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 2r5h_1_G DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.658 177.584 0.123 0.000 1.274 20 A CA 0.000 52.068 52.037 0.052 0.000 0.836 20 A CB 0.000 19.029 19.000 0.049 0.000 0.831 21 V N 1.745 121.658 119.914 -0.002 0.000 2.483 21 V HA 0.765 4.885 4.120 -0.001 0.000 0.295 21 V C 0.230 176.357 176.094 0.055 0.000 1.035 21 V CA -0.275 62.004 62.300 -0.036 0.000 0.896 21 V CB 1.316 32.785 31.823 -0.591 0.000 0.986 21 V HN 1.583 nan 8.190 nan 0.000 0.447 22 V N 0.955 121.048 119.914 0.298 0.000 3.007 22 V HA 0.734 4.853 4.120 -0.001 0.000 0.311 22 V C 0.112 176.590 176.094 0.641 0.000 1.120 22 V CA -0.807 61.742 62.300 0.416 0.000 0.980 22 V CB 1.787 33.742 31.823 0.220 0.000 1.033 22 V HN 0.901 nan 8.190 nan 0.000 0.429 23 S N 1.782 117.793 115.700 0.518 0.000 2.573 23 S HA 0.003 4.473 4.470 -0.001 0.000 0.297 23 S C 1.630 176.366 174.600 0.227 0.000 1.280 23 S CA 0.626 59.024 58.200 0.329 0.000 1.061 23 S CB 0.617 63.880 63.200 0.104 0.000 0.812 23 S HN 1.979 nan 8.310 nan 0.000 0.500 24 T N 1.537 116.168 114.554 0.129 0.000 2.897 24 T HA -0.151 4.198 4.350 -0.001 0.000 0.271 24 T C 1.131 175.577 174.700 -0.423 0.000 1.084 24 T CA 1.552 63.387 62.100 -0.441 0.000 1.123 24 T CB -0.613 68.100 68.868 -0.258 0.000 0.865 24 T HN 0.695 nan 8.240 nan 0.000 0.496 25 D N 1.473 121.781 120.400 -0.154 0.000 2.220 25 D HA -0.116 4.523 4.640 -0.001 0.000 0.198 25 D C 2.073 178.324 176.300 -0.082 0.000 1.001 25 D CA 1.228 55.169 54.000 -0.099 0.000 0.875 25 D CB -0.160 40.616 40.800 -0.040 0.000 0.921 25 D HN 0.684 nan 8.370 nan 0.000 0.454 26 E N -0.546 119.623 120.200 -0.051 0.000 2.004 26 E HA -0.146 4.203 4.350 -0.001 0.000 0.192 26 E C 2.047 178.673 176.600 0.043 0.000 0.987 26 E CA 0.844 57.265 56.400 0.035 0.000 0.822 26 E CB -0.301 29.483 29.700 0.140 0.000 0.779 26 E HN 0.523 nan 8.360 nan 0.000 0.458 27 Y N -0.448 119.893 120.300 0.069 0.000 2.529 27 Y HA 0.282 4.831 4.550 -0.001 0.000 0.290 27 Y C 0.397 176.383 175.900 0.142 0.000 1.177 27 Y CA -0.388 57.769 58.100 0.094 0.000 1.305 27 Y CB -0.011 38.511 38.460 0.103 0.000 1.047 27 Y HN -0.270 nan 8.280 nan 0.000 0.522 28 V N 1.709 121.479 119.914 -0.239 0.000 2.483 28 V HA 0.739 4.858 4.120 -0.001 0.000 0.295 28 V C 0.147 176.200 176.094 -0.069 0.000 1.035 28 V CA -1.030 61.198 62.300 -0.120 0.000 0.896 28 V CB 1.146 32.839 31.823 -0.217 0.000 0.986 28 V HN 0.386 nan 8.190 nan 0.000 0.447 29 A N 5.057 127.859 122.820 -0.031 0.000 2.312 29 A HA 0.781 5.100 4.320 -0.001 0.000 0.326 29 A C -0.053 177.487 177.584 -0.072 0.000 1.172 29 A CA -0.690 51.325 52.037 -0.036 0.000 0.821 29 A CB 0.710 19.706 19.000 -0.007 0.000 1.166 29 A HN 0.811 nan 8.150 nan 0.000 0.493 30 R N 1.389 121.844 120.500 -0.074 0.000 2.320 30 R HA 0.376 4.716 4.340 -0.001 0.000 0.319 30 R C 0.251 176.477 176.300 -0.124 0.000 0.969 30 R CA -0.125 55.914 56.100 -0.102 0.000 0.857 30 R CB 1.431 31.689 30.300 -0.070 0.000 1.160 30 R HN 0.945 nan 8.270 nan 0.000 0.491 31 T N -1.062 113.375 114.554 -0.194 0.000 2.770 31 T HA 0.125 4.474 4.350 -0.001 0.000 0.281 31 T C 0.598 175.121 174.700 -0.296 0.000 0.981 31 T CA -0.530 61.429 62.100 -0.234 0.000 0.955 31 T CB 0.847 69.495 68.868 -0.366 0.000 1.060 31 T HN 0.494 nan 8.240 nan 0.000 0.531 32 N N 0.675 119.215 118.700 -0.267 0.000 2.671 32 N HA 0.253 4.993 4.740 -0.001 0.000 0.303 32 N C -0.827 174.505 175.510 -0.297 0.000 1.351 32 N CA -0.256 52.638 53.050 -0.260 0.000 0.991 32 N CB 0.100 38.544 38.487 -0.071 0.000 1.307 32 N HN 0.486 nan 8.380 nan 0.000 0.512 33 I N 1.873 122.172 120.570 -0.452 0.000 2.354 33 I HA 0.250 4.420 4.170 -0.001 0.000 0.286 33 I C -0.806 175.210 176.117 -0.169 0.000 1.007 33 I CA -0.397 60.750 61.300 -0.256 0.000 1.167 33 I CB 0.504 38.341 38.000 -0.272 0.000 1.320 33 I HN 0.051 nan 8.210 nan 0.000 0.458 34 Y N 5.763 126.226 120.300 0.272 0.000 2.364 34 Y HA 0.487 5.036 4.550 -0.001 0.000 0.340 34 Y C -0.607 175.519 175.900 0.376 0.000 0.975 34 Y CA -0.704 57.616 58.100 0.366 0.000 1.089 34 Y CB 1.935 40.606 38.460 0.351 0.000 1.192 34 Y HN 0.350 nan 8.280 nan 0.000 0.454 35 Y N 1.918 122.563 120.300 0.574 0.000 2.446 35 Y HA 0.298 4.847 4.550 -0.001 0.000 0.345 35 Y C -0.062 175.950 175.900 0.187 0.000 0.984 35 Y CA -1.082 57.271 58.100 0.422 0.000 1.058 35 Y CB 1.302 40.052 38.460 0.484 0.000 1.220 35 Y HN 0.560 nan 8.280 nan 0.000 0.455 36 H N 2.089 121.252 119.070 0.155 0.000 2.479 36 H HA 0.867 5.422 4.556 -0.001 0.000 0.335 36 H C -1.513 173.592 175.328 -0.373 0.000 1.142 36 H CA -0.484 55.504 56.048 -0.101 0.000 1.234 36 H CB 1.574 31.317 29.762 -0.031 0.000 1.503 36 H HN 0.827 nan 8.280 nan 0.000 0.510 37 A N 2.361 124.410 122.820 -1.285 0.000 2.560 37 A HA 0.571 4.891 4.320 -0.001 0.000 0.300 37 A C -1.023 176.186 177.584 -0.625 0.000 1.062 37 A CA 0.044 51.604 52.037 -0.796 0.000 0.767 37 A CB 1.118 19.577 19.000 -0.902 0.000 1.288 37 A HN 1.064 nan 8.150 nan 0.000 0.396 38 G N 0.811 109.416 108.800 -0.326 0.000 2.433 38 G HA2 0.625 4.585 3.960 -0.001 0.000 0.306 38 G HA3 0.625 4.585 3.960 -0.001 0.000 0.306 38 G C -0.301 174.573 174.900 -0.044 0.000 1.627 38 G CA 0.381 45.428 45.100 -0.089 0.000 0.893 38 G HN 2.103 nan 8.290 nan 0.000 0.648 39 T N -0.211 114.336 114.554 -0.012 0.000 2.867 39 T HA 0.228 4.578 4.350 -0.001 0.000 0.290 39 T C 1.987 176.694 174.700 0.012 0.000 1.025 39 T CA 1.030 63.137 62.100 0.010 0.000 1.146 39 T CB 0.970 69.835 68.868 -0.005 0.000 1.024 39 T HN 1.887 nan 8.240 nan 0.000 0.519 40 S N 2.800 118.525 115.700 0.042 0.000 2.383 40 S HA -0.150 4.320 4.470 -0.001 0.000 0.229 40 S C 1.006 175.629 174.600 0.038 0.000 1.030 40 S CA 0.849 59.078 58.200 0.048 0.000 1.002 40 S CB -0.390 62.850 63.200 0.067 0.000 0.829 40 S HN 1.111 nan 8.310 nan 0.000 0.467 41 R N 0.060 120.590 120.500 0.049 0.000 3.599 41 R HA 0.203 4.543 4.340 -0.001 0.000 0.310 41 R C -1.742 174.617 176.300 0.098 0.000 1.004 41 R CA -0.342 55.788 56.100 0.049 0.000 1.105 41 R CB -0.189 30.139 30.300 0.047 0.000 1.350 41 R HN 0.341 nan 8.270 nan 0.000 0.412 42 L N 3.451 124.734 121.223 0.101 0.000 2.467 42 L HA 0.344 4.683 4.340 -0.001 0.000 0.270 42 L C -0.174 176.873 176.870 0.296 0.000 1.205 42 L CA -0.360 54.616 54.840 0.226 0.000 0.828 42 L CB 0.432 42.526 42.059 0.058 0.000 1.101 42 L HN 0.437 nan 8.230 nan 0.000 0.479 43 L N 2.062 123.535 121.223 0.418 0.000 2.422 43 L HA 0.760 5.099 4.340 -0.001 0.000 0.264 43 L C -0.783 176.293 176.870 0.344 0.000 0.984 43 L CA -0.350 54.674 54.840 0.307 0.000 0.819 43 L CB 1.936 44.100 42.059 0.175 0.000 1.330 43 L HN 0.646 nan 8.230 nan 0.000 0.410 44 A N 3.710 126.670 122.820 0.233 0.000 2.385 44 A HA 0.803 5.123 4.320 -0.001 0.000 0.290 44 A C -1.747 175.858 177.584 0.036 0.000 1.094 44 A CA -0.456 51.666 52.037 0.141 0.000 0.729 44 A CB 1.373 20.514 19.000 0.235 0.000 1.194 44 A HN 0.390 nan 8.150 nan 0.000 0.442 45 V N 2.066 121.987 119.914 0.011 0.000 2.577 45 V HA 0.904 5.024 4.120 -0.001 0.000 0.303 45 V C 0.564 176.663 176.094 0.009 0.000 1.042 45 V CA 0.419 62.723 62.300 0.006 0.000 0.872 45 V CB 1.551 33.383 31.823 0.016 0.000 0.998 45 V HN 1.504 nan 8.190 nan 0.000 0.423 46 G N 2.280 111.096 108.800 0.026 0.000 2.664 46 G HA2 0.423 4.383 3.960 -0.001 0.000 0.303 46 G HA3 0.423 4.383 3.960 -0.001 0.000 0.303 46 G C -1.750 173.202 174.900 0.087 0.000 1.243 46 G CA -0.444 44.687 45.100 0.052 0.000 0.826 46 G HN 0.657 nan 8.290 nan 0.000 0.498 47 H N 1.279 120.341 119.070 -0.014 0.000 2.489 47 H HA 0.426 4.981 4.556 -0.001 0.000 0.343 47 H C -1.760 173.520 175.328 -0.080 0.000 1.086 47 H CA -1.884 54.129 56.048 -0.058 0.000 1.198 47 H CB 3.046 32.707 29.762 -0.168 0.000 1.490 47 H HN 0.149 nan 8.280 nan 0.000 0.504 48 P HA -0.074 nan 4.420 nan 0.000 0.230 48 P C 0.005 177.035 177.300 -0.451 0.000 1.158 48 P CA 1.090 63.970 63.100 -0.367 0.000 0.769 48 P CB 0.197 31.530 31.700 -0.610 0.000 0.807 49 Y N -1.077 119.283 120.300 0.101 0.000 2.585 49 Y HA 0.290 4.839 4.550 -0.001 0.000 0.272 49 Y C 1.045 177.130 175.900 0.309 0.000 1.119 49 Y CA -0.452 57.776 58.100 0.212 0.000 1.255 49 Y CB 0.340 38.974 38.460 0.291 0.000 1.284 49 Y HN -0.182 nan 8.280 nan 0.000 0.499 50 F N -2.151 118.043 119.950 0.407 0.000 2.719 50 F HA 0.725 5.251 4.527 -0.001 0.000 0.309 50 F C -3.403 172.430 175.800 0.055 0.000 1.138 50 F CA -3.076 55.014 58.000 0.151 0.000 0.943 50 F CB 0.905 39.932 39.000 0.044 0.000 1.304 50 F HN -0.398 nan 8.300 nan 0.000 0.445 51 P HA 0.256 nan 4.420 nan 0.000 0.282 51 P C -0.567 176.830 177.300 0.162 0.000 1.262 51 P CA 0.009 63.197 63.100 0.146 0.000 0.773 51 P CB 1.264 33.030 31.700 0.110 0.000 0.879 52 I N 4.289 124.914 120.570 0.093 0.000 2.293 52 I HA 0.106 4.276 4.170 -0.001 0.000 0.299 52 I C 1.403 177.559 176.117 0.066 0.000 1.153 52 I CA 0.043 61.400 61.300 0.096 0.000 1.302 52 I CB -0.861 37.189 38.000 0.083 0.000 1.460 52 I HN 0.316 nan 8.210 nan 0.000 0.552 53 K N 3.875 124.309 120.400 0.056 0.000 2.419 53 K HA 0.610 4.929 4.320 -0.001 0.000 0.246 53 K C 0.015 176.630 176.600 0.026 0.000 1.037 53 K CA -1.212 55.094 56.287 0.031 0.000 0.982 53 K CB 0.866 33.378 32.500 0.020 0.000 1.283 53 K HN -0.006 nan 8.250 nan 0.000 0.500 54 K N 1.233 121.642 120.400 0.015 0.000 2.355 54 K HA 0.061 4.381 4.320 -0.001 0.000 0.270 54 K C -1.736 174.867 176.600 0.006 0.000 1.003 54 K CA -1.472 54.822 56.287 0.011 0.000 0.957 54 K CB 0.555 33.058 32.500 0.005 0.000 0.939 54 K HN 0.380 nan 8.250 nan 0.000 0.482 55 P HA -0.148 nan 4.420 nan 0.000 0.216 55 P C -0.199 177.096 177.300 -0.008 0.000 1.153 55 P CA 1.649 64.748 63.100 -0.002 0.000 0.848 55 P CB 0.032 31.732 31.700 0.000 0.000 0.787 56 N N 0.254 118.951 118.700 -0.005 0.000 2.240 56 N HA -0.105 4.635 4.740 -0.001 0.000 0.187 56 N C 0.902 176.407 175.510 -0.007 0.000 1.042 56 N CA 0.014 53.059 53.050 -0.007 0.000 0.861 56 N CB -1.579 36.905 38.487 -0.006 0.000 1.026 56 N HN 0.067 nan 8.380 nan 0.000 0.441 57 N N 0.935 119.632 118.700 -0.005 0.000 2.441 57 N HA -0.061 4.679 4.740 -0.001 0.000 0.251 57 N C -0.181 175.326 175.510 -0.005 0.000 1.242 57 N CA -0.224 52.822 53.050 -0.005 0.000 0.898 57 N CB 0.267 38.752 38.487 -0.004 0.000 1.100 57 N HN 0.411 nan 8.380 nan 0.000 0.443 58 N N 2.079 120.774 118.700 -0.007 0.000 2.378 58 N HA -0.009 4.730 4.740 -0.001 0.000 0.243 58 N C -0.659 174.847 175.510 -0.007 0.000 1.137 58 N CA -0.178 52.868 53.050 -0.007 0.000 0.862 58 N CB 0.238 38.719 38.487 -0.011 0.000 1.116 58 N HN 0.455 nan 8.380 nan 0.000 0.499 59 K N 2.264 122.661 120.400 -0.005 0.000 2.211 59 K HA 0.226 4.546 4.320 -0.001 0.000 0.275 59 K C 0.299 176.899 176.600 -0.000 0.000 1.024 59 K CA -0.639 55.644 56.287 -0.007 0.000 0.887 59 K CB 1.226 33.721 32.500 -0.009 0.000 1.084 59 K HN 0.256 nan 8.250 nan 0.000 0.463 60 I N 3.964 124.532 120.570 -0.003 0.000 2.483 60 I HA -0.029 4.141 4.170 -0.001 0.000 0.291 60 I C 1.071 177.190 176.117 0.003 0.000 1.112 60 I CA -0.444 60.859 61.300 0.005 0.000 1.350 60 I CB 0.347 38.349 38.000 0.002 0.000 1.419 60 I HN 0.550 nan 8.210 nan 0.000 0.523 61 L N 7.767 128.998 121.223 0.013 0.000 2.141 61 L HA 0.185 4.524 4.340 -0.001 0.000 0.209 61 L C 0.510 177.386 176.870 0.009 0.000 1.094 61 L CA 1.530 56.376 54.840 0.010 0.000 0.763 61 L CB 0.040 42.110 42.059 0.019 0.000 0.908 61 L HN 0.571 nan 8.230 nan 0.000 0.437 62 V N 0.249 120.176 119.914 0.021 0.000 3.007 62 V HA 0.579 4.698 4.120 -0.001 0.000 0.311 62 V C -2.549 173.561 176.094 0.027 0.000 1.120 62 V CA -1.088 61.227 62.300 0.025 0.000 0.980 62 V CB 2.205 34.056 31.823 0.046 0.000 1.033 62 V HN 0.077 nan 8.190 nan 0.000 0.429 63 P HA 0.420 nan 4.420 nan 0.000 0.292 63 P C -1.610 175.713 177.300 0.039 0.000 1.313 63 P CA -1.160 61.950 63.100 0.016 0.000 0.965 63 P CB 1.574 33.258 31.700 -0.026 0.000 1.303 64 K N 0.860 121.287 120.400 0.044 0.000 2.363 64 K HA 0.269 4.589 4.320 -0.001 0.000 0.289 64 K C -0.902 175.719 176.600 0.036 0.000 1.063 64 K CA -0.103 56.223 56.287 0.066 0.000 0.967 64 K CB -0.202 32.347 32.500 0.081 0.000 0.987 64 K HN 0.185 nan 8.250 nan 0.000 0.473 65 V N 4.569 124.507 119.914 0.040 0.000 2.260 65 V HA 0.072 4.191 4.120 -0.001 0.000 0.263 65 V C -0.069 176.045 176.094 0.034 0.000 1.036 65 V CA -0.502 61.805 62.300 0.011 0.000 0.874 65 V CB 0.622 32.438 31.823 -0.012 0.000 1.116 65 V HN 0.803 nan 8.190 nan 0.000 0.454 66 S N 2.419 118.164 115.700 0.074 0.000 2.704 66 S HA 0.672 5.142 4.470 -0.001 0.000 0.305 66 S C 0.947 175.633 174.600 0.144 0.000 1.107 66 S CA 0.075 58.406 58.200 0.219 0.000 0.993 66 S CB 2.022 65.267 63.200 0.075 0.000 1.110 66 S HN 0.646 nan 8.310 nan 0.000 0.534 67 G N 0.389 109.355 108.800 0.277 0.000 3.424 67 G HA2 0.404 4.363 3.960 -0.001 0.000 0.263 67 G HA3 0.404 4.363 3.960 -0.001 0.000 0.263 67 G C 0.054 174.993 174.900 0.064 0.000 1.310 67 G CA -0.216 44.980 45.100 0.161 0.000 1.089 67 G HN 0.630 nan 8.290 nan 0.000 0.534 68 L N -0.260 120.981 121.223 0.030 0.000 3.366 68 L HA 0.303 4.642 4.340 -0.001 0.000 0.304 68 L C 0.106 176.962 176.870 -0.024 0.000 1.292 68 L CA -0.106 54.713 54.840 -0.035 0.000 1.012 68 L CB 0.514 42.516 42.059 -0.096 0.000 1.414 68 L HN 0.174 nan 8.230 nan 0.000 0.603 69 Q N -0.543 119.263 119.800 0.011 0.000 2.333 69 Q HA 0.392 4.731 4.340 -0.001 0.000 0.267 69 Q C -1.272 174.766 176.000 0.063 0.000 1.012 69 Q CA -0.965 54.879 55.803 0.068 0.000 0.824 69 Q CB 1.818 30.596 28.738 0.067 0.000 1.290 69 Q HN 0.006 nan 8.270 nan 0.000 0.449 70 Y N 1.759 122.074 120.300 0.025 0.000 2.677 70 Y HA -0.021 4.529 4.550 -0.001 0.000 0.335 70 Y C 0.583 176.497 175.900 0.024 0.000 1.162 70 Y CA 0.197 58.320 58.100 0.037 0.000 1.483 70 Y CB 0.394 38.861 38.460 0.012 0.000 1.209 70 Y HN 0.255 nan 8.280 nan 0.000 0.528 71 R N 3.900 124.480 120.500 0.133 0.000 2.608 71 R HA 0.174 4.513 4.340 -0.001 0.000 0.277 71 R C -1.117 175.171 176.300 -0.019 0.000 1.341 71 R CA -0.337 55.751 56.100 -0.020 0.000 1.199 71 R CB -0.179 30.108 30.300 -0.023 0.000 1.156 71 R HN 0.357 nan 8.270 nan 0.000 0.558 72 V N 5.555 125.446 119.914 -0.038 0.000 2.322 72 V HA 0.186 4.305 4.120 -0.001 0.000 0.258 72 V C 0.399 176.439 176.094 -0.091 0.000 1.074 72 V CA -0.449 61.862 62.300 0.018 0.000 0.909 72 V CB -0.488 31.352 31.823 0.029 0.000 1.090 72 V HN 0.309 nan 8.190 nan 0.000 0.486 73 F N 3.463 123.424 119.950 0.020 0.000 2.418 73 F HA 0.486 5.012 4.527 -0.001 0.000 0.341 73 F C 0.866 176.768 175.800 0.170 0.000 1.120 73 F CA -0.343 57.690 58.000 0.055 0.000 1.232 73 F CB 0.605 39.548 39.000 -0.095 0.000 1.175 73 F HN 0.331 nan 8.300 nan 0.000 0.569 74 R N 3.459 124.174 120.500 0.358 0.000 2.358 74 R HA 0.528 4.868 4.340 -0.001 0.000 0.309 74 R C -1.616 174.660 176.300 -0.040 0.000 1.026 74 R CA -0.678 55.651 56.100 0.381 0.000 0.909 74 R CB 0.387 30.978 30.300 0.485 0.000 1.153 74 R HN 0.596 nan 8.270 nan 0.000 0.515 75 I N 4.375 124.866 120.570 -0.131 0.000 2.371 75 I HA 0.172 4.341 4.170 -0.001 0.000 0.290 75 I C 0.112 175.981 176.117 -0.413 0.000 1.028 75 I CA -0.246 60.892 61.300 -0.269 0.000 1.345 75 I CB 0.925 38.728 38.000 -0.329 0.000 1.407 75 I HN 0.392 nan 8.210 nan 0.000 0.501 76 H N 7.584 126.589 119.070 -0.109 0.000 2.690 76 H HA 0.443 4.998 4.556 -0.001 0.000 0.280 76 H C -0.622 174.583 175.328 -0.205 0.000 1.138 76 H CA -0.506 55.469 56.048 -0.121 0.000 1.241 76 H CB 0.539 30.273 29.762 -0.046 0.000 1.394 76 H HN 0.390 nan 8.280 nan 0.000 0.489 77 L N 5.128 126.231 121.223 -0.199 0.000 2.307 77 L HA 0.388 4.727 4.340 -0.001 0.000 0.282 77 L C -2.025 174.584 176.870 -0.435 0.000 1.051 77 L CA -2.163 52.399 54.840 -0.463 0.000 0.804 77 L CB 1.086 42.725 42.059 -0.699 0.000 1.197 77 L HN 0.298 nan 8.230 nan 0.000 0.431 78 P HA -0.018 nan 4.420 nan 0.000 0.268 78 P C -0.922 176.269 177.300 -0.182 0.000 1.205 78 P CA -0.230 62.607 63.100 -0.438 0.000 0.771 78 P CB 0.768 32.095 31.700 -0.622 0.000 0.858 79 D N 4.356 124.759 120.400 0.005 0.000 2.401 79 D HA 0.022 4.661 4.640 -0.001 0.000 0.254 79 D C -1.066 175.365 176.300 0.219 0.000 1.192 79 D CA -1.861 52.223 54.000 0.139 0.000 0.885 79 D CB 0.500 41.374 40.800 0.123 0.000 1.147 79 D HN 0.186 nan 8.370 nan 0.000 0.478 80 P HA -0.159 nan 4.420 nan 0.000 0.216 80 P C 0.548 178.020 177.300 0.286 0.000 1.153 80 P CA 0.766 64.017 63.100 0.251 0.000 0.848 80 P CB 0.131 31.698 31.700 -0.222 0.000 0.787 81 N N 0.163 118.967 118.700 0.174 0.000 2.731 81 N HA -0.136 4.603 4.740 -0.001 0.000 0.199 81 N C 1.048 176.671 175.510 0.188 0.000 1.206 81 N CA 1.006 54.149 53.050 0.156 0.000 0.955 81 N CB -0.221 38.372 38.487 0.176 0.000 0.997 81 N HN 0.444 nan 8.380 nan 0.000 0.449 82 K N -1.798 118.714 120.400 0.187 0.000 2.473 82 K HA 0.033 4.352 4.320 -0.001 0.000 0.183 82 K C -0.195 176.444 176.600 0.065 0.000 1.854 82 K CA -0.387 55.973 56.287 0.122 0.000 1.084 82 K CB 0.333 32.892 32.500 0.098 0.000 1.684 82 K HN -0.029 nan 8.250 nan 0.000 0.565 83 F N 2.656 122.536 119.950 -0.116 0.000 2.553 83 F HA 0.232 4.758 4.527 -0.001 0.000 0.356 83 F C 1.012 176.582 175.800 -0.383 0.000 1.142 83 F CA 0.048 57.828 58.000 -0.367 0.000 1.322 83 F CB 0.671 39.281 39.000 -0.650 0.000 1.126 83 F HN 0.048 nan 8.300 nan 0.000 0.599 84 G N 6.626 114.585 108.800 -1.402 0.000 2.778 84 G HA2 0.142 4.101 3.960 -0.001 0.000 0.287 84 G HA3 0.142 4.101 3.960 -0.001 0.000 0.287 84 G C -0.730 173.570 174.900 -1.001 0.000 0.747 84 G CA -0.453 44.075 45.100 -0.953 0.000 1.961 84 G HN 0.512 nan 8.290 nan 0.000 0.539 85 F N 2.482 122.228 119.950 -0.339 0.000 2.427 85 F HA 0.250 4.776 4.527 -0.001 0.000 0.352 85 F C -0.574 175.261 175.800 0.058 0.000 1.100 85 F CA -2.085 55.910 58.000 -0.010 0.000 1.191 85 F CB 2.028 41.191 39.000 0.272 0.000 1.128 85 F HN 0.307 nan 8.300 nan 0.000 0.533 86 P HA -0.001 nan 4.420 nan 0.000 0.252 86 P C -0.931 176.503 177.300 0.223 0.000 1.265 86 P CA 0.753 63.981 63.100 0.212 0.000 0.775 86 P CB 0.011 31.831 31.700 0.200 0.000 1.128 87 D N -1.420 119.162 120.400 0.303 0.000 2.648 87 D HA 0.265 4.905 4.640 -0.001 0.000 0.244 87 D C -0.241 176.154 176.300 0.158 0.000 1.244 87 D CA -0.387 53.744 54.000 0.220 0.000 0.772 87 D CB 0.716 41.675 40.800 0.265 0.000 1.379 87 D HN -0.169 nan 8.370 nan 0.000 0.428 88 T N -1.524 112.948 114.554 -0.137 0.000 3.488 88 T HA 0.171 4.521 4.350 -0.001 0.000 0.312 88 T C 1.142 175.473 174.700 -0.615 0.000 0.931 88 T CA 0.428 62.239 62.100 -0.481 0.000 0.982 88 T CB -0.503 68.252 68.868 -0.188 0.000 1.198 88 T HN 0.285 nan 8.240 nan 0.000 0.545 89 S N 1.864 117.318 115.700 -0.410 0.000 2.414 89 S HA -0.028 4.441 4.470 -0.001 0.000 0.227 89 S C 1.781 176.231 174.600 -0.250 0.000 1.022 89 S CA 0.581 58.615 58.200 -0.277 0.000 0.958 89 S CB -1.170 61.971 63.200 -0.099 0.000 0.797 89 S HN 0.629 nan 8.310 nan 0.000 0.493 90 F N 2.085 122.034 119.950 -0.002 0.000 2.449 90 F HA 0.175 4.701 4.527 -0.001 0.000 0.299 90 F C 0.624 176.465 175.800 0.070 0.000 1.092 90 F CA -0.629 57.373 58.000 0.002 0.000 1.446 90 F CB -1.373 37.603 39.000 -0.041 0.000 1.084 90 F HN 0.465 nan 8.300 nan 0.000 0.567 91 Y N -0.330 119.709 120.300 -0.436 0.000 2.571 91 Y HA 0.517 5.066 4.550 -0.001 0.000 0.341 91 Y C -1.333 174.418 175.900 -0.248 0.000 1.076 91 Y CA -2.280 55.694 58.100 -0.210 0.000 1.029 91 Y CB 0.749 39.170 38.460 -0.064 0.000 1.308 91 Y HN -0.088 nan 8.280 nan 0.000 0.461 92 N N 5.151 123.601 118.700 -0.417 0.000 2.437 92 N HA 0.372 5.112 4.740 -0.001 0.000 0.243 92 N C -2.113 173.039 175.510 -0.598 0.000 1.041 92 N CA -2.565 50.162 53.050 -0.538 0.000 0.940 92 N CB 1.277 39.629 38.487 -0.225 0.000 1.133 92 N HN 0.477 nan 8.380 nan 0.000 0.506 93 P HA -0.059 nan 4.420 nan 0.000 0.240 93 P C -0.499 176.721 177.300 -0.133 0.000 1.186 93 P CA 0.870 63.733 63.100 -0.395 0.000 0.755 93 P CB 0.467 31.939 31.700 -0.380 0.000 0.870 94 D N -1.085 119.231 120.400 -0.140 0.000 2.597 94 D HA -0.015 4.624 4.640 -0.001 0.000 0.261 94 D C 1.878 178.144 176.300 -0.057 0.000 1.023 94 D CA 1.547 55.497 54.000 -0.085 0.000 0.927 94 D CB -0.075 40.670 40.800 -0.091 0.000 1.168 94 D HN 0.247 nan 8.370 nan 0.000 0.491 95 T N -1.379 113.142 114.554 -0.055 0.000 3.056 95 T HA 0.077 4.427 4.350 -0.001 0.000 0.243 95 T C 1.033 175.711 174.700 -0.036 0.000 0.995 95 T CA -0.249 61.828 62.100 -0.038 0.000 1.091 95 T CB 0.166 69.017 68.868 -0.028 0.000 0.990 95 T HN 0.104 nan 8.240 nan 0.000 0.464 96 Q N 0.932 120.733 119.800 0.001 0.000 2.222 96 Q HA 0.587 4.926 4.340 -0.001 0.000 0.252 96 Q C -0.881 175.140 176.000 0.036 0.000 0.926 96 Q CA -1.057 54.760 55.803 0.022 0.000 0.899 96 Q CB 1.638 30.427 28.738 0.086 0.000 1.250 96 Q HN 0.078 nan 8.270 nan 0.000 0.441 97 R N 2.364 122.745 120.500 -0.198 0.000 2.494 97 R HA 0.431 4.771 4.340 -0.001 0.000 0.305 97 R C -0.556 175.552 176.300 -0.320 0.000 0.959 97 R CA -0.804 55.064 56.100 -0.386 0.000 0.864 97 R CB 1.472 31.173 30.300 -0.999 0.000 1.159 97 R HN 0.688 nan 8.270 nan 0.000 0.446 98 L N 3.150 124.145 121.223 -0.380 0.000 2.455 98 L HA 0.263 4.602 4.340 -0.001 0.000 0.272 98 L C 0.013 176.885 176.870 0.002 0.000 1.174 98 L CA -0.171 54.497 54.840 -0.286 0.000 0.869 98 L CB 0.449 42.254 42.059 -0.424 0.000 1.130 98 L HN 0.160 nan 8.230 nan 0.000 0.474 99 V N 1.558 121.451 119.914 -0.036 0.000 2.789 99 V HA 0.360 4.479 4.120 -0.001 0.000 0.311 99 V C -0.576 175.401 176.094 -0.196 0.000 1.073 99 V CA -0.814 61.529 62.300 0.072 0.000 0.921 99 V CB 1.971 33.911 31.823 0.194 0.000 1.009 99 V HN 0.611 nan 8.190 nan 0.000 0.426 100 W N 1.895 123.196 121.300 0.002 0.000 2.161 100 W HA 0.665 5.324 4.660 -0.001 0.000 0.344 100 W C 0.321 176.837 176.519 -0.006 0.000 1.262 100 W CA 0.120 57.461 57.345 -0.007 0.000 1.270 100 W CB 1.052 30.455 29.460 -0.094 0.000 1.126 100 W HN 0.710 nan 8.180 nan 0.000 0.598 101 A N 1.726 124.774 122.820 0.380 0.000 2.422 101 A HA 0.589 4.909 4.320 -0.001 0.000 0.302 101 A C -1.593 176.186 177.584 0.324 0.000 1.041 101 A CA -0.667 51.492 52.037 0.203 0.000 0.708 101 A CB 0.995 20.025 19.000 0.050 0.000 1.257 101 A HN 0.667 nan 8.150 nan 0.000 0.414 102 C N 2.279 121.664 119.300 0.142 0.000 2.350 102 C HA 0.675 5.134 4.460 -0.001 0.000 0.348 102 C C 1.402 176.289 174.990 -0.170 0.000 1.260 102 C CA 0.470 59.471 59.018 -0.028 0.000 1.966 102 C CB 0.479 28.243 27.740 0.039 0.000 2.380 102 C HN 1.150 nan 8.230 nan 0.000 0.535 103 V N 2.493 122.255 119.914 -0.254 0.000 3.245 103 V HA 0.471 4.590 4.120 -0.001 0.000 0.246 103 V C 0.746 176.726 176.094 -0.189 0.000 1.487 103 V CA 0.670 62.839 62.300 -0.219 0.000 1.154 103 V CB -0.565 31.110 31.823 -0.248 0.000 0.971 103 V HN 0.886 nan 8.190 nan 0.000 0.443 104 G N 0.969 109.563 108.800 -0.344 0.000 2.660 104 G HA2 0.632 4.592 3.960 -0.001 0.000 0.305 104 G HA3 0.632 4.592 3.960 -0.001 0.000 0.305 104 G C -1.294 173.307 174.900 -0.499 0.000 1.329 104 G CA -0.321 44.591 45.100 -0.313 0.000 1.000 104 G HN 0.271 nan 8.290 nan 0.000 0.514 105 V N 1.793 121.352 119.914 -0.592 0.000 2.760 105 V HA 0.583 4.702 4.120 -0.001 0.000 0.309 105 V C -0.628 174.924 176.094 -0.903 0.000 1.077 105 V CA -0.816 61.049 62.300 -0.725 0.000 0.910 105 V CB 2.263 33.818 31.823 -0.447 0.000 1.008 105 V HN 0.799 nan 8.190 nan 0.000 0.424 106 E N 3.240 122.881 120.200 -0.932 0.000 2.409 106 E HA 0.425 4.774 4.350 -0.001 0.000 0.259 106 E C -1.628 174.566 176.600 -0.676 0.000 0.932 106 E CA -0.402 55.459 56.400 -0.898 0.000 0.809 106 E CB 1.914 31.228 29.700 -0.642 0.000 1.341 106 E HN 0.488 nan 8.360 nan 0.000 0.405 107 V N 3.639 123.233 119.914 -0.533 0.000 2.387 107 V HA 0.335 4.454 4.120 -0.001 0.000 0.260 107 V C 0.773 176.814 176.094 -0.088 0.000 1.054 107 V CA 0.025 62.211 62.300 -0.190 0.000 0.967 107 V CB 0.912 32.849 31.823 0.191 0.000 1.036 107 V HN 0.668 nan 8.190 nan 0.000 0.481 108 G N 5.910 114.609 108.800 -0.168 0.000 2.356 108 G HA2 0.472 4.432 3.960 -0.001 0.000 0.312 108 G HA3 0.472 4.432 3.960 -0.001 0.000 0.312 108 G C -0.124 174.680 174.900 -0.161 0.000 1.096 108 G CA -0.661 44.359 45.100 -0.133 0.000 0.950 108 G HN 0.455 nan 8.290 nan 0.000 0.428 109 R N 1.962 122.367 120.500 -0.158 0.000 2.294 109 R HA 0.397 4.736 4.340 -0.001 0.000 0.319 109 R C 0.544 176.740 176.300 -0.172 0.000 0.984 109 R CA -0.613 55.326 56.100 -0.267 0.000 0.861 109 R CB 1.957 32.086 30.300 -0.285 0.000 1.104 109 R HN 0.528 nan 8.270 nan 0.000 0.451 110 G N 2.668 111.353 108.800 -0.192 0.000 4.637 110 G HA2 0.155 4.115 3.960 -0.001 0.000 0.308 110 G HA3 0.155 4.115 3.960 -0.001 0.000 0.308 110 G C -0.267 174.575 174.900 -0.096 0.000 1.377 110 G CA -0.136 44.896 45.100 -0.115 0.000 1.176 110 G HN 0.240 nan 8.290 nan 0.000 0.601 111 Q N 1.052 120.796 119.800 -0.094 0.000 2.284 111 Q HA 0.302 4.642 4.340 -0.001 0.000 0.269 111 Q C -2.730 173.249 176.000 -0.036 0.000 1.026 111 Q CA -1.754 54.014 55.803 -0.058 0.000 0.831 111 Q CB 3.186 31.877 28.738 -0.078 0.000 1.322 111 Q HN 0.185 nan 8.270 nan 0.000 0.419 112 P HA -0.078 nan 4.420 nan 0.000 0.261 112 P C -0.346 176.957 177.300 0.005 0.000 1.165 112 P CA -0.157 62.941 63.100 -0.003 0.000 0.759 112 P CB 0.558 32.260 31.700 0.003 0.000 0.772 113 L N 3.238 124.466 121.223 0.008 0.000 2.490 113 L HA 0.454 4.794 4.340 -0.001 0.000 0.274 113 L C 1.430 178.311 176.870 0.019 0.000 1.201 113 L CA 1.625 56.475 54.840 0.017 0.000 0.869 113 L CB -0.273 41.799 42.059 0.021 0.000 1.123 113 L HN 0.778 nan 8.230 nan 0.000 0.484 114 G N 1.525 110.339 108.800 0.024 0.000 2.489 114 G HA2 0.589 4.548 3.960 -0.001 0.000 0.305 114 G HA3 0.589 4.548 3.960 -0.001 0.000 0.305 114 G C -1.621 173.289 174.900 0.018 0.000 1.311 114 G CA -0.042 45.069 45.100 0.018 0.000 0.813 114 G HN 0.648 nan 8.290 nan 0.000 0.480 115 V N -2.017 117.902 119.914 0.009 0.000 2.769 115 V HA 0.977 5.096 4.120 -0.001 0.000 0.312 115 V C 0.382 176.463 176.094 -0.021 0.000 1.061 115 V CA -0.181 62.124 62.300 0.009 0.000 0.931 115 V CB 1.487 33.322 31.823 0.019 0.000 1.010 115 V HN 1.647 nan 8.190 nan 0.000 0.433 116 G N 2.863 111.650 108.800 -0.021 0.000 2.379 116 G HA2 0.668 4.628 3.960 -0.001 0.000 0.327 116 G HA3 0.668 4.628 3.960 -0.001 0.000 0.327 116 G C -0.995 173.892 174.900 -0.021 0.000 1.145 116 G CA -0.752 44.303 45.100 -0.075 0.000 0.905 116 G HN 0.962 nan 8.290 nan 0.000 0.466 117 I N 1.474 122.030 120.570 -0.024 0.000 2.392 117 I HA 0.503 4.673 4.170 -0.001 0.000 0.295 117 I C -0.195 175.983 176.117 0.102 0.000 0.985 117 I CA -0.413 60.896 61.300 0.016 0.000 1.221 117 I CB 1.691 39.709 38.000 0.030 0.000 1.366 117 I HN 0.383 nan 8.210 nan 0.000 0.467 118 S N 4.049 119.806 115.700 0.095 0.000 2.607 118 S HA 0.914 5.384 4.470 -0.001 0.000 0.303 118 S C -0.171 174.579 174.600 0.249 0.000 1.086 118 S CA -0.575 57.887 58.200 0.437 0.000 0.995 118 S CB 1.978 65.450 63.200 0.453 0.000 1.084 118 S HN 0.877 nan 8.310 nan 0.000 0.507 119 G N 0.343 109.320 108.800 0.295 0.000 2.687 119 G HA2 0.574 4.534 3.960 -0.001 0.000 0.291 119 G HA3 0.574 4.534 3.960 -0.001 0.000 0.291 119 G C -2.157 172.841 174.900 0.163 0.000 1.420 119 G CA -0.395 44.795 45.100 0.150 0.000 0.796 119 G HN 0.599 nan 8.290 nan 0.000 0.485 120 H N 0.020 119.117 119.070 0.046 0.000 2.759 120 H HA 0.465 5.020 4.556 -0.001 0.000 0.354 120 H C -2.090 173.228 175.328 -0.017 0.000 1.074 120 H CA -1.909 54.147 56.048 0.013 0.000 1.226 120 H CB 3.005 32.777 29.762 0.016 0.000 1.648 120 H HN 0.119 nan 8.280 nan 0.000 0.529 121 P HA 0.001 nan 4.420 nan 0.000 0.221 121 P C 0.077 177.489 177.300 0.186 0.000 1.150 121 P CA 1.007 64.216 63.100 0.182 0.000 0.800 121 P CB 0.370 32.116 31.700 0.078 0.000 0.787 122 L N -0.812 120.581 121.223 0.284 0.000 2.679 122 L HA 0.345 4.685 4.340 -0.001 0.000 0.238 122 L C -0.309 176.257 176.870 -0.507 0.000 1.330 122 L CA -0.900 53.846 54.840 -0.155 0.000 0.935 122 L CB 0.459 42.453 42.059 -0.108 0.000 1.243 122 L HN -0.136 nan 8.230 nan 0.000 0.484 123 L N 0.967 121.979 121.223 -0.351 0.000 2.312 123 L HA 0.391 4.731 4.340 -0.001 0.000 0.281 123 L C 0.706 177.422 176.870 -0.257 0.000 1.070 123 L CA 0.123 54.739 54.840 -0.374 0.000 0.805 123 L CB 0.965 42.967 42.059 -0.095 0.000 1.174 123 L HN 0.286 nan 8.230 nan 0.000 0.434 124 N N 4.454 122.978 118.700 -0.292 0.000 2.950 124 N HA -0.032 4.707 4.740 -0.001 0.000 0.313 124 N C -0.721 174.726 175.510 -0.105 0.000 1.213 124 N CA 0.287 53.202 53.050 -0.225 0.000 1.184 124 N CB -0.414 37.910 38.487 -0.271 0.000 1.454 124 N HN 0.534 nan 8.380 nan 0.000 0.532 125 K N 2.281 122.635 120.400 -0.076 0.000 2.207 125 K HA 0.167 4.487 4.320 -0.001 0.000 0.255 125 K C 0.336 176.881 176.600 -0.093 0.000 0.941 125 K CA -0.603 55.680 56.287 -0.007 0.000 0.825 125 K CB 1.711 34.065 32.500 -0.243 0.000 1.119 125 K HN 0.228 nan 8.250 nan 0.000 0.430 126 L N 2.518 123.707 121.223 -0.056 0.000 2.208 126 L HA 0.190 4.529 4.340 -0.001 0.000 0.196 126 L C -0.334 176.461 176.870 -0.126 0.000 1.130 126 L CA 1.562 56.355 54.840 -0.079 0.000 0.791 126 L CB -0.073 41.961 42.059 -0.041 0.000 0.969 126 L HN 0.905 nan 8.230 nan 0.000 0.468 127 D N -2.313 118.022 120.400 -0.110 0.000 2.615 127 D HA 0.235 4.875 4.640 -0.001 0.000 0.267 127 D C -1.534 174.744 176.300 -0.037 0.000 1.236 127 D CA -0.620 53.317 54.000 -0.106 0.000 0.839 127 D CB 0.299 41.064 40.800 -0.058 0.000 1.380 127 D HN 0.062 nan 8.370 nan 0.000 0.433 128 D N -1.090 119.311 120.400 0.002 0.000 2.343 128 D HA 0.293 4.933 4.640 -0.001 0.000 0.255 128 D C 0.758 177.127 176.300 0.115 0.000 1.187 128 D CA -0.121 53.968 54.000 0.149 0.000 0.875 128 D CB 0.962 41.847 40.800 0.142 0.000 1.136 128 D HN 0.385 nan 8.370 nan 0.000 0.469 129 T N 0.573 115.218 114.554 0.152 0.000 3.086 129 T HA 0.016 4.366 4.350 -0.001 0.000 0.250 129 T C 1.426 176.156 174.700 0.050 0.000 1.074 129 T CA -0.199 61.966 62.100 0.108 0.000 0.988 129 T CB 0.027 69.017 68.868 0.203 0.000 0.988 129 T HN 0.558 nan 8.240 nan 0.000 0.530 130 E N 1.913 122.146 120.200 0.055 0.000 2.204 130 E HA -0.098 4.251 4.350 -0.001 0.000 0.194 130 E C 0.261 176.864 176.600 0.006 0.000 0.989 130 E CA 0.546 56.955 56.400 0.015 0.000 0.824 130 E CB 0.192 29.909 29.700 0.029 0.000 0.756 130 E HN 0.494 nan 8.360 nan 0.000 0.477 131 N N -1.138 117.573 118.700 0.018 0.000 3.270 131 N HA 0.213 4.953 4.740 -0.001 0.000 0.227 131 N C -1.949 173.564 175.510 0.005 0.000 1.071 131 N CA 0.120 53.172 53.050 0.003 0.000 1.073 131 N CB 1.223 39.714 38.487 0.007 0.000 1.633 131 N HN 0.092 nan 8.380 nan 0.000 0.664 132 A N 1.423 124.235 122.820 -0.013 0.000 2.330 132 A HA 0.695 5.014 4.320 -0.001 0.000 0.329 132 A C 0.718 178.294 177.584 -0.014 0.000 1.135 132 A CA 0.027 52.052 52.037 -0.020 0.000 0.817 132 A CB 0.997 19.962 19.000 -0.057 0.000 1.269 132 A HN 0.953 nan 8.150 nan 0.000 0.469 133 S N -0.611 115.085 115.700 -0.007 0.000 2.523 133 S HA 0.601 5.071 4.470 -0.001 0.000 0.217 133 S C 0.384 174.990 174.600 0.010 0.000 0.996 133 S CA 0.559 58.761 58.200 0.002 0.000 0.921 133 S CB -0.008 63.196 63.200 0.006 0.000 0.829 133 S HN 2.310 nan 8.310 nan 0.000 0.495 134 A N 0.182 123.007 122.820 0.009 0.000 2.549 134 A HA 0.484 4.803 4.320 -0.001 0.000 0.297 134 A C -1.487 176.126 177.584 0.049 0.000 0.983 134 A CA -0.934 51.127 52.037 0.041 0.000 0.654 134 A CB -0.347 18.682 19.000 0.048 0.000 1.319 134 A HN 0.298 nan 8.150 nan 0.000 0.428 135 Y N 1.635 121.938 120.300 0.005 0.000 2.721 135 Y HA 0.325 4.874 4.550 -0.001 0.000 0.329 135 Y C 1.117 177.015 175.900 -0.003 0.000 1.211 135 Y CA 1.183 59.284 58.100 0.002 0.000 1.512 135 Y CB 0.509 38.969 38.460 0.000 0.000 1.249 135 Y HN 1.099 nan 8.280 nan 0.000 0.549 136 A N 4.685 127.632 122.820 0.211 0.000 2.406 136 A HA 0.544 4.864 4.320 -0.001 0.000 0.243 136 A C -0.194 177.485 177.584 0.159 0.000 1.082 136 A CA -0.109 52.009 52.037 0.135 0.000 0.786 136 A CB -0.112 18.923 19.000 0.057 0.000 1.029 136 A HN 0.929 nan 8.150 nan 0.000 0.495 137 A N 2.308 125.172 122.820 0.073 0.000 2.328 137 A HA 0.506 4.825 4.320 -0.001 0.000 0.284 137 A C 0.393 177.997 177.584 0.033 0.000 1.160 137 A CA -0.650 51.415 52.037 0.047 0.000 0.818 137 A CB -0.312 18.701 19.000 0.022 0.000 1.087 137 A HN 0.917 nan 8.150 nan 0.000 0.504 138 N N 0.416 119.128 118.700 0.021 0.000 2.187 138 N HA 0.177 4.916 4.740 -0.001 0.000 0.236 138 N C 0.134 175.641 175.510 -0.004 0.000 1.244 138 N CA 1.421 54.475 53.050 0.007 0.000 0.850 138 N CB 0.230 38.712 38.487 -0.008 0.000 1.090 138 N HN 0.826 nan 8.380 nan 0.000 0.450 139 A N 0.856 123.669 122.820 -0.011 0.000 2.294 139 A HA 0.576 4.895 4.320 -0.001 0.000 0.316 139 A C 1.318 178.888 177.584 -0.024 0.000 1.359 139 A CA -0.225 51.800 52.037 -0.021 0.000 0.956 139 A CB -0.261 18.723 19.000 -0.027 0.000 1.155 139 A HN 0.672 nan 8.150 nan 0.000 0.544 140 G N 1.352 110.137 108.800 -0.024 0.000 2.056 140 G HA2 0.119 4.078 3.960 -0.001 0.000 0.212 140 G HA3 0.119 4.078 3.960 -0.001 0.000 0.212 140 G C 0.278 175.161 174.900 -0.029 0.000 1.341 140 G CA 1.290 46.375 45.100 -0.025 0.000 1.022 140 G HN 1.076 nan 8.290 nan 0.000 0.460 141 V N 0.085 119.980 119.914 -0.031 0.000 2.841 141 V HA 0.470 4.590 4.120 -0.001 0.000 0.310 141 V C -0.565 175.504 176.094 -0.041 0.000 1.090 141 V CA 0.078 62.357 62.300 -0.035 0.000 0.930 141 V CB 1.789 33.593 31.823 -0.031 0.000 1.014 141 V HN 0.855 nan 8.190 nan 0.000 0.425 142 D N 3.068 123.438 120.400 -0.049 0.000 3.133 142 D HA -0.166 4.474 4.640 -0.001 0.000 0.239 142 D C 0.508 176.772 176.300 -0.060 0.000 1.136 142 D CA 0.754 54.719 54.000 -0.058 0.000 0.898 142 D CB -0.564 40.206 40.800 -0.050 0.000 0.959 142 D HN 0.772 nan 8.370 nan 0.000 0.415 143 N N 0.765 119.424 118.700 -0.067 0.000 2.299 143 N HA 0.063 4.803 4.740 -0.001 0.000 0.187 143 N C 0.098 175.554 175.510 -0.089 0.000 1.099 143 N CA -0.245 52.763 53.050 -0.071 0.000 0.867 143 N CB 0.300 38.745 38.487 -0.069 0.000 0.974 143 N HN 0.321 nan 8.380 nan 0.000 0.477 144 R N 1.659 122.099 120.500 -0.100 0.000 2.448 144 R HA -0.143 4.197 4.340 -0.001 0.000 0.272 144 R C -0.143 176.093 176.300 -0.107 0.000 0.935 144 R CA 0.972 56.999 56.100 -0.122 0.000 1.084 144 R CB -0.126 30.094 30.300 -0.133 0.000 0.840 144 R HN 0.384 nan 8.270 nan 0.000 0.432 145 E N 0.587 120.717 120.200 -0.116 0.000 2.445 145 E HA 0.159 4.508 4.350 -0.001 0.000 0.279 145 E C -1.234 175.327 176.600 -0.065 0.000 1.018 145 E CA -0.913 55.432 56.400 -0.092 0.000 0.816 145 E CB 1.631 31.258 29.700 -0.122 0.000 1.356 145 E HN 0.499 nan 8.360 nan 0.000 0.462 146 C N 2.368 121.644 119.300 -0.041 0.000 2.289 146 C HA 0.519 4.979 4.460 -0.001 0.000 0.340 146 C C -0.068 174.921 174.990 -0.002 0.000 1.152 146 C CA -0.074 58.941 59.018 -0.006 0.000 1.650 146 C CB -2.176 25.560 27.740 -0.007 0.000 2.203 146 C HN 0.425 nan 8.230 nan 0.000 0.511 147 I N 4.549 125.139 120.570 0.032 0.000 3.206 147 I HA 0.662 4.832 4.170 -0.001 0.000 0.313 147 I C 0.226 176.396 176.117 0.088 0.000 1.103 147 I CA -0.121 61.212 61.300 0.055 0.000 0.985 147 I CB 2.593 40.650 38.000 0.096 0.000 1.240 147 I HN 0.669 nan 8.210 nan 0.000 0.464 148 S N 2.211 117.964 115.700 0.087 0.000 2.880 148 S HA 0.823 5.293 4.470 -0.001 0.000 0.308 148 S C -0.733 173.892 174.600 0.041 0.000 1.195 148 S CA -0.780 57.467 58.200 0.078 0.000 0.866 148 S CB 2.288 65.528 63.200 0.066 0.000 1.254 148 S HN 0.692 nan 8.310 nan 0.000 0.571 149 M N -0.604 118.969 119.600 -0.045 0.000 3.855 149 M HA 0.546 5.026 4.480 -0.001 0.000 0.367 149 M C -2.406 173.788 176.300 -0.177 0.000 1.680 149 M CA -0.699 54.534 55.300 -0.110 0.000 0.869 149 M CB 0.552 33.066 32.600 -0.143 0.000 2.350 149 M HN 0.724 nan 8.290 nan 0.000 0.481 150 D N 0.871 121.154 120.400 -0.195 0.000 2.389 150 D HA 0.412 5.052 4.640 -0.001 0.000 0.256 150 D C -1.166 175.078 176.300 -0.092 0.000 1.239 150 D CA -0.188 53.737 54.000 -0.125 0.000 0.925 150 D CB 0.220 40.988 40.800 -0.054 0.000 1.145 150 D HN 0.560 nan 8.370 nan 0.000 0.542 151 Y N 1.500 121.789 120.300 -0.018 0.000 2.648 151 Y HA -0.130 4.420 4.550 -0.001 0.000 0.353 151 Y C 1.686 177.557 175.900 -0.048 0.000 1.271 151 Y CA -0.135 57.939 58.100 -0.044 0.000 1.483 151 Y CB 0.722 39.184 38.460 0.003 0.000 1.359 151 Y HN 0.290 nan 8.280 nan 0.000 0.669 152 K N 1.932 122.420 120.400 0.146 0.000 2.412 152 K HA 0.033 4.352 4.320 -0.001 0.000 0.281 152 K C -0.604 176.051 176.600 0.092 0.000 1.027 152 K CA -0.435 55.898 56.287 0.077 0.000 0.989 152 K CB 0.451 32.977 32.500 0.044 0.000 0.935 152 K HN 0.552 nan 8.250 nan 0.000 0.475 153 Q N 2.539 122.392 119.800 0.088 0.000 2.244 153 Q HA 0.021 4.360 4.340 -0.001 0.000 0.276 153 Q C -0.855 175.195 176.000 0.084 0.000 1.122 153 Q CA 0.511 56.364 55.803 0.085 0.000 0.920 153 Q CB 0.520 29.307 28.738 0.082 0.000 1.186 153 Q HN 0.666 nan 8.270 nan 0.000 0.393 154 T N 4.009 118.613 114.554 0.083 0.000 2.841 154 T HA 0.371 4.720 4.350 -0.001 0.000 0.285 154 T C -0.845 173.920 174.700 0.109 0.000 0.991 154 T CA -0.669 61.488 62.100 0.096 0.000 0.966 154 T CB 1.643 70.560 68.868 0.081 0.000 0.962 154 T HN 0.507 nan 8.240 nan 0.000 0.438 155 Q N 3.047 122.929 119.800 0.136 0.000 2.275 155 Q HA 0.626 4.965 4.340 -0.001 0.000 0.266 155 Q C -1.794 174.318 176.000 0.186 0.000 1.002 155 Q CA -0.908 55.025 55.803 0.217 0.000 0.761 155 Q CB 0.955 29.797 28.738 0.174 0.000 1.255 155 Q HN 0.659 nan 8.270 nan 0.000 0.446 156 L N 0.714 122.123 121.223 0.309 0.000 2.540 156 L HA 0.877 5.217 4.340 -0.001 0.000 0.256 156 L C -1.788 175.287 176.870 0.343 0.000 1.001 156 L CA -0.867 54.097 54.840 0.207 0.000 0.843 156 L CB 1.862 44.034 42.059 0.188 0.000 1.436 156 L HN 0.588 nan 8.230 nan 0.000 0.410 157 C N 2.123 121.505 119.300 0.137 0.000 2.551 157 C HA 0.843 5.303 4.460 -0.001 0.000 0.332 157 C C -1.058 173.962 174.990 0.051 0.000 1.139 157 C CA -0.464 58.665 59.018 0.186 0.000 1.328 157 C CB 0.593 28.460 27.740 0.212 0.000 1.903 157 C HN 0.860 nan 8.230 nan 0.000 0.459 158 L N 6.578 127.893 121.223 0.154 0.000 2.346 158 L HA 0.720 5.059 4.340 -0.001 0.000 0.276 158 L C -0.547 176.430 176.870 0.178 0.000 1.006 158 L CA -0.611 54.308 54.840 0.132 0.000 0.817 158 L CB 1.644 43.780 42.059 0.129 0.000 1.272 158 L HN 0.526 nan 8.230 nan 0.000 0.421 159 I N 1.607 122.290 120.570 0.188 0.000 2.533 159 I HA 0.834 5.003 4.170 -0.001 0.000 0.290 159 I C 0.167 176.190 176.117 -0.156 0.000 1.056 159 I CA -0.322 61.133 61.300 0.259 0.000 1.057 159 I CB 2.211 40.571 38.000 0.601 0.000 1.240 159 I HN 0.779 nan 8.210 nan 0.000 0.423 160 G N 2.596 111.237 108.800 -0.266 0.000 2.428 160 G HA2 0.300 4.259 3.960 -0.001 0.000 0.304 160 G HA3 0.300 4.259 3.960 -0.001 0.000 0.304 160 G C -0.105 174.632 174.900 -0.272 0.000 1.303 160 G CA -0.021 44.608 45.100 -0.784 0.000 0.825 160 G HN 0.714 nan 8.290 nan 0.000 0.484 161 C N -1.689 117.468 119.300 -0.238 0.000 2.791 161 C HA 0.565 5.025 4.460 -0.001 0.000 0.288 161 C C 0.486 175.364 174.990 -0.187 0.000 1.271 161 C CA -0.289 58.658 59.018 -0.119 0.000 1.726 161 C CB -0.550 27.228 27.740 0.064 0.000 2.145 161 C HN 0.356 nan 8.230 nan 0.000 0.572 162 K N 2.267 122.629 120.400 -0.064 0.000 2.123 162 K HA 0.562 4.881 4.320 -0.001 0.000 0.248 162 K C -2.712 174.092 176.600 0.341 0.000 0.969 162 K CA -2.460 53.857 56.287 0.050 0.000 0.882 162 K CB 0.551 33.057 32.500 0.009 0.000 1.080 162 K HN 0.118 nan 8.250 nan 0.000 0.441 163 P HA 0.101 nan 4.420 nan 0.000 0.269 163 P C -2.366 174.828 177.300 -0.178 0.000 1.215 163 P CA -0.905 62.061 63.100 -0.223 0.000 0.780 163 P CB -0.193 31.148 31.700 -0.598 0.000 0.898 164 P HA 0.277 nan 4.420 nan 0.000 0.272 164 P C -0.378 176.803 177.300 -0.198 0.000 1.240 164 P CA 0.102 63.103 63.100 -0.165 0.000 0.791 164 P CB 0.738 32.362 31.700 -0.127 0.000 0.978 165 I N 0.424 120.879 120.570 -0.192 0.000 2.468 165 I HA 0.363 4.533 4.170 -0.001 0.000 0.285 165 I C 0.874 176.849 176.117 -0.236 0.000 1.039 165 I CA -0.420 60.764 61.300 -0.192 0.000 1.074 165 I CB 1.856 39.768 38.000 -0.147 0.000 1.228 165 I HN 0.382 nan 8.210 nan 0.000 0.436 166 G N 4.610 113.270 108.800 -0.234 0.000 2.537 166 G HA2 0.717 4.677 3.960 -0.001 0.000 0.297 166 G HA3 0.717 4.677 3.960 -0.001 0.000 0.297 166 G C -0.863 173.947 174.900 -0.150 0.000 1.310 166 G CA -0.163 44.793 45.100 -0.240 0.000 1.027 166 G HN 0.687 nan 8.290 nan 0.000 0.505 167 E N -2.054 118.081 120.200 -0.108 0.000 2.445 167 E HA 0.609 4.959 4.350 -0.001 0.000 0.279 167 E C -1.217 175.387 176.600 0.007 0.000 1.018 167 E CA -1.065 55.267 56.400 -0.112 0.000 0.816 167 E CB 2.228 31.820 29.700 -0.181 0.000 1.356 167 E HN 0.986 nan 8.360 nan 0.000 0.462 168 H N -1.122 117.790 119.070 -0.263 0.000 2.863 168 H HA 0.082 4.638 4.556 -0.001 0.000 0.240 168 H C -2.143 173.037 175.328 -0.248 0.000 1.324 168 H CA -1.121 54.808 56.048 -0.199 0.000 1.480 168 H CB -0.705 28.994 29.762 -0.105 0.000 1.804 168 H HN 0.648 nan 8.280 nan 0.000 0.450 169 W N 1.111 122.355 121.300 -0.094 0.000 2.497 169 W HA 0.701 5.361 4.660 -0.001 0.000 0.359 169 W C 0.650 177.124 176.519 -0.076 0.000 1.131 169 W CA 0.404 57.674 57.345 -0.125 0.000 1.280 169 W CB 1.978 31.437 29.460 -0.002 0.000 1.319 169 W HN 1.005 nan 8.180 nan 0.000 0.626 170 G N 0.298 109.244 108.800 0.243 0.000 2.428 170 G HA2 0.306 4.266 3.960 -0.001 0.000 0.304 170 G HA3 0.306 4.266 3.960 -0.001 0.000 0.304 170 G C -2.090 172.886 174.900 0.126 0.000 1.303 170 G CA -1.123 44.071 45.100 0.158 0.000 0.825 170 G HN 0.292 nan 8.290 nan 0.000 0.484 171 K N 0.164 120.620 120.400 0.094 0.000 2.281 171 K HA 0.566 4.886 4.320 -0.001 0.000 0.272 171 K C -0.063 176.570 176.600 0.056 0.000 1.048 171 K CA -0.424 55.905 56.287 0.070 0.000 0.898 171 K CB 0.849 33.382 32.500 0.056 0.000 1.128 171 K HN 0.701 nan 8.250 nan 0.000 0.460 172 G N 2.953 111.785 108.800 0.052 0.000 3.102 172 G HA2 0.118 4.077 3.960 -0.001 0.000 0.345 172 G HA3 0.118 4.077 3.960 -0.001 0.000 0.345 172 G C -0.461 174.458 174.900 0.032 0.000 1.200 172 G CA -0.422 44.700 45.100 0.037 0.000 1.163 172 G HN 0.676 nan 8.290 nan 0.000 0.465 173 S N 2.490 118.207 115.700 0.028 0.000 3.446 173 S HA -0.119 4.350 4.470 -0.001 0.000 0.415 173 S C -1.075 173.538 174.600 0.021 0.000 1.146 173 S CA -0.162 58.051 58.200 0.022 0.000 0.887 173 S CB 0.296 63.506 63.200 0.017 0.000 0.630 173 S HN 0.597 nan 8.310 nan 0.000 0.453 174 P HA -0.038 nan 4.420 nan 0.000 0.279 174 P C -0.165 177.145 177.300 0.016 0.000 1.452 174 P CA -0.129 62.981 63.100 0.017 0.000 1.090 174 P CB 0.354 32.062 31.700 0.014 0.000 1.134 175 C N -1.071 118.238 119.300 0.014 0.000 2.411 175 C HA 0.347 4.806 4.460 -0.001 0.000 0.330 175 C C 0.113 175.109 174.990 0.010 0.000 1.224 175 C CA -0.104 58.922 59.018 0.012 0.000 1.770 175 C CB 0.773 28.520 27.740 0.012 0.000 2.297 175 C HN 0.428 nan 8.230 nan 0.000 0.507 176 T N 4.466 119.025 114.554 0.009 0.000 2.987 176 T HA 0.448 4.797 4.350 -0.001 0.000 0.288 176 T C -0.447 174.257 174.700 0.007 0.000 0.981 176 T CA 0.224 62.329 62.100 0.007 0.000 1.031 176 T CB -0.352 68.520 68.868 0.007 0.000 0.976 176 T HN 0.789 nan 8.240 nan 0.000 0.612 177 Q N 0.205 120.008 119.800 0.006 0.000 2.994 177 Q HA 0.211 4.550 4.340 -0.001 0.000 0.287 177 Q C -0.873 175.130 176.000 0.005 0.000 0.916 177 Q CA -1.107 54.700 55.803 0.006 0.000 0.806 177 Q CB 0.919 29.660 28.738 0.006 0.000 1.711 177 Q HN 0.220 nan 8.270 nan 0.000 0.477 178 V N 1.062 120.979 119.914 0.004 0.000 5.741 178 V HA -0.275 3.845 4.120 -0.001 0.000 0.117 178 V C 0.733 176.829 176.094 0.004 0.000 0.744 178 V CA 1.467 63.769 62.300 0.004 0.000 0.488 178 V CB -1.524 30.301 31.823 0.003 0.000 0.209 178 V HN 0.813 nan 8.190 nan 0.000 0.334 179 A N 5.291 128.113 122.820 0.004 0.000 3.029 179 A HA 0.429 4.748 4.320 -0.001 0.000 0.256 179 A C 0.808 178.394 177.584 0.003 0.000 1.913 179 A CA 0.372 52.412 52.037 0.004 0.000 1.493 179 A CB -1.149 17.853 19.000 0.004 0.000 0.918 179 A HN 2.083 nan 8.150 nan 0.000 0.616 180 V N -2.517 117.399 119.914 0.003 0.000 3.863 180 V HA -0.226 3.894 4.120 -0.001 0.000 0.547 180 V C 0.244 176.338 176.094 0.000 0.000 0.704 180 V CA 0.872 63.173 62.300 0.002 0.000 2.114 180 V CB -0.645 31.179 31.823 0.002 0.000 2.496 180 V HN 0.893 nan 8.190 nan 0.000 0.523 181 Q N 5.066 124.865 119.800 -0.001 0.000 2.360 181 Q HA 0.359 4.698 4.340 -0.001 0.000 0.254 181 Q C -2.421 173.577 176.000 -0.003 0.000 0.975 181 Q CA -2.135 53.667 55.803 -0.002 0.000 0.912 181 Q CB 1.389 30.126 28.738 -0.002 0.000 1.212 181 Q HN 0.761 nan 8.270 nan 0.000 0.452 182 P HA -0.172 nan 4.420 nan 0.000 0.255 182 P C 0.462 177.757 177.300 -0.007 0.000 1.123 182 P CA 1.872 64.969 63.100 -0.005 0.000 0.766 182 P CB 0.014 31.710 31.700 -0.005 0.000 0.705 183 G N 3.602 112.397 108.800 -0.007 0.000 3.700 183 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.211 183 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.211 183 G C -0.227 174.668 174.900 -0.008 0.000 1.777 183 G CA -0.003 45.091 45.100 -0.010 0.000 1.460 183 G HN 0.538 nan 8.290 nan 0.000 0.615 184 D N 1.771 122.167 120.400 -0.006 0.000 7.612 184 D HA 0.121 4.760 4.640 -0.001 0.000 0.171 184 D C 1.187 177.484 176.300 -0.004 0.000 1.375 184 D CA 1.072 55.070 54.000 -0.004 0.000 0.857 184 D CB -0.400 40.399 40.800 -0.001 0.000 1.630 184 D HN 0.795 nan 8.370 nan 0.000 0.943 185 C N 4.370 123.665 119.300 -0.007 0.000 2.624 185 C HA -0.016 4.443 4.460 -0.001 0.000 0.396 185 C C -1.576 173.413 174.990 -0.003 0.000 1.305 185 C CA -1.256 57.757 59.018 -0.008 0.000 1.728 185 C CB -0.233 27.498 27.740 -0.015 0.000 2.628 185 C HN 0.509 nan 8.230 nan 0.000 0.622 186 P HA 0.256 nan 4.420 nan 0.000 0.269 186 P C -2.551 174.754 177.300 0.009 0.000 1.209 186 P CA -0.452 62.655 63.100 0.012 0.000 0.776 186 P CB -0.066 31.648 31.700 0.023 0.000 0.876 187 P HA 0.123 nan 4.420 nan 0.000 0.280 187 P C -0.435 176.894 177.300 0.049 0.000 1.300 187 P CA -0.041 63.075 63.100 0.027 0.000 0.785 187 P CB 0.227 31.947 31.700 0.032 0.000 0.874 188 L N 3.296 124.541 121.223 0.036 0.000 2.472 188 L HA 0.342 4.681 4.340 -0.001 0.000 0.260 188 L C 0.757 177.748 176.870 0.201 0.000 1.209 188 L CA 0.529 55.424 54.840 0.091 0.000 0.817 188 L CB -0.234 41.765 42.059 -0.100 0.000 1.106 188 L HN 0.472 nan 8.230 nan 0.000 0.479 189 E N 1.306 121.713 120.200 0.344 0.000 2.506 189 E HA 0.132 4.481 4.350 -0.001 0.000 0.308 189 E C -1.524 175.127 176.600 0.086 0.000 0.931 189 E CA -0.797 55.753 56.400 0.250 0.000 0.800 189 E CB 1.532 31.288 29.700 0.092 0.000 1.292 189 E HN 0.314 nan 8.360 nan 0.000 0.401 190 L N 5.844 126.975 121.223 -0.154 0.000 2.584 190 L HA 0.184 4.524 4.340 -0.001 0.000 0.272 190 L C -0.737 175.906 176.870 -0.377 0.000 1.195 190 L CA 1.029 55.508 54.840 -0.601 0.000 0.920 190 L CB -0.014 41.639 42.059 -0.675 0.000 1.173 190 L HN 0.471 nan 8.230 nan 0.000 0.489 191 I N 5.930 126.204 120.570 -0.494 0.000 2.382 191 I HA 0.268 4.438 4.170 -0.001 0.000 0.285 191 I C 0.030 176.009 176.117 -0.230 0.000 1.007 191 I CA -0.687 60.407 61.300 -0.344 0.000 1.142 191 I CB 0.757 38.512 38.000 -0.408 0.000 1.289 191 I HN 0.558 nan 8.210 nan 0.000 0.453 192 N N 4.134 122.751 118.700 -0.138 0.000 2.479 192 N HA 0.218 4.958 4.740 -0.001 0.000 0.257 192 N C -0.058 175.439 175.510 -0.021 0.000 1.232 192 N CA 0.334 53.333 53.050 -0.086 0.000 0.920 192 N CB 1.725 40.157 38.487 -0.091 0.000 1.105 192 N HN 0.595 nan 8.380 nan 0.000 0.444 193 T N -1.583 112.953 114.554 -0.029 0.000 2.885 193 T HA 0.245 4.594 4.350 -0.001 0.000 0.322 193 T C -1.110 173.545 174.700 -0.075 0.000 1.387 193 T CA -0.769 61.326 62.100 -0.009 0.000 1.041 193 T CB 0.769 69.663 68.868 0.042 0.000 1.287 193 T HN 0.073 nan 8.240 nan 0.000 0.491 194 V N 4.964 124.845 119.914 -0.055 0.000 2.470 194 V HA 0.313 4.432 4.120 -0.001 0.000 0.276 194 V C 0.871 176.895 176.094 -0.116 0.000 1.040 194 V CA -0.341 61.862 62.300 -0.161 0.000 1.008 194 V CB 0.328 31.954 31.823 -0.329 0.000 0.990 194 V HN 0.746 nan 8.190 nan 0.000 0.477 195 I N 5.571 126.024 120.570 -0.195 0.000 2.349 195 I HA 0.101 4.270 4.170 -0.001 0.000 0.302 195 I C 0.886 176.943 176.117 -0.101 0.000 1.180 195 I CA 0.190 61.323 61.300 -0.278 0.000 1.405 195 I CB -0.403 37.254 38.000 -0.572 0.000 1.474 195 I HN 0.714 nan 8.210 nan 0.000 0.632 196 Q N 3.473 123.264 119.800 -0.014 0.000 2.454 196 Q HA 0.048 4.388 4.340 -0.001 0.000 0.247 196 Q C 0.027 176.038 176.000 0.018 0.000 1.028 196 Q CA -0.295 55.526 55.803 0.030 0.000 0.910 196 Q CB 0.801 29.435 28.738 -0.174 0.000 1.276 196 Q HN 0.519 nan 8.270 nan 0.000 0.489 197 D N -0.692 119.729 120.400 0.035 0.000 2.400 197 D HA 0.147 4.786 4.640 -0.001 0.000 0.238 197 D C 0.886 177.176 176.300 -0.017 0.000 1.157 197 D CA 1.276 55.292 54.000 0.027 0.000 0.889 197 D CB 0.289 41.077 40.800 -0.021 0.000 1.199 197 D HN 0.644 nan 8.370 nan 0.000 0.436 198 G N 2.290 111.106 108.800 0.026 0.000 2.189 198 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.267 198 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.267 198 G C 0.175 175.099 174.900 0.040 0.000 0.975 198 G CA 0.501 45.615 45.100 0.023 0.000 0.644 198 G HN 0.711 nan 8.290 nan 0.000 0.537 199 D N 0.382 120.816 120.400 0.056 0.000 2.384 199 D HA 0.392 5.032 4.640 -0.001 0.000 0.244 199 D C 1.049 177.439 176.300 0.151 0.000 1.251 199 D CA 0.085 54.110 54.000 0.041 0.000 0.961 199 D CB 0.302 41.062 40.800 -0.066 0.000 1.116 199 D HN 0.037 nan 8.370 nan 0.000 0.484 200 M N 1.250 120.899 119.600 0.083 0.000 2.209 200 M HA 0.183 4.663 4.480 -0.001 0.000 0.355 200 M C 0.328 176.746 176.300 0.197 0.000 1.171 200 M CA -0.895 54.468 55.300 0.105 0.000 1.069 200 M CB 1.138 33.747 32.600 0.014 0.000 1.622 200 M HN 0.223 nan 8.290 nan 0.000 0.459 201 V N -0.150 119.870 119.914 0.177 0.000 3.697 201 V HA 0.315 4.435 4.120 -0.001 0.000 0.285 201 V C 0.266 176.432 176.094 0.119 0.000 1.041 201 V CA -0.667 61.773 62.300 0.233 0.000 1.045 201 V CB 0.294 32.088 31.823 -0.049 0.000 1.227 201 V HN 0.806 nan 8.190 nan 0.000 0.448 202 D N 0.339 120.824 120.400 0.141 0.000 2.390 202 D HA 0.255 4.894 4.640 -0.001 0.000 0.249 202 D C 0.991 177.289 176.300 -0.002 0.000 1.144 202 D CA 0.649 54.698 54.000 0.082 0.000 0.880 202 D CB 1.458 42.303 40.800 0.076 0.000 1.182 202 D HN 0.961 nan 8.370 nan 0.000 0.451 203 T N 0.130 114.677 114.554 -0.011 0.000 3.044 203 T HA 0.396 4.746 4.350 -0.001 0.000 0.260 203 T C 1.179 175.929 174.700 0.083 0.000 1.019 203 T CA 0.296 62.335 62.100 -0.102 0.000 0.921 203 T CB 0.402 68.921 68.868 -0.582 0.000 1.053 203 T HN 0.574 nan 8.240 nan 0.000 0.533 204 G N 0.712 109.519 108.800 0.012 0.000 2.198 204 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.156 204 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.156 204 G C 0.086 174.891 174.900 -0.158 0.000 1.012 204 G CA -0.453 44.580 45.100 -0.113 0.000 0.692 204 G HN 0.483 nan 8.290 nan 0.000 0.492 205 F N 1.952 122.056 119.950 0.256 0.000 2.791 205 F HA 0.454 4.981 4.527 -0.001 0.000 0.308 205 F C 1.689 177.677 175.800 0.313 0.000 1.138 205 F CA 0.184 58.359 58.000 0.293 0.000 1.294 205 F CB 0.768 39.974 39.000 0.343 0.000 0.975 205 F HN 0.569 nan 8.300 nan 0.000 0.512 206 G N 1.509 110.507 108.800 0.331 0.000 2.668 206 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.266 206 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.266 206 G C -0.384 174.660 174.900 0.241 0.000 1.328 206 G CA -0.388 44.857 45.100 0.242 0.000 0.911 206 G HN 0.674 nan 8.290 nan 0.000 0.567 207 A N -0.063 122.890 122.820 0.222 0.000 2.271 207 A HA 0.935 5.254 4.320 -0.001 0.000 0.317 207 A C 0.313 178.056 177.584 0.264 0.000 1.245 207 A CA 0.785 52.926 52.037 0.173 0.000 0.857 207 A CB 0.457 19.550 19.000 0.156 0.000 1.175 207 A HN 2.255 nan 8.150 nan 0.000 0.512 208 M N 0.331 119.999 119.600 0.114 0.000 3.506 208 M HA 0.417 4.896 4.480 -0.001 0.000 0.338 208 M C -2.298 173.952 176.300 -0.083 0.000 1.270 208 M CA -0.754 54.672 55.300 0.210 0.000 0.907 208 M CB 1.119 33.918 32.600 0.331 0.000 2.012 208 M HN 0.386 nan 8.290 nan 0.000 0.541 209 D N 0.771 121.231 120.400 0.099 0.000 2.461 209 D HA 0.521 5.161 4.640 -0.001 0.000 0.240 209 D C -0.189 176.216 176.300 0.174 0.000 1.094 209 D CA -0.348 53.675 54.000 0.037 0.000 0.868 209 D CB 0.451 41.339 40.800 0.146 0.000 1.062 209 D HN 0.575 nan 8.370 nan 0.000 0.530 210 F N 0.889 120.890 119.950 0.084 0.000 2.084 210 F HA -0.180 4.346 4.527 -0.001 0.000 0.296 210 F C 2.331 178.156 175.800 0.041 0.000 1.111 210 F CA 0.675 58.711 58.000 0.060 0.000 1.224 210 F CB 0.082 39.121 39.000 0.066 0.000 0.991 210 F HN 0.282 nan 8.300 nan 0.000 0.471 211 T N -1.087 113.620 114.554 0.256 0.000 2.836 211 T HA -0.247 4.102 4.350 -0.001 0.000 0.268 211 T C 1.641 176.404 174.700 0.105 0.000 1.080 211 T CA 1.936 64.119 62.100 0.137 0.000 1.128 211 T CB -0.593 68.332 68.868 0.095 0.000 0.839 211 T HN 0.454 nan 8.240 nan 0.000 0.507 212 T N -2.305 112.322 114.554 0.122 0.000 3.004 212 T HA 0.316 4.665 4.350 -0.001 0.000 0.266 212 T C 1.324 176.082 174.700 0.096 0.000 0.986 212 T CA -0.393 61.763 62.100 0.093 0.000 0.902 212 T CB 0.131 69.050 68.868 0.085 0.000 1.118 212 T HN 0.159 nan 8.240 nan 0.000 0.522 213 L N 0.656 121.959 121.223 0.134 0.000 2.616 213 L HA 0.430 4.770 4.340 -0.001 0.000 0.229 213 L C 0.333 177.242 176.870 0.064 0.000 1.110 213 L CA 0.597 55.501 54.840 0.108 0.000 0.884 213 L CB -0.148 42.004 42.059 0.156 0.000 1.115 213 L HN 0.470 nan 8.230 nan 0.000 0.481 214 Q N -0.511 119.331 119.800 0.069 0.000 2.932 214 Q HA 0.342 4.682 4.340 -0.001 0.000 0.248 214 Q C 0.849 176.851 176.000 0.002 0.000 0.982 214 Q CA -0.094 55.710 55.803 0.002 0.000 0.730 214 Q CB 1.697 30.405 28.738 -0.049 0.000 1.249 214 Q HN 0.106 nan 8.270 nan 0.000 0.476 215 A N 2.098 124.914 122.820 -0.006 0.000 1.972 215 A HA -0.238 4.082 4.320 -0.001 0.000 0.219 215 A C 1.830 179.399 177.584 -0.024 0.000 1.169 215 A CA 1.600 53.633 52.037 -0.007 0.000 0.635 215 A CB -0.380 18.614 19.000 -0.009 0.000 0.810 215 A HN 0.770 nan 8.150 nan 0.000 0.446 216 N N -0.149 118.521 118.700 -0.050 0.000 2.144 216 N HA -0.289 4.450 4.740 -0.001 0.000 0.195 216 N C 0.783 176.255 175.510 -0.062 0.000 1.006 216 N CA 1.977 54.983 53.050 -0.074 0.000 0.880 216 N CB -0.222 38.193 38.487 -0.121 0.000 1.018 216 N HN 0.535 nan 8.380 nan 0.000 0.443 217 K N -1.032 119.344 120.400 -0.039 0.000 3.281 217 K HA -0.172 4.147 4.320 -0.001 0.000 0.295 217 K C -1.062 175.571 176.600 0.054 0.000 1.233 217 K CA 0.930 57.224 56.287 0.013 0.000 0.866 217 K CB -1.608 30.908 32.500 0.027 0.000 1.265 217 K HN 0.467 nan 8.250 nan 0.000 0.482 218 S N -1.373 114.281 115.700 -0.077 0.000 2.653 218 S HA 0.097 4.566 4.470 -0.001 0.000 0.155 218 S C -0.152 174.232 174.600 -0.361 0.000 0.868 218 S CA -0.746 57.313 58.200 -0.234 0.000 0.958 218 S CB 0.164 63.039 63.200 -0.541 0.000 1.694 218 S HN 0.283 nan 8.310 nan 0.000 0.550 219 E N 0.943 120.939 120.200 -0.341 0.000 2.474 219 E HA 0.230 4.580 4.350 -0.001 0.000 0.195 219 E C 0.694 176.936 176.600 -0.598 0.000 1.039 219 E CA 0.326 56.414 56.400 -0.521 0.000 0.881 219 E CB 0.957 30.285 29.700 -0.619 0.000 0.970 219 E HN 0.724 nan 8.360 nan 0.000 0.486 220 V N -2.156 117.540 119.914 -0.362 0.000 2.971 220 V HA 0.458 4.578 4.120 -0.001 0.000 0.309 220 V C -2.979 173.220 176.094 0.176 0.000 1.130 220 V CA -3.165 59.032 62.300 -0.171 0.000 0.964 220 V CB 1.721 33.310 31.823 -0.389 0.000 1.029 220 V HN -0.270 nan 8.190 nan 0.000 0.427 221 P HA -0.035 nan 4.420 nan 0.000 0.272 221 P C 0.662 178.179 177.300 0.361 0.000 1.210 221 P CA 0.153 63.491 63.100 0.397 0.000 0.789 221 P CB 0.393 32.367 31.700 0.458 0.000 0.849 222 L N 1.509 122.894 121.223 0.271 0.000 2.376 222 L HA -0.126 4.213 4.340 -0.001 0.000 0.219 222 L C 1.343 178.433 176.870 0.367 0.000 1.133 222 L CA 1.852 56.771 54.840 0.132 0.000 0.816 222 L CB -1.115 40.928 42.059 -0.026 0.000 0.933 222 L HN 0.359 nan 8.230 nan 0.000 0.449 223 D N -1.272 119.445 120.400 0.529 0.000 2.289 223 D HA -0.134 4.506 4.640 -0.001 0.000 0.207 223 D C 1.853 178.347 176.300 0.323 0.000 0.966 223 D CA 1.207 55.455 54.000 0.414 0.000 0.868 223 D CB -0.206 40.790 40.800 0.327 0.000 0.943 223 D HN 0.488 nan 8.370 nan 0.000 0.514 224 I N -0.763 120.036 120.570 0.382 0.000 3.526 224 I HA 0.078 4.248 4.170 -0.001 0.000 0.294 224 I C 1.525 177.926 176.117 0.473 0.000 1.229 224 I CA -0.121 61.426 61.300 0.412 0.000 1.408 224 I CB -0.634 37.741 38.000 0.624 0.000 1.127 224 I HN 0.079 nan 8.210 nan 0.000 0.439 225 C N 1.418 120.936 119.300 0.364 0.000 2.410 225 C HA -0.075 4.384 4.460 -0.001 0.000 0.281 225 C C 2.484 177.625 174.990 0.252 0.000 1.318 225 C CA 1.131 60.309 59.018 0.266 0.000 1.776 225 C CB -2.331 25.512 27.740 0.171 0.000 1.942 225 C HN 0.687 nan 8.230 nan 0.000 0.508 226 T N -2.068 112.609 114.554 0.204 0.000 3.244 226 T HA 0.365 4.714 4.350 -0.001 0.000 0.254 226 T C 0.294 175.067 174.700 0.122 0.000 1.024 226 T CA 0.010 62.197 62.100 0.145 0.000 0.920 226 T CB -0.162 68.767 68.868 0.102 0.000 1.042 226 T HN 0.514 nan 8.240 nan 0.000 0.572 227 S N 0.625 116.413 115.700 0.145 0.000 2.740 227 S HA 0.790 5.259 4.470 -0.001 0.000 0.300 227 S C -1.171 173.384 174.600 -0.074 0.000 1.147 227 S CA -0.931 57.294 58.200 0.042 0.000 0.871 227 S CB 1.018 64.252 63.200 0.057 0.000 1.173 227 S HN 0.203 nan 8.310 nan 0.000 0.510 228 I N 0.781 121.251 120.570 -0.167 0.000 2.404 228 I HA 0.407 4.576 4.170 -0.001 0.000 0.293 228 I C -0.574 175.360 176.117 -0.304 0.000 0.992 228 I CA -0.665 60.444 61.300 -0.319 0.000 1.149 228 I CB 0.808 38.571 38.000 -0.396 0.000 1.315 228 I HN 0.523 nan 8.210 nan 0.000 0.446 229 C N 5.587 124.666 119.300 -0.369 0.000 2.273 229 C HA 0.520 4.979 4.460 -0.001 0.000 0.328 229 C C 0.304 175.242 174.990 -0.086 0.000 1.275 229 C CA -0.596 58.305 59.018 -0.196 0.000 1.704 229 C CB -0.342 27.252 27.740 -0.244 0.000 2.326 229 C HN 0.655 nan 8.230 nan 0.000 0.517 230 K N 2.861 123.258 120.400 -0.004 0.000 2.426 230 K HA 0.422 4.741 4.320 -0.001 0.000 0.254 230 K C -1.643 175.006 176.600 0.081 0.000 0.936 230 K CA -0.512 55.748 56.287 -0.044 0.000 0.801 230 K CB 1.827 34.181 32.500 -0.243 0.000 1.139 230 K HN 0.635 nan 8.250 nan 0.000 0.424 231 Y N 4.299 124.554 120.300 -0.076 0.000 2.341 231 Y HA 0.347 4.897 4.550 -0.001 0.000 0.338 231 Y C -2.515 173.246 175.900 -0.231 0.000 0.965 231 Y CA -2.636 55.425 58.100 -0.065 0.000 1.108 231 Y CB 1.436 39.858 38.460 -0.063 0.000 1.180 231 Y HN 0.455 nan 8.280 nan 0.000 0.458 232 P HA -0.080 nan 4.420 nan 0.000 0.260 232 P C -0.642 176.010 177.300 -1.081 0.000 1.172 232 P CA 0.604 63.160 63.100 -0.906 0.000 0.760 232 P CB 0.416 31.374 31.700 -1.237 0.000 0.773 233 D N 3.078 123.118 120.400 -0.601 0.000 2.619 233 D HA 0.037 4.676 4.640 -0.001 0.000 0.224 233 D C 0.888 176.996 176.300 -0.320 0.000 1.133 233 D CA -0.113 53.639 54.000 -0.414 0.000 1.017 233 D CB -0.633 40.031 40.800 -0.227 0.000 1.077 233 D HN 0.369 nan 8.370 nan 0.000 0.503 234 Y N 1.125 121.255 120.300 -0.285 0.000 2.002 234 Y HA -0.350 4.199 4.550 -0.001 0.000 0.268 234 Y C 2.321 178.108 175.900 -0.189 0.000 1.177 234 Y CA 0.317 58.225 58.100 -0.319 0.000 1.111 234 Y CB -0.117 38.161 38.460 -0.304 0.000 0.952 234 Y HN 0.311 nan 8.280 nan 0.000 0.491 235 I N 0.554 121.162 120.570 0.063 0.000 2.087 235 I HA -0.385 3.784 4.170 -0.001 0.000 0.240 235 I C 2.385 178.506 176.117 0.006 0.000 1.054 235 I CA 1.823 63.148 61.300 0.041 0.000 1.311 235 I CB -1.158 36.864 38.000 0.038 0.000 1.024 235 I HN 0.304 nan 8.210 nan 0.000 0.402 236 K N 0.109 120.490 120.400 -0.030 0.000 2.032 236 K HA -0.182 4.137 4.320 -0.001 0.000 0.209 236 K C 2.223 178.807 176.600 -0.027 0.000 1.048 236 K CA 1.565 57.831 56.287 -0.035 0.000 0.927 236 K CB -0.084 32.377 32.500 -0.064 0.000 0.712 236 K HN 0.240 nan 8.250 nan 0.000 0.441 237 M N -0.043 119.530 119.600 -0.046 0.000 2.213 237 M HA -0.164 4.315 4.480 -0.001 0.000 0.263 237 M C 2.043 178.341 176.300 -0.002 0.000 1.062 237 M CA 1.174 56.451 55.300 -0.038 0.000 1.105 237 M CB 0.030 32.586 32.600 -0.073 0.000 1.385 237 M HN 0.015 nan 8.290 nan 0.000 0.417 238 V N -1.294 118.622 119.914 0.003 0.000 2.426 238 V HA -0.103 4.017 4.120 -0.001 0.000 0.242 238 V C 2.116 178.246 176.094 0.060 0.000 1.036 238 V CA 1.393 63.715 62.300 0.037 0.000 1.044 238 V CB -0.214 31.622 31.823 0.022 0.000 0.688 238 V HN 0.340 nan 8.190 nan 0.000 0.462 239 S N -0.149 115.577 115.700 0.043 0.000 2.528 239 S HA -0.136 4.334 4.470 -0.001 0.000 0.244 239 S C 0.904 175.532 174.600 0.047 0.000 0.982 239 S CA 0.541 58.767 58.200 0.044 0.000 0.953 239 S CB -0.498 62.718 63.200 0.027 0.000 0.754 239 S HN 0.729 nan 8.310 nan 0.000 0.529 240 E N 2.691 122.923 120.200 0.053 0.000 2.417 240 E HA 0.029 4.378 4.350 -0.001 0.000 0.261 240 E C -0.887 175.761 176.600 0.079 0.000 1.000 240 E CA -1.327 55.111 56.400 0.063 0.000 0.919 240 E CB 0.545 30.285 29.700 0.067 0.000 0.955 240 E HN 0.072 nan 8.360 nan 0.000 0.455 241 P HA -0.227 nan 4.420 nan 0.000 0.202 241 P C 0.684 177.948 177.300 -0.061 0.000 1.171 241 P CA 1.418 64.481 63.100 -0.061 0.000 0.925 241 P CB -0.335 31.262 31.700 -0.171 0.000 0.760 242 Y N 0.137 120.447 120.300 0.016 0.000 2.588 242 Y HA -0.065 4.485 4.550 -0.001 0.000 0.279 242 Y C 1.989 178.024 175.900 0.226 0.000 1.171 242 Y CA 1.169 59.324 58.100 0.091 0.000 1.425 242 Y CB -1.475 37.024 38.460 0.064 0.000 0.960 242 Y HN 0.270 nan 8.280 nan 0.000 0.585 243 G N 0.147 109.132 108.800 0.309 0.000 2.233 243 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.270 243 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.270 243 G C 0.624 175.689 174.900 0.276 0.000 1.011 243 G CA 0.752 46.029 45.100 0.295 0.000 0.762 243 G HN 0.444 nan 8.290 nan 0.000 0.511 244 D N -0.059 120.494 120.400 0.255 0.000 2.264 244 D HA 0.062 4.701 4.640 -0.001 0.000 0.208 244 D C 2.508 178.812 176.300 0.007 0.000 0.966 244 D CA 1.338 55.452 54.000 0.189 0.000 0.864 244 D CB 0.079 40.993 40.800 0.190 0.000 0.933 244 D HN 0.453 nan 8.370 nan 0.000 0.499 245 S N -0.208 115.486 115.700 -0.009 0.000 2.326 245 S HA 0.055 4.524 4.470 -0.001 0.000 0.211 245 S C 0.957 175.450 174.600 -0.179 0.000 1.031 245 S CA 0.541 58.700 58.200 -0.069 0.000 0.985 245 S CB -0.186 62.989 63.200 -0.042 0.000 0.961 245 S HN 0.337 nan 8.310 nan 0.000 0.436 246 L N -1.537 119.586 121.223 -0.167 0.000 2.371 246 L HA 0.686 5.025 4.340 -0.001 0.000 0.262 246 L C -0.197 176.619 176.870 -0.090 0.000 1.006 246 L CA -0.987 53.690 54.840 -0.271 0.000 0.818 246 L CB 1.415 43.420 42.059 -0.090 0.000 1.354 246 L HN 0.265 nan 8.230 nan 0.000 0.415 247 F N -0.043 120.035 119.950 0.213 0.000 2.699 247 F HA 0.500 5.026 4.527 -0.001 0.000 0.295 247 F C -0.012 175.971 175.800 0.305 0.000 1.052 247 F CA -0.826 57.309 58.000 0.226 0.000 1.239 247 F CB -0.284 38.829 39.000 0.189 0.000 1.018 247 F HN 0.326 nan 8.300 nan 0.000 0.627 248 F N 2.599 122.941 119.950 0.653 0.000 2.495 248 F HA 0.643 5.169 4.527 -0.001 0.000 0.327 248 F C -1.158 174.788 175.800 0.244 0.000 1.103 248 F CA -2.272 55.917 58.000 0.316 0.000 0.949 248 F CB 1.551 40.716 39.000 0.275 0.000 1.142 248 F HN 0.099 nan 8.300 nan 0.000 0.457 249 Y N 5.514 125.306 120.300 -0.846 0.000 2.521 249 Y HA 0.651 5.201 4.550 -0.001 0.000 0.326 249 Y C -2.643 172.780 175.900 -0.795 0.000 1.176 249 Y CA -2.021 55.612 58.100 -0.778 0.000 1.079 249 Y CB 0.643 38.876 38.460 -0.378 0.000 1.341 249 Y HN 0.565 nan 8.280 nan 0.000 0.456 250 L N 2.402 123.159 121.223 -0.777 0.000 2.482 250 L HA 0.826 5.165 4.340 -0.001 0.000 0.263 250 L C -0.863 175.837 176.870 -0.283 0.000 0.957 250 L CA -1.628 52.843 54.840 -0.616 0.000 0.836 250 L CB 2.170 43.857 42.059 -0.620 0.000 1.324 250 L HN 0.865 nan 8.230 nan 0.000 0.406 251 R N 0.679 121.077 120.500 -0.170 0.000 2.740 251 R HA 0.955 5.295 4.340 -0.001 0.000 0.282 251 R C -0.702 175.588 176.300 -0.016 0.000 0.969 251 R CA -0.956 55.142 56.100 -0.003 0.000 0.918 251 R CB 2.306 32.661 30.300 0.092 0.000 1.175 251 R HN 0.693 nan 8.270 nan 0.000 0.464 252 R N 1.572 122.098 120.500 0.044 0.000 3.190 252 R HA 0.095 4.435 4.340 -0.001 0.000 0.244 252 R C -1.481 174.861 176.300 0.070 0.000 1.788 252 R CA -0.254 55.864 56.100 0.030 0.000 1.160 252 R CB 0.946 31.234 30.300 -0.019 0.000 1.494 252 R HN 0.932 nan 8.270 nan 0.000 0.499 253 E N 3.314 123.572 120.200 0.097 0.000 2.191 253 E HA 0.392 4.742 4.350 -0.001 0.000 0.274 253 E C -1.110 175.536 176.600 0.076 0.000 0.948 253 E CA -0.964 55.496 56.400 0.099 0.000 0.802 253 E CB 2.148 31.924 29.700 0.126 0.000 1.137 253 E HN 0.547 nan 8.360 nan 0.000 0.397 254 Q N 2.753 122.598 119.800 0.075 0.000 2.353 254 Q HA 0.615 4.954 4.340 -0.001 0.000 0.275 254 Q C -1.061 174.996 176.000 0.094 0.000 1.029 254 Q CA -0.999 54.849 55.803 0.075 0.000 0.848 254 Q CB 2.401 31.178 28.738 0.065 0.000 1.390 254 Q HN 0.636 nan 8.270 nan 0.000 0.401 255 M N 2.565 122.235 119.600 0.117 0.000 2.895 255 M HA 0.727 5.206 4.480 -0.001 0.000 0.271 255 M C -2.187 174.250 176.300 0.229 0.000 1.174 255 M CA -0.544 54.835 55.300 0.131 0.000 0.816 255 M CB 2.438 35.066 32.600 0.047 0.000 1.647 255 M HN 1.055 nan 8.290 nan 0.000 0.506 256 F N 0.550 120.479 119.950 -0.036 0.000 2.799 256 F HA 0.597 5.123 4.527 -0.001 0.000 0.316 256 F C -1.784 173.975 175.800 -0.067 0.000 1.155 256 F CA -0.966 57.007 58.000 -0.046 0.000 0.916 256 F CB 0.413 39.386 39.000 -0.044 0.000 1.294 256 F HN 0.393 nan 8.300 nan 0.000 0.447 257 V N 2.168 122.073 119.914 -0.015 0.000 2.405 257 V HA 0.460 4.580 4.120 -0.001 0.000 0.264 257 V C 0.861 176.736 176.094 -0.365 0.000 1.048 257 V CA 0.173 62.360 62.300 -0.188 0.000 0.966 257 V CB 0.553 32.347 31.823 -0.049 0.000 1.015 257 V HN 1.107 nan 8.190 nan 0.000 0.477 258 R N 3.502 123.678 120.500 -0.541 0.000 2.075 258 R HA 0.246 4.585 4.340 -0.001 0.000 0.220 258 R C 0.491 176.469 176.300 -0.537 0.000 1.118 258 R CA 1.063 56.839 56.100 -0.540 0.000 0.986 258 R CB 0.002 30.008 30.300 -0.490 0.000 0.884 258 R HN 0.867 nan 8.270 nan 0.000 0.439 259 H N -2.148 116.698 119.070 -0.373 0.000 2.941 259 H HA 0.589 5.145 4.556 -0.001 0.000 0.344 259 H C -1.601 173.369 175.328 -0.595 0.000 1.235 259 H CA -0.745 55.022 56.048 -0.468 0.000 1.149 259 H CB 1.777 31.107 29.762 -0.720 0.000 1.885 259 H HN -0.056 nan 8.280 nan 0.000 0.558 260 L N 1.644 122.627 121.223 -0.400 0.000 2.438 260 L HA 0.445 4.784 4.340 -0.001 0.000 0.270 260 L C -1.319 175.449 176.870 -0.170 0.000 0.972 260 L CA -0.096 54.551 54.840 -0.323 0.000 0.831 260 L CB 1.268 43.257 42.059 -0.117 0.000 1.273 260 L HN 0.457 nan 8.230 nan 0.000 0.405 261 F N 0.554 120.291 119.950 -0.354 0.000 2.593 261 F HA 0.454 4.980 4.527 -0.001 0.000 0.320 261 F C 0.057 175.739 175.800 -0.197 0.000 1.060 261 F CA -1.044 56.707 58.000 -0.415 0.000 0.940 261 F CB 2.317 40.787 39.000 -0.884 0.000 1.268 261 F HN 0.446 nan 8.300 nan 0.000 0.475 262 N N 1.122 119.908 118.700 0.144 0.000 2.408 262 N HA 0.233 4.972 4.740 -0.001 0.000 0.280 262 N C -0.935 174.682 175.510 0.179 0.000 1.002 262 N CA -0.796 52.306 53.050 0.088 0.000 0.907 262 N CB 0.804 39.281 38.487 -0.017 0.000 1.161 262 N HN 0.393 nan 8.380 nan 0.000 0.488 263 R N 2.078 122.690 120.500 0.186 0.000 2.316 263 R HA 0.223 4.562 4.340 -0.001 0.000 0.314 263 R C -0.198 176.091 176.300 -0.018 0.000 1.069 263 R CA -0.262 55.893 56.100 0.092 0.000 0.959 263 R CB 0.715 31.020 30.300 0.008 0.000 0.987 263 R HN 0.576 nan 8.270 nan 0.000 0.446 264 A N 1.802 124.600 122.820 -0.036 0.000 2.386 264 A HA 0.588 4.907 4.320 -0.001 0.000 0.248 264 A C 0.741 178.283 177.584 -0.069 0.000 1.082 264 A CA 0.726 52.728 52.037 -0.057 0.000 0.789 264 A CB 0.347 19.306 19.000 -0.068 0.000 1.025 264 A HN 0.857 nan 8.150 nan 0.000 0.490 265 G N -0.457 108.306 108.800 -0.060 0.000 2.384 265 G HA2 0.398 4.358 3.960 -0.001 0.000 0.668 265 G HA3 0.398 4.358 3.960 -0.001 0.000 0.668 265 G C -0.043 174.826 174.900 -0.050 0.000 1.280 265 G CA 0.099 45.164 45.100 -0.059 0.000 0.992 265 G HN 2.167 nan 8.290 nan 0.000 0.512 266 T N -1.560 112.966 114.554 -0.046 0.000 2.919 266 T HA 0.506 4.855 4.350 -0.001 0.000 0.302 266 T C 0.816 175.494 174.700 -0.037 0.000 1.031 266 T CA 0.119 62.197 62.100 -0.037 0.000 1.127 266 T CB 1.232 70.082 68.868 -0.031 0.000 0.952 266 T HN 1.644 nan 8.240 nan 0.000 0.540 267 V N 4.549 124.444 119.914 -0.032 0.000 2.506 267 V HA 0.178 4.297 4.120 -0.001 0.000 0.296 267 V C 1.734 177.815 176.094 -0.021 0.000 1.004 267 V CA 0.896 63.179 62.300 -0.027 0.000 1.150 267 V CB -0.411 31.400 31.823 -0.020 0.000 0.911 267 V HN 1.203 nan 8.190 nan 0.000 0.476 268 G N 4.614 113.401 108.800 -0.022 0.000 2.417 268 G HA2 0.040 4.000 3.960 -0.001 0.000 0.212 268 G HA3 0.040 4.000 3.960 -0.001 0.000 0.212 268 G C 0.401 175.296 174.900 -0.009 0.000 1.187 268 G CA 0.050 45.139 45.100 -0.017 0.000 0.804 268 G HN 0.657 nan 8.290 nan 0.000 0.534 269 E N -0.354 119.842 120.200 -0.007 0.000 2.256 269 E HA 0.414 4.763 4.350 -0.001 0.000 0.267 269 E C -1.508 175.098 176.600 0.010 0.000 0.892 269 E CA -0.657 55.745 56.400 0.003 0.000 0.775 269 E CB 1.813 31.516 29.700 0.005 0.000 1.207 269 E HN 0.087 nan 8.360 nan 0.000 0.420 270 N N 0.598 119.311 118.700 0.022 0.000 2.426 270 N HA 0.210 4.950 4.740 -0.001 0.000 0.275 270 N C -1.062 174.482 175.510 0.057 0.000 1.019 270 N CA -0.401 52.669 53.050 0.034 0.000 0.941 270 N CB 1.222 39.733 38.487 0.040 0.000 1.123 270 N HN 0.128 nan 8.380 nan 0.000 0.486 271 V N 4.261 124.210 119.914 0.058 0.000 2.681 271 V HA -0.018 4.101 4.120 -0.001 0.000 0.306 271 V C -1.823 174.390 176.094 0.199 0.000 1.077 271 V CA -0.519 61.846 62.300 0.109 0.000 1.224 271 V CB -0.053 31.811 31.823 0.070 0.000 0.879 271 V HN 0.673 nan 8.190 nan 0.000 0.494 272 P HA 0.124 nan 4.420 nan 0.000 0.271 272 P C -0.287 177.100 177.300 0.146 0.000 1.216 272 P CA -0.247 62.932 63.100 0.132 0.000 0.771 272 P CB 0.340 32.093 31.700 0.089 0.000 0.864 273 D N 1.310 121.702 120.400 -0.013 0.000 2.676 273 D HA -0.034 4.605 4.640 -0.001 0.000 0.239 273 D C 0.084 176.143 176.300 -0.401 0.000 1.213 273 D CA 0.120 53.922 54.000 -0.329 0.000 0.835 273 D CB -0.559 40.142 40.800 -0.165 0.000 1.009 273 D HN 0.331 nan 8.370 nan 0.000 0.479 274 D N -0.449 119.819 120.400 -0.219 0.000 2.514 274 D HA -0.011 4.628 4.640 -0.001 0.000 0.225 274 D C 1.471 177.725 176.300 -0.078 0.000 1.159 274 D CA -0.171 53.741 54.000 -0.146 0.000 0.823 274 D CB -0.181 40.582 40.800 -0.063 0.000 1.097 274 D HN 0.266 nan 8.370 nan 0.000 0.519 275 L N -0.050 121.174 121.223 0.002 0.000 2.591 275 L HA 0.240 4.579 4.340 -0.001 0.000 0.228 275 L C 0.264 177.306 176.870 0.286 0.000 1.133 275 L CA -0.001 54.932 54.840 0.156 0.000 0.880 275 L CB -0.783 41.417 42.059 0.236 0.000 1.033 275 L HN 0.093 nan 8.230 nan 0.000 0.450 276 Y N -2.324 117.994 120.300 0.030 0.000 2.952 276 Y HA 0.684 5.233 4.550 -0.001 0.000 0.333 276 Y C -1.188 174.729 175.900 0.028 0.000 1.505 276 Y CA -1.882 56.239 58.100 0.034 0.000 1.102 276 Y CB 0.834 39.321 38.460 0.045 0.000 2.289 276 Y HN -0.271 nan 8.280 nan 0.000 0.401 277 I N 1.015 121.729 120.570 0.240 0.000 2.969 277 I HA 0.401 4.571 4.170 -0.001 0.000 0.307 277 I C -0.766 175.489 176.117 0.231 0.000 1.149 277 I CA -1.491 59.844 61.300 0.058 0.000 1.008 277 I CB 2.254 40.293 38.000 0.065 0.000 1.232 277 I HN 0.457 nan 8.210 nan 0.000 0.435 278 K N 1.523 121.996 120.400 0.121 0.000 2.149 278 K HA 0.462 4.781 4.320 -0.001 0.000 0.245 278 K C 0.238 176.904 176.600 0.110 0.000 1.024 278 K CA -0.105 56.275 56.287 0.156 0.000 0.899 278 K CB 1.083 33.630 32.500 0.079 0.000 1.038 278 K HN 0.915 nan 8.250 nan 0.000 0.496 279 G N -0.329 108.515 108.800 0.073 0.000 3.211 279 G HA2 0.348 4.307 3.960 -0.001 0.000 0.167 279 G HA3 0.348 4.307 3.960 -0.001 0.000 0.167 279 G C -1.092 173.808 174.900 -0.000 0.000 1.212 279 G CA -0.339 44.782 45.100 0.035 0.000 0.928 279 G HN 0.513 nan 8.290 nan 0.000 0.607 280 S N -1.151 114.533 115.700 -0.027 0.000 2.614 280 S HA 0.585 5.054 4.470 -0.001 0.000 0.288 280 S C 0.814 175.380 174.600 -0.057 0.000 1.137 280 S CA 0.776 58.959 58.200 -0.028 0.000 0.992 280 S CB 1.112 64.305 63.200 -0.011 0.000 1.026 280 S HN 2.497 nan 8.310 nan 0.000 0.486 281 G N 4.581 113.348 108.800 -0.054 0.000 2.690 281 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.334 281 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.334 281 G C 1.351 176.176 174.900 -0.124 0.000 1.250 281 G CA 2.089 47.148 45.100 -0.068 0.000 0.994 281 G HN 2.027 nan 8.290 nan 0.000 0.549 282 S N -0.113 115.511 115.700 -0.127 0.000 2.404 282 S HA -0.287 4.182 4.470 -0.001 0.000 0.230 282 S C 2.506 176.823 174.600 -0.472 0.000 1.046 282 S CA 4.155 62.223 58.200 -0.221 0.000 1.135 282 S CB -1.782 61.348 63.200 -0.117 0.000 1.056 282 S HN 2.264 nan 8.310 nan 0.000 0.426 283 T N -0.078 114.249 114.554 -0.379 0.000 3.118 283 T HA 0.225 4.574 4.350 -0.001 0.000 0.269 283 T C 1.262 175.808 174.700 -0.257 0.000 1.166 283 T CA 0.899 62.761 62.100 -0.396 0.000 1.073 283 T CB -0.556 68.275 68.868 -0.062 0.000 0.884 283 T HN 0.625 nan 8.240 nan 0.000 0.550 284 A N 0.431 123.121 122.820 -0.215 0.000 2.348 284 A HA 0.440 4.759 4.320 -0.001 0.000 0.224 284 A C 0.761 178.277 177.584 -0.113 0.000 1.227 284 A CA -0.497 51.474 52.037 -0.109 0.000 0.885 284 A CB -0.073 18.890 19.000 -0.062 0.000 0.933 284 A HN 0.445 nan 8.150 nan 0.000 0.506 285 N N 0.126 118.701 118.700 -0.208 0.000 2.664 285 N HA 0.406 5.145 4.740 -0.001 0.000 0.257 285 N C -1.153 174.264 175.510 -0.154 0.000 1.108 285 N CA -0.437 52.520 53.050 -0.154 0.000 0.822 285 N CB 0.404 38.815 38.487 -0.127 0.000 1.199 285 N HN 0.109 nan 8.380 nan 0.000 0.529 286 L N 1.871 123.050 121.223 -0.073 0.000 2.776 286 L HA -0.013 4.327 4.340 -0.001 0.000 0.283 286 L C 0.692 177.598 176.870 0.059 0.000 1.194 286 L CA 0.634 55.470 54.840 -0.007 0.000 0.947 286 L CB -0.212 41.804 42.059 -0.072 0.000 1.255 286 L HN 0.549 nan 8.230 nan 0.000 0.481 287 A N 3.575 126.518 122.820 0.206 0.000 2.304 287 A HA 0.427 4.747 4.320 -0.001 0.000 0.271 287 A C 0.495 178.065 177.584 -0.024 0.000 1.091 287 A CA -0.304 51.806 52.037 0.121 0.000 0.812 287 A CB 0.566 19.684 19.000 0.197 0.000 1.056 287 A HN 0.687 nan 8.150 nan 0.000 0.489 288 S N 0.433 116.097 115.700 -0.061 0.000 2.931 288 S HA -0.035 4.434 4.470 -0.001 0.000 0.342 288 S C 1.259 175.696 174.600 -0.272 0.000 1.220 288 S CA 0.667 58.789 58.200 -0.129 0.000 1.045 288 S CB -0.009 63.122 63.200 -0.115 0.000 0.758 288 S HN 1.078 nan 8.310 nan 0.000 0.508 289 S N 3.919 119.451 115.700 -0.280 0.000 2.575 289 S HA 0.156 4.625 4.470 -0.001 0.000 0.215 289 S C 0.433 174.715 174.600 -0.530 0.000 0.966 289 S CA -0.346 57.602 58.200 -0.420 0.000 0.911 289 S CB -0.464 62.650 63.200 -0.144 0.000 0.780 289 S HN 0.841 nan 8.310 nan 0.000 0.514 290 N N 2.270 120.761 118.700 -0.347 0.000 2.739 290 N HA 0.141 4.881 4.740 -0.001 0.000 0.266 290 N C -1.132 174.303 175.510 -0.124 0.000 1.168 290 N CA -0.191 52.772 53.050 -0.146 0.000 1.055 290 N CB 0.225 38.677 38.487 -0.059 0.000 1.393 290 N HN 0.360 nan 8.380 nan 0.000 0.514 291 Y N 1.503 121.859 120.300 0.094 0.000 2.281 291 Y HA 0.377 4.927 4.550 -0.001 0.000 0.337 291 Y C 0.288 176.315 175.900 0.212 0.000 1.304 291 Y CA -0.734 57.434 58.100 0.112 0.000 1.465 291 Y CB 0.385 38.870 38.460 0.040 0.000 1.350 291 Y HN 0.293 nan 8.280 nan 0.000 0.575 292 F N 0.248 120.342 119.950 0.240 0.000 2.650 292 F HA 0.757 5.283 4.527 -0.001 0.000 0.310 292 F C -3.696 172.208 175.800 0.174 0.000 1.112 292 F CA -2.517 55.591 58.000 0.181 0.000 0.986 292 F CB 2.025 41.084 39.000 0.099 0.000 1.285 292 F HN 0.205 nan 8.300 nan 0.000 0.440 293 P HA 0.358 nan 4.420 nan 0.000 0.301 293 P C -1.297 176.065 177.300 0.103 0.000 1.361 293 P CA -0.449 62.585 63.100 -0.111 0.000 0.994 293 P CB 2.600 34.273 31.700 -0.045 0.000 1.234 294 T N 0.347 114.811 114.554 -0.150 0.000 2.869 294 T HA 0.415 4.765 4.350 -0.001 0.000 0.295 294 T C -1.971 172.584 174.700 -0.241 0.000 0.987 294 T CA -1.766 60.305 62.100 -0.048 0.000 1.109 294 T CB 0.433 69.237 68.868 -0.108 0.000 0.932 294 T HN 0.314 nan 8.240 nan 0.000 0.518 295 P HA 0.347 nan 4.420 nan 0.000 0.282 295 P C -0.597 176.471 177.300 -0.387 0.000 1.287 295 P CA -0.704 62.188 63.100 -0.347 0.000 0.792 295 P CB 0.979 32.484 31.700 -0.324 0.000 1.163 296 S N -0.737 114.710 115.700 -0.421 0.000 2.385 296 S HA 0.411 4.880 4.470 -0.001 0.000 0.191 296 S C 0.008 174.556 174.600 -0.087 0.000 1.196 296 S CA -0.642 57.319 58.200 -0.397 0.000 1.178 296 S CB -0.950 61.660 63.200 -0.983 0.000 1.258 296 S HN 0.616 nan 8.310 nan 0.000 0.430 297 G N 3.160 111.965 108.800 0.007 0.000 2.472 297 G HA2 0.275 4.234 3.960 -0.001 0.000 0.291 297 G HA3 0.275 4.234 3.960 -0.001 0.000 0.291 297 G C 0.507 175.475 174.900 0.114 0.000 0.898 297 G CA 0.211 45.362 45.100 0.087 0.000 1.645 297 G HN 0.766 nan 8.290 nan 0.000 0.459 298 S N 2.555 118.373 115.700 0.196 0.000 2.687 298 S HA 0.046 4.515 4.470 -0.001 0.000 0.248 298 S C 1.241 175.902 174.600 0.102 0.000 1.390 298 S CA -0.527 57.787 58.200 0.190 0.000 0.963 298 S CB 0.098 63.386 63.200 0.147 0.000 0.957 298 S HN 0.669 nan 8.310 nan 0.000 0.584 299 M N 3.137 122.781 119.600 0.073 0.000 2.336 299 M HA 0.077 4.557 4.480 -0.001 0.000 0.371 299 M C -0.420 175.904 176.300 0.041 0.000 1.542 299 M CA -0.240 55.088 55.300 0.045 0.000 0.959 299 M CB -0.179 32.438 32.600 0.029 0.000 2.033 299 M HN 0.468 nan 8.290 nan 0.000 0.472 300 V N 3.459 123.397 119.914 0.040 0.000 2.530 300 V HA 0.506 4.625 4.120 -0.001 0.000 0.282 300 V C 0.009 176.121 176.094 0.029 0.000 1.048 300 V CA -0.417 61.907 62.300 0.040 0.000 0.997 300 V CB 1.057 32.906 31.823 0.044 0.000 0.987 300 V HN 0.892 nan 8.190 nan 0.000 0.477 301 T N 2.880 117.450 114.554 0.027 0.000 2.861 301 T HA 0.363 4.712 4.350 -0.001 0.000 0.287 301 T C 0.990 175.701 174.700 0.018 0.000 1.003 301 T CA 0.400 62.511 62.100 0.018 0.000 0.977 301 T CB 1.889 70.763 68.868 0.011 0.000 0.996 301 T HN 0.990 nan 8.240 nan 0.000 0.448 302 S N 2.899 118.607 115.700 0.015 0.000 2.353 302 S HA -0.119 4.351 4.470 -0.001 0.000 0.222 302 S C 0.911 175.516 174.600 0.008 0.000 1.035 302 S CA 1.790 59.998 58.200 0.014 0.000 1.025 302 S CB -0.568 62.637 63.200 0.008 0.000 0.902 302 S HN 0.854 nan 8.310 nan 0.000 0.440 303 D N 0.989 121.390 120.400 0.002 0.000 2.801 303 D HA 0.302 4.942 4.640 -0.001 0.000 0.249 303 D C 0.390 176.686 176.300 -0.008 0.000 1.273 303 D CA 0.695 54.693 54.000 -0.004 0.000 0.953 303 D CB -0.186 40.611 40.800 -0.006 0.000 1.134 303 D HN 0.366 nan 8.370 nan 0.000 0.449 304 A N -0.157 122.659 122.820 -0.006 0.000 2.653 304 A HA 0.002 4.321 4.320 -0.001 0.000 0.231 304 A C 0.367 177.933 177.584 -0.030 0.000 1.146 304 A CA -0.443 51.583 52.037 -0.018 0.000 1.024 304 A CB 0.349 19.342 19.000 -0.011 0.000 1.202 304 A HN -0.007 nan 8.150 nan 0.000 0.543 305 Q N 0.840 120.631 119.800 -0.015 0.000 2.247 305 Q HA 0.064 4.403 4.340 -0.001 0.000 0.288 305 Q C 0.925 176.854 176.000 -0.118 0.000 1.079 305 Q CA 0.097 55.895 55.803 -0.010 0.000 0.932 305 Q CB 0.538 29.302 28.738 0.044 0.000 1.133 305 Q HN 0.447 nan 8.270 nan 0.000 0.377 306 I N 2.148 122.539 120.570 -0.299 0.000 3.059 306 I HA -0.029 4.141 4.170 -0.001 0.000 0.270 306 I C 0.779 176.481 176.117 -0.693 0.000 1.238 306 I CA 0.679 61.613 61.300 -0.611 0.000 1.478 306 I CB -0.640 36.752 38.000 -1.013 0.000 1.097 306 I HN 0.340 nan 8.210 nan 0.000 0.455 307 F N 0.311 120.315 119.950 0.089 0.000 2.535 307 F HA 0.367 4.893 4.527 -0.001 0.000 0.367 307 F C 1.471 177.251 175.800 -0.033 0.000 1.096 307 F CA -0.823 57.218 58.000 0.069 0.000 1.088 307 F CB 0.040 39.053 39.000 0.022 0.000 1.387 307 F HN -0.185 nan 8.300 nan 0.000 0.494 308 N N -0.470 118.283 118.700 0.088 0.000 2.815 308 N HA -0.249 4.491 4.740 -0.001 0.000 0.247 308 N C -0.641 174.811 175.510 -0.095 0.000 1.030 308 N CA 0.970 53.998 53.050 -0.038 0.000 0.881 308 N CB -0.770 37.714 38.487 -0.005 0.000 1.134 308 N HN 0.487 nan 8.380 nan 0.000 0.582 309 K N 0.523 120.850 120.400 -0.121 0.000 2.270 309 K HA 0.392 4.712 4.320 -0.001 0.000 0.255 309 K C -2.693 173.662 176.600 -0.408 0.000 0.936 309 K CA -2.059 54.145 56.287 -0.137 0.000 0.809 309 K CB 1.944 34.452 32.500 0.013 0.000 1.131 309 K HN -0.143 nan 8.250 nan 0.000 0.427 310 P HA 0.084 nan 4.420 nan 0.000 0.280 310 P C -1.342 175.480 177.300 -0.797 0.000 1.244 310 P CA -0.043 62.565 63.100 -0.820 0.000 0.784 310 P CB 0.417 31.614 31.700 -0.838 0.000 0.913 311 Y N 1.170 120.994 120.300 -0.793 0.000 2.331 311 Y HA 0.330 4.879 4.550 -0.001 0.000 0.338 311 Y C 0.186 175.571 175.900 -0.858 0.000 0.992 311 Y CA -0.968 56.673 58.100 -0.764 0.000 1.121 311 Y CB 1.527 39.596 38.460 -0.651 0.000 1.184 311 Y HN 0.341 nan 8.280 nan 0.000 0.469 312 W N 5.066 126.156 121.300 -0.350 0.000 2.376 312 W HA 0.451 5.110 4.660 -0.001 0.000 0.312 312 W C -0.195 176.100 176.519 -0.372 0.000 1.060 312 W CA -0.718 56.452 57.345 -0.292 0.000 1.221 312 W CB 1.263 30.628 29.460 -0.158 0.000 1.281 312 W HN 0.501 nan 8.180 nan 0.000 0.456 313 L N 4.331 125.511 121.223 -0.072 0.000 2.685 313 L HA 0.013 4.352 4.340 -0.001 0.000 0.233 313 L C 2.258 179.040 176.870 -0.147 0.000 1.173 313 L CA -0.028 54.678 54.840 -0.223 0.000 0.961 313 L CB -0.547 41.323 42.059 -0.314 0.000 1.217 313 L HN 0.612 nan 8.230 nan 0.000 0.478 314 Q N 0.792 120.551 119.800 -0.067 0.000 2.062 314 Q HA -0.215 4.125 4.340 -0.001 0.000 0.209 314 Q C 1.240 177.202 176.000 -0.063 0.000 0.996 314 Q CA 1.369 57.141 55.803 -0.053 0.000 0.859 314 Q CB -0.124 28.587 28.738 -0.044 0.000 0.920 314 Q HN 0.464 nan 8.270 nan 0.000 0.415 315 R N -0.100 120.369 120.500 -0.051 0.000 2.893 315 R HA 0.722 5.061 4.340 -0.001 0.000 0.223 315 R C -1.453 174.834 176.300 -0.021 0.000 1.433 315 R CA 0.099 56.177 56.100 -0.036 0.000 1.063 315 R CB 1.901 32.192 30.300 -0.015 0.000 1.758 315 R HN 0.337 nan 8.270 nan 0.000 0.524 316 A N 0.781 123.612 122.820 0.017 0.000 2.246 316 A HA 0.109 4.428 4.320 -0.001 0.000 0.302 316 A C -0.675 176.960 177.584 0.086 0.000 0.999 316 A CA -0.715 51.371 52.037 0.081 0.000 0.998 316 A CB 0.502 19.538 19.000 0.059 0.000 1.183 316 A HN 0.712 nan 8.150 nan 0.000 0.351 317 Q N 1.131 120.991 119.800 0.101 0.000 2.561 317 Q HA 0.226 4.565 4.340 -0.001 0.000 0.217 317 Q C 0.866 176.907 176.000 0.068 0.000 0.980 317 Q CA 1.273 57.115 55.803 0.065 0.000 0.927 317 Q CB -0.251 28.536 28.738 0.081 0.000 0.980 317 Q HN 1.215 nan 8.270 nan 0.000 0.525 318 G N -0.825 108.059 108.800 0.140 0.000 2.356 318 G HA2 0.295 4.255 3.960 -0.001 0.000 0.298 318 G HA3 0.295 4.255 3.960 -0.001 0.000 0.298 318 G C -0.653 174.369 174.900 0.203 0.000 1.145 318 G CA -0.562 44.664 45.100 0.210 0.000 0.850 318 G HN 0.201 nan 8.290 nan 0.000 0.487 319 H N 0.930 120.127 119.070 0.213 0.000 2.252 319 H HA -0.142 4.413 4.556 -0.001 0.000 0.292 319 H C 1.894 177.388 175.328 0.277 0.000 1.082 319 H CA 1.882 58.075 56.048 0.241 0.000 1.229 319 H CB 0.045 29.974 29.762 0.279 0.000 1.353 319 H HN 0.523 nan 8.280 nan 0.000 0.488 320 N N 0.702 119.699 118.700 0.495 0.000 2.344 320 N HA -0.128 4.611 4.740 -0.001 0.000 0.236 320 N C 0.166 175.831 175.510 0.257 0.000 1.279 320 N CA 0.603 53.893 53.050 0.399 0.000 0.882 320 N CB 0.489 39.261 38.487 0.474 0.000 1.110 320 N HN 0.353 nan 8.380 nan 0.000 0.436 321 N N -0.177 118.550 118.700 0.044 0.000 2.142 321 N HA 0.243 4.982 4.740 -0.001 0.000 0.233 321 N C -0.095 175.175 175.510 -0.401 0.000 1.335 321 N CA 0.381 53.346 53.050 -0.142 0.000 0.837 321 N CB 0.408 38.841 38.487 -0.089 0.000 1.238 321 N HN 0.694 nan 8.380 nan 0.000 0.501 322 G N 0.100 108.658 108.800 -0.404 0.000 2.834 322 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.217 322 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.217 322 G C -0.533 174.257 174.900 -0.182 0.000 0.974 322 G CA -0.387 44.466 45.100 -0.412 0.000 0.826 322 G HN 0.108 nan 8.290 nan 0.000 0.584 323 I N 2.399 122.812 120.570 -0.261 0.000 2.577 323 I HA 0.164 4.333 4.170 -0.001 0.000 0.299 323 I C 1.016 176.892 176.117 -0.402 0.000 1.157 323 I CA -0.938 60.027 61.300 -0.560 0.000 1.418 323 I CB -0.927 36.276 38.000 -1.329 0.000 1.467 323 I HN 0.159 nan 8.210 nan 0.000 0.624 324 C N 5.364 124.599 119.300 -0.108 0.000 3.297 324 C HA 0.066 4.526 4.460 -0.001 0.000 0.533 324 C C 0.747 175.761 174.990 0.041 0.000 1.228 324 C CA -1.208 57.824 59.018 0.023 0.000 1.402 324 C CB -2.588 25.225 27.740 0.122 0.000 1.728 324 C HN 0.668 nan 8.230 nan 0.000 0.637 325 W N 0.485 121.823 121.300 0.063 0.000 2.560 325 W HA 0.134 4.794 4.660 -0.001 0.000 0.338 325 W C 1.387 177.840 176.519 -0.110 0.000 0.931 325 W CA 0.944 58.257 57.345 -0.053 0.000 1.018 325 W CB -0.308 29.101 29.460 -0.085 0.000 1.056 325 W HN 0.879 nan 8.180 nan 0.000 0.560 326 G N 2.400 111.275 108.800 0.126 0.000 2.184 326 G HA2 -0.431 3.529 3.960 -0.001 0.000 0.264 326 G HA3 -0.431 3.529 3.960 -0.001 0.000 0.264 326 G C 0.377 175.291 174.900 0.025 0.000 0.975 326 G CA 0.113 45.218 45.100 0.009 0.000 0.642 326 G HN 0.881 nan 8.290 nan 0.000 0.536 327 N N -1.072 117.662 118.700 0.057 0.000 2.815 327 N HA -0.144 4.595 4.740 -0.001 0.000 0.249 327 N C 0.034 175.485 175.510 -0.097 0.000 1.114 327 N CA 1.880 54.935 53.050 0.008 0.000 0.717 327 N CB -1.287 37.212 38.487 0.020 0.000 1.074 327 N HN 0.898 nan 8.380 nan 0.000 0.555 328 Q N -0.016 119.707 119.800 -0.129 0.000 2.356 328 Q HA 0.713 5.052 4.340 -0.001 0.000 0.270 328 Q C -0.666 175.146 176.000 -0.312 0.000 1.058 328 Q CA -0.469 55.161 55.803 -0.289 0.000 0.802 328 Q CB 2.580 31.068 28.738 -0.418 0.000 1.303 328 Q HN 0.224 nan 8.270 nan 0.000 0.444 329 L N 3.225 124.225 121.223 -0.371 0.000 2.409 329 L HA 0.523 4.862 4.340 -0.001 0.000 0.272 329 L C -1.503 175.275 176.870 -0.152 0.000 0.980 329 L CA -0.510 54.215 54.840 -0.191 0.000 0.826 329 L CB 1.280 43.325 42.059 -0.023 0.000 1.268 329 L HN 0.694 nan 8.230 nan 0.000 0.407 330 F N 4.659 124.595 119.950 -0.024 0.000 2.313 330 F HA 0.335 4.861 4.527 -0.001 0.000 0.369 330 F C 0.057 175.887 175.800 0.050 0.000 1.109 330 F CA -1.047 56.920 58.000 -0.055 0.000 1.132 330 F CB 1.491 40.374 39.000 -0.195 0.000 1.291 330 F HN 0.080 nan 8.300 nan 0.000 0.496 331 V N 2.770 122.902 119.914 0.364 0.000 2.350 331 V HA 0.265 4.384 4.120 -0.001 0.000 0.276 331 V C -0.049 176.235 176.094 0.316 0.000 1.028 331 V CA -0.576 61.907 62.300 0.305 0.000 0.860 331 V CB 1.230 33.205 31.823 0.254 0.000 0.990 331 V HN 0.675 nan 8.190 nan 0.000 0.453 332 T N 3.542 118.246 114.554 0.249 0.000 2.770 332 T HA 0.711 5.061 4.350 -0.001 0.000 0.283 332 T C -0.368 174.494 174.700 0.271 0.000 0.988 332 T CA -0.600 61.648 62.100 0.247 0.000 0.957 332 T CB 1.621 70.604 68.868 0.191 0.000 0.930 332 T HN 0.282 nan 8.240 nan 0.000 0.443 333 V N 3.233 123.313 119.914 0.276 0.000 2.769 333 V HA 0.732 4.851 4.120 -0.001 0.000 0.312 333 V C -0.561 175.605 176.094 0.121 0.000 1.061 333 V CA -0.780 61.663 62.300 0.238 0.000 0.931 333 V CB 2.240 34.186 31.823 0.205 0.000 1.010 333 V HN 0.788 nan 8.190 nan 0.000 0.433 334 V N 2.772 122.730 119.914 0.074 0.000 2.612 334 V HA 0.532 4.652 4.120 -0.001 0.000 0.301 334 V C -1.501 174.624 176.094 0.051 0.000 1.059 334 V CA -0.410 61.848 62.300 -0.069 0.000 0.886 334 V CB 2.028 33.707 31.823 -0.240 0.000 1.007 334 V HN 0.992 nan 8.190 nan 0.000 0.426 335 D N 2.260 122.658 120.400 -0.004 0.000 2.602 335 D HA 0.454 5.093 4.640 -0.001 0.000 0.245 335 D C 0.706 177.021 176.300 0.025 0.000 1.325 335 D CA 0.269 54.272 54.000 0.004 0.000 0.952 335 D CB 2.325 42.988 40.800 -0.228 0.000 1.317 335 D HN 0.609 nan 8.370 nan 0.000 0.577 336 T N -0.969 113.623 114.554 0.063 0.000 3.015 336 T HA -0.026 4.324 4.350 -0.001 0.000 0.250 336 T C 1.598 176.339 174.700 0.069 0.000 1.057 336 T CA 0.841 62.980 62.100 0.066 0.000 1.066 336 T CB -0.293 68.617 68.868 0.069 0.000 0.959 336 T HN 0.322 nan 8.240 nan 0.000 0.488 337 T N 1.042 115.640 114.554 0.074 0.000 3.118 337 T HA 0.033 4.382 4.350 -0.001 0.000 0.269 337 T C 0.832 175.560 174.700 0.046 0.000 1.166 337 T CA 0.358 62.497 62.100 0.065 0.000 1.073 337 T CB -0.551 68.368 68.868 0.085 0.000 0.884 337 T HN 0.533 nan 8.240 nan 0.000 0.550 338 R N 0.525 121.051 120.500 0.044 0.000 2.684 338 R HA 0.289 4.628 4.340 -0.001 0.000 0.252 338 R C 0.490 176.872 176.300 0.136 0.000 1.628 338 R CA 0.038 56.166 56.100 0.047 0.000 1.622 338 R CB 0.778 31.072 30.300 -0.010 0.000 1.418 338 R HN 0.357 nan 8.270 nan 0.000 0.697 339 S N -1.750 114.020 115.700 0.117 0.000 2.523 339 S HA 0.001 4.471 4.470 -0.001 0.000 0.217 339 S C 0.795 175.265 174.600 -0.217 0.000 0.996 339 S CA -0.329 57.917 58.200 0.077 0.000 0.921 339 S CB 0.381 63.604 63.200 0.038 0.000 0.829 339 S HN 0.214 nan 8.310 nan 0.000 0.495 340 T N 5.157 119.654 114.554 -0.096 0.000 2.609 340 T HA 0.041 4.390 4.350 -0.001 0.000 0.257 340 T C -0.277 174.235 174.700 -0.312 0.000 1.032 340 T CA 0.188 62.201 62.100 -0.145 0.000 1.244 340 T CB -0.896 67.953 68.868 -0.031 0.000 1.003 340 T HN 0.621 nan 8.240 nan 0.000 0.507 341 N N 3.814 122.281 118.700 -0.388 0.000 2.422 341 N HA 0.424 5.164 4.740 -0.001 0.000 0.266 341 N C 0.179 175.612 175.510 -0.128 0.000 1.007 341 N CA -0.851 51.996 53.050 -0.339 0.000 0.941 341 N CB 0.623 38.871 38.487 -0.399 0.000 1.115 341 N HN 0.624 nan 8.380 nan 0.000 0.492 342 M N -0.306 119.264 119.600 -0.050 0.000 2.274 342 M HA 0.536 5.015 4.480 -0.001 0.000 0.344 342 M C -0.700 175.610 176.300 0.018 0.000 1.161 342 M CA -0.465 54.834 55.300 -0.003 0.000 1.126 342 M CB 0.977 33.590 32.600 0.022 0.000 1.522 342 M HN 0.445 nan 8.290 nan 0.000 0.461 343 S N 3.469 119.191 115.700 0.037 0.000 2.664 343 S HA 0.942 5.411 4.470 -0.001 0.000 0.304 343 S C -0.489 174.167 174.600 0.094 0.000 1.099 343 S CA -1.074 57.168 58.200 0.070 0.000 1.003 343 S CB 1.855 65.095 63.200 0.067 0.000 1.092 343 S HN 0.848 nan 8.310 nan 0.000 0.525 344 L N -1.457 119.857 121.223 0.153 0.000 2.545 344 L HA 0.852 5.191 4.340 -0.001 0.000 0.258 344 L C -1.193 175.848 176.870 0.285 0.000 0.942 344 L CA -1.090 53.853 54.840 0.172 0.000 0.855 344 L CB 1.352 43.491 42.059 0.133 0.000 1.374 344 L HN 1.007 nan 8.230 nan 0.000 0.411 345 C N 1.287 120.737 119.300 0.249 0.000 2.446 345 C HA 0.976 5.436 4.460 -0.001 0.000 0.329 345 C C 0.429 175.604 174.990 0.309 0.000 1.166 345 C CA 0.203 59.403 59.018 0.304 0.000 1.341 345 C CB 0.490 28.368 27.740 0.230 0.000 1.970 345 C HN 1.254 nan 8.230 nan 0.000 0.452 346 A N 3.434 126.446 122.820 0.319 0.000 2.281 346 A HA 0.993 5.312 4.320 -0.001 0.000 0.329 346 A C 0.217 177.895 177.584 0.156 0.000 1.122 346 A CA 0.047 52.211 52.037 0.212 0.000 0.850 346 A CB 1.014 20.125 19.000 0.184 0.000 1.207 346 A HN 2.273 nan 8.150 nan 0.000 0.495 347 A N -0.360 122.456 122.820 -0.007 0.000 2.350 347 A HA 0.678 4.998 4.320 -0.001 0.000 0.318 347 A C 0.302 177.772 177.584 -0.190 0.000 1.132 347 A CA -0.298 51.559 52.037 -0.301 0.000 0.811 347 A CB 0.784 19.373 19.000 -0.685 0.000 1.313 347 A HN 1.280 nan 8.150 nan 0.000 0.454 348 I N -0.062 120.351 120.570 -0.262 0.000 3.854 348 I HA 0.174 4.344 4.170 -0.001 0.000 0.312 348 I C 0.226 176.260 176.117 -0.138 0.000 1.273 348 I CA 1.072 62.286 61.300 -0.143 0.000 1.298 348 I CB 0.246 38.173 38.000 -0.122 0.000 1.071 348 I HN 0.659 nan 8.210 nan 0.000 0.428 349 S N -1.786 113.799 115.700 -0.192 0.000 2.548 349 S HA 0.167 4.637 4.470 -0.001 0.000 0.278 349 S C 0.441 174.952 174.600 -0.147 0.000 1.150 349 S CA -0.085 58.035 58.200 -0.135 0.000 0.907 349 S CB 0.610 63.748 63.200 -0.103 0.000 1.108 349 S HN 0.174 nan 8.310 nan 0.000 0.459 350 T N -0.083 114.415 114.554 -0.094 0.000 3.227 350 T HA 0.071 4.421 4.350 -0.001 0.000 0.257 350 T C 1.380 176.052 174.700 -0.046 0.000 1.162 350 T CA 1.031 63.090 62.100 -0.068 0.000 1.051 350 T CB -0.627 68.221 68.868 -0.033 0.000 0.953 350 T HN 0.482 nan 8.240 nan 0.000 0.535 351 S N 1.392 117.060 115.700 -0.054 0.000 2.404 351 S HA -0.020 4.449 4.470 -0.001 0.000 0.216 351 S C 0.660 175.246 174.600 -0.025 0.000 1.039 351 S CA 0.614 58.793 58.200 -0.035 0.000 1.062 351 S CB -0.528 62.648 63.200 -0.039 0.000 1.046 351 S HN 0.638 nan 8.310 nan 0.000 0.415 352 E N 1.211 121.390 120.200 -0.035 0.000 3.120 352 E HA -0.117 4.233 4.350 -0.001 0.000 0.292 352 E C 0.603 177.215 176.600 0.019 0.000 0.914 352 E CA 1.114 57.507 56.400 -0.012 0.000 0.988 352 E CB 0.087 29.768 29.700 -0.030 0.000 0.994 352 E HN 0.574 nan 8.360 nan 0.000 0.493 353 T N -1.664 112.910 114.554 0.032 0.000 3.252 353 T HA 0.273 4.623 4.350 -0.001 0.000 0.286 353 T C -0.175 174.565 174.700 0.066 0.000 1.013 353 T CA -0.135 61.993 62.100 0.047 0.000 0.914 353 T CB -0.173 68.716 68.868 0.035 0.000 1.131 353 T HN 0.433 nan 8.240 nan 0.000 0.529 354 T N -0.927 113.674 114.554 0.079 0.000 2.956 354 T HA 0.533 4.883 4.350 -0.001 0.000 0.312 354 T C -0.985 173.812 174.700 0.161 0.000 1.151 354 T CA -0.955 61.214 62.100 0.115 0.000 1.024 354 T CB 1.510 70.433 68.868 0.091 0.000 1.140 354 T HN 0.211 nan 8.240 nan 0.000 0.473 355 Y N 2.138 122.499 120.300 0.102 0.000 2.610 355 Y HA 0.427 4.976 4.550 -0.001 0.000 0.332 355 Y C 0.140 176.124 175.900 0.141 0.000 1.201 355 Y CA 0.375 58.563 58.100 0.146 0.000 1.465 355 Y CB 0.501 38.987 38.460 0.044 0.000 1.283 355 Y HN 0.617 nan 8.280 nan 0.000 0.563 356 K N 5.400 125.658 120.400 -0.237 0.000 2.565 356 K HA 0.092 4.412 4.320 -0.001 0.000 0.249 356 K C 0.108 176.597 176.600 -0.185 0.000 0.958 356 K CA -0.770 55.459 56.287 -0.096 0.000 0.806 356 K CB 1.589 34.072 32.500 -0.027 0.000 1.194 356 K HN 0.727 nan 8.250 nan 0.000 0.434 357 N N 0.535 119.273 118.700 0.063 0.000 2.242 357 N HA -0.180 4.560 4.740 -0.001 0.000 0.191 357 N C 0.864 176.428 175.510 0.090 0.000 1.005 357 N CA 2.054 55.196 53.050 0.154 0.000 0.877 357 N CB 0.171 38.773 38.487 0.192 0.000 0.983 357 N HN 0.632 nan 8.380 nan 0.000 0.439 358 T N -4.267 110.313 114.554 0.044 0.000 3.182 358 T HA 0.223 4.572 4.350 -0.001 0.000 0.277 358 T C 0.731 175.420 174.700 -0.019 0.000 1.013 358 T CA -0.497 61.617 62.100 0.024 0.000 0.900 358 T CB -0.034 68.839 68.868 0.009 0.000 1.098 358 T HN -0.002 nan 8.240 nan 0.000 0.543 359 N N 0.837 119.516 118.700 -0.035 0.000 2.336 359 N HA 0.228 4.967 4.740 -0.001 0.000 0.189 359 N C -1.019 174.175 175.510 -0.527 0.000 1.113 359 N CA -0.512 52.394 53.050 -0.241 0.000 0.858 359 N CB -0.091 38.212 38.487 -0.306 0.000 0.970 359 N HN 0.421 nan 8.380 nan 0.000 0.471 360 F N -0.083 119.810 119.950 -0.095 0.000 2.581 360 F HA 0.433 4.959 4.527 -0.001 0.000 0.311 360 F C -0.047 175.735 175.800 -0.031 0.000 1.113 360 F CA -0.974 56.999 58.000 -0.044 0.000 0.935 360 F CB 1.741 40.712 39.000 -0.049 0.000 1.232 360 F HN -0.401 nan 8.300 nan 0.000 0.445 361 K N 2.722 123.214 120.400 0.153 0.000 2.293 361 K HA 0.314 4.634 4.320 -0.001 0.000 0.267 361 K C -0.650 175.888 176.600 -0.104 0.000 1.010 361 K CA -0.749 55.529 56.287 -0.015 0.000 0.875 361 K CB 1.301 33.787 32.500 -0.024 0.000 1.106 361 K HN 0.493 nan 8.250 nan 0.000 0.450 362 E N 2.397 122.494 120.200 -0.171 0.000 2.301 362 E HA 0.214 4.564 4.350 -0.001 0.000 0.275 362 E C -0.731 175.659 176.600 -0.350 0.000 1.030 362 E CA -0.084 56.253 56.400 -0.106 0.000 0.852 362 E CB 0.846 30.529 29.700 -0.028 0.000 1.060 362 E HN 0.343 nan 8.360 nan 0.000 0.401 363 Y N 0.371 120.731 120.300 0.098 0.000 2.605 363 Y HA 0.494 5.044 4.550 -0.001 0.000 0.343 363 Y C -0.109 175.836 175.900 0.075 0.000 1.036 363 Y CA -0.915 57.252 58.100 0.112 0.000 1.065 363 Y CB 1.607 40.130 38.460 0.105 0.000 1.288 363 Y HN 0.223 nan 8.280 nan 0.000 0.481 364 L N 3.419 124.779 121.223 0.228 0.000 2.376 364 L HA 0.634 4.973 4.340 -0.001 0.000 0.275 364 L C -0.832 175.991 176.870 -0.080 0.000 0.987 364 L CA -0.796 54.059 54.840 0.025 0.000 0.828 364 L CB 1.306 43.318 42.059 -0.078 0.000 1.249 364 L HN 0.532 nan 8.230 nan 0.000 0.409 365 R N 1.551 122.042 120.500 -0.015 0.000 2.750 365 R HA 0.481 4.820 4.340 -0.001 0.000 0.281 365 R C -1.221 175.105 176.300 0.044 0.000 0.972 365 R CA -0.785 55.317 56.100 0.003 0.000 0.912 365 R CB 2.412 32.738 30.300 0.044 0.000 1.187 365 R HN 0.645 nan 8.270 nan 0.000 0.464 366 H N 0.018 119.049 119.070 -0.065 0.000 2.658 366 H HA 0.454 5.009 4.556 -0.001 0.000 0.337 366 H C -0.411 174.904 175.328 -0.021 0.000 1.009 366 H CA -0.624 55.392 56.048 -0.055 0.000 1.231 366 H CB 1.734 31.444 29.762 -0.086 0.000 1.508 366 H HN 0.810 nan 8.280 nan 0.000 0.517 367 G N 2.784 111.636 108.800 0.086 0.000 2.502 367 G HA2 0.378 4.337 3.960 -0.001 0.000 0.305 367 G HA3 0.378 4.337 3.960 -0.001 0.000 0.305 367 G C -0.875 173.902 174.900 -0.206 0.000 1.190 367 G CA -0.459 44.607 45.100 -0.057 0.000 0.933 367 G HN 0.640 nan 8.290 nan 0.000 0.503 368 E N -0.257 119.875 120.200 -0.112 0.000 2.307 368 E HA 0.151 4.500 4.350 -0.001 0.000 0.280 368 E C -1.450 175.117 176.600 -0.055 0.000 0.900 368 E CA -0.421 55.895 56.400 -0.139 0.000 0.790 368 E CB 2.561 32.224 29.700 -0.063 0.000 1.261 368 E HN 0.671 nan 8.360 nan 0.000 0.405 369 E N 3.755 123.846 120.200 -0.181 0.000 2.155 369 E HA 0.360 4.710 4.350 -0.001 0.000 0.264 369 E C -1.336 175.104 176.600 -0.267 0.000 0.886 369 E CA -0.372 55.966 56.400 -0.103 0.000 0.752 369 E CB 0.952 30.606 29.700 -0.077 0.000 1.133 369 E HN 0.363 nan 8.360 nan 0.000 0.414 370 Y N 2.273 122.545 120.300 -0.047 0.000 2.568 370 Y HA 0.432 4.981 4.550 -0.001 0.000 0.327 370 Y C -0.369 175.432 175.900 -0.165 0.000 1.163 370 Y CA -0.460 57.549 58.100 -0.152 0.000 1.219 370 Y CB 1.984 40.306 38.460 -0.230 0.000 1.308 370 Y HN 0.580 nan 8.280 nan 0.000 0.503 371 D N 1.079 121.467 120.400 -0.020 0.000 2.369 371 D HA 0.302 4.941 4.640 -0.001 0.000 0.212 371 D C -1.797 174.379 176.300 -0.207 0.000 1.326 371 D CA -0.165 53.774 54.000 -0.101 0.000 0.933 371 D CB 0.663 41.411 40.800 -0.087 0.000 1.516 371 D HN 0.344 nan 8.370 nan 0.000 0.557 372 L N 2.844 123.919 121.223 -0.247 0.000 2.343 372 L HA 0.601 4.941 4.340 -0.001 0.000 0.275 372 L C 0.119 176.784 176.870 -0.341 0.000 1.056 372 L CA -0.704 53.911 54.840 -0.376 0.000 0.804 372 L CB 1.440 43.360 42.059 -0.233 0.000 1.203 372 L HN 0.353 nan 8.230 nan 0.000 0.440 373 Q N 2.477 121.865 119.800 -0.687 0.000 2.421 373 Q HA 0.668 5.008 4.340 -0.001 0.000 0.280 373 Q C -1.512 173.973 176.000 -0.858 0.000 1.085 373 Q CA -0.600 54.893 55.803 -0.516 0.000 0.807 373 Q CB 3.253 31.744 28.738 -0.413 0.000 1.405 373 Q HN 0.354 nan 8.270 nan 0.000 0.419 374 F N 0.141 119.720 119.950 -0.617 0.000 2.741 374 F HA 0.550 5.076 4.527 -0.001 0.000 0.313 374 F C -0.804 174.487 175.800 -0.848 0.000 1.153 374 F CA -0.927 56.625 58.000 -0.748 0.000 0.931 374 F CB 1.406 39.907 39.000 -0.831 0.000 1.335 374 F HN 0.268 nan 8.300 nan 0.000 0.460 375 I N 2.401 122.515 120.570 -0.759 0.000 2.563 375 I HA 0.298 4.467 4.170 -0.001 0.000 0.285 375 I C -1.496 174.272 176.117 -0.580 0.000 1.123 375 I CA -0.552 60.422 61.300 -0.544 0.000 1.059 375 I CB 1.478 39.113 38.000 -0.609 0.000 1.229 375 I HN 0.376 nan 8.210 nan 0.000 0.442 376 F N 4.134 124.105 119.950 0.035 0.000 2.443 376 F HA 0.474 5.001 4.527 -0.001 0.000 0.335 376 F C 0.658 176.756 175.800 0.496 0.000 1.104 376 F CA -0.612 57.538 58.000 0.250 0.000 1.013 376 F CB 1.515 40.684 39.000 0.281 0.000 1.136 376 F HN 0.372 nan 8.300 nan 0.000 0.470 377 Q N 3.885 124.010 119.800 0.541 0.000 2.325 377 Q HA 0.425 4.764 4.340 -0.001 0.000 0.262 377 Q C -1.105 174.901 176.000 0.009 0.000 0.968 377 Q CA -1.186 54.727 55.803 0.183 0.000 0.877 377 Q CB 1.598 30.397 28.738 0.101 0.000 1.253 377 Q HN 0.734 nan 8.270 nan 0.000 0.448 378 L N 4.010 125.116 121.223 -0.195 0.000 2.456 378 L HA 0.254 4.593 4.340 -0.001 0.000 0.272 378 L C -1.181 175.438 176.870 -0.420 0.000 1.189 378 L CA 0.542 55.067 54.840 -0.524 0.000 0.846 378 L CB 0.628 42.302 42.059 -0.642 0.000 1.111 378 L HN 0.880 nan 8.230 nan 0.000 0.475 379 C N 3.159 122.212 119.300 -0.411 0.000 3.235 379 C HA 0.896 5.355 4.460 -0.001 0.000 0.351 379 C C -0.534 174.316 174.990 -0.232 0.000 1.520 379 C CA -0.901 57.958 59.018 -0.264 0.000 1.474 379 C CB 2.157 29.793 27.740 -0.174 0.000 2.019 379 C HN 0.984 nan 8.230 nan 0.000 0.446 380 K N 0.095 120.422 120.400 -0.121 0.000 2.572 380 K HA 0.792 5.111 4.320 -0.001 0.000 0.263 380 K C -2.102 174.506 176.600 0.012 0.000 0.932 380 K CA -0.428 55.813 56.287 -0.077 0.000 0.838 380 K CB 0.993 33.462 32.500 -0.053 0.000 1.366 380 K HN 0.640 nan 8.250 nan 0.000 0.425 381 I N 2.513 123.101 120.570 0.031 0.000 2.497 381 I HA 0.172 4.342 4.170 -0.001 0.000 0.284 381 I C -0.326 175.812 176.117 0.035 0.000 1.060 381 I CA -0.836 60.523 61.300 0.098 0.000 1.071 381 I CB 2.365 40.507 38.000 0.236 0.000 1.216 381 I HN 0.845 nan 8.210 nan 0.000 0.442 382 T N 4.010 118.599 114.554 0.059 0.000 2.916 382 T HA 0.419 4.769 4.350 -0.001 0.000 0.303 382 T C -0.294 174.432 174.700 0.044 0.000 1.025 382 T CA -0.421 61.700 62.100 0.035 0.000 1.142 382 T CB 0.805 69.695 68.868 0.037 0.000 0.947 382 T HN 0.259 nan 8.240 nan 0.000 0.544 383 L N 4.601 125.827 121.223 0.006 0.000 2.314 383 L HA 0.330 4.670 4.340 -0.001 0.000 0.275 383 L C 1.361 178.251 176.870 0.034 0.000 1.068 383 L CA -0.223 54.629 54.840 0.019 0.000 0.894 383 L CB 0.359 42.400 42.059 -0.031 0.000 1.275 383 L HN 1.100 nan 8.230 nan 0.000 0.432 384 T N -0.763 113.823 114.554 0.053 0.000 2.994 384 T HA 0.591 4.941 4.350 -0.001 0.000 0.322 384 T C 1.302 176.026 174.700 0.041 0.000 1.199 384 T CA 0.162 62.287 62.100 0.041 0.000 0.945 384 T CB 0.724 69.617 68.868 0.041 0.000 1.754 384 T HN 0.325 nan 8.240 nan 0.000 0.571 385 A N 0.726 123.565 122.820 0.031 0.000 1.843 385 A HA 0.109 4.429 4.320 -0.001 0.000 0.213 385 A C 2.004 179.607 177.584 0.033 0.000 1.239 385 A CA 1.270 53.322 52.037 0.025 0.000 0.606 385 A CB -1.229 17.781 19.000 0.016 0.000 0.903 385 A HN 0.809 nan 8.150 nan 0.000 0.455 386 D N -0.352 120.066 120.400 0.029 0.000 2.310 386 D HA -0.027 4.613 4.640 -0.001 0.000 0.212 386 D C 1.832 178.142 176.300 0.017 0.000 0.965 386 D CA 0.721 54.736 54.000 0.025 0.000 0.879 386 D CB -0.201 40.605 40.800 0.010 0.000 0.921 386 D HN 0.176 nan 8.370 nan 0.000 0.510 387 V N 0.586 120.523 119.914 0.039 0.000 2.239 387 V HA -0.205 3.914 4.120 -0.001 0.000 0.236 387 V C 2.420 178.574 176.094 0.099 0.000 1.040 387 V CA 1.384 63.722 62.300 0.064 0.000 0.996 387 V CB -0.511 31.387 31.823 0.125 0.000 0.640 387 V HN 0.121 nan 8.190 nan 0.000 0.456 388 M N 0.556 120.221 119.600 0.108 0.000 2.195 388 M HA -0.286 4.193 4.480 -0.001 0.000 0.254 388 M C 2.128 178.499 176.300 0.117 0.000 1.083 388 M CA 2.688 58.063 55.300 0.124 0.000 1.069 388 M CB -0.476 32.177 32.600 0.088 0.000 1.364 388 M HN 0.759 nan 8.290 nan 0.000 0.403 389 T N -2.502 112.105 114.554 0.088 0.000 2.777 389 T HA -0.206 4.143 4.350 -0.001 0.000 0.266 389 T C 1.538 176.322 174.700 0.139 0.000 1.040 389 T CA 1.427 63.578 62.100 0.085 0.000 1.141 389 T CB -0.889 68.014 68.868 0.058 0.000 0.868 389 T HN 0.584 nan 8.240 nan 0.000 0.444 390 Y N 2.692 122.967 120.300 -0.041 0.000 2.084 390 Y HA 0.095 4.645 4.550 -0.001 0.000 0.279 390 Y C 2.230 178.033 175.900 -0.162 0.000 1.119 390 Y CA 1.124 59.163 58.100 -0.102 0.000 1.101 390 Y CB -0.484 37.837 38.460 -0.233 0.000 0.989 390 Y HN 0.109 nan 8.280 nan 0.000 0.484 391 I N 0.336 120.900 120.570 -0.010 0.000 2.550 391 I HA -0.436 3.734 4.170 -0.001 0.000 0.265 391 I C 2.291 178.282 176.117 -0.211 0.000 1.156 391 I CA 1.913 63.098 61.300 -0.192 0.000 1.431 391 I CB -0.856 37.157 38.000 0.020 0.000 1.110 391 I HN 0.520 nan 8.210 nan 0.000 0.455 392 H N 0.833 119.808 119.070 -0.158 0.000 2.379 392 H HA 0.064 4.619 4.556 -0.001 0.000 0.308 392 H C 2.253 177.465 175.328 -0.193 0.000 1.047 392 H CA 1.236 57.197 56.048 -0.147 0.000 1.371 392 H CB 0.306 30.032 29.762 -0.061 0.000 1.449 392 H HN 0.137 nan 8.280 nan 0.000 0.564 393 S N 0.708 116.409 115.700 0.002 0.000 2.474 393 S HA -0.076 4.393 4.470 -0.001 0.000 0.235 393 S C 2.082 176.535 174.600 -0.244 0.000 0.997 393 S CA 0.917 59.091 58.200 -0.044 0.000 0.949 393 S CB -0.021 63.194 63.200 0.025 0.000 0.766 393 S HN 0.415 nan 8.310 nan 0.000 0.517 394 M N 0.928 120.224 119.600 -0.506 0.000 2.184 394 M HA 0.095 4.574 4.480 -0.001 0.000 0.244 394 M C 0.403 176.246 176.300 -0.761 0.000 1.141 394 M CA 1.206 55.916 55.300 -0.983 0.000 1.161 394 M CB 0.154 31.972 32.600 -1.302 0.000 1.237 394 M HN 0.130 nan 8.290 nan 0.000 0.444 395 N N 0.182 118.456 118.700 -0.710 0.000 2.617 395 N HA 0.116 4.855 4.740 -0.001 0.000 0.263 395 N C 0.619 175.807 175.510 -0.536 0.000 1.074 395 N CA 0.073 52.777 53.050 -0.577 0.000 0.841 395 N CB 0.961 39.076 38.487 -0.620 0.000 1.221 395 N HN 0.352 nan 8.380 nan 0.000 0.529 396 S N 1.448 116.837 115.700 -0.519 0.000 2.414 396 S HA -0.344 4.125 4.470 -0.001 0.000 0.241 396 S C 1.937 176.330 174.600 -0.345 0.000 1.079 396 S CA 2.416 60.294 58.200 -0.536 0.000 1.087 396 S CB -1.201 61.688 63.200 -0.519 0.000 0.927 396 S HN 0.729 nan 8.310 nan 0.000 0.456 397 T N 1.170 115.542 114.554 -0.305 0.000 2.759 397 T HA -0.086 4.263 4.350 -0.001 0.000 0.269 397 T C 1.748 176.273 174.700 -0.292 0.000 1.042 397 T CA 1.205 63.166 62.100 -0.232 0.000 1.140 397 T CB -0.777 67.972 68.868 -0.199 0.000 0.864 397 T HN 0.297 nan 8.240 nan 0.000 0.455 398 I N 2.399 122.682 120.570 -0.478 0.000 2.094 398 I HA -0.219 3.951 4.170 -0.001 0.000 0.236 398 I C 2.594 178.247 176.117 -0.774 0.000 1.016 398 I CA 1.248 62.043 61.300 -0.841 0.000 1.294 398 I CB -1.592 35.765 38.000 -1.072 0.000 1.006 398 I HN 0.328 nan 8.210 nan 0.000 0.397 399 L N -0.022 121.027 121.223 -0.290 0.000 1.944 399 L HA -0.259 4.081 4.340 -0.001 0.000 0.218 399 L C 2.480 179.483 176.870 0.221 0.000 1.075 399 L CA 1.777 56.793 54.840 0.294 0.000 0.767 399 L CB -1.050 41.132 42.059 0.205 0.000 0.890 399 L HN 0.277 nan 8.230 nan 0.000 0.434 400 E N 0.283 120.520 120.200 0.062 0.000 2.082 400 E HA -0.302 4.048 4.350 -0.001 0.000 0.215 400 E C 1.904 178.552 176.600 0.080 0.000 1.048 400 E CA 1.974 58.408 56.400 0.056 0.000 0.869 400 E CB -0.355 29.339 29.700 -0.010 0.000 0.773 400 E HN 0.504 nan 8.360 nan 0.000 0.466 401 D N -0.007 120.399 120.400 0.009 0.000 2.106 401 D HA -0.161 4.478 4.640 -0.001 0.000 0.191 401 D C 0.282 176.673 176.300 0.151 0.000 0.997 401 D CA 0.571 54.584 54.000 0.021 0.000 0.834 401 D CB -0.416 40.338 40.800 -0.076 0.000 0.956 401 D HN 0.189 nan 8.370 nan 0.000 0.448 402 W N 2.607 123.930 121.300 0.039 0.000 2.639 402 W HA -0.034 4.625 4.660 -0.001 0.000 0.361 402 W C 1.081 177.631 176.519 0.051 0.000 1.204 402 W CA 0.261 57.638 57.345 0.054 0.000 1.221 402 W CB -1.445 28.051 29.460 0.060 0.000 1.261 402 W HN 0.018 nan 8.180 nan 0.000 0.586 439 D N 2.991 123.414 120.400 0.038 0.000 2.346 439 D HA 0.130 4.770 4.640 -0.001 0.000 0.260 439 D C -1.362 175.000 176.300 0.102 0.000 1.252 439 D CA -1.735 52.308 54.000 0.071 0.000 0.895 439 D CB 1.197 42.050 40.800 0.088 0.000 1.097 439 D HN 0.124 nan 8.370 nan 0.000 0.489 440 P HA -0.097 nan 4.420 nan 0.000 0.228 440 P C 0.528 178.010 177.300 0.303 0.000 1.151 440 P CA 0.757 63.947 63.100 0.151 0.000 0.770 440 P CB 0.246 32.006 31.700 0.101 0.000 0.786 441 L N -1.287 120.127 121.223 0.317 0.000 3.141 441 L HA 0.317 4.657 4.340 -0.001 0.000 0.267 441 L C 1.881 178.970 176.870 0.366 0.000 1.281 441 L CA -0.267 54.880 54.840 0.511 0.000 1.037 441 L CB 0.213 42.562 42.059 0.483 0.000 1.407 441 L HN -0.192 nan 8.230 nan 0.000 0.566 442 K N 1.454 121.979 120.400 0.208 0.000 2.116 442 K HA -0.032 4.287 4.320 -0.001 0.000 0.203 442 K C 1.805 178.383 176.600 -0.035 0.000 1.052 442 K CA 1.042 57.375 56.287 0.076 0.000 0.952 442 K CB 0.336 32.853 32.500 0.028 0.000 0.729 442 K HN 0.065 nan 8.250 nan 0.000 0.446 443 K N 0.105 120.400 120.400 -0.175 0.000 2.522 443 K HA 0.037 4.357 4.320 -0.001 0.000 0.194 443 K C -0.490 175.632 176.600 -0.797 0.000 1.026 443 K CA 0.189 56.187 56.287 -0.481 0.000 1.119 443 K CB -0.209 31.963 32.500 -0.547 0.000 0.856 443 K HN 0.120 nan 8.250 nan 0.000 0.513 444 Y N 0.187 120.400 120.300 -0.145 0.000 2.536 444 Y HA 0.335 4.884 4.550 -0.001 0.000 0.347 444 Y C 0.120 175.630 175.900 -0.650 0.000 1.000 444 Y CA -1.123 56.742 58.100 -0.393 0.000 1.051 444 Y CB 1.901 40.150 38.460 -0.352 0.000 1.259 444 Y HN -0.232 nan 8.280 nan 0.000 0.468 445 T N 3.081 117.205 114.554 -0.718 0.000 2.770 445 T HA 0.653 5.002 4.350 -0.001 0.000 0.283 445 T C -1.052 173.054 174.700 -0.991 0.000 0.988 445 T CA -0.604 61.075 62.100 -0.701 0.000 0.957 445 T CB -0.073 68.584 68.868 -0.350 0.000 0.930 445 T HN 0.333 nan 8.240 nan 0.000 0.443 446 F N 0.161 120.091 119.950 -0.034 0.000 2.620 446 F HA 0.477 5.003 4.527 -0.001 0.000 0.320 446 F C -0.274 175.529 175.800 0.005 0.000 1.069 446 F CA -1.636 56.317 58.000 -0.078 0.000 0.953 446 F CB 1.120 40.025 39.000 -0.159 0.000 1.322 446 F HN 0.490 nan 8.300 nan 0.000 0.479 447 W N 4.028 125.288 121.300 -0.067 0.000 2.774 447 W HA 0.117 4.776 4.660 -0.001 0.000 0.353 447 W C -0.303 176.237 176.519 0.035 0.000 1.373 447 W CA -0.292 56.959 57.345 -0.156 0.000 1.432 447 W CB -0.309 28.799 29.460 -0.588 0.000 1.545 447 W HN 0.439 nan 8.180 nan 0.000 0.531 448 E N 3.878 124.337 120.200 0.431 0.000 2.344 448 E HA 0.200 4.549 4.350 -0.001 0.000 0.270 448 E C -0.575 176.326 176.600 0.503 0.000 1.021 448 E CA -0.137 56.522 56.400 0.433 0.000 0.887 448 E CB 1.614 31.513 29.700 0.331 0.000 0.997 448 E HN 0.169 nan 8.360 nan 0.000 0.429 449 V N 3.829 123.967 119.914 0.373 0.000 2.623 449 V HA 0.249 4.369 4.120 -0.001 0.000 0.304 449 V C 0.029 176.265 176.094 0.237 0.000 1.054 449 V CA -0.994 61.466 62.300 0.267 0.000 0.882 449 V CB 1.939 33.843 31.823 0.135 0.000 1.002 449 V HN 0.536 nan 8.190 nan 0.000 0.424 450 N N 4.597 123.420 118.700 0.204 0.000 2.558 450 N HA 0.402 5.142 4.740 -0.001 0.000 0.242 450 N C -0.161 175.393 175.510 0.073 0.000 0.979 450 N CA -0.376 52.769 53.050 0.158 0.000 0.931 450 N CB 1.582 40.142 38.487 0.122 0.000 1.122 450 N HN 0.713 nan 8.380 nan 0.000 0.508 451 L N 3.468 124.706 121.223 0.025 0.000 2.728 451 L HA 0.180 4.519 4.340 -0.001 0.000 0.235 451 L C 1.687 178.595 176.870 0.064 0.000 1.197 451 L CA 0.043 54.886 54.840 0.006 0.000 0.992 451 L CB 0.200 42.198 42.059 -0.102 0.000 1.263 451 L HN 0.364 nan 8.230 nan 0.000 0.484 452 K N 0.267 120.660 120.400 -0.011 0.000 2.076 452 K HA -0.085 4.234 4.320 -0.001 0.000 0.204 452 K C 0.962 177.540 176.600 -0.036 0.000 1.051 452 K CA 0.932 57.139 56.287 -0.134 0.000 0.949 452 K CB 0.162 32.586 32.500 -0.126 0.000 0.726 452 K HN 0.056 nan 8.250 nan 0.000 0.443 453 E N 0.649 120.870 120.200 0.035 0.000 2.321 453 E HA 0.004 4.353 4.350 -0.001 0.000 0.189 453 E C 0.405 177.074 176.600 0.115 0.000 1.125 453 E CA 0.339 56.789 56.400 0.083 0.000 1.005 453 E CB 0.352 30.097 29.700 0.075 0.000 1.140 453 E HN 0.086 nan 8.360 nan 0.000 0.457 454 K N -0.830 119.650 120.400 0.134 0.000 2.474 454 K HA 0.160 4.479 4.320 -0.001 0.000 0.204 454 K C 0.057 176.736 176.600 0.132 0.000 1.220 454 K CA -0.129 56.224 56.287 0.110 0.000 0.966 454 K CB 0.254 32.758 32.500 0.006 0.000 1.049 454 K HN 0.065 nan 8.250 nan 0.000 0.554 455 F N 2.195 122.081 119.950 -0.106 0.000 2.572 455 F HA 0.060 4.586 4.527 -0.001 0.000 0.370 455 F C 0.890 176.844 175.800 0.256 0.000 1.103 455 F CA 0.515 58.472 58.000 -0.073 0.000 1.286 455 F CB 0.648 39.355 39.000 -0.489 0.000 1.105 455 F HN -0.241 nan 8.300 nan 0.000 0.583 456 S N 2.425 118.453 115.700 0.547 0.000 2.736 456 S HA 0.635 5.105 4.470 -0.001 0.000 0.285 456 S C 0.376 175.153 174.600 0.294 0.000 1.163 456 S CA -0.210 58.315 58.200 0.542 0.000 1.025 456 S CB 1.070 64.660 63.200 0.650 0.000 1.030 456 S HN 0.807 nan 8.310 nan 0.000 0.486 457 A N 3.392 126.174 122.820 -0.062 0.000 1.828 457 A HA 0.015 4.334 4.320 -0.001 0.000 0.215 457 A C 0.647 178.198 177.584 -0.057 0.000 1.203 457 A CA 1.580 53.271 52.037 -0.576 0.000 0.614 457 A CB -1.005 17.746 19.000 -0.414 0.000 0.844 457 A HN 0.911 nan 8.150 nan 0.000 0.445 458 D N 0.821 121.237 120.400 0.027 0.000 2.368 458 D HA 0.150 4.790 4.640 -0.001 0.000 0.268 458 D C 0.541 176.871 176.300 0.050 0.000 1.298 458 D CA 0.025 54.041 54.000 0.028 0.000 0.938 458 D CB 0.105 40.899 40.800 -0.011 0.000 1.101 458 D HN 0.398 nan 8.370 nan 0.000 0.509 459 L N 1.099 122.394 121.223 0.119 0.000 2.492 459 L HA -0.027 4.312 4.340 -0.001 0.000 0.223 459 L C 0.842 177.728 176.870 0.026 0.000 1.132 459 L CA 0.335 55.295 54.840 0.200 0.000 0.850 459 L CB -0.270 41.947 42.059 0.262 0.000 0.966 459 L HN 0.200 nan 8.230 nan 0.000 0.454 460 D N 0.096 120.468 120.400 -0.047 0.000 2.384 460 D HA -0.141 4.498 4.640 -0.001 0.000 0.222 460 D C 1.699 177.895 176.300 -0.173 0.000 0.976 460 D CA 0.761 54.711 54.000 -0.084 0.000 0.915 460 D CB 0.091 40.849 40.800 -0.070 0.000 0.896 460 D HN 0.340 nan 8.370 nan 0.000 0.523 461 Q N -0.725 118.865 119.800 -0.350 0.000 2.171 461 Q HA 0.200 4.539 4.340 -0.001 0.000 0.218 461 Q C -0.394 175.128 176.000 -0.797 0.000 0.822 461 Q CA -0.001 55.462 55.803 -0.567 0.000 0.987 461 Q CB 0.868 29.208 28.738 -0.663 0.000 1.144 461 Q HN 0.302 nan 8.270 nan 0.000 0.494 462 F N 1.715 121.555 119.950 -0.183 0.000 2.532 462 F HA 0.312 4.838 4.527 -0.001 0.000 0.321 462 F C -1.442 174.302 175.800 -0.093 0.000 1.089 462 F CA -2.234 55.610 58.000 -0.261 0.000 0.926 462 F CB 1.974 40.518 39.000 -0.760 0.000 1.168 462 F HN -0.244 nan 8.300 nan 0.000 0.459 463 P HA -0.182 nan 4.420 nan 0.000 0.216 463 P C 1.719 179.094 177.300 0.126 0.000 1.153 463 P CA 1.451 64.610 63.100 0.098 0.000 0.848 463 P CB 0.714 32.456 31.700 0.070 0.000 0.787 464 L N -0.276 121.043 121.223 0.160 0.000 1.989 464 L HA -0.122 4.218 4.340 -0.001 0.000 0.211 464 L C 2.770 179.814 176.870 0.290 0.000 1.071 464 L CA 2.323 57.258 54.840 0.159 0.000 0.749 464 L CB -1.388 40.734 42.059 0.105 0.000 0.890 464 L HN 0.057 nan 8.230 nan 0.000 0.431 465 G N -0.740 108.277 108.800 0.362 0.000 2.511 465 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.216 465 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.216 465 G C 1.531 176.577 174.900 0.244 0.000 1.218 465 G CA 0.776 46.095 45.100 0.366 0.000 0.788 465 G HN 0.295 nan 8.290 nan 0.000 0.560 466 R N 0.370 120.957 120.500 0.144 0.000 2.224 466 R HA -0.244 4.095 4.340 -0.001 0.000 0.255 466 R C 2.666 179.013 176.300 0.078 0.000 1.130 466 R CA 2.251 58.393 56.100 0.069 0.000 0.957 466 R CB -0.329 29.998 30.300 0.046 0.000 0.907 466 R HN 0.352 nan 8.270 nan 0.000 0.446 467 K N -0.552 119.938 120.400 0.149 0.000 1.973 467 K HA -0.155 4.164 4.320 -0.001 0.000 0.210 467 K C 1.942 178.672 176.600 0.217 0.000 1.045 467 K CA 1.562 57.968 56.287 0.197 0.000 0.937 467 K CB -0.428 32.223 32.500 0.252 0.000 0.721 467 K HN 0.066 nan 8.250 nan 0.000 0.438 468 F N 2.015 122.079 119.950 0.190 0.000 2.154 468 F HA -0.238 4.289 4.527 -0.001 0.000 0.301 468 F C 1.820 177.444 175.800 -0.294 0.000 1.087 468 F CA 1.107 59.030 58.000 -0.129 0.000 1.274 468 F CB -0.482 38.520 39.000 0.005 0.000 1.009 468 F HN -0.063 nan 8.300 nan 0.000 0.485 469 L N 0.215 121.175 121.223 -0.437 0.000 2.042 469 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 469 L C 2.266 178.888 176.870 -0.413 0.000 1.076 469 L CA 1.661 56.215 54.840 -0.477 0.000 0.749 469 L CB -0.842 41.105 42.059 -0.188 0.000 0.893 469 L HN 0.324 nan 8.230 nan 0.000 0.432 470 L N -1.390 119.678 121.223 -0.259 0.000 2.610 470 L HA -0.063 4.276 4.340 -0.001 0.000 0.232 470 L C 1.732 178.462 176.870 -0.235 0.000 1.149 470 L CA 0.257 54.982 54.840 -0.191 0.000 0.872 470 L CB -0.105 41.903 42.059 -0.086 0.000 0.992 470 L HN 0.472 nan 8.230 nan 0.000 0.447 471 Q N -0.468 119.090 119.800 -0.404 0.000 2.175 471 Q HA 0.211 4.550 4.340 -0.001 0.000 0.177 471 Q C 0.588 176.281 176.000 -0.512 0.000 0.636 471 Q CA -0.175 55.351 55.803 -0.463 0.000 0.657 471 Q CB 0.142 28.461 28.738 -0.698 0.000 1.760 471 Q HN 0.166 nan 8.270 nan 0.000 0.417 472 L N 0.000 120.814 121.223 -0.681 0.000 2.949 472 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 472 L CA 0.000 54.548 54.840 -0.486 0.000 0.813 472 L CB 0.000 41.712 42.059 -0.578 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502