3.906 4.320 -0.000 0.000 0.237 47 A C 2.539 180.158 177.584 0.059 0.000 1.807 47 A CA 3.632 55.727 52.037 0.096 0.000 0.863 47 A CB -1.896 17.146 19.000 0.070 0.000 0.821 47 A HN 0.707 nan 8.150 nan 0.000 0.500 48 A N -1.110 121.722 122.820 0.019 0.000 1.903 48 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 48 A C 2.620 180.201 177.584 -0.005 0.000 1.191 48 A CA 3.279 55.323 52.037 0.011 0.000 0.638 48 A CB -1.393 17.606 19.000 -0.002 0.000 0.823 48 A HN 1.706 nan 8.150 nan 0.000 0.451 49 A N -0.989 121.795 122.820 -0.060 0.000 1.873 49 A HA -0.279 4.040 4.320 -0.000 0.000 0.218 49 A C 2.096 179.647 177.584 -0.055 0.000 1.193 49 A CA 1.977 53.953 52.037 -0.101 0.000 0.629 49 A CB -1.068 17.811 19.000 -0.202 0.000 0.826 49 A HN 0.682 nan 8.150 nan 0.000 0.447 50 H N -0.804 118.267 119.070 0.002 0.000 2.290 50 H HA -0.152 4.404 4.556 -0.000 0.000 0.298 50 H C 2.023 177.354 175.328 0.006 0.000 1.087 50 H CA 1.968 58.019 56.048 0.005 0.000 1.291 50 H CB -0.769 28.997 29.762 0.006 0.000 1.369 50 H HN 0.644 nan 8.280 nan 0.000 0.492 51 D N 0.133 120.621 120.400 0.147 0.000 2.116 51 D HA -0.129 4.511 4.640 -0.000 0.000 0.193 51 D C 2.213 178.547 176.300 0.057 0.000 0.998 51 D CA 1.594 55.643 54.000 0.082 0.000 0.836 51 D CB -0.105 40.731 40.800 0.061 0.000 0.951 51 D HN 0.359 nan 8.370 nan 0.000 0.449 52 A N -0.062 122.783 122.820 0.042 0.000 2.015 52 A HA 0.093 4.413 4.320 -0.000 0.000 0.219 52 A C 2.181 179.782 177.584 0.028 0.000 1.163 52 A CA 1.814 53.866 52.037 0.025 0.000 0.646 52 A CB -0.636 18.368 19.000 0.006 0.000 0.806 52 A HN 0.318 nan 8.150 nan 0.000 0.448 53 A N -0.078 122.767 122.820 0.040 0.000 1.855 53 A HA -0.027 4.293 4.320 -0.000 0.000 0.213 53 A C 2.212 179.832 177.584 0.060 0.000 1.195 53 A CA 1.229 53.291 52.037 0.041 0.000 0.610 53 A CB -0.399 18.633 19.000 0.054 0.000 0.837 53 A HN 0.479 nan 8.150 nan 0.000 0.444 54 R N -0.265 120.279 120.500 0.073 0.000 2.096 54 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 54 R C 2.416 178.755 176.300 0.066 0.000 1.127 54 R CA 1.162 57.303 56.100 0.069 0.000 0.968 54 R CB -0.473 29.860 30.300 0.055 0.000 0.861 54 R HN 0.505 nan 8.270 nan 0.000 0.440 55 A N 1.064 123.918 122.820 0.056 0.000 1.908 55 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 55 A C 2.118 179.740 177.584 0.064 0.000 1.181 55 A CA 1.286 53.352 52.037 0.049 0.000 0.627 55 A CB -0.502 18.521 19.000 0.038 0.000 0.818 55 A HN 0.217 nan 8.150 nan 0.000 0.445 56 L N -1.287 119.977 121.223 0.069 0.000 2.156 56 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 56 L C 2.809 179.772 176.870 0.156 0.000 1.095 56 L CA 0.782 55.676 54.840 0.091 0.000 0.770 56 L CB -0.366 41.725 42.059 0.053 0.000 0.914 56 L HN 0.366 nan 8.230 nan 0.000 0.439 57 R N -0.596 119.994 120.500 0.150 0.000 2.105 57 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 57 R C 2.142 178.571 176.300 0.215 0.000 1.135 57 R CA 1.296 57.528 56.100 0.220 0.000 0.967 57 R CB -0.549 29.852 30.300 0.169 0.000 0.861 57 R HN 0.235 nan 8.270 nan 0.000 0.442 58 V N 0.982 120.976 119.914 0.132 0.000 2.244 58 V HA -0.236 3.884 4.120 -0.000 0.000 0.244 58 V C 2.314 178.453 176.094 0.075 0.000 1.042 58 V CA 1.708 64.056 62.300 0.082 0.000 1.006 58 V CB -0.536 31.314 31.823 0.045 0.000 0.641 58 V HN 0.288 nan 8.190 nan 0.000 0.446 59 R N -0.683 119.871 120.500 0.091 0.000 2.117 59 R HA -0.219 4.121 4.340 -0.000 0.000 0.243 59 R C 2.215 178.580 176.300 0.108 0.000 1.143 59 R CA 2.079 58.224 56.100 0.075 0.000 0.968 59 R CB -0.613 29.736 30.300 0.082 0.000 0.863 59 R HN 0.529 nan 8.270 nan 0.000 0.444 60 F N 1.384 121.364 119.950 0.050 0.000 2.102 60 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 60 F C 1.782 177.603 175.800 0.035 0.000 1.105 60 F CA 1.413 59.471 58.000 0.098 0.000 1.239 60 F CB -0.387 38.759 39.000 0.244 0.000 0.991 60 F HN -0.107 nan 8.300 nan 0.000 0.474 61 L N -0.125 120.980 121.223 -0.198 0.000 2.156 61 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 61 L C 2.075 178.796 176.870 -0.249 0.000 1.095 61 L CA 1.122 55.766 54.840 -0.326 0.000 0.770 61 L CB -0.811 41.166 42.059 -0.137 0.000 0.914 61 L HN 0.087 nan 8.230 nan 0.000 0.439 62 D N -0.241 120.062 120.400 -0.162 0.000 2.265 62 D HA -0.138 4.502 4.640 -0.000 0.000 0.208 62 D C 1.806 177.996 176.300 -0.183 0.000 0.977 62 D CA 1.967 55.882 54.000 -0.142 0.000 0.871 62 D CB 0.176 40.922 40.800 -0.089 0.000 0.925 62 D HN 0.462 nan 8.370 nan 0.000 0.485 63 T N -3.822 110.561 114.554 -0.286 0.000 2.975 63 T HA 0.117 4.467 4.350 -0.000 0.000 0.257 63 T C 1.111 175.570 174.700 -0.402 0.000 1.003 63 T CA -0.074 61.812 62.100 -0.355 0.000 0.932 63 T CB 0.032 68.630 68.868 -0.450 0.000 1.087 63 T HN 0.233 nan 8.240 nan 0.000 0.512 64 H N -0.070 118.813 119.070 -0.311 0.000 2.916 64 H HA 0.652 5.208 4.556 -0.000 0.000 0.262 64 H C 2.063 177.138 175.328 -0.420 0.000 1.178 64 H CA -0.114 55.699 56.048 -0.392 0.000 1.090 64 H CB 0.555 29.946 29.762 -0.618 0.000 1.657 64 H HN 0.349 nan 8.280 nan 0.000 0.601 65 A N 1.105 123.772 122.820 -0.255 0.000 1.851 65 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 65 A C 1.890 179.394 177.584 -0.134 0.000 1.195 65 A CA 2.000 53.898 52.037 -0.230 0.000 0.622 65 A CB -0.348 18.507 19.000 -0.241 0.000 0.831 65 A HN 0.329 nan 8.150 nan 0.000 0.444 66 D N 0.019 120.355 120.400 -0.107 0.000 2.133 66 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 66 D C 2.235 178.512 176.300 -0.038 0.000 0.997 66 D CA 1.625 55.593 54.000 -0.052 0.000 0.840 66 D CB -0.382 40.385 40.800 -0.055 0.000 0.947 66 D HN 0.458 nan 8.370 nan 0.000 0.452 67 A N 0.990 123.774 122.820 -0.061 0.000 1.835 67 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 67 A C 2.635 180.175 177.584 -0.074 0.000 1.199 67 A CA 1.640 53.633 52.037 -0.074 0.000 0.615 67 A CB -1.016 17.949 19.000 -0.058 0.000 0.838 67 A HN 0.124 nan 8.150 nan 0.000 0.444 68 V N -1.305 118.534 119.914 -0.126 0.000 2.313 68 V HA -0.344 3.776 4.120 -0.000 0.000 0.253 68 V C 2.393 178.454 176.094 -0.054 0.000 1.070 68 V CA 2.544 64.707 62.300 -0.228 0.000 1.057 68 V CB -1.083 30.463 31.823 -0.462 0.000 0.653 68 V HN 0.678 nan 8.190 nan 0.000 0.450 69 Y N 0.933 121.165 120.300 -0.113 0.000 2.200 69 Y HA -0.185 4.365 4.550 -0.000 0.000 0.290 69 Y C 2.470 178.311 175.900 -0.099 0.000 1.137 69 Y CA 1.854 59.916 58.100 -0.063 0.000 1.163 69 Y CB -0.313 38.083 38.460 -0.108 0.000 0.988 69 Y HN 0.302 nan 8.280 nan 0.000 0.518 70 D N -0.249 120.075 120.400 -0.126 0.000 2.144 70 D HA -0.192 4.448 4.640 -0.000 0.000 0.199 70 D C 2.212 178.334 176.300 -0.297 0.000 0.984 70 D CA 1.183 54.976 54.000 -0.344 0.000 0.834 70 D CB -0.263 40.165 40.800 -0.622 0.000 0.955 70 D HN 0.348 nan 8.370 nan 0.000 0.465 71 R N 0.344 120.759 120.500 -0.142 0.000 2.090 71 R HA 0.008 4.348 4.340 -0.000 0.000 0.228 71 R C 2.365 178.656 176.300 -0.015 0.000 1.110 71 R CA 0.430 56.515 56.100 -0.025 0.000 0.973 71 R CB -0.112 30.252 30.300 0.107 0.000 0.869 71 R HN 0.166 nan 8.270 nan 0.000 0.440 72 L N 0.030 121.227 121.223 -0.044 0.000 2.291 72 L HA -0.036 4.304 4.340 -0.000 0.000 0.214 72 L C 1.380 178.166 176.870 -0.140 0.000 1.120 72 L CA 1.393 56.199 54.840 -0.056 0.000 0.799 72 L CB 0.080 42.113 42.059 -0.042 0.000 0.925 72 L HN 0.310 nan 8.230 nan 0.000 0.446 73 T N -5.427 108.976 114.554 -0.251 0.000 3.380 73 T HA 0.152 4.502 4.350 -0.000 0.000 0.289 73 T C 0.297 174.919 174.700 -0.129 0.000 1.012 73 T CA -0.346 61.621 62.100 -0.222 0.000 0.944 73 T CB -0.124 68.497 68.868 -0.412 0.000 1.172 73 T HN 0.185 nan 8.240 nan 0.000 0.502 74 D N 2.346 122.715 120.400 -0.052 0.000 2.692 74 D HA -0.261 4.379 4.640 -0.000 0.000 0.233 74 D C -0.508 175.880 176.300 0.147 0.000 1.172 74 D CA 1.078 55.118 54.000 0.066 0.000 0.636 74 D CB -1.997 38.825 40.800 0.037 0.000 1.028 74 D HN 0.873 nan 8.370 nan 0.000 0.419 75 H N -0.990 118.022 119.070 -0.098 0.000 2.935 75 H HA -0.176 4.380 4.556 -0.000 0.000 0.341 75 H C 0.340 175.585 175.328 -0.138 0.000 1.161 75 H CA 0.933 56.930 56.048 -0.085 0.000 1.135 75 H CB -1.175 28.560 29.762 -0.045 0.000 1.605 75 H HN 0.459 nan 8.280 nan 0.000 0.409 76 R N -0.434 119.935 120.500 -0.218 0.000 3.266 76 R HA -0.302 4.038 4.340 -0.000 0.000 0.245 76 R C 1.405 177.556 176.300 -0.248 0.000 0.941 76 R CA 1.305 57.084 56.100 -0.534 0.000 0.638 76 R CB -0.717 29.387 30.300 -0.328 0.000 1.019 76 R HN 0.673 nan 8.270 nan 0.000 0.462 77 R N -0.028 120.400 120.500 -0.119 0.000 2.446 77 R HA 0.166 4.506 4.340 -0.000 0.000 0.254 77 R C -0.504 175.780 176.300 -0.027 0.000 0.918 77 R CA 0.197 56.280 56.100 -0.028 0.000 1.069 77 R CB 1.197 31.496 30.300 -0.002 0.000 1.194 77 R HN 0.056 nan 8.270 nan 0.000 0.534 78 V N 2.456 122.369 119.914 -0.002 0.000 2.447 78 V HA 0.286 4.406 4.120 -0.000 0.000 0.292 78 V C -0.901 175.283 176.094 0.150 0.000 1.021 78 V CA -1.045 61.271 62.300 0.026 0.000 0.850 78 V CB 1.300 33.138 31.823 0.024 0.000 1.005 78 V HN 0.215 nan 8.190 nan 0.000 0.426 79 H N 5.516 124.694 119.070 0.180 0.000 2.899 79 H HA 0.438 4.994 4.556 -0.000 0.000 0.303 79 H C -0.429 174.957 175.328 0.096 0.000 1.042 79 H CA 0.216 56.321 56.048 0.096 0.000 1.479 79 H CB 0.924 30.676 29.762 -0.017 0.000 1.493 79 H HN 0.432 nan 8.280 nan 0.000 0.534 80 L N 4.336 125.714 121.223 0.259 0.000 2.356 80 L HA 0.402 4.742 4.340 -0.000 0.000 0.277 80 L C 0.718 177.689 176.870 0.168 0.000 0.996 80 L CA -0.663 54.283 54.840 0.176 0.000 0.822 80 L CB 1.929 44.074 42.059 0.142 0.000 1.256 80 L HN 0.403 nan 8.230 nan 0.000 0.413 81 R N 1.658 122.234 120.500 0.127 0.000 2.707 81 R HA 0.222 4.562 4.340 -0.000 0.000 0.270 81 R C 1.217 177.596 176.300 0.133 0.000 1.083 81 R CA -0.422 55.747 56.100 0.114 0.000 1.182 81 R CB 0.641 30.994 30.300 0.089 0.000 1.084 81 R HN 0.591 nan 8.270 nan 0.000 0.528 82 L N 1.255 122.556 121.223 0.130 0.000 1.991 82 L HA -0.373 3.967 4.340 -0.000 0.000 0.221 82 L C 2.514 179.465 176.870 0.136 0.000 1.079 82 L CA 2.041 56.968 54.840 0.144 0.000 0.778 82 L CB -0.795 41.339 42.059 0.125 0.000 0.893 82 L HN 0.860 nan 8.230 nan 0.000 0.437 83 A N -0.288 122.598 122.820 0.110 0.000 1.851 83 A HA -0.266 4.054 4.320 -0.000 0.000 0.216 83 A C 2.065 179.701 177.584 0.086 0.000 1.195 83 A CA 2.102 54.194 52.037 0.093 0.000 0.622 83 A CB -0.636 18.411 19.000 0.079 0.000 0.831 83 A HN 0.416 nan 8.150 nan 0.000 0.444 84 E N -0.510 119.742 120.200 0.087 0.000 2.065 84 E HA -0.220 4.130 4.350 -0.000 0.000 0.201 84 E C 1.905 178.557 176.600 0.086 0.000 1.016 84 E CA 1.388 57.835 56.400 0.078 0.000 0.818 84 E CB -0.586 29.163 29.700 0.082 0.000 0.749 84 E HN 0.499 nan 8.360 nan 0.000 0.453 85 L N 0.431 121.730 121.223 0.128 0.000 2.013 85 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 85 L C 2.339 179.277 176.870 0.114 0.000 1.073 85 L CA 1.893 56.833 54.840 0.167 0.000 0.753 85 L CB -0.631 41.606 42.059 0.297 0.000 0.890 85 L HN 0.230 nan 8.230 nan 0.000 0.432 86 V N -2.980 116.997 119.914 0.104 0.000 2.515 86 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 86 V C 2.376 178.437 176.094 -0.054 0.000 1.058 86 V CA 1.732 64.017 62.300 -0.023 0.000 1.064 86 V CB -1.011 30.843 31.823 0.053 0.000 0.675 86 V HN 0.589 nan 8.190 nan 0.000 0.461 87 E N 1.643 121.848 120.200 0.008 0.000 2.015 87 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 87 E C 2.215 178.816 176.600 0.003 0.000 0.991 87 E CA 1.776 58.182 56.400 0.010 0.000 0.802 87 E CB -0.724 28.994 29.700 0.029 0.000 0.759 87 E HN 0.604 nan 8.360 nan 0.000 0.447 88 A N 0.998 123.827 122.820 0.015 0.000 1.948 88 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 88 A C 2.444 180.046 177.584 0.031 0.000 1.177 88 A CA 2.374 54.426 52.037 0.025 0.000 0.636 88 A CB -1.181 17.839 19.000 0.033 0.000 0.815 88 A HN 0.438 nan 8.150 nan 0.000 0.449 89 A N -0.322 122.472 122.820 -0.044 0.000 1.902 89 A HA 0.165 4.485 4.320 -0.000 0.000 0.217 89 A C 2.529 180.117 177.584 0.006 0.000 1.181 89 A CA 2.135 54.105 52.037 -0.111 0.000 0.623 89 A CB -1.063 17.555 19.000 -0.636 0.000 0.818 89 A HN 1.113 nan 8.150 nan 0.000 0.443 90 A N -0.146 122.654 122.820 -0.034 0.000 1.865 90 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 90 A C 2.480 180.099 177.584 0.057 0.000 1.191 90 A CA 2.834 54.880 52.037 0.014 0.000 0.623 90 A CB -1.511 17.488 19.000 -0.002 0.000 0.826 90 A HN 0.828 nan 8.150 nan 0.000 0.444 91 T N -2.880 111.698 114.554 0.040 0.000 2.951 91 T HA 0.256 4.606 4.350 -0.000 0.000 0.268 91 T C 1.643 176.347 174.700 0.008 0.000 1.073 91 T CA 1.394 63.510 62.100 0.026 0.000 1.134 91 T CB -0.226 68.649 68.868 0.012 0.000 0.884 91 T HN 0.563 nan 8.240 nan 0.000 0.479 92 A N 0.016 122.853 122.820 0.028 0.000 2.195 92 A HA 0.542 4.862 4.320 -0.000 0.000 0.210 92 A C 0.589 177.925 177.584 -0.414 0.000 1.165 92 A CA -0.153 51.802 52.037 -0.137 0.000 0.806 92 A CB -0.166 18.809 19.000 -0.041 0.000 0.847 92 A HN 0.541 nan 8.150 nan 0.000 0.482 93 F N 0.535 120.494 119.950 0.015 0.000 2.664 93 F HA 0.244 4.771 4.527 -0.000 0.000 0.353 93 F C -2.532 173.426 175.800 0.264 0.000 1.498 93 F CA -2.091 55.972 58.000 0.105 0.000 1.109 93 F CB 1.187 40.176 39.000 -0.019 0.000 1.728 93 F HN -0.026 nan 8.300 nan 0.000 0.580 94 P HA 0.089 nan 4.420 nan 0.000 0.261 94 P C 0.914 178.329 177.300 0.191 0.000 1.173 94 P CA 1.676 64.888 63.100 0.187 0.000 0.760 94 P CB 1.201 32.963 31.700 0.103 0.000 0.783 95 G N 2.265 111.123 108.800 0.097 0.000 2.313 95 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.215 95 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.215 95 G C 0.621 175.577 174.900 0.092 0.000 1.023 95 G CA 0.223 45.343 45.100 0.032 0.000 0.626 95 G HN 0.529 nan 8.290 nan 0.000 0.503 96 L N 1.349 122.709 121.223 0.229 0.000 2.005 96 L HA 0.501 4.841 4.340 -0.000 0.000 0.207 96 L C 1.383 178.305 176.870 0.086 0.000 1.072 96 L CA 2.622 57.602 54.840 0.234 0.000 0.744 96 L CB 0.011 42.248 42.059 0.297 0.000 0.895 96 L HN 1.142 nan 8.230 nan 0.000 0.433 97 V N -5.295 114.627 119.914 0.013 0.000 2.888 97 V HA 0.596 4.716 4.120 -0.000 0.000 0.309 97 V C -2.676 173.391 176.094 -0.044 0.000 1.114 97 V CA -2.168 60.106 62.300 -0.042 0.000 0.940 97 V CB 0.946 32.688 31.823 -0.135 0.000 1.021 97 V HN -0.065 nan 8.190 nan 0.000 0.426 98 P HA 0.133 nan 4.420 nan 0.000 0.268 98 P C 0.252 177.556 177.300 0.006 0.000 1.189 98 P CA 0.687 63.768 63.100 -0.032 0.000 0.771 98 P CB 0.169 31.904 31.700 0.058 0.000 0.822 99 T N -1.692 112.875 114.554 0.023 0.000 2.881 99 T HA 0.173 4.523 4.350 -0.000 0.000 0.278 99 T C 1.169 175.894 174.700 0.041 0.000 0.982 99 T CA -0.484 61.632 62.100 0.028 0.000 0.989 99 T CB 0.822 69.706 68.868 0.027 0.000 1.058 99 T HN 0.428 nan 8.240 nan 0.000 0.529 100 Q N -0.036 119.784 119.800 0.034 0.000 2.152 100 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 100 Q C 2.263 178.287 176.000 0.039 0.000 0.985 100 Q CA 1.871 57.695 55.803 0.036 0.000 0.863 100 Q CB -0.160 28.596 28.738 0.029 0.000 0.904 100 Q HN 0.808 nan 8.270 nan 0.000 0.422 101 Q N -0.374 119.449 119.800 0.038 0.000 1.994 101 Q HA -0.206 4.134 4.340 -0.000 0.000 0.198 101 Q C 2.189 178.222 176.000 0.056 0.000 0.976 101 Q CA 1.457 57.283 55.803 0.039 0.000 0.828 101 Q CB -0.082 28.676 28.738 0.033 0.000 0.894 101 Q HN 0.357 nan 8.270 nan 0.000 0.432 102 Q N 0.764 120.612 119.800 0.080 0.000 2.029 102 Q HA -0.205 4.135 4.340 -0.000 0.000 0.209 102 Q C 2.088 178.164 176.000 0.125 0.000 0.999 102 Q CA 1.627 57.514 55.803 0.140 0.000 0.857 102 Q CB -0.320 28.551 28.738 0.222 0.000 0.926 102 Q HN 0.324 nan 8.270 nan 0.000 0.415 103 L N -0.397 120.897 121.223 0.117 0.000 2.043 103 L HA -0.309 4.031 4.340 -0.000 0.000 0.212 103 L C 2.333 179.234 176.870 0.052 0.000 1.075 103 L CA 1.126 56.020 54.840 0.090 0.000 0.752 103 L CB -0.718 41.390 42.059 0.080 0.000 0.891 103 L HN 0.344 nan 8.230 nan 0.000 0.432 104 A N -0.225 122.621 122.820 0.043 0.000 1.851 104 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 104 A C 2.272 179.865 177.584 0.015 0.000 1.195 104 A CA 2.119 54.171 52.037 0.025 0.000 0.622 104 A CB -1.028 17.985 19.000 0.023 0.000 0.831 104 A HN 0.190 nan 8.150 nan 0.000 0.444 105 V N 0.317 120.241 119.914 0.018 0.000 2.250 105 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 105 V C 2.649 178.733 176.094 -0.016 0.000 1.060 105 V CA 2.416 64.718 62.300 0.003 0.000 1.030 105 V CB -0.891 30.936 31.823 0.007 0.000 0.643 105 V HN 0.545 nan 8.190 nan 0.000 0.445 106 E N 0.591 120.776 120.200 -0.025 0.000 2.012 106 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 106 E C 2.467 179.062 176.600 -0.007 0.000 1.007 106 E CA 1.991 58.362 56.400 -0.048 0.000 0.816 106 E CB -0.416 29.246 29.700 -0.063 0.000 0.762 106 E HN 0.618 nan 8.360 nan 0.000 0.451 107 R N 1.160 121.667 120.500 0.011 0.000 2.421 107 R HA -0.042 4.298 4.340 -0.000 0.000 0.208 107 R C 1.633 177.928 176.300 -0.008 0.000 1.103 107 R CA 1.389 57.494 56.100 0.008 0.000 1.065 107 R CB -1.284 29.021 30.300 0.008 0.000 0.839 107 R HN 0.254 nan 8.270 nan 0.000 0.480 108 S N -1.422 114.274 115.700 -0.007 0.000 2.668 108 S HA 0.545 5.015 4.470 -0.000 0.000 0.244 108 S C -0.011 174.584 174.600 -0.008 0.000 1.140 108 S CA -0.716 57.478 58.200 -0.010 0.000 1.134 108 S CB -0.585 62.610 63.200 -0.008 0.000 0.954 108 S HN 0.359 nan 8.310 nan 0.000 0.490 109 L N -0.087 121.133 121.223 -0.005 0.000 2.161 109 L HA 0.727 5.067 4.340 -0.000 0.000 0.248 109 L C -2.602 174.273 176.870 0.008 0.000 1.088 109 L CA -2.697 52.141 54.840 -0.003 0.000 0.987 109 L CB 1.090 43.140 42.059 -0.016 0.000 1.563 109 L HN -0.082 nan 8.230 nan 0.000 0.472 110 P HA 0.141 nan 4.420 nan 0.000 0.253 110 P C 0.023 177.348 177.300 0.040 0.000 1.667 110 P CA -0.261 62.854 63.100 0.025 0.000 1.118 110 P CB 1.579 33.292 31.700 0.022 0.000 1.595 111 Q N 4.356 124.189 119.800 0.055 0.000 2.135 111 Q HA -0.329 4.011 4.340 -0.000 0.000 0.218 111 Q C 1.555 177.620 176.000 0.108 0.000 1.058 111 Q CA 3.065 58.929 55.803 0.102 0.000 0.926 111 Q CB -0.825 27.962 28.738 0.081 0.000 1.065 111 Q HN 0.491 nan 8.270 nan 0.000 0.433 112 A N -0.588 122.283 122.820 0.086 0.000 2.309 112 A HA 0.152 4.472 4.320 -0.000 0.000 0.210 112 A C 0.856 178.489 177.584 0.081 0.000 1.216 112 A CA 1.290 53.383 52.037 0.095 0.000 0.731 112 A CB -0.482 18.569 19.000 0.086 0.000 0.762 112 A HN 0.534 nan 8.150 nan 0.000 0.497 113 A N 0.012 122.858 122.820 0.044 0.000 3.453 113 A HA 0.542 4.862 4.320 -0.000 0.000 0.262 113 A C -0.270 177.293 177.584 -0.035 0.000 1.026 113 A CA -0.627 51.420 52.037 0.017 0.000 0.938 113 A CB 0.329 19.341 19.000 0.020 0.000 1.246 113 A HN 0.314 nan 8.150 nan 0.000 0.546 114 K N 0.064 120.405 120.400 -0.099 0.000 2.435 114 K HA 0.483 4.803 4.320 -0.000 0.000 0.251 114 K C -0.067 176.348 176.600 -0.309 0.000 0.954 114 K CA -0.907 55.258 56.287 -0.204 0.000 0.820 114 K CB 1.812 34.176 32.500 -0.226 0.000 1.292 114 K HN 0.052 nan 8.250 nan 0.000 0.436 115 E N 0.544 120.536 120.200 -0.347 0.000 2.204 115 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 115 E C 0.732 176.993 176.600 -0.566 0.000 0.990 115 E CA 1.386 57.587 56.400 -0.332 0.000 0.821 115 E CB -0.125 29.457 29.700 -0.196 0.000 0.750 115 E HN 1.028 nan 8.360 nan 0.000 0.477 116 G N 0.801 109.183 108.800 -0.697 0.000 2.215 116 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.198 116 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.198 116 G C 0.395 175.091 174.900 -0.341 0.000 1.047 116 G CA 0.300 44.862 45.100 -0.897 0.000 0.747 116 G HN 0.451 nan 8.290 nan 0.000 0.495 117 H N -0.291 118.615 119.070 -0.273 0.000 2.456 117 H HA -0.058 4.498 4.556 -0.000 0.000 0.296 117 H C 2.417 177.745 175.328 -0.000 0.000 1.079 117 H CA 1.271 57.260 56.048 -0.099 0.000 1.322 117 H CB 0.325 30.061 29.762 -0.043 0.000 1.388 117 H HN 0.613 nan 8.280 nan 0.000 0.538 118 E N 0.786 121.115 120.200 0.215 0.000 2.160 118 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 118 E C 2.124 178.832 176.600 0.180 0.000 0.991 118 E CA 0.679 57.223 56.400 0.239 0.000 0.810 118 E CB -0.029 29.882 29.700 0.352 0.000 0.742 118 E HN 0.565 nan 8.360 nan 0.000 0.466 119 I N 1.768 122.438 120.570 0.166 0.000 2.248 119 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 119 I C 1.838 178.000 176.117 0.075 0.000 1.107 119 I CA 1.084 62.441 61.300 0.096 0.000 1.373 119 I CB -0.313 37.709 38.000 0.036 0.000 1.055 119 I HN 0.032 nan 8.210 nan 0.000 0.418 120 D N 0.505 120.950 120.400 0.074 0.000 2.117 120 D HA -0.188 4.452 4.640 -0.000 0.000 0.197 120 D C 2.242 178.611 176.300 0.115 0.000 0.987 120 D CA 1.178 55.223 54.000 0.076 0.000 0.829 120 D CB -0.268 40.551 40.800 0.032 0.000 0.961 120 D HN 0.451 nan 8.370 nan 0.000 0.460 121 Q N -0.004 119.866 119.800 0.116 0.000 2.170 121 Q HA -0.057 4.283 4.340 -0.000 0.000 0.203 121 Q C 2.226 178.323 176.000 0.163 0.000 0.976 121 Q CA 1.246 57.139 55.803 0.149 0.000 0.858 121 Q CB -0.194 28.620 28.738 0.127 0.000 0.907 121 Q HN 0.277 nan 8.270 nan 0.000 0.433 122 G N 1.107 109.968 108.800 0.102 0.000 2.402 122 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.216 122 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.216 122 G C 1.387 176.317 174.900 0.050 0.000 1.162 122 G CA 0.409 45.539 45.100 0.050 0.000 0.777 122 G HN 0.239 nan 8.290 nan 0.000 0.539 123 I N -0.341 120.274 120.570 0.076 0.000 2.567 123 I HA -0.076 4.094 4.170 -0.000 0.000 0.257 123 I C 2.300 178.473 176.117 0.093 0.000 1.184 123 I CA 0.657 61.997 61.300 0.067 0.000 1.451 123 I CB -0.176 37.876 38.000 0.087 0.000 1.089 123 I HN 0.176 nan 8.210 nan 0.000 0.441 124 F N 1.482 121.432 119.950 0.001 0.000 2.147 124 F HA -0.022 4.505 4.527 -0.000 0.000 0.291 124 F C 2.188 177.978 175.800 -0.017 0.000 1.093 124 F CA 1.289 59.286 58.000 -0.005 0.000 1.263 124 F CB -0.250 38.761 39.000 0.018 0.000 1.036 124 F HN -0.187 nan 8.300 nan 0.000 0.481 125 L N 0.319 121.528 121.223 -0.024 0.000 2.079 125 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 125 L C 2.686 179.436 176.870 -0.199 0.000 1.081 125 L CA 1.768 56.534 54.840 -0.123 0.000 0.752 125 L CB -0.694 41.377 42.059 0.020 0.000 0.896 125 L HN 0.186 nan 8.230 nan 0.000 0.433 126 R N 0.422 120.833 120.500 -0.147 0.000 2.061 126 R HA -0.151 4.189 4.340 -0.000 0.000 0.230 126 R C 2.399 178.580 176.300 -0.198 0.000 1.140 126 R CA 1.511 57.520 56.100 -0.151 0.000 0.940 126 R CB -0.350 29.886 30.300 -0.106 0.000 0.839 126 R HN 0.260 nan 8.270 nan 0.000 0.429 127 A N 0.448 123.142 122.820 -0.210 0.000 1.940 127 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 127 A C 2.290 179.683 177.584 -0.318 0.000 1.176 127 A CA 1.728 53.627 52.037 -0.231 0.000 0.631 127 A CB -0.578 18.298 19.000 -0.207 0.000 0.814 127 A HN 0.277 nan 8.150 nan 0.000 0.446 128 V N -0.300 119.337 119.914 -0.461 0.000 2.427 128 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 128 V C 2.447 178.298 176.094 -0.404 0.000 1.051 128 V CA 1.838 63.824 62.300 -0.523 0.000 1.048 128 V CB -0.538 30.870 31.823 -0.692 0.000 0.666 128 V HN 0.574 nan 8.190 nan 0.000 0.456 129 L N -0.890 120.148 121.223 -0.308 0.000 2.270 129 L HA -0.008 4.332 4.340 -0.000 0.000 0.210 129 L C 2.637 179.387 176.870 -0.200 0.000 1.104 129 L CA 0.917 55.612 54.840 -0.241 0.000 0.804 129 L CB -0.418 41.513 42.059 -0.213 0.000 0.937 129 L HN 0.196 nan 8.230 nan 0.000 0.450 130 R N -0.373 120.013 120.500 -0.189 0.000 2.148 130 R HA -0.060 4.280 4.340 -0.000 0.000 0.227 130 R C 1.233 177.450 176.300 -0.138 0.000 1.103 130 R CA 0.448 56.459 56.100 -0.147 0.000 0.983 130 R CB -0.207 30.012 30.300 -0.135 0.000 0.874 130 R HN 0.130 nan 8.270 nan 0.000 0.451 131 S N 1.942 117.539 115.700 -0.173 0.000 2.488 131 S HA 0.100 4.570 4.470 -0.000 0.000 0.278 131 S C -1.547 172.974 174.600 -0.132 0.000 1.259 131 S CA -1.532 56.575 58.200 -0.156 0.000 1.061 131 S CB 1.025 64.104 63.200 -0.202 0.000 0.910 131 S HN 0.038 nan 8.310 nan 0.000 0.491 132 P HA 0.021 nan 4.420 nan 0.000 0.242 132 P C 0.975 178.246 177.300 -0.048 0.000 1.197 132 P CA 0.413 63.477 63.100 -0.059 0.000 0.765 132 P CB 0.199 31.876 31.700 -0.038 0.000 0.936 133 L N -0.312 120.867 121.223 -0.073 0.000 2.208 133 L HA 0.135 4.475 4.340 -0.000 0.000 0.196 133 L C 2.761 179.573 176.870 -0.095 0.000 1.130 133 L CA 1.117 55.925 54.840 -0.054 0.000 0.791 133 L CB -1.270 40.758 42.059 -0.052 0.000 0.969 133 L HN -0.157 nan 8.230 nan 0.000 0.468 134 A N 0.381 123.053 122.820 -0.246 0.000 1.865 134 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 134 A C 2.236 179.599 177.584 -0.368 0.000 1.191 134 A CA 1.930 53.618 52.037 -0.581 0.000 0.623 134 A CB -1.618 16.774 19.000 -1.012 0.000 0.826 134 A HN 0.512 nan 8.150 nan 0.000 0.444 135 G N 0.429 109.066 108.800 -0.272 0.000 2.859 135 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.236 135 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.236 135 G C -0.186 174.670 174.900 -0.072 0.000 1.207 135 G CA 1.706 46.704 45.100 -0.170 0.000 0.769 135 G HN 0.471 nan 8.290 nan 0.000 0.674 136 P HA -0.167 nan 4.420 nan 0.000 0.217 136 P C 1.665 179.031 177.300 0.110 0.000 1.151 136 P CA 1.661 64.797 63.100 0.059 0.000 0.849 136 P CB -0.218 31.525 31.700 0.070 0.000 0.787 137 H N -0.609 118.498 119.070 0.061 0.000 2.326 137 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 137 H C 1.858 177.318 175.328 0.219 0.000 1.081 137 H CA 1.295 57.464 56.048 0.201 0.000 1.334 137 H CB -0.640 29.289 29.762 0.278 0.000 1.385 137 H HN -0.051 nan 8.280 nan 0.000 0.504 138 L N 1.182 122.524 121.223 0.198 0.000 2.046 138 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 138 L C 2.412 179.318 176.870 0.060 0.000 1.077 138 L CA 1.279 56.225 54.840 0.177 0.000 0.747 138 L CB -0.842 41.279 42.059 0.102 0.000 0.896 138 L HN 0.246 nan 8.230 nan 0.000 0.432 139 L N -0.875 120.373 121.223 0.041 0.000 2.093 139 L HA -0.149 4.190 4.340 -0.000 0.000 0.208 139 L C 1.864 178.757 176.870 0.039 0.000 1.085 139 L CA 1.058 55.947 54.840 0.082 0.000 0.755 139 L CB -0.725 41.414 42.059 0.134 0.000 0.904 139 L HN 0.239 nan 8.230 nan 0.000 0.435 140 D N -0.030 120.339 120.400 -0.052 0.000 2.371 140 D HA -0.023 4.617 4.640 -0.000 0.000 0.221 140 D C 1.867 177.916 176.300 -0.417 0.000 0.986 140 D CA 0.855 54.751 54.000 -0.173 0.000 0.899 140 D CB 0.462 41.174 40.800 -0.146 0.000 0.902 140 D HN 0.286 nan 8.370 nan 0.000 0.530 141 A N -0.135 122.477 122.820 -0.346 0.000 2.044 141 A HA 0.051 4.371 4.320 -0.000 0.000 0.213 141 A C 1.783 179.304 177.584 -0.105 0.000 1.169 141 A CA 0.324 52.168 52.037 -0.322 0.000 0.724 141 A CB 0.077 19.022 19.000 -0.091 0.000 0.840 141 A HN 0.073 nan 8.150 nan 0.000 0.463 142 M N -0.066 119.516 119.600 -0.030 0.000 2.453 142 M HA 0.305 4.785 4.480 -0.000 0.000 0.239 142 M C 1.015 177.331 176.300 0.026 0.000 1.151 142 M CA 0.359 55.676 55.300 0.029 0.000 0.989 142 M CB -0.251 32.396 32.600 0.079 0.000 1.548 142 M HN 0.310 nan 8.290 nan 0.000 0.479 143 L N 0.122 121.327 121.223 -0.030 0.000 2.270 143 L HA 0.047 4.387 4.340 -0.000 0.000 0.210 143 L C 1.018 177.858 176.870 -0.050 0.000 1.104 143 L CA 0.512 55.314 54.840 -0.063 0.000 0.804 143 L CB -0.061 41.941 42.059 -0.096 0.000 0.937 143 L HN 0.284 nan 8.230 nan 0.000 0.450 144 R N 1.625 122.088 120.500 -0.061 0.000 2.438 144 R HA 0.179 4.519 4.340 -0.000 0.000 0.287 144 R C -2.136 174.162 176.300 -0.003 0.000 1.077 144 R CA -1.825 54.255 56.100 -0.034 0.000 1.034 144 R CB -0.008 30.260 30.300 -0.054 0.000 0.993 144 R HN -0.039 nan 8.270 nan 0.000 0.459 145 P HA -0.074 nan 4.420 nan 0.000 0.265 145 P C 0.067 177.378 177.300 0.019 0.000 1.193 145 P CA 0.083 63.193 63.100 0.017 0.000 0.765 145 P CB 0.530 32.242 31.700 0.021 0.000 0.823 146 T N 1.251 115.816 114.554 0.019 0.000 2.748 146 T HA 0.151 4.501 4.350 -0.000 0.000 0.304 146 T C -1.763 172.948 174.700 0.020 0.000 1.041 146 T CA -1.123 60.990 62.100 0.022 0.000 1.033 146 T CB -0.276 68.604 68.868 0.021 0.000 0.995 146 T HN 0.197 nan 8.240 nan 0.000 0.536 147 P HA 0.053 nan 4.420 nan 0.000 0.215 147 P C 1.794 179.103 177.300 0.016 0.000 1.157 147 P CA 0.543 63.656 63.100 0.021 0.000 0.856 147 P CB -0.027 31.688 31.700 0.024 0.000 0.786 148 R N 0.017 120.524 120.500 0.013 0.000 2.153 148 R HA -0.229 4.111 4.340 -0.000 0.000 0.252 148 R C 1.859 178.159 176.300 -0.000 0.000 1.158 148 R CA 2.097 58.202 56.100 0.007 0.000 0.975 148 R CB -0.734 29.568 30.300 0.003 0.000 0.871 148 R HN 0.133 nan 8.270 nan 0.000 0.450 149 A N 0.276 123.093 122.820 -0.005 0.000 1.911 149 A HA 0.037 4.357 4.320 -0.000 0.000 0.212 149 A C 2.153 179.740 177.584 0.006 0.000 1.189 149 A CA 0.280 52.308 52.037 -0.015 0.000 0.639 149 A CB -0.269 18.715 19.000 -0.026 0.000 0.839 149 A HN 0.285 nan 8.150 nan 0.000 0.449 150 L N -0.332 120.899 121.223 0.014 0.000 2.043 150 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 150 L C 2.710 179.596 176.870 0.025 0.000 1.075 150 L CA 2.041 56.894 54.840 0.021 0.000 0.752 150 L CB -0.378 41.692 42.059 0.020 0.000 0.891 150 L HN 0.608 nan 8.230 nan 0.000 0.432 151 E N 0.413 120.626 120.200 0.022 0.000 2.051 151 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 151 E C 2.282 178.902 176.600 0.033 0.000 0.991 151 E CA 1.084 57.499 56.400 0.025 0.000 0.799 151 E CB -0.016 29.696 29.700 0.020 0.000 0.748 151 E HN 0.476 nan 8.360 nan 0.000 0.449 152 L N 1.052 122.293 121.223 0.030 0.000 2.465 152 L HA -0.110 4.230 4.340 -0.000 0.000 0.224 152 L C 2.458 179.379 176.870 0.085 0.000 1.145 152 L CA -0.215 54.652 54.840 0.044 0.000 0.834 152 L CB -0.194 41.873 42.059 0.014 0.000 0.944 152 L HN 0.248 nan 8.230 nan 0.000 0.451 153 L N 1.568 122.839 121.223 0.080 0.000 1.990 153 L HA -0.133 4.207 4.340 -0.000 0.000 0.213 153 L C -0.294 176.669 176.870 0.155 0.000 1.072 153 L CA 2.281 57.201 54.840 0.134 0.000 0.755 153 L CB -1.589 40.526 42.059 0.094 0.000 0.889 153 L HN 0.098 nan 8.230 nan 0.000 0.432 154 P HA -0.207 nan 4.420 nan 0.000 0.216 154 P C 1.246 178.593 177.300 0.079 0.000 1.153 154 P CA 1.567 64.711 63.100 0.073 0.000 0.858 154 P CB -0.168 31.561 31.700 0.048 0.000 0.789 155 E N -1.220 119.037 120.200 0.095 0.000 2.153 155 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 155 E C 1.876 178.554 176.600 0.129 0.000 0.988 155 E CA 0.641 57.096 56.400 0.092 0.000 0.811 155 E CB -0.756 28.998 29.700 0.091 0.000 0.746 155 E HN 0.249 nan 8.360 nan 0.000 0.466 156 F N 1.093 121.054 119.950 0.018 0.000 2.146 156 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 156 F C 2.193 178.001 175.800 0.014 0.000 1.096 156 F CA 0.768 58.780 58.000 0.020 0.000 1.275 156 F CB -0.344 38.669 39.000 0.023 0.000 1.008 156 F HN -0.220 nan 8.300 nan 0.000 0.480 157 V N 0.925 120.807 119.914 -0.052 0.000 2.490 157 V HA -0.275 3.844 4.120 -0.000 0.000 0.250 157 V C 2.598 178.608 176.094 -0.140 0.000 1.061 157 V CA 2.268 64.487 62.300 -0.135 0.000 1.064 157 V CB -0.782 31.029 31.823 -0.021 0.000 0.670 157 V HN 0.330 nan 8.190 nan 0.000 0.461 158 R N -0.756 119.697 120.500 -0.078 0.000 2.127 158 R HA -0.070 4.269 4.340 -0.000 0.000 0.217 158 R C 2.171 178.428 176.300 -0.072 0.000 1.074 158 R CA 1.591 57.655 56.100 -0.059 0.000 0.991 158 R CB -0.047 30.241 30.300 -0.020 0.000 0.895 158 R HN 0.506 nan 8.270 nan 0.000 0.450 159 T N -1.222 113.285 114.554 -0.078 0.000 2.904 159 T HA 0.165 4.514 4.350 -0.000 0.000 0.243 159 T C 1.029 175.654 174.700 -0.126 0.000 1.024 159 T CA 1.071 63.136 62.100 -0.059 0.000 1.158 159 T CB 0.054 68.928 68.868 0.010 0.000 0.867 159 T HN 0.500 nan 8.240 nan 0.000 0.429 160 G N 1.563 110.197 108.800 -0.277 0.000 2.141 160 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.231 160 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.231 160 G C -0.086 174.750 174.900 -0.107 0.000 0.984 160 G CA 0.277 45.117 45.100 -0.434 0.000 0.660 160 G HN 0.609 nan 8.290 nan 0.000 0.525 161 E N -0.735 119.522 120.200 0.096 0.000 2.321 161 E HA 0.615 4.965 4.350 -0.000 0.000 0.278 161 E C -1.253 175.538 176.600 0.317 0.000 0.902 161 E CA -0.813 55.740 56.400 0.255 0.000 0.758 161 E CB 2.483 32.281 29.700 0.163 0.000 1.213 161 E HN 0.354 nan 8.360 nan 0.000 0.426 162 V N 4.308 124.415 119.914 0.322 0.000 2.559 162 V HA 0.194 4.314 4.120 -0.000 0.000 0.289 162 V C -0.953 175.239 176.094 0.164 0.000 1.036 162 V CA -0.782 61.639 62.300 0.202 0.000 0.887 162 V CB 1.650 33.545 31.823 0.121 0.000 1.022 162 V HN 0.670 nan 8.190 nan 0.000 0.442 163 E N 5.801 126.053 120.200 0.087 0.000 2.130 163 E HA 0.549 4.899 4.350 -0.000 0.000 0.284 163 E C -0.510 176.101 176.600 0.019 0.000 1.018 163 E CA -0.207 56.204 56.400 0.019 0.000 0.817 163 E CB 1.769 31.425 29.700 -0.073 0.000 1.078 163 E HN 0.552 nan 8.360 nan 0.000 0.396 164 M N 1.333 120.949 119.600 0.027 0.000 2.840 164 M HA 0.168 4.648 4.480 -0.000 0.000 0.283 164 M C 1.444 177.749 176.300 0.008 0.000 1.136 164 M CA -0.454 54.852 55.300 0.011 0.000 0.857 164 M CB 1.098 33.699 32.600 0.001 0.000 1.644 164 M HN 0.463 nan 8.290 nan 0.000 0.520 165 E N 0.297 120.501 120.200 0.008 0.000 2.042 165 E HA -0.022 4.328 4.350 -0.000 0.000 0.189 165 E C 1.581 178.190 176.600 0.015 0.000 0.974 165 E CA 1.282 57.690 56.400 0.012 0.000 0.806 165 E CB 0.120 29.830 29.700 0.017 0.000 0.769 165 E HN 0.719 nan 8.360 nan 0.000 0.451 166 A N 0.647 123.474 122.820 0.011 0.000 1.935 166 A HA 0.166 4.486 4.320 -0.000 0.000 0.214 166 A C 0.921 178.505 177.584 0.001 0.000 1.178 166 A CA 0.360 52.401 52.037 0.007 0.000 0.640 166 A CB 0.372 19.373 19.000 0.002 0.000 0.825 166 A HN 0.145 nan 8.150 nan 0.000 0.447 167 V N -0.524 119.391 119.914 0.002 0.000 2.960 167 V HA 0.332 4.452 4.120 -0.000 0.000 0.315 167 V C -0.618 175.533 176.094 0.096 0.000 1.087 167 V CA -0.722 61.590 62.300 0.021 0.000 0.982 167 V CB 1.766 33.571 31.823 -0.030 0.000 1.039 167 V HN 0.556 nan 8.190 nan 0.000 0.437 168 H N 3.535 122.603 119.070 -0.004 0.000 2.860 168 H HA 0.531 5.087 4.556 -0.000 0.000 0.312 168 H C -1.434 173.915 175.328 0.035 0.000 0.995 168 H CA -0.879 55.179 56.048 0.017 0.000 1.311 168 H CB 1.523 31.300 29.762 0.025 0.000 1.478 168 H HN 0.509 nan 8.280 nan 0.000 0.508 169 L N 4.262 125.575 121.223 0.150 0.000 2.375 169 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 169 L C -0.581 176.368 176.870 0.133 0.000 1.107 169 L CA 0.111 54.981 54.840 0.051 0.000 0.806 169 L CB 1.308 43.331 42.059 -0.059 0.000 1.146 169 L HN 0.855 nan 8.230 nan 0.000 0.447 170 E N 3.135 123.417 120.200 0.136 0.000 2.354 170 E HA 0.324 4.674 4.350 -0.000 0.000 0.283 170 E C -1.527 175.172 176.600 0.165 0.000 0.938 170 E CA -0.840 55.656 56.400 0.159 0.000 0.777 170 E CB 1.377 31.052 29.700 -0.041 0.000 1.222 170 E HN 0.668 nan 8.360 nan 0.000 0.423 171 R N 4.036 124.582 120.500 0.077 0.000 2.215 171 R HA 0.465 4.805 4.340 -0.000 0.000 0.336 171 R C -0.983 175.293 176.300 -0.041 0.000 0.996 171 R CA -0.420 55.670 56.100 -0.016 0.000 0.847 171 R CB 0.911 31.084 30.300 -0.211 0.000 1.127 171 R HN 0.397 nan 8.270 nan 0.000 0.465 172 R N 3.512 123.997 120.500 -0.024 0.000 2.510 172 R HA 0.154 4.494 4.340 -0.000 0.000 0.294 172 R C -1.001 175.282 176.300 -0.029 0.000 1.056 172 R CA -0.371 55.713 56.100 -0.026 0.000 0.918 172 R CB 1.023 31.314 30.300 -0.014 0.000 1.187 172 R HN 0.887 nan 8.270 nan 0.000 0.437 173 D N 2.970 123.350 120.400 -0.033 0.000 2.870 173 D HA -0.175 4.465 4.640 -0.000 0.000 0.228 173 D C 0.537 176.814 176.300 -0.039 0.000 1.147 173 D CA 1.628 55.608 54.000 -0.032 0.000 0.757 173 D CB -0.888 39.897 40.800 -0.025 0.000 1.091 173 D HN 1.087 nan 8.370 nan 0.000 0.429 174 G N -1.555 107.217 108.800 -0.046 0.000 2.143 174 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.248 174 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.248 174 G C 0.218 175.080 174.900 -0.064 0.000 0.991 174 G CA 0.319 45.387 45.100 -0.054 0.000 0.689 174 G HN 0.620 nan 8.290 nan 0.000 0.522 175 V N 0.362 120.244 119.914 -0.053 0.000 2.448 175 V HA 0.774 4.894 4.120 -0.000 0.000 0.295 175 V C 0.608 176.683 176.094 -0.032 0.000 1.025 175 V CA -0.430 61.833 62.300 -0.061 0.000 0.859 175 V CB 1.758 33.556 31.823 -0.042 0.000 0.988 175 V HN 1.121 nan 8.190 nan 0.000 0.431 176 A N 5.471 128.257 122.820 -0.057 0.000 2.666 176 A HA 0.424 4.744 4.320 -0.000 0.000 0.312 176 A C 0.479 178.092 177.584 0.048 0.000 1.471 176 A CA -0.320 51.734 52.037 0.027 0.000 1.134 176 A CB -0.412 18.577 19.000 -0.019 0.000 1.129 176 A HN 0.831 nan 8.150 nan 0.000 0.539 177 R N 2.113 122.645 120.500 0.054 0.000 2.325 177 R HA 0.295 4.635 4.340 -0.000 0.000 0.323 177 R C -1.051 175.266 176.300 0.028 0.000 1.177 177 R CA -0.257 55.866 56.100 0.038 0.000 1.018 177 R CB 0.151 30.443 30.300 -0.013 0.000 1.070 177 R HN 0.533 nan 8.270 nan 0.000 0.495 178 L N 2.181 123.463 121.223 0.100 0.000 2.312 178 L HA 0.288 4.628 4.340 -0.000 0.000 0.281 178 L C 0.299 177.198 176.870 0.047 0.000 1.070 178 L CA 0.463 55.349 54.840 0.076 0.000 0.805 178 L CB 1.958 44.106 42.059 0.149 0.000 1.174 178 L HN 0.480 nan 8.230 nan 0.000 0.434 179 T N 4.022 118.579 114.554 0.005 0.000 3.009 179 T HA 0.374 4.724 4.350 -0.000 0.000 0.346 179 T C 0.109 174.822 174.700 0.021 0.000 1.092 179 T CA -0.496 61.613 62.100 0.015 0.000 1.080 179 T CB 0.370 69.239 68.868 0.002 0.000 1.037 179 T HN 0.392 nan 8.240 nan 0.000 0.487 180 M N 2.755 122.340 119.600 -0.025 0.000 2.611 180 M HA 0.028 4.508 4.480 -0.000 0.000 0.361 180 M C 1.049 177.332 176.300 -0.028 0.000 1.761 180 M CA 0.088 55.354 55.300 -0.056 0.000 1.145 180 M CB -0.333 32.179 32.600 -0.148 0.000 2.121 180 M HN 0.806 nan 8.290 nan 0.000 0.465 181 C N 1.730 121.034 119.300 0.007 0.000 2.548 181 C HA 0.381 4.841 4.460 -0.000 0.000 0.297 181 C C 0.613 175.612 174.990 0.015 0.000 1.422 181 C CA -0.942 58.090 59.018 0.024 0.000 1.785 181 C CB -0.553 27.225 27.740 0.063 0.000 2.593 181 C HN 0.645 nan 8.230 nan 0.000 0.545 182 R N 2.499 122.999 120.500 0.001 0.000 2.891 182 R HA 0.135 4.475 4.340 -0.000 0.000 0.248 182 R C 0.579 176.890 176.300 0.018 0.000 1.439 182 R CA 0.355 56.462 56.100 0.011 0.000 1.288 182 R CB 0.230 30.534 30.300 0.007 0.000 1.212 182 R HN 0.792 nan 8.270 nan 0.000 0.605 183 D N -0.008 120.412 120.400 0.033 0.000 2.269 183 D HA -0.173 4.467 4.640 -0.000 0.000 0.208 183 D C 0.963 177.317 176.300 0.090 0.000 0.963 183 D CA 0.777 54.810 54.000 0.055 0.000 0.864 183 D CB 0.122 40.954 40.800 0.054 0.000 0.936 183 D HN 0.383 nan 8.370 nan 0.000 0.505 184 D N 1.342 121.788 120.400 0.076 0.000 2.224 184 D HA -0.193 4.447 4.640 -0.000 0.000 0.205 184 D C 1.582 177.939 176.300 0.095 0.000 0.965 184 D CA 0.832 54.892 54.000 0.099 0.000 0.852 184 D CB -0.342 40.498 40.800 0.067 0.000 0.947 184 D HN 0.527 nan 8.370 nan 0.000 0.494 185 R N -0.700 119.829 120.500 0.047 0.000 2.549 185 R HA 0.298 4.638 4.340 -0.000 0.000 0.344 185 R C -0.003 176.300 176.300 0.006 0.000 0.979 185 R CA -0.630 55.473 56.100 0.005 0.000 1.140 185 R CB 0.271 30.551 30.300 -0.033 0.000 1.377 185 R HN -0.125 nan 8.270 nan 0.000 0.541 186 L N 2.061 123.303 121.223 0.032 0.000 3.600 186 L HA -0.201 4.139 4.340 -0.000 0.000 0.424 186 L C -1.113 175.757 176.870 -0.001 0.000 1.260 186 L CA 0.504 55.366 54.840 0.036 0.000 0.883 186 L CB -2.222 39.897 42.059 0.100 0.000 1.895 186 L HN 0.599 nan 8.230 nan 0.000 0.827 187 N N -1.593 117.093 118.700 -0.022 0.000 2.608 187 N HA -0.161 4.579 4.740 -0.000 0.000 0.273 187 N C 0.886 176.382 175.510 -0.023 0.000 1.133 187 N CA 1.112 54.135 53.050 -0.045 0.000 0.726 187 N CB -0.348 38.069 38.487 -0.117 0.000 0.890 187 N HN 0.752 nan 8.380 nan 0.000 0.548 188 A N 1.535 124.350 122.820 -0.008 0.000 2.599 188 A HA 0.545 4.865 4.320 -0.000 0.000 0.257 188 A C 0.427 178.040 177.584 0.049 0.000 1.641 188 A CA 0.196 52.231 52.037 -0.004 0.000 0.842 188 A CB 0.682 19.646 19.000 -0.061 0.000 1.599 188 A HN 0.425 nan 8.150 nan 0.000 0.585 189 E N -0.839 119.403 120.200 0.071 0.000 2.308 189 E HA 0.503 4.853 4.350 -0.000 0.000 0.275 189 E C -2.089 174.550 176.600 0.065 0.000 0.890 189 E CA -0.550 55.979 56.400 0.216 0.000 0.754 189 E CB 2.253 32.215 29.700 0.436 0.000 1.207 189 E HN 0.733 nan 8.360 nan 0.000 0.426 190 D N -0.292 120.218 120.400 0.184 0.000 2.808 190 D HA 0.125 4.765 4.640 -0.000 0.000 0.294 190 D C 0.716 177.187 176.300 0.286 0.000 1.278 190 D CA -0.547 53.376 54.000 -0.127 0.000 0.756 190 D CB -0.128 40.731 40.800 0.098 0.000 1.271 190 D HN 0.394 nan 8.370 nan 0.000 0.425 191 G N -0.681 108.232 108.800 0.188 0.000 2.485 191 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.221 191 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.221 191 G C 1.202 176.210 174.900 0.181 0.000 1.115 191 G CA 1.531 46.804 45.100 0.290 0.000 0.751 191 G HN 0.476 nan 8.290 nan 0.000 0.567 192 Q N -0.020 119.853 119.800 0.120 0.000 2.123 192 Q HA -0.023 4.317 4.340 -0.000 0.000 0.199 192 Q C 2.502 178.547 176.000 0.076 0.000 0.966 192 Q CA 1.820 57.670 55.803 0.078 0.000 0.845 192 Q CB -0.429 28.343 28.738 0.057 0.000 0.907 192 Q HN 0.551 nan 8.270 nan 0.000 0.439 193 Q N -0.738 119.132 119.800 0.117 0.000 2.050 193 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 193 Q C 1.858 177.875 176.000 0.030 0.000 0.980 193 Q CA 1.934 57.785 55.803 0.080 0.000 0.840 193 Q CB -0.407 28.413 28.738 0.137 0.000 0.898 193 Q HN 0.291 nan 8.270 nan 0.000 0.424 194 V N 1.404 121.398 119.914 0.134 0.000 2.594 194 V HA -0.220 3.900 4.120 -0.000 0.000 0.253 194 V C 2.047 178.138 176.094 -0.004 0.000 1.069 194 V CA 2.097 64.436 62.300 0.065 0.000 1.082 194 V CB -0.595 31.303 31.823 0.125 0.000 0.680 194 V HN 0.540 nan 8.190 nan 0.000 0.469 195 D N -0.380 120.035 120.400 0.025 0.000 2.162 195 D HA -0.131 4.509 4.640 -0.000 0.000 0.203 195 D C 1.711 177.979 176.300 -0.053 0.000 0.967 195 D CA 0.992 54.994 54.000 0.004 0.000 0.840 195 D CB 0.090 40.909 40.800 0.031 0.000 0.972 195 D HN 0.436 nan 8.370 nan 0.000 0.482 196 D N 0.039 120.398 120.400 -0.068 0.000 2.149 196 D HA -0.104 4.536 4.640 -0.000 0.000 0.201 196 D C 2.201 178.391 176.300 -0.183 0.000 0.972 196 D CA 0.472 54.416 54.000 -0.093 0.000 0.835 196 D CB -0.004 40.760 40.800 -0.060 0.000 0.966 196 D HN 0.261 nan 8.370 nan 0.000 0.476 197 M N 0.718 120.128 119.600 -0.316 0.000 2.099 197 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 197 M C 2.240 178.206 176.300 -0.557 0.000 1.067 197 M CA 1.160 56.105 55.300 -0.593 0.000 1.124 197 M CB -0.909 30.980 32.600 -1.185 0.000 1.353 197 M HN 0.057 nan 8.290 nan 0.000 0.410 198 E N -0.177 119.779 120.200 -0.406 0.000 2.051 198 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 198 E C 1.767 178.313 176.600 -0.091 0.000 0.991 198 E CA 2.060 58.388 56.400 -0.120 0.000 0.799 198 E CB 0.086 29.801 29.700 0.024 0.000 0.748 198 E HN 0.387 nan 8.360 nan 0.000 0.449 199 T N 0.666 115.163 114.554 -0.096 0.000 2.635 199 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 199 T C 1.858 176.491 174.700 -0.112 0.000 1.040 199 T CA 1.668 63.720 62.100 -0.081 0.000 1.156 199 T CB -0.525 68.299 68.868 -0.073 0.000 0.863 199 T HN 0.403 nan 8.240 nan 0.000 0.430 200 A N 0.794 123.530 122.820 -0.140 0.000 1.883 200 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 200 A C 2.621 180.163 177.584 -0.070 0.000 1.186 200 A CA 1.631 53.583 52.037 -0.142 0.000 0.624 200 A CB -1.144 17.782 19.000 -0.124 0.000 0.822 200 A HN 0.350 nan 8.150 nan 0.000 0.444 201 V N 0.489 120.368 119.914 -0.058 0.000 2.343 201 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 201 V C 2.244 178.399 176.094 0.102 0.000 1.051 201 V CA 2.450 64.778 62.300 0.046 0.000 1.036 201 V CB -0.869 30.898 31.823 -0.095 0.000 0.654 201 V HN 0.517 nan 8.190 nan 0.000 0.451 202 D N -0.056 120.357 120.400 0.022 0.000 2.104 202 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 202 D C 2.125 178.436 176.300 0.018 0.000 0.994 202 D CA 1.295 55.310 54.000 0.025 0.000 0.830 202 D CB -0.340 40.460 40.800 -0.001 0.000 0.959 202 D HN 0.315 nan 8.370 nan 0.000 0.452 203 L N 0.364 121.552 121.223 -0.058 0.000 2.042 203 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 203 L C 2.429 179.283 176.870 -0.028 0.000 1.076 203 L CA 1.186 55.946 54.840 -0.134 0.000 0.749 203 L CB -0.384 41.396 42.059 -0.465 0.000 0.893 203 L HN 0.006 nan 8.230 nan 0.000 0.432 204 A N 0.303 123.135 122.820 0.019 0.000 1.835 204 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 204 A C 2.166 179.814 177.584 0.107 0.000 1.199 204 A CA 1.554 53.660 52.037 0.116 0.000 0.615 204 A CB -0.926 18.205 19.000 0.219 0.000 0.838 204 A HN 0.359 nan 8.150 nan 0.000 0.444 205 L N -0.763 120.549 121.223 0.147 0.000 2.189 205 L HA -0.212 4.128 4.340 -0.000 0.000 0.214 205 L C 2.382 179.296 176.870 0.072 0.000 1.097 205 L CA 1.013 55.920 54.840 0.112 0.000 0.764 205 L CB -0.534 41.613 42.059 0.147 0.000 0.900 205 L HN 0.397 nan 8.230 nan 0.000 0.436 206 L N -1.580 119.690 121.223 0.079 0.000 2.253 206 L HA 0.023 4.363 4.340 -0.000 0.000 0.205 206 L C 1.040 177.961 176.870 0.085 0.000 1.078 206 L CA -0.075 54.808 54.840 0.072 0.000 0.805 206 L CB -0.262 41.837 42.059 0.068 0.000 0.963 206 L HN 0.114 nan 8.230 nan 0.000 0.459 207 D N 2.890 123.372 120.400 0.137 0.000 2.455 207 D HA -0.048 4.592 4.640 -0.000 0.000 0.265 207 D C -1.437 174.900 176.300 0.062 0.000 1.284 207 D CA -0.985 53.103 54.000 0.147 0.000 0.944 207 D CB 1.090 42.058 40.800 0.279 0.000 1.121 207 D HN 0.092 nan 8.370 nan 0.000 0.525 208 P HA -0.083 nan 4.420 nan 0.000 0.234 208 P C 0.906 178.201 177.300 -0.009 0.000 1.162 208 P CA 0.532 63.637 63.100 0.009 0.000 0.759 208 P CB 0.148 31.851 31.700 0.006 0.000 0.813 209 G N -0.793 107.999 108.800 -0.015 0.000 3.233 209 G HA2 0.220 4.180 3.960 -0.000 0.000 0.234 209 G HA3 0.220 4.180 3.960 -0.000 0.000 0.234 209 G C 0.042 174.919 174.900 -0.039 0.000 1.137 209 G CA 0.046 45.122 45.100 -0.040 0.000 0.763 209 G HN 0.153 nan 8.290 nan 0.000 0.549 210 V N 0.732 120.634 119.914 -0.021 0.000 2.357 210 V HA 0.365 4.485 4.120 -0.000 0.000 0.284 210 V C 0.808 176.849 176.094 -0.089 0.000 1.018 210 V CA -0.597 61.676 62.300 -0.046 0.000 0.841 210 V CB 1.472 33.289 31.823 -0.010 0.000 0.991 210 V HN 0.282 nan 8.190 nan 0.000 0.437 211 R N 2.915 123.349 120.500 -0.110 0.000 2.123 211 R HA 0.327 4.667 4.340 -0.000 0.000 0.209 211 R C -0.218 175.965 176.300 -0.196 0.000 1.078 211 R CA 0.576 56.603 56.100 -0.123 0.000 1.028 211 R CB 0.733 30.978 30.300 -0.090 0.000 0.939 211 R HN 0.513 nan 8.270 nan 0.000 0.463 212 V N -0.036 119.739 119.914 -0.231 0.000 2.876 212 V HA 0.517 4.637 4.120 -0.000 0.000 0.312 212 V C -0.008 175.809 176.094 -0.461 0.000 1.085 212 V CA -1.044 61.059 62.300 -0.328 0.000 0.945 212 V CB 1.878 33.586 31.823 -0.191 0.000 1.017 212 V HN 0.308 nan 8.190 nan 0.000 0.428 213 G N 1.880 110.185 108.800 -0.824 0.000 2.437 213 G HA2 0.685 4.645 3.960 -0.000 0.000 0.319 213 G HA3 0.685 4.645 3.960 -0.000 0.000 0.319 213 G C -1.573 173.256 174.900 -0.119 0.000 1.158 213 G CA -0.423 44.113 45.100 -0.939 0.000 0.899 213 G HN 0.612 nan 8.290 nan 0.000 0.502 214 L N 0.717 122.050 121.223 0.184 0.000 2.464 214 L HA 0.751 5.091 4.340 -0.000 0.000 0.266 214 L C -1.743 175.368 176.870 0.401 0.000 0.965 214 L CA -1.019 54.003 54.840 0.302 0.000 0.833 214 L CB 2.127 44.268 42.059 0.137 0.000 1.296 214 L HN 0.457 nan 8.230 nan 0.000 0.405 215 L N 5.284 126.781 121.223 0.457 0.000 2.404 215 L HA 0.756 5.095 4.340 -0.000 0.000 0.272 215 L C -0.937 176.096 176.870 0.271 0.000 0.980 215 L CA -0.075 54.995 54.840 0.383 0.000 0.836 215 L CB 1.272 43.677 42.059 0.577 0.000 1.238 215 L HN 0.853 nan 8.230 nan 0.000 0.408 216 R N 2.480 123.098 120.500 0.197 0.000 2.774 216 R HA 0.832 5.172 4.340 -0.000 0.000 0.272 216 R C -0.769 175.591 176.300 0.101 0.000 1.000 216 R CA -0.568 55.639 56.100 0.179 0.000 0.906 216 R CB 1.973 32.330 30.300 0.094 0.000 1.227 216 R HN 0.811 nan 8.270 nan 0.000 0.468 217 G N 0.017 108.867 108.800 0.083 0.000 2.389 217 G HA2 0.501 4.461 3.960 -0.000 0.000 0.317 217 G HA3 0.501 4.461 3.960 -0.000 0.000 0.317 217 G C -0.403 174.488 174.900 -0.015 0.000 1.137 217 G CA -0.515 44.568 45.100 -0.029 0.000 0.870 217 G HN 0.656 nan 8.290 nan 0.000 0.496 218 G N -0.803 107.990 108.800 -0.012 0.000 2.547 218 G HA2 0.443 4.403 3.960 -0.000 0.000 0.291 218 G HA3 0.443 4.403 3.960 -0.000 0.000 0.291 218 G C 0.011 174.908 174.900 -0.005 0.000 1.211 218 G CA -0.499 44.607 45.100 0.011 0.000 0.950 218 G HN 0.681 nan 8.290 nan 0.000 0.504 219 V N 1.589 121.511 119.914 0.012 0.000 2.694 219 V HA 0.027 4.147 4.120 -0.000 0.000 0.306 219 V C 0.616 176.726 176.094 0.027 0.000 1.054 219 V CA 0.072 62.381 62.300 0.015 0.000 1.161 219 V CB 0.924 32.764 31.823 0.029 0.000 0.916 219 V HN 0.500 nan 8.190 nan 0.000 0.490 220 M N 3.855 123.480 119.600 0.041 0.000 2.288 220 M HA 0.233 4.713 4.480 -0.000 0.000 0.334 220 M C 1.090 177.451 176.300 0.102 0.000 1.150 220 M CA 0.136 55.483 55.300 0.078 0.000 1.118 220 M CB 1.236 33.905 32.600 0.116 0.000 1.501 220 M HN 0.845 nan 8.290 nan 0.000 0.462 221 S N -0.163 115.603 115.700 0.110 0.000 2.505 221 S HA 0.044 4.514 4.470 -0.000 0.000 0.216 221 S C 0.652 175.319 174.600 0.112 0.000 1.018 221 S CA -0.208 58.047 58.200 0.091 0.000 0.911 221 S CB -0.164 63.072 63.200 0.060 0.000 0.818 221 S HN 0.749 nan 8.310 nan 0.000 0.497 222 H N 4.255 123.370 119.070 0.074 0.000 2.871 222 H HA 0.148 4.704 4.556 -0.000 0.000 0.355 222 H C -1.562 173.804 175.328 0.064 0.000 1.092 222 H CA -0.436 55.654 56.048 0.071 0.000 1.420 222 H CB 1.163 30.983 29.762 0.097 0.000 1.400 222 H HN 0.075 nan 8.280 nan 0.000 0.604 223 P HA -0.180 nan 4.420 nan 0.000 0.218 223 P C 1.547 178.856 177.300 0.015 0.000 1.148 223 P CA 2.122 65.088 63.100 -0.222 0.000 0.822 223 P CB -0.005 31.492 31.700 -0.339 0.000 0.784 224 R N -0.257 120.434 120.500 0.319 0.000 2.081 224 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 224 R C 1.140 177.310 176.300 -0.217 0.000 1.131 224 R CA 1.446 57.561 56.100 0.024 0.000 0.960 224 R CB -2.024 28.224 30.300 -0.088 0.000 0.856 224 R HN 0.370 nan 8.270 nan 0.000 0.436 225 Y N 0.032 120.469 120.300 0.229 0.000 2.638 225 Y HA 0.417 4.967 4.550 -0.000 0.000 0.367 225 Y C 0.206 176.174 175.900 0.114 0.000 1.001 225 Y CA -0.744 57.449 58.100 0.154 0.000 1.133 225 Y CB 0.604 39.161 38.460 0.162 0.000 1.199 225 Y HN 0.170 nan 8.280 nan 0.000 0.642 226 R N 0.254 120.863 120.500 0.182 0.000 2.368 226 R HA 0.561 4.901 4.340 -0.000 0.000 0.302 226 R C 0.980 177.338 176.300 0.096 0.000 1.002 226 R CA 0.802 56.975 56.100 0.122 0.000 0.929 226 R CB 0.847 31.188 30.300 0.068 0.000 1.073 226 R HN 0.773 nan 8.270 nan 0.000 0.464 227 G N 3.033 111.881 108.800 0.079 0.000 2.358 227 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.224 227 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.224 227 G C -0.062 174.871 174.900 0.055 0.000 1.073 227 G CA 0.015 45.150 45.100 0.058 0.000 0.635 227 G HN 0.516 nan 8.290 nan 0.000 0.509 228 K N 0.605 121.049 120.400 0.074 0.000 2.209 228 K HA 0.694 5.014 4.320 -0.000 0.000 0.238 228 K C 0.564 177.173 176.600 0.014 0.000 1.028 228 K CA -0.424 55.892 56.287 0.048 0.000 0.935 228 K CB 0.619 33.166 32.500 0.078 0.000 1.162 228 K HN 0.598 nan 8.250 nan 0.000 0.485 229 R N -1.072 119.399 120.500 -0.049 0.000 2.744 229 R HA 0.600 4.940 4.340 -0.000 0.000 0.279 229 R C -1.308 174.843 176.300 -0.249 0.000 0.977 229 R CA -0.933 55.107 56.100 -0.101 0.000 0.906 229 R CB 1.231 31.494 30.300 -0.062 0.000 1.197 229 R HN 0.201 nan 8.270 nan 0.000 0.463 230 V N 2.821 122.526 119.914 -0.348 0.000 2.815 230 V HA 0.283 4.403 4.120 -0.000 0.000 0.314 230 V C 0.336 176.189 176.094 -0.403 0.000 1.064 230 V CA -0.732 61.149 62.300 -0.698 0.000 0.952 230 V CB 1.530 32.699 31.823 -1.090 0.000 1.020 230 V HN 0.805 nan 8.190 nan 0.000 0.439 231 F N 2.067 121.682 119.950 -0.557 0.000 2.039 231 F HA 0.158 4.685 4.527 0.000 0.000 0.294 231 F C 1.172 176.863 175.800 -0.183 0.000 1.130 231 F CA 1.784 59.608 58.000 -0.293 0.000 1.189 231 F CB 0.305 39.156 39.000 -0.248 0.000 0.983 231 F HN 0.584 nan 8.300 nan 0.000 0.471 232 S N -1.851 113.731 115.700 -0.197 0.000 2.558 232 S HA 0.600 5.070 4.470 -0.000 0.000 0.277 232 S C -0.597 174.088 174.600 0.142 0.000 1.143 232 S CA -0.312 57.798 58.200 -0.150 0.000 0.865 232 S CB 0.979 63.999 63.200 -0.300 0.000 1.102 232 S HN 0.545 nan 8.310 nan 0.000 0.454 233 A N 2.190 125.089 122.820 0.131 0.000 2.574 233 A HA 0.740 5.060 4.320 -0.000 0.000 0.283 233 A C 1.260 178.878 177.584 0.055 0.000 1.270 233 A CA 0.489 52.611 52.037 0.142 0.000 0.945 233 A CB -1.058 18.012 19.000 0.116 0.000 1.127 233 A HN 2.404 nan 8.150 nan 0.000 0.522 234 G N -0.242 108.596 108.800 0.063 0.000 2.741 234 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.222 234 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.222 234 G C 0.015 174.959 174.900 0.074 0.000 1.364 234 G CA -0.264 44.876 45.100 0.067 0.000 0.866 234 G HN 0.871 nan 8.290 nan 0.000 0.555 235 I N 1.121 121.754 120.570 0.105 0.000 2.775 235 I HA 0.002 4.172 4.170 -0.000 0.000 0.290 235 I C 1.090 177.223 176.117 0.026 0.000 1.203 235 I CA -0.295 61.081 61.300 0.126 0.000 1.433 235 I CB 0.324 38.422 38.000 0.163 0.000 1.354 235 I HN 0.636 nan 8.210 nan 0.000 0.579 236 N N 7.164 125.850 118.700 -0.025 0.000 2.438 236 N HA 0.006 4.746 4.740 -0.000 0.000 0.267 236 N C 0.687 176.127 175.510 -0.117 0.000 1.222 236 N CA 0.187 53.160 53.050 -0.129 0.000 0.930 236 N CB 0.841 39.168 38.487 -0.267 0.000 1.083 236 N HN 0.614 nan 8.380 nan 0.000 0.476 237 L N 4.284 125.447 121.223 -0.100 0.000 2.044 237 L HA -0.182 4.158 4.340 -0.000 0.000 0.205 237 L C 2.748 179.576 176.870 -0.070 0.000 1.075 237 L CA 1.481 56.284 54.840 -0.063 0.000 0.747 237 L CB -0.936 41.095 42.059 -0.047 0.000 0.903 237 L HN 0.629 nan 8.230 nan 0.000 0.435 238 K N 0.353 120.678 120.400 -0.124 0.000 2.037 238 K HA -0.317 4.003 4.320 -0.000 0.000 0.229 238 K C 1.720 178.327 176.600 0.012 0.000 1.040 238 K CA 2.826 59.038 56.287 -0.125 0.000 0.981 238 K CB -2.071 30.227 32.500 -0.337 0.000 0.749 238 K HN 0.328 nan 8.250 nan 0.000 0.451 239 Y N -0.355 119.904 120.300 -0.068 0.000 2.529 239 Y HA 0.270 4.820 4.550 -0.000 0.000 0.290 239 Y C 2.039 177.878 175.900 -0.102 0.000 1.177 239 Y CA 0.160 58.206 58.100 -0.090 0.000 1.305 239 Y CB -0.402 37.977 38.460 -0.136 0.000 1.047 239 Y HN 0.318 nan 8.280 nan 0.000 0.522 240 L N -1.456 119.799 121.223 0.054 0.000 2.221 240 L HA 0.010 4.350 4.340 -0.000 0.000 0.202 240 L C 2.254 179.127 176.870 0.005 0.000 1.074 240 L CA 1.192 56.030 54.840 -0.003 0.000 0.795 240 L CB -0.647 41.398 42.059 -0.022 0.000 0.960 240 L HN -0.107 nan 8.230 nan 0.000 0.458 241 S N 0.042 115.751 115.700 0.016 0.000 2.365 241 S HA -0.249 4.221 4.470 -0.000 0.000 0.221 241 S C 1.724 176.344 174.600 0.034 0.000 1.037 241 S CA 1.769 59.983 58.200 0.022 0.000 1.060 241 S CB -0.482 62.729 63.200 0.018 0.000 0.974 241 S HN 0.586 nan 8.310 nan 0.000 0.427 242 Q N 0.662 120.493 119.800 0.051 0.000 2.404 242 Q HA -0.036 4.304 4.340 -0.000 0.000 0.214 242 Q C 1.102 177.123 176.000 0.035 0.000 0.992 242 Q CA 0.890 56.723 55.803 0.051 0.000 0.899 242 Q CB -1.038 27.746 28.738 0.077 0.000 0.921 242 Q HN 0.621 nan 8.270 nan 0.000 0.453 243 G N -0.340 108.479 108.800 0.031 0.000 2.981 243 G HA2 0.109 4.069 3.960 -0.000 0.000 0.686 243 G HA3 0.109 4.069 3.960 -0.000 0.000 0.686 243 G C 0.242 175.141 174.900 -0.001 0.000 1.068 243 G CA 0.091 45.201 45.100 0.017 0.000 0.806 243 G HN 0.855 nan 8.290 nan 0.000 0.568 244 G N 0.783 109.564 108.800 -0.031 0.000 2.542 244 G HA2 0.273 4.233 3.960 -0.000 0.000 0.223 244 G HA3 0.273 4.233 3.960 -0.000 0.000 0.223 244 G C 0.125 174.959 174.900 -0.110 0.000 1.041 244 G CA -0.065 44.997 45.100 -0.064 0.000 0.928 244 G HN 1.462 nan 8.290 nan 0.000 0.558 245 I N 2.451 122.947 120.570 -0.123 0.000 2.849 245 I HA 0.111 4.281 4.170 -0.000 0.000 0.288 245 I C 1.283 177.360 176.117 -0.067 0.000 1.156 245 I CA 0.316 61.507 61.300 -0.183 0.000 1.394 245 I CB -0.279 37.631 38.000 -0.151 0.000 1.462 245 I HN 0.263 nan 8.210 nan 0.000 0.587 246 S N 5.393 121.086 115.700 -0.011 0.000 2.533 246 S HA 0.069 4.539 4.470 -0.000 0.000 0.282 246 S C 1.104 175.782 174.600 0.130 0.000 1.304 246 S CA -0.628 57.610 58.200 0.063 0.000 1.063 246 S CB 0.569 63.822 63.200 0.088 0.000 0.881 246 S HN 0.558 nan 8.310 nan 0.000 0.493 247 L N 6.534 127.799 121.223 0.069 0.000 2.201 247 L HA 0.068 4.408 4.340 -0.000 0.000 0.212 247 L C 1.505 178.436 176.870 0.103 0.000 1.105 247 L CA 1.745 56.620 54.840 0.059 0.000 0.775 247 L CB -0.216 41.848 42.059 0.007 0.000 0.913 247 L HN 0.628 nan 8.230 nan 0.000 0.440 248 V N -1.272 118.712 119.914 0.116 0.000 2.908 248 V HA 0.054 4.174 4.120 -0.000 0.000 0.240 248 V C 1.452 177.627 176.094 0.136 0.000 1.117 248 V CA 0.963 63.337 62.300 0.122 0.000 1.133 248 V CB -0.361 31.531 31.823 0.115 0.000 0.857 248 V HN 0.284 nan 8.190 nan 0.000 0.478 249 D N -0.932 119.557 120.400 0.148 0.000 2.349 249 D HA 0.072 4.712 4.640 -0.000 0.000 0.224 249 D C 1.058 177.507 176.300 0.248 0.000 1.029 249 D CA 0.717 54.813 54.000 0.161 0.000 0.879 249 D CB 0.663 41.540 40.800 0.130 0.000 0.906 249 D HN 0.477 nan 8.370 nan 0.000 0.528 250 F N -0.292 119.702 119.950 0.073 0.000 1.941 250 F HA 0.182 4.709 4.527 -0.000 0.000 0.230 250 F C 1.665 177.529 175.800 0.106 0.000 1.181 250 F CA -0.163 57.889 58.000 0.087 0.000 1.294 250 F CB -0.372 38.670 39.000 0.071 0.000 1.748 250 F HN -0.304 nan 8.300 nan 0.000 0.419 251 L N 0.617 121.979 121.223 0.230 0.000 1.971 251 L HA -0.288 4.052 4.340 -0.000 0.000 0.215 251 L C 2.405 179.366 176.870 0.152 0.000 1.072 251 L CA 1.579 56.516 54.840 0.161 0.000 0.758 251 L CB -0.737 41.465 42.059 0.238 0.000 0.889 251 L HN 0.321 nan 8.230 nan 0.000 0.433 252 M N -0.911 118.788 119.600 0.166 0.000 2.156 252 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 252 M C 2.349 178.694 176.300 0.075 0.000 1.067 252 M CA 1.447 56.837 55.300 0.151 0.000 1.131 252 M CB -1.185 31.492 32.600 0.130 0.000 1.368 252 M HN 0.218 nan 8.290 nan 0.000 0.416 253 R N 0.536 121.075 120.500 0.066 0.000 2.080 253 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 253 R C 2.271 178.573 176.300 0.004 0.000 1.137 253 R CA 1.806 57.938 56.100 0.053 0.000 0.943 253 R CB -0.127 30.220 30.300 0.078 0.000 0.846 253 R HN 0.246 nan 8.270 nan 0.000 0.431 254 K N 0.065 120.416 120.400 -0.081 0.000 2.015 254 K HA -0.195 4.125 4.320 -0.000 0.000 0.216 254 K C 1.981 178.433 176.600 -0.247 0.000 1.052 254 K CA 2.077 58.254 56.287 -0.183 0.000 0.937 254 K CB -0.000 32.304 32.500 -0.326 0.000 0.719 254 K HN 0.171 nan 8.250 nan 0.000 0.446 255 E N 0.415 120.522 120.200 -0.156 0.000 2.150 255 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 255 E C 1.991 178.602 176.600 0.019 0.000 0.985 255 E CA 0.974 57.307 56.400 -0.111 0.000 0.814 255 E CB -0.017 29.610 29.700 -0.123 0.000 0.752 255 E HN 0.411 nan 8.360 nan 0.000 0.466 256 L N -0.561 120.686 121.223 0.040 0.000 2.416 256 L HA 0.158 4.498 4.340 -0.000 0.000 0.216 256 L C 1.983 178.934 176.870 0.135 0.000 1.098 256 L CA 0.559 55.470 54.840 0.119 0.000 0.840 256 L CB -0.324 41.783 42.059 0.080 0.000 0.981 256 L HN 0.081 nan 8.230 nan 0.000 0.462 257 G N 0.437 109.273 108.800 0.060 0.000 2.542 257 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.211 257 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.211 257 G C 1.213 176.140 174.900 0.044 0.000 1.702 257 G CA 0.692 45.833 45.100 0.069 0.000 0.935 257 G HN 0.324 nan 8.290 nan 0.000 0.509 258 Y N 0.363 120.628 120.300 -0.059 0.000 2.337 258 Y HA 0.265 4.815 4.550 -0.000 0.000 0.293 258 Y C 2.360 178.158 175.900 -0.170 0.000 1.123 258 Y CA 0.735 58.761 58.100 -0.124 0.000 1.201 258 Y CB -0.352 38.023 38.460 -0.142 0.000 1.011 258 Y HN 0.144 nan 8.280 nan 0.000 0.545 259 I N 0.664 120.726 120.570 -0.848 0.000 2.493 259 I HA -0.273 3.897 4.170 -0.000 0.000 0.254 259 I C 2.516 178.434 176.117 -0.331 0.000 1.160 259 I CA 1.829 62.724 61.300 -0.676 0.000 1.445 259 I CB -0.609 37.014 38.000 -0.628 0.000 1.086 259 I HN 0.491 nan 8.210 nan 0.000 0.433 260 H N 1.270 120.134 119.070 -0.344 0.000 2.544 260 H HA 0.019 4.575 4.556 -0.000 0.000 0.269 260 H C 1.919 177.096 175.328 -0.253 0.000 0.970 260 H CA 0.427 56.281 56.048 -0.323 0.000 1.219 260 H CB 0.469 30.100 29.762 -0.218 0.000 1.421 260 H HN 0.242 nan 8.280 nan 0.000 0.555 261 K N 0.409 120.683 120.400 -0.210 0.000 2.116 261 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 261 K C 2.156 178.618 176.600 -0.230 0.000 1.052 261 K CA 0.382 56.544 56.287 -0.209 0.000 0.952 261 K CB 0.249 32.689 32.500 -0.101 0.000 0.729 261 K HN 0.256 nan 8.250 nan 0.000 0.446 262 L N 0.848 121.860 121.223 -0.352 0.000 2.187 262 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 262 L C 2.105 178.805 176.870 -0.284 0.000 1.100 262 L CA 0.916 55.435 54.840 -0.535 0.000 0.765 262 L CB -0.297 41.293 42.059 -0.782 0.000 0.904 262 L HN 0.001 nan 8.230 nan 0.000 0.437 263 V N -1.074 118.685 119.914 -0.258 0.000 2.599 263 V HA -0.070 4.050 4.120 -0.000 0.000 0.245 263 V C 1.954 177.931 176.094 -0.195 0.000 1.046 263 V CA 1.218 63.398 62.300 -0.201 0.000 1.065 263 V CB -0.238 31.461 31.823 -0.208 0.000 0.703 263 V HN 0.383 nan 8.190 nan 0.000 0.464 264 R N -0.537 119.796 120.500 -0.279 0.000 2.509 264 R HA 0.451 4.791 4.340 -0.000 0.000 0.297 264 R C 0.899 177.095 176.300 -0.172 0.000 0.951 264 R CA 0.542 56.491 56.100 -0.252 0.000 1.103 264 R CB 1.223 31.287 30.300 -0.394 0.000 1.283 264 R HN 0.506 nan 8.270 nan 0.000 0.534 265 G N 1.183 109.909 108.800 -0.124 0.000 2.828 265 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.463 265 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.463 265 G C -0.200 174.662 174.900 -0.063 0.000 1.394 265 G CA -0.387 44.688 45.100 -0.042 0.000 0.862 265 G HN 0.207 nan 8.290 nan 0.000 0.540 266 V N -2.003 117.904 119.914 -0.011 0.000 2.743 266 V HA 0.805 4.925 4.120 -0.000 0.000 0.301 266 V C 0.605 176.703 176.094 0.007 0.000 1.057 266 V CA -0.823 61.472 62.300 -0.008 0.000 1.006 266 V CB 1.663 33.499 31.823 0.021 0.000 1.024 266 V HN 1.562 nan 8.190 nan 0.000 0.473 267 L N 4.582 125.811 121.223 0.010 0.000 2.257 267 L HA 0.666 5.006 4.340 -0.000 0.000 0.290 267 L C 0.511 177.446 176.870 0.108 0.000 1.044 267 L CA 0.552 55.431 54.840 0.064 0.000 0.810 267 L CB 1.037 43.109 42.059 0.023 0.000 1.193 267 L HN 1.161 nan 8.230 nan 0.000 0.425 268 T N 1.300 115.971 114.554 0.196 0.000 2.943 268 T HA 0.519 4.869 4.350 -0.000 0.000 0.284 268 T C 0.344 175.065 174.700 0.035 0.000 1.015 268 T CA -0.988 61.183 62.100 0.119 0.000 1.042 268 T CB 0.839 69.766 68.868 0.099 0.000 1.055 268 T HN 0.523 nan 8.240 nan 0.000 0.500 269 N N 1.305 119.920 118.700 -0.142 0.000 2.326 269 N HA 0.042 4.782 4.740 -0.000 0.000 0.239 269 N C 0.043 175.044 175.510 -0.848 0.000 1.301 269 N CA -0.347 52.492 53.050 -0.353 0.000 0.909 269 N CB 0.190 38.547 38.487 -0.217 0.000 1.156 269 N HN 0.757 nan 8.380 nan 0.000 0.462 270 D N 0.632 120.369 120.400 -1.105 0.000 2.745 270 D HA -0.026 4.614 4.640 -0.000 0.000 0.229 270 D C -0.088 175.885 176.300 -0.546 0.000 1.088 270 D CA -0.128 53.076 54.000 -1.327 0.000 1.054 270 D CB -0.372 39.839 40.800 -0.982 0.000 1.132 270 D HN 0.429 nan 8.370 nan 0.000 0.464 271 D N 0.181 120.331 120.400 -0.416 0.000 2.648 271 D HA -0.016 4.624 4.640 -0.000 0.000 0.261 271 D C 1.111 177.369 176.300 -0.070 0.000 1.261 271 D CA -0.041 53.854 54.000 -0.175 0.000 1.011 271 D CB -0.379 40.346 40.800 -0.126 0.000 1.092 271 D HN 0.267 nan 8.370 nan 0.000 0.417 272 R N 1.687 122.169 120.500 -0.029 0.000 2.861 272 R HA 0.177 4.517 4.340 -0.000 0.000 0.268 272 R C -2.057 174.290 176.300 0.078 0.000 1.027 272 R CA -1.037 55.080 56.100 0.029 0.000 1.163 272 R CB -0.759 29.562 30.300 0.035 0.000 1.060 272 R HN 0.106 nan 8.270 nan 0.000 0.483 273 P HA 0.112 nan 4.420 nan 0.000 0.276 273 P C 0.028 177.378 177.300 0.082 0.000 1.264 273 P CA 0.430 63.608 63.100 0.130 0.000 0.769 273 P CB 1.018 32.789 31.700 0.119 0.000 0.840 274 G N 2.987 111.824 108.800 0.061 0.000 2.183 274 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.168 274 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.168 274 G C 0.450 174.794 174.900 -0.927 0.000 1.008 274 G CA -0.131 44.658 45.100 -0.518 0.000 0.677 274 G HN 0.451 nan 8.290 nan 0.000 0.498 275 W N 2.152 123.208 121.300 -0.406 0.000 2.333 275 W HA -0.040 4.620 4.660 -0.000 0.000 0.316 275 W C 2.634 178.981 176.519 -0.288 0.000 1.215 275 W CA 3.079 60.253 57.345 -0.285 0.000 1.278 275 W CB -0.530 28.899 29.460 -0.051 0.000 1.154 275 W HN 0.540 nan 8.180 nan 0.000 0.486 276 W N 0.757 122.030 121.300 -0.045 0.000 2.256 276 W HA -0.378 4.282 4.660 -0.000 0.000 0.311 276 W C 1.629 178.030 176.519 -0.196 0.000 1.258 276 W CA 2.145 59.418 57.345 -0.119 0.000 1.269 276 W CB -2.113 27.364 29.460 0.029 0.000 1.134 276 W HN 0.418 nan 8.180 nan 0.000 0.518 277 H N -1.159 117.478 119.070 -0.722 0.000 2.604 277 H HA 0.345 4.901 4.556 -0.000 0.000 0.273 277 H C 0.429 175.471 175.328 -0.477 0.000 0.971 277 H CA 0.783 56.454 56.048 -0.628 0.000 1.249 277 H CB -0.617 28.533 29.762 -1.021 0.000 1.449 277 H HN -0.089 nan 8.280 nan 0.000 0.512 278 S N 2.876 118.167 115.700 -0.681 0.000 2.128 278 S HA 0.188 4.658 4.470 -0.000 0.000 0.157 278 S C -2.041 172.328 174.600 -0.386 0.000 1.650 278 S CA -0.885 57.091 58.200 -0.374 0.000 1.269 278 S CB 1.323 64.401 63.200 -0.202 0.000 1.227 278 S HN 0.363 nan 8.310 nan 0.000 0.405 279 P HA -0.082 nan 4.420 nan 0.000 0.228 279 P C 0.017 177.313 177.300 -0.007 0.000 1.151 279 P CA 0.655 63.385 63.100 -0.617 0.000 0.770 279 P CB 0.339 31.517 31.700 -0.871 0.000 0.786 280 R N -0.108 120.348 120.500 -0.074 0.000 2.670 280 R HA 0.576 4.916 4.340 -0.000 0.000 0.289 280 R C -0.120 176.171 176.300 -0.014 0.000 0.965 280 R CA -1.025 55.067 56.100 -0.012 0.000 0.899 280 R CB 1.956 32.223 30.300 -0.055 0.000 1.173 280 R HN -0.010 nan 8.270 nan 0.000 0.456 281 I N 3.049 123.628 120.570 0.014 0.000 2.315 281 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 281 I C 0.214 176.340 176.117 0.014 0.000 1.006 281 I CA -0.125 61.182 61.300 0.013 0.000 1.265 281 I CB 1.040 39.058 38.000 0.030 0.000 1.387 281 I HN 0.605 nan 8.210 nan 0.000 0.475 282 E N 6.420 126.622 120.200 0.003 0.000 2.317 282 E HA 0.754 5.104 4.350 -0.000 0.000 0.270 282 E C -1.545 175.057 176.600 0.004 0.000 0.885 282 E CA -1.183 55.231 56.400 0.024 0.000 0.760 282 E CB 2.528 32.226 29.700 -0.003 0.000 1.227 282 E HN 0.413 nan 8.360 nan 0.000 0.434 283 K N 1.093 121.503 120.400 0.016 0.000 2.512 283 K HA 0.474 4.793 4.320 -0.000 0.000 0.263 283 K C -2.720 173.789 176.600 -0.151 0.000 0.966 283 K CA -2.307 53.909 56.287 -0.118 0.000 0.851 283 K CB 2.240 34.589 32.500 -0.251 0.000 1.395 283 K HN 0.427 nan 8.250 nan 0.000 0.440 284 P HA 0.135 nan 4.420 nan 0.000 0.274 284 P C -1.287 175.843 177.300 -0.284 0.000 1.237 284 P CA -0.218 62.821 63.100 -0.101 0.000 0.793 284 P CB 0.481 32.141 31.700 -0.067 0.000 0.977 285 W N 0.085 121.332 121.300 -0.088 0.000 2.915 285 W HA 0.476 5.136 4.660 -0.000 0.000 0.337 285 W C -1.109 175.505 176.519 0.159 0.000 1.102 285 W CA -0.473 56.815 57.345 -0.094 0.000 1.224 285 W CB 1.903 31.075 29.460 -0.481 0.000 1.416 285 W HN -0.007 nan 8.180 nan 0.000 0.503 286 V N 2.865 123.121 119.914 0.571 0.000 2.540 286 V HA 0.841 4.961 4.120 -0.000 0.000 0.302 286 V C -0.417 176.002 176.094 0.542 0.000 1.035 286 V CA -0.950 61.658 62.300 0.513 0.000 0.873 286 V CB 1.367 33.324 31.823 0.222 0.000 0.992 286 V HN 0.620 nan 8.190 nan 0.000 0.428 287 A N 4.048 126.904 122.820 0.060 0.000 2.343 287 A HA 0.946 5.266 4.320 -0.000 0.000 0.316 287 A C -0.231 177.163 177.584 -0.316 0.000 1.104 287 A CA -0.364 51.389 52.037 -0.474 0.000 0.768 287 A CB 1.519 19.485 19.000 -1.724 0.000 1.213 287 A HN 1.292 nan 8.150 nan 0.000 0.456 288 A N 2.042 124.741 122.820 -0.202 0.000 2.303 288 A HA 0.656 4.976 4.320 -0.000 0.000 0.320 288 A C -0.656 176.773 177.584 -0.258 0.000 1.192 288 A CA -0.431 51.504 52.037 -0.170 0.000 0.821 288 A CB 0.899 19.867 19.000 -0.053 0.000 1.188 288 A HN 1.036 nan 8.150 nan 0.000 0.492 289 V N 3.591 123.328 119.914 -0.294 0.000 2.394 289 V HA 0.346 4.466 4.120 -0.000 0.000 0.282 289 V C -0.564 175.419 176.094 -0.184 0.000 1.031 289 V CA -0.493 61.609 62.300 -0.330 0.000 0.881 289 V CB 1.375 33.026 31.823 -0.288 0.000 0.982 289 V HN 0.889 nan 8.190 nan 0.000 0.451 290 D N 3.358 123.649 120.400 -0.181 0.000 2.498 290 D HA 0.530 5.169 4.640 -0.000 0.000 0.247 290 D C 0.931 176.999 176.300 -0.386 0.000 1.070 290 D CA 0.527 54.406 54.000 -0.202 0.000 0.842 290 D CB 2.299 43.008 40.800 -0.151 0.000 1.361 290 D HN 0.704 nan 8.370 nan 0.000 0.484 291 G N 2.323 110.911 108.800 -0.353 0.000 5.260 291 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.276 291 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.276 291 G C 0.105 174.715 174.900 -0.483 0.000 1.357 291 G CA 1.286 46.097 45.100 -0.481 0.000 1.008 291 G HN 0.661 nan 8.290 nan 0.000 0.777 292 F N -1.969 117.702 119.950 -0.465 0.000 2.744 292 F HA 0.782 5.309 4.527 -0.000 0.000 0.311 292 F C -0.381 175.220 175.800 -0.333 0.000 1.144 292 F CA -1.023 56.545 58.000 -0.720 0.000 0.938 292 F CB 0.984 39.378 39.000 -1.010 0.000 1.292 292 F HN 1.055 nan 8.300 nan 0.000 0.444 293 A N 2.287 125.051 122.820 -0.094 0.000 2.304 293 A HA 0.872 5.192 4.320 -0.000 0.000 0.314 293 A C -1.170 176.504 177.584 0.151 0.000 1.187 293 A CA -0.648 51.536 52.037 0.246 0.000 0.810 293 A CB 0.656 19.896 19.000 0.400 0.000 1.183 293 A HN 0.741 nan 8.150 nan 0.000 0.487 294 I N 2.133 122.808 120.570 0.174 0.000 2.569 294 I HA 0.617 4.787 4.170 -0.000 0.000 0.296 294 I C 1.092 177.270 176.117 0.102 0.000 1.028 294 I CA 0.124 61.488 61.300 0.106 0.000 1.082 294 I CB 2.054 40.078 38.000 0.040 0.000 1.264 294 I HN 1.085 nan 8.210 nan 0.000 0.429 295 G N 3.709 112.559 108.800 0.083 0.000 2.583 295 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.292 295 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.292 295 G C 0.953 175.905 174.900 0.087 0.000 1.203 295 G CA 0.339 45.486 45.100 0.079 0.000 0.987 295 G HN 1.014 nan 8.290 nan 0.000 0.554 296 G N 0.391 109.246 108.800 0.092 0.000 2.503 296 G HA2 0.114 4.074 3.960 -0.000 0.000 0.221 296 G HA3 0.114 4.074 3.960 -0.000 0.000 0.221 296 G C 1.981 176.932 174.900 0.085 0.000 1.131 296 G CA 2.380 47.528 45.100 0.080 0.000 0.756 296 G HN 1.873 nan 8.290 nan 0.000 0.572 297 G N 1.252 110.113 108.800 0.101 0.000 2.545 297 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.217 297 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.217 297 G C 2.056 177.147 174.900 0.319 0.000 1.218 297 G CA 1.724 46.929 45.100 0.175 0.000 0.787 297 G HN 0.767 nan 8.290 nan 0.000 0.571 298 A N -0.215 122.745 122.820 0.233 0.000 2.186 298 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 298 A C 2.275 179.872 177.584 0.022 0.000 1.159 298 A CA 1.889 54.007 52.037 0.135 0.000 0.680 298 A CB -0.325 18.757 19.000 0.136 0.000 0.787 298 A HN 0.538 nan 8.150 nan 0.000 0.467 299 Q N -0.872 118.951 119.800 0.039 0.000 2.123 299 Q HA -0.056 4.284 4.340 -0.000 0.000 0.199 299 Q C 1.739 177.725 176.000 -0.023 0.000 0.966 299 Q CA 0.821 56.611 55.803 -0.021 0.000 0.845 299 Q CB -0.152 28.579 28.738 -0.012 0.000 0.907 299 Q HN 0.513 nan 8.270 nan 0.000 0.439 300 L N 0.605 121.867 121.223 0.065 0.000 2.046 300 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 300 L C 2.199 179.171 176.870 0.170 0.000 1.077 300 L CA 1.543 56.474 54.840 0.151 0.000 0.747 300 L CB -1.336 40.909 42.059 0.311 0.000 0.896 300 L HN 0.360 nan 8.230 nan 0.000 0.432 301 L N -0.414 120.811 121.223 0.003 0.000 2.197 301 L HA -0.246 4.094 4.340 -0.000 0.000 0.215 301 L C 2.011 178.791 176.870 -0.150 0.000 1.095 301 L CA 1.012 55.759 54.840 -0.156 0.000 0.764 301 L CB -0.614 41.247 42.059 -0.330 0.000 0.897 301 L HN 0.293 nan 8.230 nan 0.000 0.436 302 L N -1.117 119.968 121.223 -0.231 0.000 2.660 302 L HA 0.014 4.354 4.340 -0.000 0.000 0.238 302 L C 1.362 178.295 176.870 0.105 0.000 1.161 302 L CA -0.179 54.466 54.840 -0.325 0.000 0.937 302 L CB -0.000 41.817 42.059 -0.403 0.000 1.122 302 L HN 0.035 nan 8.230 nan 0.000 0.435 303 V N -1.681 118.316 119.914 0.138 0.000 3.411 303 V HA 0.183 4.303 4.120 -0.000 0.000 0.287 303 V C 0.451 176.579 176.094 0.056 0.000 1.543 303 V CA -0.174 62.165 62.300 0.065 0.000 1.028 303 V CB 0.372 32.152 31.823 -0.072 0.000 0.840 303 V HN 0.096 nan 8.190 nan 0.000 0.435 304 F N 1.163 121.132 119.950 0.032 0.000 2.375 304 F HA 0.273 4.800 4.527 -0.000 0.000 0.333 304 F C 1.601 177.457 175.800 0.094 0.000 1.104 304 F CA 0.010 58.056 58.000 0.078 0.000 1.149 304 F CB 0.883 39.920 39.000 0.061 0.000 1.190 304 F HN 0.048 nan 8.300 nan 0.000 0.533 305 D N 0.689 121.231 120.400 0.237 0.000 2.091 305 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 305 D C 0.827 177.218 176.300 0.152 0.000 0.980 305 D CA 1.276 55.368 54.000 0.154 0.000 0.831 305 D CB 0.123 40.987 40.800 0.107 0.000 0.987 305 D HN 0.206 nan 8.370 nan 0.000 0.460 306 R N 0.072 120.682 120.500 0.184 0.000 2.732 306 R HA 0.493 4.833 4.340 -0.000 0.000 0.278 306 R C -1.503 174.869 176.300 0.119 0.000 0.976 306 R CA -0.569 55.604 56.100 0.122 0.000 0.963 306 R CB 1.882 32.236 30.300 0.090 0.000 1.150 306 R HN -0.246 nan 8.270 nan 0.000 0.478 307 V N 5.491 125.421 119.914 0.026 0.000 2.610 307 V HA 0.392 4.512 4.120 -0.000 0.000 0.298 307 V C -1.123 174.918 176.094 -0.088 0.000 1.067 307 V CA -0.823 61.432 62.300 -0.076 0.000 0.894 307 V CB 1.798 33.535 31.823 -0.144 0.000 1.015 307 V HN 0.525 nan 8.190 nan 0.000 0.432 308 L N 3.958 125.120 121.223 -0.101 0.000 2.317 308 L HA 0.932 5.272 4.340 -0.000 0.000 0.281 308 L C 0.239 177.055 176.870 -0.090 0.000 1.024 308 L CA -0.323 54.475 54.840 -0.071 0.000 0.810 308 L CB 1.575 43.609 42.059 -0.041 0.000 1.240 308 L HN 0.741 nan 8.230 nan 0.000 0.427 309 A N 1.790 124.600 122.820 -0.017 0.000 2.423 309 A HA 0.733 5.053 4.320 -0.000 0.000 0.304 309 A C -0.153 177.448 177.584 0.029 0.000 1.104 309 A CA -0.489 51.566 52.037 0.030 0.000 0.757 309 A CB 1.679 20.838 19.000 0.266 0.000 1.313 309 A HN 0.740 nan 8.150 nan 0.000 0.423 310 S N 1.020 116.718 115.700 -0.003 0.000 2.489 310 S HA 0.369 4.839 4.470 -0.000 0.000 0.277 310 S C 1.139 175.762 174.600 0.038 0.000 1.230 310 S CA 0.093 58.298 58.200 0.007 0.000 1.053 310 S CB 0.798 63.987 63.200 -0.017 0.000 0.955 310 S HN 1.351 nan 8.310 nan 0.000 0.488 311 S N 2.210 117.944 115.700 0.056 0.000 2.445 311 S HA -0.324 4.146 4.470 -0.000 0.000 0.293 311 S C 1.079 175.745 174.600 0.110 0.000 1.163 311 S CA 1.935 60.183 58.200 0.081 0.000 1.287 311 S CB -1.253 61.983 63.200 0.060 0.000 1.234 311 S HN 1.019 nan 8.310 nan 0.000 0.446 312 D N 2.734 123.191 120.400 0.095 0.000 2.994 312 D HA 0.567 5.207 4.640 -0.000 0.000 0.240 312 D C -0.084 176.308 176.300 0.153 0.000 1.195 312 D CA 0.236 54.325 54.000 0.149 0.000 0.957 312 D CB -0.261 40.609 40.800 0.117 0.000 1.105 312 D HN 0.527 nan 8.370 nan 0.000 0.477 313 A N 0.799 123.676 122.820 0.095 0.000 2.524 313 A HA 0.782 5.102 4.320 -0.000 0.000 0.286 313 A C -1.445 176.000 177.584 -0.231 0.000 1.203 313 A CA -0.996 50.972 52.037 -0.116 0.000 0.736 313 A CB 1.287 20.074 19.000 -0.355 0.000 1.322 313 A HN 0.397 nan 8.150 nan 0.000 0.424 314 Y N -3.149 116.749 120.300 -0.671 0.000 2.715 314 Y HA 0.878 5.428 4.550 -0.000 0.000 0.331 314 Y C -1.420 173.737 175.900 -1.239 0.000 1.197 314 Y CA -2.175 55.353 58.100 -0.952 0.000 1.079 314 Y CB 0.999 38.845 38.460 -1.024 0.000 1.298 314 Y HN 0.489 nan 8.280 nan 0.000 0.477 315 F N 0.864 120.811 119.950 -0.005 0.000 2.588 315 F HA 0.713 5.240 4.527 -0.000 0.000 0.318 315 F C -0.561 175.234 175.800 -0.009 0.000 1.155 315 F CA -0.713 57.267 58.000 -0.033 0.000 0.967 315 F CB 2.245 41.191 39.000 -0.091 0.000 1.236 315 F HN 0.775 nan 8.300 nan 0.000 0.455 316 S N 2.284 118.081 115.700 0.163 0.000 2.547 316 S HA 0.875 5.345 4.470 -0.000 0.000 0.270 316 S C -1.765 172.875 174.600 0.067 0.000 1.150 316 S CA -0.990 57.258 58.200 0.081 0.000 0.850 316 S CB 1.649 64.868 63.200 0.032 0.000 1.118 316 S HN 0.612 nan 8.310 nan 0.000 0.461 317 L N 2.270 123.518 121.223 0.041 0.000 2.353 317 L HA 0.508 4.848 4.340 -0.000 0.000 0.270 317 L C -1.807 175.080 176.870 0.028 0.000 1.003 317 L CA -1.690 53.174 54.840 0.040 0.000 0.862 317 L CB 1.550 43.633 42.059 0.040 0.000 1.221 317 L HN 0.521 nan 8.230 nan 0.000 0.430 318 P HA -0.056 nan 4.420 nan 0.000 0.212 318 P C 0.740 178.046 177.300 0.009 0.000 1.171 318 P CA 0.332 63.436 63.100 0.006 0.000 0.892 318 P CB 0.210 31.910 31.700 -0.001 0.000 0.769 319 A N 0.333 123.163 122.820 0.015 0.000 2.353 319 A HA 0.052 4.372 4.320 -0.000 0.000 0.315 319 A C 1.429 179.027 177.584 0.023 0.000 1.307 319 A CA 0.878 52.928 52.037 0.020 0.000 1.294 319 A CB -1.236 17.782 19.000 0.029 0.000 0.769 319 A HN 0.398 nan 8.150 nan 0.000 0.428 320 A N 2.177 125.007 122.820 0.017 0.000 1.963 320 A HA 0.228 4.548 4.320 -0.000 0.000 0.211 320 A C 1.933 179.528 177.584 0.018 0.000 1.380 320 A CA 1.267 53.316 52.037 0.019 0.000 0.690 320 A CB -0.242 18.766 19.000 0.014 0.000 1.060 320 A HN 0.634 nan 8.150 nan 0.000 0.498 321 K N 0.066 120.474 120.400 0.014 0.000 2.103 321 K HA -0.003 4.317 4.320 -0.000 0.000 0.204 321 K C 0.938 177.547 176.600 0.015 0.000 1.052 321 K CA 1.854 58.149 56.287 0.014 0.000 0.945 321 K CB -0.005 32.501 32.500 0.011 0.000 0.722 321 K HN 0.524 nan 8.250 nan 0.000 0.443 322 E N -1.226 118.983 120.200 0.015 0.000 2.789 322 E HA 0.168 4.518 4.350 -0.000 0.000 0.217 322 E C 0.272 176.881 176.600 0.015 0.000 0.970 322 E CA -0.083 56.327 56.400 0.016 0.000 1.201 322 E CB 1.156 30.866 29.700 0.015 0.000 1.069 322 E HN 0.333 nan 8.360 nan 0.000 0.499 323 G N 1.346 110.156 108.800 0.017 0.000 2.783 323 G HA2 0.436 4.396 3.960 -0.000 0.000 0.182 323 G HA3 0.436 4.396 3.960 -0.000 0.000 0.182 323 G C 0.619 175.528 174.900 0.017 0.000 1.516 323 G CA -0.249 44.862 45.100 0.017 0.000 1.079 323 G HN 0.092 nan 8.290 nan 0.000 0.573 324 I N -2.381 118.205 120.570 0.026 0.000 4.317 324 I HA 0.589 4.759 4.170 -0.000 0.000 0.222 324 I C -0.496 175.654 176.117 0.055 0.000 1.154 324 I CA -1.113 60.201 61.300 0.022 0.000 1.457 324 I CB 0.930 38.939 38.000 0.015 0.000 1.384 324 I HN 0.135 nan 8.210 nan 0.000 0.453 325 I N 2.068 122.687 120.570 0.083 0.000 2.377 325 I HA 0.320 4.490 4.170 -0.000 0.000 0.293 325 I C -2.246 174.004 176.117 0.222 0.000 0.987 325 I CA -1.726 59.670 61.300 0.161 0.000 1.185 325 I CB 1.867 39.997 38.000 0.218 0.000 1.341 325 I HN 0.344 nan 8.210 nan 0.000 0.455 326 P HA 0.162 nan 4.420 nan 0.000 0.219 326 P C 0.604 177.982 177.300 0.131 0.000 1.832 326 P CA 0.228 63.415 63.100 0.145 0.000 1.014 326 P CB 0.232 31.986 31.700 0.090 0.000 1.939 327 G N 3.505 112.422 108.800 0.194 0.000 2.627 327 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.312 327 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.312 327 G C 0.851 175.655 174.900 -0.161 0.000 1.299 327 G CA 0.296 45.349 45.100 -0.078 0.000 0.989 327 G HN 0.529 nan 8.290 nan 0.000 0.547 328 A N 0.189 122.882 122.820 -0.212 0.000 2.327 328 A HA 0.669 4.989 4.320 -0.000 0.000 0.228 328 A C 2.345 179.777 177.584 -0.253 0.000 1.275 328 A CA 1.276 53.137 52.037 -0.293 0.000 0.875 328 A CB -0.610 18.245 19.000 -0.242 0.000 0.925 328 A HN 2.096 nan 8.150 nan 0.000 0.493 329 A N 0.335 123.084 122.820 -0.118 0.000 2.121 329 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 329 A C 1.605 179.145 177.584 -0.074 0.000 1.154 329 A CA 1.577 53.562 52.037 -0.087 0.000 0.679 329 A CB -0.402 18.577 19.000 -0.036 0.000 0.795 329 A HN 0.557 nan 8.150 nan 0.000 0.458 330 N N -0.881 117.780 118.700 -0.066 0.000 2.446 330 N HA 0.048 4.788 4.740 -0.000 0.000 0.179 330 N C 1.287 176.708 175.510 -0.148 0.000 1.054 330 N CA 0.780 53.828 53.050 -0.003 0.000 0.905 330 N CB -0.042 38.583 38.487 0.230 0.000 0.973 330 N HN 0.508 nan 8.380 nan 0.000 0.448 331 L N -0.610 120.319 121.223 -0.490 0.000 2.463 331 L HA 0.275 4.615 4.340 -0.000 0.000 0.219 331 L C 1.537 178.280 176.870 -0.212 0.000 1.088 331 L CA 0.917 55.461 54.840 -0.493 0.000 0.849 331 L CB 0.291 41.755 42.059 -0.991 0.000 1.012 331 L HN -0.096 nan 8.230 nan 0.000 0.468 332 R N -1.499 118.912 120.500 -0.147 0.000 2.164 332 R HA 0.161 4.501 4.340 -0.000 0.000 0.198 332 R C 1.896 178.304 176.300 0.179 0.000 1.028 332 R CA 0.551 56.669 56.100 0.030 0.000 1.083 332 R CB -0.462 29.862 30.300 0.041 0.000 1.026 332 R HN 0.140 nan 8.270 nan 0.000 0.514 333 L N 1.301 122.561 121.223 0.063 0.000 2.051 333 L HA -0.117 4.223 4.340 -0.000 0.000 0.214 333 L C 2.051 179.007 176.870 0.144 0.000 1.076 333 L CA 2.210 57.098 54.840 0.080 0.000 0.758 333 L CB -1.042 41.016 42.059 -0.001 0.000 0.890 333 L HN 0.284 nan 8.230 nan 0.000 0.433 334 G N -0.895 107.951 108.800 0.077 0.000 2.553 334 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.218 334 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.218 334 G C 1.742 176.672 174.900 0.050 0.000 1.195 334 G CA 0.913 46.045 45.100 0.052 0.000 0.779 334 G HN 0.459 nan 8.290 nan 0.000 0.577 335 R N -0.593 119.924 120.500 0.027 0.000 2.249 335 R HA -0.031 4.309 4.340 -0.000 0.000 0.230 335 R C 1.928 178.142 176.300 -0.142 0.000 1.121 335 R CA 1.077 57.132 56.100 -0.075 0.000 0.997 335 R CB -0.280 29.939 30.300 -0.135 0.000 0.867 335 R HN 0.447 nan 8.270 nan 0.000 0.465 336 F N -1.176 118.745 119.950 -0.048 0.000 2.437 336 F HA 0.244 4.771 4.527 -0.000 0.000 0.288 336 F C 1.830 177.604 175.800 -0.042 0.000 1.085 336 F CA 0.887 58.857 58.000 -0.050 0.000 1.430 336 F CB 0.516 39.478 39.000 -0.063 0.000 1.120 336 F HN 0.087 nan 8.300 nan 0.000 0.556 337 A N -0.644 122.269 122.820 0.154 0.000 2.704 337 A HA 0.588 4.908 4.320 -0.000 0.000 0.260 337 A C 0.717 178.330 177.584 0.049 0.000 1.144 337 A CA 0.345 52.432 52.037 0.083 0.000 0.985 337 A CB -0.458 18.584 19.000 0.071 0.000 1.256 337 A HN 0.521 nan 8.150 nan 0.000 0.598 338 G N -0.203 108.622 108.800 0.041 0.000 2.699 338 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.686 338 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.686 338 G C -1.824 173.092 174.900 0.028 0.000 1.301 338 G CA -0.265 44.851 45.100 0.026 0.000 0.816 338 G HN -0.004 nan 8.290 nan 0.000 0.595 339 P HA -0.067 nan 4.420 nan 0.000 0.220 339 P C 1.993 179.307 177.300 0.024 0.000 1.148 339 P CA 1.246 64.359 63.100 0.023 0.000 0.803 339 P CB 0.111 31.823 31.700 0.019 0.000 0.782 340 R N -0.774 119.740 120.500 0.023 0.000 2.052 340 R HA 0.026 4.366 4.340 -0.000 0.000 0.224 340 R C 2.206 178.521 176.300 0.026 0.000 1.149 340 R CA 0.940 57.054 56.100 0.023 0.000 0.962 340 R CB -1.595 28.717 30.300 0.021 0.000 0.856 340 R HN 0.085 nan 8.270 nan 0.000 0.433 341 V N 1.801 121.732 119.914 0.028 0.000 2.252 341 V HA -0.341 3.779 4.120 -0.000 0.000 0.255 341 V C 2.383 178.493 176.094 0.027 0.000 1.071 341 V CA 2.492 64.810 62.300 0.030 0.000 1.050 341 V CB -0.777 31.066 31.823 0.034 0.000 0.654 341 V HN 0.314 nan 8.190 nan 0.000 0.448 342 S N -0.812 114.905 115.700 0.028 0.000 2.368 342 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 342 S C 2.012 176.628 174.600 0.027 0.000 1.029 342 S CA 1.302 59.518 58.200 0.027 0.000 0.988 342 S CB -0.331 62.887 63.200 0.031 0.000 0.838 342 S HN 0.556 nan 8.310 nan 0.000 0.462 343 R N 1.067 121.583 120.500 0.028 0.000 2.148 343 R HA 0.005 4.345 4.340 -0.000 0.000 0.227 343 R C 2.478 178.793 176.300 0.025 0.000 1.103 343 R CA 0.903 57.020 56.100 0.028 0.000 0.983 343 R CB -0.199 30.117 30.300 0.027 0.000 0.874 343 R HN 0.525 nan 8.270 nan 0.000 0.451 344 Q N 0.016 119.830 119.800 0.024 0.000 2.020 344 Q HA -0.087 4.253 4.340 -0.000 0.000 0.198 344 Q C 2.258 178.270 176.000 0.020 0.000 0.974 344 Q CA 1.376 57.193 55.803 0.022 0.000 0.829 344 Q CB 0.027 28.780 28.738 0.025 0.000 0.894 344 Q HN 0.123 nan 8.270 nan 0.000 0.433 345 V N 1.027 120.953 119.914 0.019 0.000 2.261 345 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 345 V C 2.131 178.236 176.094 0.018 0.000 1.047 345 V CA 1.761 64.071 62.300 0.016 0.000 1.015 345 V CB -0.457 31.374 31.823 0.013 0.000 0.642 345 V HN 0.317 nan 8.190 nan 0.000 0.446 346 I N -0.809 119.775 120.570 0.023 0.000 2.270 346 I HA -0.137 4.033 4.170 -0.000 0.000 0.239 346 I C 2.310 178.445 176.117 0.030 0.000 1.080 346 I CA 1.264 62.582 61.300 0.030 0.000 1.383 346 I CB -0.307 37.717 38.000 0.039 0.000 1.097 346 I HN 0.194 nan 8.210 nan 0.000 0.420 347 L N 0.322 121.563 121.223 0.030 0.000 2.046 347 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 347 L C 1.403 178.285 176.870 0.021 0.000 1.077 347 L CA 1.463 56.320 54.840 0.027 0.000 0.747 347 L CB -0.399 41.676 42.059 0.027 0.000 0.896 347 L HN 0.315 nan 8.230 nan 0.000 0.432 348 E N -0.193 120.018 120.200 0.018 0.000 2.585 348 E HA 0.145 4.495 4.350 -0.000 0.000 0.206 348 E C 0.808 177.414 176.600 0.009 0.000 1.007 348 E CA 0.322 56.730 56.400 0.014 0.000 1.028 348 E CB 0.662 30.370 29.700 0.015 0.000 1.087 348 E HN 0.428 nan 8.360 nan 0.000 0.455 349 G N 3.315 112.121 108.800 0.009 0.000 2.416 349 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.301 349 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.301 349 G C 0.408 175.301 174.900 -0.011 0.000 0.985 349 G CA 0.965 46.065 45.100 0.000 0.000 0.934 349 G HN 0.318 nan 8.290 nan 0.000 0.513 350 R N -0.431 120.067 120.500 -0.004 0.000 2.784 350 R HA 0.428 4.768 4.340 -0.000 0.000 0.266 350 R C 0.652 176.931 176.300 -0.034 0.000 1.044 350 R CA -0.091 56.004 56.100 -0.009 0.000 1.151 350 R CB 0.352 30.659 30.300 0.011 0.000 1.037 350 R HN 0.436 nan 8.270 nan 0.000 0.478 351 R N 3.846 124.302 120.500 -0.073 0.000 2.599 351 R HA 0.425 4.765 4.340 -0.000 0.000 0.295 351 R C -1.104 175.090 176.300 -0.177 0.000 0.963 351 R CA -0.591 55.404 56.100 -0.175 0.000 0.883 351 R CB 1.102 31.169 30.300 -0.388 0.000 1.171 351 R HN 0.568 nan 8.270 nan 0.000 0.450 352 I N 3.326 123.821 120.570 -0.126 0.000 2.493 352 I HA 0.434 4.604 4.170 -0.000 0.000 0.298 352 I C -0.864 175.221 176.117 -0.053 0.000 0.998 352 I CA -0.919 60.386 61.300 0.008 0.000 1.137 352 I CB 1.525 39.617 38.000 0.155 0.000 1.310 352 I HN 0.540 nan 8.210 nan 0.000 0.445 353 W N 2.837 124.242 121.300 0.175 0.000 2.570 353 W HA 0.570 5.230 4.660 0.000 0.000 0.337 353 W C 1.156 177.791 176.519 0.194 0.000 1.067 353 W CA -0.556 56.881 57.345 0.152 0.000 1.229 353 W CB 1.354 30.870 29.460 0.093 0.000 1.355 353 W HN 0.578 nan 8.180 nan 0.000 0.555 354 A N 1.973 125.037 122.820 0.406 0.000 1.948 354 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 354 A C 1.829 179.561 177.584 0.247 0.000 1.177 354 A CA 1.453 53.705 52.037 0.358 0.000 0.636 354 A CB -0.235 18.923 19.000 0.263 0.000 0.815 354 A HN 0.530 nan 8.150 nan 0.000 0.449 355 K N 0.558 121.091 120.400 0.222 0.000 2.458 355 K HA 0.035 4.355 4.320 -0.000 0.000 0.194 355 K C 0.098 176.773 176.600 0.126 0.000 1.024 355 K CA 0.281 56.653 56.287 0.141 0.000 1.108 355 K CB -0.032 32.525 32.500 0.095 0.000 0.846 355 K HN 0.916 nan 8.250 nan 0.000 0.518 356 E N -0.166 120.137 120.200 0.172 0.000 2.216 356 E HA 0.199 4.549 4.350 -0.000 0.000 0.279 356 E C -2.265 174.404 176.600 0.116 0.000 0.997 356 E CA -2.098 54.387 56.400 0.141 0.000 0.817 356 E CB 1.242 31.057 29.700 0.192 0.000 1.096 356 E HN -0.286 nan 8.360 nan 0.000 0.393 357 P HA -0.288 nan 4.420 nan 0.000 0.216 357 P C 0.537 177.875 177.300 0.063 0.000 1.167 357 P CA 1.730 64.867 63.100 0.062 0.000 0.933 357 P CB 0.097 31.827 31.700 0.050 0.000 0.793 358 E N -1.132 119.109 120.200 0.069 0.000 2.455 358 E HA -0.138 4.212 4.350 -0.000 0.000 0.202 358 E C 1.827 178.462 176.600 0.058 0.000 1.045 358 E CA 0.696 57.133 56.400 0.060 0.000 0.872 358 E CB -0.404 29.334 29.700 0.064 0.000 0.792 358 E HN 0.257 nan 8.360 nan 0.000 0.542 359 A N 1.128 123.996 122.820 0.079 0.000 2.066 359 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 359 A C 1.771 179.355 177.584 0.001 0.000 1.157 359 A CA 0.507 52.585 52.037 0.068 0.000 0.670 359 A CB 0.053 19.149 19.000 0.162 0.000 0.804 359 A HN 0.008 nan 8.150 nan 0.000 0.453 360 R N -0.017 120.495 120.500 0.021 0.000 2.346 360 R HA 0.132 4.472 4.340 -0.000 0.000 0.199 360 R C 1.033 177.337 176.300 0.006 0.000 1.015 360 R CA 0.274 56.378 56.100 0.006 0.000 1.058 360 R CB -0.624 29.688 30.300 0.019 0.000 0.921 360 R HN 0.569 nan 8.270 nan 0.000 0.475 361 L N -0.451 120.776 121.223 0.006 0.000 2.446 361 L HA 0.054 4.394 4.340 -0.000 0.000 0.219 361 L C 1.572 178.489 176.870 0.079 0.000 1.116 361 L CA 0.803 55.670 54.840 0.045 0.000 0.844 361 L CB 0.029 42.116 42.059 0.047 0.000 0.970 361 L HN 0.092 nan 8.230 nan 0.000 0.457 362 L N -2.247 118.935 121.223 -0.068 0.000 2.948 362 L HA 0.264 4.604 4.340 -0.000 0.000 0.259 362 L C 0.048 176.763 176.870 -0.258 0.000 1.136 362 L CA -0.125 54.593 54.840 -0.203 0.000 0.959 362 L CB 0.877 42.665 42.059 -0.451 0.000 1.370 362 L HN -0.193 nan 8.230 nan 0.000 0.552 363 V N 0.102 119.883 119.914 -0.222 0.000 2.555 363 V HA 0.266 4.386 4.120 -0.000 0.000 0.302 363 V C 0.166 176.218 176.094 -0.070 0.000 1.038 363 V CA -0.474 61.711 62.300 -0.190 0.000 0.887 363 V CB 2.354 34.055 31.823 -0.204 0.000 0.991 363 V HN 0.059 nan 8.190 nan 0.000 0.434 364 D N 1.887 122.259 120.400 -0.047 0.000 2.240 364 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 364 D C 0.317 176.613 176.300 -0.007 0.000 0.963 364 D CA 0.919 54.911 54.000 -0.013 0.000 0.863 364 D CB 0.881 41.681 40.800 0.000 0.000 0.973 364 D HN 0.667 nan 8.370 nan 0.000 0.501 365 E N 0.148 120.342 120.200 -0.010 0.000 2.304 365 E HA 0.359 4.709 4.350 -0.000 0.000 0.277 365 E C -1.292 175.315 176.600 0.013 0.000 0.898 365 E CA -0.428 55.974 56.400 0.003 0.000 0.764 365 E CB 3.412 33.113 29.700 0.002 0.000 1.216 365 E HN -0.263 nan 8.360 nan 0.000 0.419 366 V N 3.244 123.176 119.914 0.030 0.000 2.284 366 V HA 0.295 4.415 4.120 -0.000 0.000 0.274 366 V C -0.542 175.576 176.094 0.040 0.000 1.023 366 V CA -0.685 61.645 62.300 0.050 0.000 0.808 366 V CB 1.360 33.233 31.823 0.082 0.000 1.035 366 V HN 0.416 nan 8.190 nan 0.000 0.445 367 V N 4.085 124.017 119.914 0.029 0.000 2.555 367 V HA 0.563 4.683 4.120 -0.000 0.000 0.302 367 V C 0.232 176.338 176.094 0.020 0.000 1.038 367 V CA -0.553 61.760 62.300 0.021 0.000 0.887 367 V CB 2.063 33.894 31.823 0.012 0.000 0.991 367 V HN 0.840 nan 8.190 nan 0.000 0.434 368 E N 7.744 127.955 120.200 0.020 0.000 2.568 368 E HA -0.000 4.350 4.350 -0.000 0.000 0.262 368 E C -1.560 175.048 176.600 0.014 0.000 0.961 368 E CA -0.908 55.504 56.400 0.019 0.000 0.945 368 E CB 0.704 30.414 29.700 0.016 0.000 0.924 368 E HN 0.584 nan 8.360 nan 0.000 0.467 369 P HA -0.227 nan 4.420 nan 0.000 0.217 369 P C 0.376 177.681 177.300 0.008 0.000 1.148 369 P CA 1.738 64.843 63.100 0.008 0.000 0.834 369 P CB 0.118 31.825 31.700 0.012 0.000 0.783 370 D N -1.181 119.225 120.400 0.011 0.000 2.336 370 D HA -0.057 4.583 4.640 -0.000 0.000 0.229 370 D C 1.251 177.556 176.300 0.008 0.000 1.061 370 D CA 0.359 54.365 54.000 0.010 0.000 0.875 370 D CB -0.319 40.488 40.800 0.011 0.000 0.904 370 D HN 0.299 nan 8.370 nan 0.000 0.525 371 E N -0.752 119.453 120.200 0.008 0.000 2.606 371 E HA 0.079 4.429 4.350 -0.000 0.000 0.224 371 E C 1.146 177.749 176.600 0.005 0.000 0.930 371 E CA -0.301 56.103 56.400 0.007 0.000 1.125 371 E CB 0.300 30.004 29.700 0.008 0.000 1.123 371 E HN 0.061 nan 8.360 nan 0.000 0.522 372 L N 2.247 123.472 121.223 0.003 0.000 2.012 372 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 372 L C 1.366 178.236 176.870 0.000 0.000 1.073 372 L CA 2.073 56.913 54.840 -0.001 0.000 0.748 372 L CB -0.408 41.647 42.059 -0.006 0.000 0.891 372 L HN -0.007 nan 8.230 nan 0.000 0.431 373 D N -0.329 120.072 120.400 0.002 0.000 2.133 373 D HA -0.210 4.430 4.640 -0.000 0.000 0.195 373 D C 2.193 178.496 176.300 0.004 0.000 0.997 373 D CA 1.658 55.661 54.000 0.004 0.000 0.840 373 D CB -0.336 40.467 40.800 0.006 0.000 0.947 373 D HN 0.487 nan 8.370 nan 0.000 0.452 374 A N 0.913 123.735 122.820 0.004 0.000 1.858 374 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 374 A C 2.325 179.910 177.584 0.003 0.000 1.190 374 A CA 2.418 54.457 52.037 0.003 0.000 0.617 374 A CB -1.009 17.993 19.000 0.004 0.000 0.827 374 A HN 0.235 nan 8.150 nan 0.000 0.443 375 A N 0.242 123.064 122.820 0.003 0.000 1.873 375 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 375 A C 2.130 179.717 177.584 0.004 0.000 1.193 375 A CA 1.737 53.776 52.037 0.003 0.000 0.629 375 A CB -0.827 18.175 19.000 0.002 0.000 0.826 375 A HN 0.531 nan 8.150 nan 0.000 0.447 376 I N -0.428 120.144 120.570 0.004 0.000 2.087 376 I HA -0.300 3.870 4.170 -0.000 0.000 0.240 376 I C 2.474 178.597 176.117 0.009 0.000 1.054 376 I CA 1.724 63.029 61.300 0.008 0.000 1.311 376 I CB -0.648 37.358 38.000 0.009 0.000 1.024 376 I HN 0.303 nan 8.210 nan 0.000 0.402 377 E N 0.844 121.048 120.200 0.006 0.000 2.171 377 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 377 E C 2.245 178.845 176.600 -0.000 0.000 0.997 377 E CA 1.252 57.653 56.400 0.002 0.000 0.810 377 E CB -0.271 29.430 29.700 0.001 0.000 0.738 377 E HN 0.531 nan 8.360 nan 0.000 0.467 378 R N 0.199 120.700 120.500 0.001 0.000 2.200 378 R HA 0.015 4.354 4.340 -0.000 0.000 0.208 378 R C 2.463 178.763 176.300 -0.001 0.000 1.033 378 R CA 0.996 57.095 56.100 -0.001 0.000 1.000 378 R CB 0.019 30.318 30.300 -0.000 0.000 0.906 378 R HN 0.141 nan 8.270 nan 0.000 0.462 379 S N 0.955 116.658 115.700 0.004 0.000 2.395 379 S HA -0.024 4.446 4.470 -0.000 0.000 0.225 379 S C 2.008 176.610 174.600 0.003 0.000 1.027 379 S CA 0.501 58.705 58.200 0.007 0.000 0.965 379 S CB -0.359 62.851 63.200 0.016 0.000 0.812 379 S HN 0.156 nan 8.310 nan 0.000 0.482 380 L N 2.304 123.528 121.223 0.001 0.000 2.261 380 L HA -0.058 4.282 4.340 -0.000 0.000 0.216 380 L C 2.673 179.530 176.870 -0.022 0.000 1.114 380 L CA 1.462 56.295 54.840 -0.011 0.000 0.777 380 L CB -1.070 40.982 42.059 -0.011 0.000 0.910 380 L HN 0.596 nan 8.230 nan 0.000 0.440 381 T N -4.228 110.317 114.554 -0.016 0.000 3.107 381 T HA 0.073 4.423 4.350 -0.000 0.000 0.249 381 T C 1.576 176.265 174.700 -0.018 0.000 1.096 381 T CA -0.076 62.012 62.100 -0.019 0.000 1.012 381 T CB 0.007 68.866 68.868 -0.015 0.000 0.977 381 T HN 0.309 nan 8.240 nan 0.000 0.527 382 R N 0.135 120.626 120.500 -0.015 0.000 2.397 382 R HA 0.411 4.751 4.340 -0.000 0.000 0.241 382 R C 0.824 177.113 176.300 -0.018 0.000 0.914 382 R CA 0.004 56.096 56.100 -0.014 0.000 1.071 382 R CB 0.233 30.529 30.300 -0.007 0.000 1.116 382 R HN 0.369 nan 8.270 nan 0.000 0.524 383 L N 0.582 121.790 121.223 -0.025 0.000 2.872 383 L HA 0.157 4.497 4.340 -0.000 0.000 0.245 383 L C 0.935 177.777 176.870 -0.047 0.000 1.211 383 L CA -0.160 54.660 54.840 -0.032 0.000 1.013 383 L CB 0.219 42.259 42.059 -0.033 0.000 1.326 383 L HN 0.021 nan 8.230 nan 0.000 0.525 384 D N 1.421 121.796 120.400 -0.042 0.000 2.108 384 D HA -0.115 4.525 4.640 -0.000 0.000 0.190 384 D C 1.424 177.697 176.300 -0.045 0.000 0.995 384 D CA 1.463 55.436 54.000 -0.046 0.000 0.834 384 D CB 0.096 40.874 40.800 -0.036 0.000 0.967 384 D HN 0.358 nan 8.370 nan 0.000 0.446 385 G N -0.017 108.760 108.800 -0.037 0.000 2.597 385 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.283 385 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.283 385 G C 0.561 175.439 174.900 -0.038 0.000 1.319 385 G CA 0.284 45.363 45.100 -0.034 0.000 1.054 385 G HN 0.142 nan 8.290 nan 0.000 0.583 386 D N -1.855 118.524 120.400 -0.035 0.000 2.454 386 D HA 0.197 4.837 4.640 -0.000 0.000 0.214 386 D C 2.397 178.672 176.300 -0.041 0.000 1.088 386 D CA 0.730 54.708 54.000 -0.037 0.000 0.855 386 D CB 0.104 40.885 40.800 -0.033 0.000 1.025 386 D HN 0.309 nan 8.370 nan 0.000 0.502 387 A N 0.297 123.094 122.820 -0.038 0.000 1.873 387 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 387 A C 2.375 179.936 177.584 -0.037 0.000 1.186 387 A CA 1.337 53.351 52.037 -0.038 0.000 0.616 387 A CB -0.819 18.162 19.000 -0.032 0.000 0.823 387 A HN 0.144 nan 8.150 nan 0.000 0.442 388 V N 0.257 120.150 119.914 -0.035 0.000 2.469 388 V HA -0.261 3.859 4.120 -0.000 0.000 0.251 388 V C 2.536 178.608 176.094 -0.036 0.000 1.064 388 V CA 1.914 64.194 62.300 -0.033 0.000 1.066 388 V CB -0.635 31.169 31.823 -0.033 0.000 0.667 388 V HN 0.567 nan 8.190 nan 0.000 0.461 389 L N -0.443 120.755 121.223 -0.041 0.000 2.093 389 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 389 L C 2.658 179.502 176.870 -0.043 0.000 1.085 389 L CA 1.518 56.333 54.840 -0.042 0.000 0.755 389 L CB -0.702 41.331 42.059 -0.043 0.000 0.904 389 L HN 0.380 nan 8.230 nan 0.000 0.435 390 A N -0.090 122.702 122.820 -0.047 0.000 1.897 390 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 390 A C 2.009 179.565 177.584 -0.047 0.000 1.181 390 A CA 1.414 53.420 52.037 -0.052 0.000 0.620 390 A CB -0.448 18.518 19.000 -0.057 0.000 0.821 390 A HN 0.375 nan 8.150 nan 0.000 0.443 391 N N -0.518 118.157 118.700 -0.041 0.000 2.309 391 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 391 N C 1.792 177.279 175.510 -0.038 0.000 1.018 391 N CA 0.801 53.828 53.050 -0.038 0.000 0.876 391 N CB -0.356 38.111 38.487 -0.034 0.000 0.972 391 N HN 0.531 nan 8.380 nan 0.000 0.434 392 R N 0.954 121.432 120.500 -0.036 0.000 2.066 392 R HA 0.020 4.360 4.340 -0.000 0.000 0.232 392 R C 2.226 178.501 176.300 -0.041 0.000 1.131 392 R CA 0.955 57.036 56.100 -0.033 0.000 0.955 392 R CB -0.021 30.264 30.300 -0.025 0.000 0.851 392 R HN 0.113 nan 8.270 nan 0.000 0.432 393 R N -0.141 120.332 120.500 -0.046 0.000 2.096 393 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 393 R C 2.077 178.345 176.300 -0.053 0.000 1.127 393 R CA 1.445 57.513 56.100 -0.053 0.000 0.968 393 R CB -0.032 30.234 30.300 -0.056 0.000 0.861 393 R HN 0.149 nan 8.270 nan 0.000 0.440 394 M N 0.485 120.055 119.600 -0.049 0.000 2.132 394 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 394 M C 2.253 178.524 176.300 -0.048 0.000 1.065 394 M CA 1.439 56.711 55.300 -0.046 0.000 1.122 394 M CB -0.787 31.787 32.600 -0.043 0.000 1.365 394 M HN 0.227 nan 8.290 nan 0.000 0.411 395 L N -0.025 121.168 121.223 -0.050 0.000 2.056 395 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 395 L C 2.166 178.997 176.870 -0.064 0.000 1.078 395 L CA 0.868 55.674 54.840 -0.056 0.000 0.749 395 L CB -0.722 41.304 42.059 -0.056 0.000 0.901 395 L HN 0.338 nan 8.230 nan 0.000 0.433 396 N N 0.168 118.830 118.700 -0.062 0.000 2.289 396 N HA -0.187 4.553 4.740 -0.000 0.000 0.184 396 N C 1.878 177.349 175.510 -0.065 0.000 1.016 396 N CA 1.082 54.090 53.050 -0.070 0.000 0.872 396 N CB -0.142 38.301 38.487 -0.075 0.000 0.973 396 N HN 0.358 nan 8.380 nan 0.000 0.433 397 L N 0.626 121.816 121.223 -0.056 0.000 2.093 397 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 397 L C 2.065 178.910 176.870 -0.041 0.000 1.085 397 L CA 0.965 55.779 54.840 -0.044 0.000 0.755 397 L CB -0.182 41.853 42.059 -0.040 0.000 0.904 397 L HN 0.062 nan 8.230 nan 0.000 0.435 398 A N -0.803 121.988 122.820 -0.048 0.000 2.016 398 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 398 A C 1.711 179.261 177.584 -0.056 0.000 1.162 398 A CA 1.417 53.425 52.037 -0.048 0.000 0.662 398 A CB -0.320 18.649 19.000 -0.051 0.000 0.812 398 A HN 0.436 nan 8.150 nan 0.000 0.450 399 D N -0.468 119.890 120.400 -0.070 0.000 2.106 399 D HA 0.016 4.656 4.640 -0.000 0.000 0.203 399 D C 0.786 177.047 176.300 -0.066 0.000 0.977 399 D CA 0.946 54.895 54.000 -0.086 0.000 0.844 399 D CB 0.024 40.756 40.800 -0.115 0.000 1.002 399 D HN 0.547 nan 8.370 nan 0.000 0.461 400 E N 0.742 120.907 120.200 -0.059 0.000 2.255 400 E HA 0.270 4.620 4.350 -0.000 0.000 0.245 400 E C -0.889 175.704 176.600 -0.012 0.000 0.909 400 E CA -0.368 56.009 56.400 -0.038 0.000 0.747 400 E CB 0.742 30.396 29.700 -0.077 0.000 1.215 400 E HN 0.052 nan 8.360 nan 0.000 0.424 401 S N 3.014 118.720 115.700 0.010 0.000 2.564 401 S HA 0.179 4.649 4.470 -0.000 0.000 0.278 401 S C -1.751 172.889 174.600 0.066 0.000 1.333 401 S CA -1.097 57.117 58.200 0.023 0.000 1.048 401 S CB 1.261 64.471 63.200 0.017 0.000 0.900 401 S HN 0.336 nan 8.310 nan 0.000 0.505 402 P HA -0.159 nan 4.420 nan 0.000 0.218 402 P C 0.596 177.969 177.300 0.121 0.000 1.152 402 P CA 1.507 64.678 63.100 0.118 0.000 0.857 402 P CB 0.011 31.757 31.700 0.078 0.000 0.787 403 D N -1.440 119.002 120.400 0.070 0.000 2.077 403 D HA -0.076 4.564 4.640 -0.000 0.000 0.196 403 D C 2.298 178.629 176.300 0.052 0.000 0.986 403 D CA 1.661 55.688 54.000 0.044 0.000 0.829 403 D CB -1.163 39.651 40.800 0.023 0.000 0.983 403 D HN 0.034 nan 8.370 nan 0.000 0.453 404 G N -0.027 108.812 108.800 0.065 0.000 2.476 404 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 404 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 404 G C 1.523 176.494 174.900 0.119 0.000 1.164 404 G CA 0.779 45.923 45.100 0.074 0.000 0.768 404 G HN 0.267 nan 8.290 nan 0.000 0.560 405 F N 1.427 121.362 119.950 -0.025 0.000 2.102 405 F HA 0.031 4.558 4.527 -0.000 0.000 0.298 405 F C 2.678 178.460 175.800 -0.030 0.000 1.105 405 F CA 1.744 59.714 58.000 -0.051 0.000 1.239 405 F CB -0.411 38.519 39.000 -0.116 0.000 0.991 405 F HN 0.074 nan 8.300 nan 0.000 0.474 406 R N 0.291 120.710 120.500 -0.135 0.000 2.096 406 R HA -0.203 4.137 4.340 -0.000 0.000 0.240 406 R C 2.393 178.563 176.300 -0.217 0.000 1.139 406 R CA 1.588 57.538 56.100 -0.249 0.000 0.952 406 R CB -0.795 29.450 30.300 -0.093 0.000 0.854 406 R HN 0.402 nan 8.270 nan 0.000 0.436 407 A N -0.113 122.647 122.820 -0.101 0.000 1.908 407 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 407 A C 2.039 179.580 177.584 -0.072 0.000 1.181 407 A CA 1.529 53.524 52.037 -0.071 0.000 0.627 407 A CB -0.919 18.071 19.000 -0.017 0.000 0.818 407 A HN 0.648 nan 8.150 nan 0.000 0.445 408 Y N -0.451 119.757 120.300 -0.154 0.000 2.293 408 Y HA -0.157 4.393 4.550 -0.000 0.000 0.291 408 Y C 2.206 178.008 175.900 -0.163 0.000 1.137 408 Y CA 1.863 59.886 58.100 -0.128 0.000 1.202 408 Y CB -0.081 38.312 38.460 -0.111 0.000 0.990 408 Y HN 0.207 nan 8.280 nan 0.000 0.537 409 M N -0.335 119.100 119.600 -0.276 0.000 2.288 409 M HA -0.025 4.455 4.480 -0.000 0.000 0.266 409 M C 2.385 178.577 176.300 -0.179 0.000 1.072 409 M CA 1.170 56.292 55.300 -0.297 0.000 1.132 409 M CB -1.617 30.663 32.600 -0.534 0.000 1.386 409 M HN 0.433 nan 8.290 nan 0.000 0.432 410 A N 0.592 123.292 122.820 -0.199 0.000 1.834 410 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 410 A C 2.125 179.626 177.584 -0.138 0.000 1.203 410 A CA 1.601 53.543 52.037 -0.159 0.000 0.621 410 A CB -0.698 18.211 19.000 -0.153 0.000 0.841 410 A HN 0.384 nan 8.150 nan 0.000 0.446 411 E N -0.969 119.137 120.200 -0.158 0.000 2.085 411 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 411 E C 1.786 178.289 176.600 -0.162 0.000 0.994 411 E CA 1.333 57.641 56.400 -0.153 0.000 0.801 411 E CB -0.555 29.048 29.700 -0.161 0.000 0.743 411 E HN 0.654 nan 8.360 nan 0.000 0.453 412 F N 1.591 121.305 119.950 -0.394 0.000 2.120 412 F HA -0.265 4.262 4.527 -0.000 0.000 0.300 412 F C 2.237 177.922 175.800 -0.192 0.000 1.095 412 F CA 1.692 59.479 58.000 -0.355 0.000 1.249 412 F CB -0.317 38.405 39.000 -0.464 0.000 0.995 412 F HN -0.008 nan 8.300 nan 0.000 0.480 413 A N -0.021 122.726 122.820 -0.122 0.000 1.933 413 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 413 A C 2.046 179.516 177.584 -0.190 0.000 1.175 413 A CA 1.854 53.797 52.037 -0.158 0.000 0.628 413 A CB -1.059 17.914 19.000 -0.045 0.000 0.814 413 A HN 0.514 nan 8.150 nan 0.000 0.444 414 L N -1.794 119.336 121.223 -0.154 0.000 2.354 414 L HA 0.136 4.476 4.340 -0.000 0.000 0.212 414 L C 2.028 178.814 176.870 -0.140 0.000 1.091 414 L CA 1.249 56.022 54.840 -0.112 0.000 0.828 414 L CB -0.320 41.695 42.059 -0.073 0.000 0.973 414 L HN 0.217 nan 8.230 nan 0.000 0.461 415 M N -1.004 118.477 119.600 -0.198 0.000 2.248 415 M HA -0.033 4.447 4.480 -0.000 0.000 0.265 415 M C 2.205 178.352 176.300 -0.255 0.000 1.079 415 M CA 1.186 56.374 55.300 -0.186 0.000 1.150 415 M CB -0.898 31.604 32.600 -0.164 0.000 1.366 415 M HN 0.344 nan 8.290 nan 0.000 0.433 416 Q N 0.673 120.190 119.800 -0.471 0.000 2.167 416 Q HA 0.043 4.383 4.340 -0.000 0.000 0.202 416 Q C 1.948 177.757 176.000 -0.319 0.000 0.970 416 Q CA 1.986 57.474 55.803 -0.525 0.000 0.855 416 Q CB -0.305 27.785 28.738 -1.080 0.000 0.911 416 Q HN 0.421 nan 8.270 nan 0.000 0.438 417 A N 0.291 122.955 122.820 -0.259 0.000 1.877 417 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 417 A C 2.081 179.625 177.584 -0.067 0.000 1.186 417 A CA 1.487 53.445 52.037 -0.132 0.000 0.620 417 A CB -0.831 18.137 19.000 -0.054 0.000 0.822 417 A HN 0.453 nan 8.150 nan 0.000 0.443 418 L N -1.115 120.069 121.223 -0.066 0.000 2.017 418 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 418 L C 2.774 179.620 176.870 -0.039 0.000 1.073 418 L CA 1.215 56.041 54.840 -0.024 0.000 0.745 418 L CB -0.521 41.514 42.059 -0.038 0.000 0.894 418 L HN 0.269 nan 8.230 nan 0.000 0.432 419 R N -0.159 120.288 120.500 -0.088 0.000 2.189 419 R HA -0.082 4.258 4.340 -0.000 0.000 0.223 419 R C 1.953 178.181 176.300 -0.119 0.000 1.092 419 R CA 0.770 56.820 56.100 -0.084 0.000 0.989 419 R CB -0.677 29.569 30.300 -0.089 0.000 0.876 419 R HN 0.238 nan 8.270 nan 0.000 0.457 420 L N -0.477 120.624 121.223 -0.204 0.000 2.465 420 L HA -0.053 4.287 4.340 -0.000 0.000 0.224 420 L C 0.626 177.175 176.870 -0.536 0.000 1.145 420 L CA 1.540 56.154 54.840 -0.376 0.000 0.834 420 L CB -0.166 41.590 42.059 -0.504 0.000 0.944 420 L HN 0.067 nan 8.230 nan 0.000 0.451 421 Y N -1.816 118.432 120.300 -0.087 0.000 2.476 421 Y HA 0.431 4.981 4.550 -0.000 0.000 0.261 421 Y C 1.560 177.363 175.900 -0.163 0.000 1.077 421 Y CA -0.592 57.434 58.100 -0.124 0.000 1.240 421 Y CB -0.514 37.857 38.460 -0.149 0.000 1.317 421 Y HN -0.033 nan 8.280 nan 0.000 0.540 422 G N 1.628 110.436 108.800 0.014 0.000 2.101 422 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.262 422 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.262 422 G C 0.684 175.594 174.900 0.017 0.000 1.041 422 G CA 0.250 45.345 45.100 -0.007 0.000 1.002 422 G HN 0.445 nan 8.290 nan 0.000 0.403 423 H N 1.929 121.031 119.070 0.053 0.000 2.414 423 H HA -0.240 4.316 4.556 -0.000 0.000 0.290 423 H C 2.315 177.662 175.328 0.031 0.000 1.125 423 H CA 2.138 58.212 56.048 0.042 0.000 1.207 423 H CB 0.090 29.869 29.762 0.029 0.000 1.356 423 H HN 0.873 nan 8.280 nan 0.000 0.494 424 D N 0.825 121.312 120.400 0.145 0.000 2.097 424 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 424 D C 1.154 177.488 176.300 0.057 0.000 0.989 424 D CA 0.471 54.521 54.000 0.084 0.000 0.827 424 D CB -0.707 40.129 40.800 0.060 0.000 0.966 424 D HN 0.080 nan 8.370 nan 0.000 0.456 425 V N 1.754 121.692 119.914 0.041 0.000 2.484 425 V HA 0.134 4.254 4.120 -0.000 0.000 0.276 425 V C 0.280 176.392 176.094 0.031 0.000 0.976 425 V CA 0.938 63.249 62.300 0.019 0.000 1.141 425 V CB -1.375 30.442 31.823 -0.010 0.000 0.975 425 V HN 0.235 nan 8.190 nan 0.000 0.466 426 I N 0.000 120.588 120.570 0.030 0.000 2.984 426 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 426 I CA 0.000 61.321 61.300 0.034 0.000 1.566 426 I CB 0.000 38.035 38.000 0.058 0.000 1.214 426 I HN 0.000 nan 8.210 nan 0.000 0.494