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_H 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 0.000 177.660 177.584 0.126 0.000 1.274 20 A CA 0.000 52.068 52.037 0.052 0.000 0.836 20 A CB 0.000 19.030 19.000 0.050 0.000 0.831 21 V N 1.555 121.476 119.914 0.010 0.000 2.547 21 V HA 0.791 4.910 4.120 -0.001 0.000 0.299 21 V C 0.120 176.245 176.094 0.051 0.000 1.040 21 V CA -0.128 62.174 62.300 0.004 0.000 0.913 21 V CB 1.428 32.974 31.823 -0.463 0.000 0.992 21 V HN 1.720 nan 8.190 nan 0.000 0.449 22 V N 0.905 120.973 119.914 0.255 0.000 3.087 22 V HA 0.694 4.814 4.120 -0.001 0.000 0.306 22 V C -0.059 176.349 176.094 0.524 0.000 1.187 22 V CA -0.782 61.721 62.300 0.339 0.000 0.999 22 V CB 1.848 33.755 31.823 0.140 0.000 1.049 22 V HN 0.871 nan 8.190 nan 0.000 0.431 23 S N 2.023 117.997 115.700 0.457 0.000 2.575 23 S HA 0.058 4.527 4.470 -0.001 0.000 0.295 23 S C 1.713 176.421 174.600 0.180 0.000 1.267 23 S CA 0.597 58.973 58.200 0.294 0.000 1.074 23 S CB 0.469 63.735 63.200 0.110 0.000 0.829 23 S HN 2.038 nan 8.310 nan 0.000 0.497 24 T N 2.258 116.882 114.554 0.117 0.000 2.685 24 T HA -0.229 4.120 4.350 -0.001 0.000 0.268 24 T C 1.202 175.708 174.700 -0.322 0.000 1.034 24 T CA 1.873 63.775 62.100 -0.332 0.000 1.149 24 T CB -0.878 67.877 68.868 -0.189 0.000 0.860 24 T HN 0.708 nan 8.240 nan 0.000 0.449 25 D N 1.336 121.670 120.400 -0.110 0.000 2.311 25 D HA -0.126 4.514 4.640 -0.001 0.000 0.204 25 D C 1.979 178.247 176.300 -0.053 0.000 1.000 25 D CA 1.219 55.175 54.000 -0.074 0.000 0.910 25 D CB -0.188 40.596 40.800 -0.027 0.000 0.900 25 D HN 0.711 nan 8.370 nan 0.000 0.463 26 E N -0.628 119.557 120.200 -0.026 0.000 2.013 26 E HA -0.117 4.233 4.350 -0.001 0.000 0.194 26 E C 2.211 178.860 176.600 0.081 0.000 0.973 26 E CA 0.518 56.950 56.400 0.054 0.000 0.842 26 E CB -0.390 29.386 29.700 0.125 0.000 0.801 26 E HN 0.480 nan 8.360 nan 0.000 0.476 27 Y N 0.388 120.719 120.300 0.053 0.000 2.483 27 Y HA 0.030 4.579 4.550 -0.001 0.000 0.291 27 Y C 0.775 176.762 175.900 0.145 0.000 1.143 27 Y CA -0.219 57.935 58.100 0.090 0.000 1.289 27 Y CB -0.469 38.050 38.460 0.099 0.000 0.983 27 Y HN -0.250 nan 8.280 nan 0.000 0.556 28 V N 1.086 120.896 119.914 -0.174 0.000 2.863 28 V HA 0.735 4.855 4.120 -0.001 0.000 0.307 28 V C 0.191 176.272 176.094 -0.021 0.000 1.061 28 V CA -0.713 61.552 62.300 -0.059 0.000 1.024 28 V CB 1.232 32.964 31.823 -0.152 0.000 1.049 28 V HN 0.369 nan 8.190 nan 0.000 0.471 29 A N 3.087 125.909 122.820 0.003 0.000 2.371 29 A HA 0.806 5.126 4.320 -0.001 0.000 0.311 29 A C -0.436 177.126 177.584 -0.037 0.000 1.068 29 A CA -0.812 51.222 52.037 -0.005 0.000 0.744 29 A CB 1.293 20.306 19.000 0.021 0.000 1.239 29 A HN 0.778 nan 8.150 nan 0.000 0.435 30 R N 1.748 122.223 120.500 -0.043 0.000 2.320 30 R HA 0.404 4.743 4.340 -0.001 0.000 0.319 30 R C 0.274 176.516 176.300 -0.097 0.000 0.969 30 R CA -0.204 55.855 56.100 -0.068 0.000 0.857 30 R CB 1.630 31.905 30.300 -0.042 0.000 1.160 30 R HN 0.937 nan 8.270 nan 0.000 0.491 31 T N -1.076 113.383 114.554 -0.160 0.000 2.729 31 T HA 0.091 4.440 4.350 -0.001 0.000 0.298 31 T C 0.612 175.146 174.700 -0.277 0.000 1.013 31 T CA -0.417 61.559 62.100 -0.207 0.000 0.957 31 T CB 0.737 69.414 68.868 -0.319 0.000 1.130 31 T HN 0.506 nan 8.240 nan 0.000 0.526 32 N N 0.598 119.133 118.700 -0.274 0.000 2.671 32 N HA 0.255 4.995 4.740 -0.001 0.000 0.303 32 N C -0.946 174.329 175.510 -0.393 0.000 1.351 32 N CA -0.312 52.553 53.050 -0.308 0.000 0.991 32 N CB 0.066 38.481 38.487 -0.121 0.000 1.307 32 N HN 0.446 nan 8.380 nan 0.000 0.512 33 I N 1.696 121.938 120.570 -0.548 0.000 2.406 33 I HA 0.305 4.474 4.170 -0.001 0.000 0.290 33 I C -0.727 175.182 176.117 -0.347 0.000 0.999 33 I CA -0.496 60.575 61.300 -0.381 0.000 1.124 33 I CB 0.907 38.696 38.000 -0.353 0.000 1.289 33 I HN 0.085 nan 8.210 nan 0.000 0.441 34 Y N 5.638 126.036 120.300 0.163 0.000 2.391 34 Y HA 0.499 5.049 4.550 -0.001 0.000 0.341 34 Y C -0.736 175.257 175.900 0.154 0.000 0.965 34 Y CA -0.782 57.474 58.100 0.260 0.000 1.067 34 Y CB 2.152 40.761 38.460 0.247 0.000 1.199 34 Y HN 0.356 nan 8.280 nan 0.000 0.450 35 Y N 1.667 122.299 120.300 0.553 0.000 2.509 35 Y HA 0.376 4.925 4.550 -0.001 0.000 0.341 35 Y C -0.180 175.794 175.900 0.123 0.000 1.038 35 Y CA -0.927 57.377 58.100 0.339 0.000 1.089 35 Y CB 1.533 40.184 38.460 0.319 0.000 1.241 35 Y HN 0.554 nan 8.280 nan 0.000 0.468 36 H N 1.583 120.702 119.070 0.082 0.000 2.569 36 H HA 0.866 5.422 4.556 -0.001 0.000 0.357 36 H C -1.759 173.348 175.328 -0.368 0.000 1.153 36 H CA -0.845 55.106 56.048 -0.161 0.000 1.193 36 H CB 1.726 31.363 29.762 -0.210 0.000 1.602 36 H HN 0.808 nan 8.280 nan 0.000 0.523 37 A N 2.721 125.105 122.820 -0.726 0.000 2.491 37 A HA 0.618 4.938 4.320 -0.001 0.000 0.293 37 A C -1.015 176.341 177.584 -0.380 0.000 1.047 37 A CA 0.028 51.823 52.037 -0.403 0.000 0.735 37 A CB 1.324 19.942 19.000 -0.636 0.000 1.281 37 A HN 0.979 nan 8.150 nan 0.000 0.398 38 G N 0.725 109.442 108.800 -0.139 0.000 2.733 38 G HA2 0.664 4.623 3.960 -0.001 0.000 0.297 38 G HA3 0.664 4.623 3.960 -0.001 0.000 0.297 38 G C -0.274 174.643 174.900 0.028 0.000 1.452 38 G CA 0.263 45.349 45.100 -0.023 0.000 0.940 38 G HN 1.719 nan 8.290 nan 0.000 0.547 39 T N -0.650 113.925 114.554 0.036 0.000 2.946 39 T HA 0.254 4.604 4.350 -0.001 0.000 0.312 39 T C 1.800 176.534 174.700 0.056 0.000 1.066 39 T CA 0.813 62.943 62.100 0.050 0.000 1.138 39 T CB 1.026 69.914 68.868 0.034 0.000 1.014 39 T HN 1.242 nan 8.240 nan 0.000 0.544 40 S N 2.319 118.066 115.700 0.080 0.000 2.387 40 S HA 0.012 4.482 4.470 -0.001 0.000 0.226 40 S C 1.046 175.689 174.600 0.071 0.000 1.026 40 S CA 0.364 58.615 58.200 0.084 0.000 0.972 40 S CB -0.315 62.941 63.200 0.093 0.000 0.814 40 S HN 0.984 nan 8.310 nan 0.000 0.477 41 R N 0.321 120.871 120.500 0.082 0.000 3.233 41 R HA 0.223 4.563 4.340 -0.001 0.000 0.301 41 R C -1.666 174.715 176.300 0.134 0.000 1.018 41 R CA -0.227 55.926 56.100 0.087 0.000 0.989 41 R CB -0.048 30.299 30.300 0.078 0.000 1.393 41 R HN 0.280 nan 8.270 nan 0.000 0.370 42 L N 3.121 124.433 121.223 0.148 0.000 2.472 42 L HA 0.502 4.841 4.340 -0.001 0.000 0.260 42 L C -0.139 176.918 176.870 0.312 0.000 1.209 42 L CA -0.563 54.430 54.840 0.256 0.000 0.817 42 L CB 0.483 42.583 42.059 0.069 0.000 1.106 42 L HN 0.481 nan 8.230 nan 0.000 0.479 43 L N 0.802 122.297 121.223 0.452 0.000 2.582 43 L HA 0.794 5.134 4.340 -0.001 0.000 0.257 43 L C -1.431 175.653 176.870 0.356 0.000 0.974 43 L CA -0.175 54.856 54.840 0.318 0.000 0.851 43 L CB 2.108 44.276 42.059 0.182 0.000 1.424 43 L HN 0.679 nan 8.230 nan 0.000 0.412 44 A N 2.624 125.578 122.820 0.224 0.000 2.465 44 A HA 0.810 5.130 4.320 -0.001 0.000 0.292 44 A C -1.996 175.607 177.584 0.032 0.000 1.041 44 A CA -0.477 51.639 52.037 0.133 0.000 0.718 44 A CB 1.706 20.839 19.000 0.222 0.000 1.266 44 A HN 0.501 nan 8.150 nan 0.000 0.403 45 V N 1.825 121.741 119.914 0.003 0.000 2.623 45 V HA 0.890 5.009 4.120 -0.001 0.000 0.304 45 V C 0.547 176.642 176.094 0.001 0.000 1.054 45 V CA 0.454 62.751 62.300 -0.005 0.000 0.882 45 V CB 1.693 33.521 31.823 0.009 0.000 1.002 45 V HN 1.651 nan 8.190 nan 0.000 0.424 46 G N 2.184 110.992 108.800 0.013 0.000 2.753 46 G HA2 0.421 4.381 3.960 -0.001 0.000 0.303 46 G HA3 0.421 4.381 3.960 -0.001 0.000 0.303 46 G C -1.660 173.285 174.900 0.075 0.000 1.242 46 G CA -0.436 44.694 45.100 0.050 0.000 0.810 46 G HN 0.630 nan 8.290 nan 0.000 0.515 47 H N 1.729 120.791 119.070 -0.014 0.000 2.459 47 H HA 0.400 4.956 4.556 -0.001 0.000 0.332 47 H C -1.584 173.679 175.328 -0.109 0.000 1.094 47 H CA -1.861 54.148 56.048 -0.064 0.000 1.224 47 H CB 2.838 32.518 29.762 -0.137 0.000 1.449 47 H HN 0.161 nan 8.280 nan 0.000 0.484 48 P HA -0.128 nan 4.420 nan 0.000 0.228 48 P C -0.085 177.009 177.300 -0.344 0.000 1.151 48 P CA 1.270 64.165 63.100 -0.341 0.000 0.770 48 P CB 0.303 31.598 31.700 -0.675 0.000 0.786 49 Y N -0.977 119.408 120.300 0.142 0.000 2.723 49 Y HA 0.272 4.822 4.550 -0.000 0.000 0.272 49 Y C 1.145 177.114 175.900 0.114 0.000 1.142 49 Y CA -0.507 57.670 58.100 0.128 0.000 1.217 49 Y CB 0.141 38.701 38.460 0.167 0.000 1.391 49 Y HN -0.176 nan 8.280 nan 0.000 0.479 50 F N -1.214 118.940 119.950 0.340 0.000 2.668 50 F HA 0.747 5.274 4.527 -0.000 0.000 0.309 50 F C -3.364 172.438 175.800 0.003 0.000 1.117 50 F CA -3.489 54.568 58.000 0.095 0.000 0.951 50 F CB 0.771 39.775 39.000 0.007 0.000 1.323 50 F HN -0.344 nan 8.300 nan 0.000 0.451 51 P HA 0.173 nan 4.420 nan 0.000 0.271 51 P C -0.556 176.843 177.300 0.164 0.000 1.226 51 P CA 0.264 63.451 63.100 0.145 0.000 0.765 51 P CB 1.274 33.038 31.700 0.105 0.000 0.835 52 I N 4.957 125.595 120.570 0.113 0.000 2.278 52 I HA 0.115 4.284 4.170 -0.001 0.000 0.296 52 I C 1.293 177.456 176.117 0.076 0.000 1.121 52 I CA 0.289 61.657 61.300 0.114 0.000 1.267 52 I CB -0.228 37.846 38.000 0.124 0.000 1.447 52 I HN 0.317 nan 8.210 nan 0.000 0.509 53 K N 4.357 124.792 120.400 0.059 0.000 2.258 53 K HA 0.631 4.951 4.320 -0.001 0.000 0.236 53 K C -0.255 176.360 176.600 0.026 0.000 1.008 53 K CA -1.320 54.987 56.287 0.033 0.000 0.869 53 K CB 1.178 33.691 32.500 0.021 0.000 1.171 53 K HN 0.018 nan 8.250 nan 0.000 0.447 54 K N 1.527 121.937 120.400 0.017 0.000 2.485 54 K HA 0.012 4.331 4.320 -0.001 0.000 0.277 54 K C -1.659 174.943 176.600 0.004 0.000 0.990 54 K CA -1.121 55.174 56.287 0.012 0.000 0.994 54 K CB 0.463 32.967 32.500 0.007 0.000 0.906 54 K HN 0.386 nan 8.250 nan 0.000 0.488 55 P HA -0.196 nan 4.420 nan 0.000 0.217 55 P C -0.436 176.858 177.300 -0.010 0.000 1.148 55 P CA 1.847 64.943 63.100 -0.006 0.000 0.828 55 P CB 0.073 31.770 31.700 -0.004 0.000 0.783 56 N N -0.919 117.777 118.700 -0.006 0.000 2.684 56 N HA -0.044 4.696 4.740 -0.001 0.000 0.220 56 N C 0.756 176.261 175.510 -0.008 0.000 1.037 56 N CA -0.310 52.735 53.050 -0.008 0.000 0.975 56 N CB -1.316 37.167 38.487 -0.006 0.000 1.426 56 N HN -0.022 nan 8.380 nan 0.000 0.450 57 N N 0.962 119.659 118.700 -0.005 0.000 2.344 57 N HA -0.062 4.677 4.740 -0.001 0.000 0.236 57 N C -0.064 175.443 175.510 -0.004 0.000 1.279 57 N CA 0.150 53.197 53.050 -0.005 0.000 0.882 57 N CB 0.297 38.782 38.487 -0.003 0.000 1.110 57 N HN 0.444 nan 8.380 nan 0.000 0.436 58 N N 1.070 119.767 118.700 -0.006 0.000 2.275 58 N HA 0.019 4.758 4.740 -0.001 0.000 0.236 58 N C -0.696 174.812 175.510 -0.004 0.000 1.154 58 N CA -0.269 52.778 53.050 -0.005 0.000 0.866 58 N CB 0.296 38.778 38.487 -0.009 0.000 1.093 58 N HN 0.427 nan 8.380 nan 0.000 0.515 59 K N 2.122 122.520 120.400 -0.003 0.000 2.297 59 K HA 0.188 4.508 4.320 -0.001 0.000 0.286 59 K C 0.269 176.871 176.600 0.004 0.000 1.053 59 K CA -0.533 55.751 56.287 -0.004 0.000 0.940 59 K CB 1.000 33.497 32.500 -0.005 0.000 1.019 59 K HN 0.297 nan 8.250 nan 0.000 0.475 60 I N 3.612 124.183 120.570 0.002 0.000 2.406 60 I HA -0.008 4.162 4.170 -0.001 0.000 0.293 60 I C 1.068 177.192 176.117 0.012 0.000 1.101 60 I CA -0.441 60.865 61.300 0.011 0.000 1.334 60 I CB 0.412 38.417 38.000 0.008 0.000 1.421 60 I HN 0.536 nan 8.210 nan 0.000 0.513 61 L N 7.367 128.603 121.223 0.023 0.000 2.141 61 L HA 0.167 4.507 4.340 -0.001 0.000 0.209 61 L C 0.482 177.366 176.870 0.024 0.000 1.094 61 L CA 1.551 56.404 54.840 0.022 0.000 0.763 61 L CB 0.067 42.145 42.059 0.032 0.000 0.908 61 L HN 0.566 nan 8.230 nan 0.000 0.437 62 V N 0.409 120.346 119.914 0.038 0.000 2.888 62 V HA 0.537 4.657 4.120 -0.001 0.000 0.309 62 V C -2.595 173.527 176.094 0.047 0.000 1.114 62 V CA -1.009 61.318 62.300 0.044 0.000 0.940 62 V CB 2.267 34.132 31.823 0.071 0.000 1.021 62 V HN 0.074 nan 8.190 nan 0.000 0.426 63 P HA 0.385 nan 4.420 nan 0.000 0.292 63 P C -1.501 175.830 177.300 0.051 0.000 1.313 63 P CA -1.107 62.011 63.100 0.030 0.000 0.965 63 P CB 1.753 33.445 31.700 -0.013 0.000 1.303 64 K N 1.200 121.632 120.400 0.055 0.000 2.351 64 K HA 0.214 4.534 4.320 -0.001 0.000 0.287 64 K C -0.919 175.714 176.600 0.055 0.000 1.068 64 K CA 0.041 56.372 56.287 0.074 0.000 0.998 64 K CB -0.436 32.115 32.500 0.085 0.000 0.968 64 K HN 0.198 nan 8.250 nan 0.000 0.464 65 V N 4.492 124.440 119.914 0.057 0.000 2.276 65 V HA 0.080 4.199 4.120 -0.001 0.000 0.268 65 V C -0.008 176.139 176.094 0.087 0.000 1.032 65 V CA -0.513 61.806 62.300 0.031 0.000 0.810 65 V CB 0.820 32.639 31.823 -0.006 0.000 1.060 65 V HN 0.784 nan 8.190 nan 0.000 0.446 66 S N 3.191 118.978 115.700 0.145 0.000 2.718 66 S HA 0.660 5.129 4.470 -0.001 0.000 0.300 66 S C 0.916 175.663 174.600 0.246 0.000 1.117 66 S CA 0.055 58.435 58.200 0.300 0.000 1.002 66 S CB 1.949 65.226 63.200 0.129 0.000 1.092 66 S HN 0.754 nan 8.310 nan 0.000 0.542 67 G N 0.754 109.780 108.800 0.375 0.000 3.471 67 G HA2 0.465 4.425 3.960 -0.001 0.000 0.254 67 G HA3 0.465 4.425 3.960 -0.001 0.000 0.254 67 G C -0.121 174.852 174.900 0.122 0.000 1.199 67 G CA -0.177 45.071 45.100 0.247 0.000 1.683 67 G HN 0.671 nan 8.290 nan 0.000 0.625 68 L N -0.670 120.606 121.223 0.088 0.000 3.584 68 L HA 0.211 4.550 4.340 -0.001 0.000 0.354 68 L C -0.051 176.831 176.870 0.020 0.000 1.345 68 L CA -0.161 54.689 54.840 0.016 0.000 0.970 68 L CB 0.499 42.558 42.059 -0.000 0.000 1.374 68 L HN 0.203 nan 8.230 nan 0.000 0.612 69 Q N -0.069 119.773 119.800 0.070 0.000 2.333 69 Q HA 0.431 4.771 4.340 -0.001 0.000 0.265 69 Q C -1.213 174.890 176.000 0.172 0.000 0.989 69 Q CA -0.937 54.943 55.803 0.129 0.000 0.842 69 Q CB 1.542 30.351 28.738 0.118 0.000 1.262 69 Q HN 0.022 nan 8.270 nan 0.000 0.451 70 Y N 1.611 121.946 120.300 0.059 0.000 2.729 70 Y HA -0.047 4.502 4.550 -0.001 0.000 0.331 70 Y C 0.735 176.674 175.900 0.066 0.000 1.208 70 Y CA 0.249 58.391 58.100 0.071 0.000 1.521 70 Y CB 0.404 38.890 38.460 0.043 0.000 1.233 70 Y HN 0.284 nan 8.280 nan 0.000 0.539 71 R N 3.677 124.322 120.500 0.241 0.000 2.408 71 R HA 0.216 4.556 4.340 -0.001 0.000 0.308 71 R C -1.259 175.060 176.300 0.032 0.000 1.210 71 R CA -0.457 55.677 56.100 0.056 0.000 1.115 71 R CB 0.082 30.378 30.300 -0.006 0.000 1.127 71 R HN 0.402 nan 8.270 nan 0.000 0.523 72 V N 5.649 125.589 119.914 0.043 0.000 2.352 72 V HA 0.179 4.298 4.120 -0.001 0.000 0.253 72 V C 0.324 176.463 176.094 0.075 0.000 1.083 72 V CA -0.294 62.066 62.300 0.099 0.000 0.993 72 V CB -0.580 31.318 31.823 0.125 0.000 1.111 72 V HN 0.284 nan 8.190 nan 0.000 0.490 73 F N 3.434 123.398 119.950 0.023 0.000 2.389 73 F HA 0.576 5.103 4.527 -0.001 0.000 0.337 73 F C 0.758 176.638 175.800 0.133 0.000 1.112 73 F CA -0.709 57.316 58.000 0.041 0.000 1.192 73 F CB 0.758 39.678 39.000 -0.133 0.000 1.185 73 F HN 0.310 nan 8.300 nan 0.000 0.552 74 R N 2.880 123.582 120.500 0.336 0.000 2.422 74 R HA 0.528 4.868 4.340 -0.001 0.000 0.307 74 R C -1.653 174.576 176.300 -0.118 0.000 1.004 74 R CA -0.752 55.473 56.100 0.208 0.000 0.882 74 R CB 0.541 31.017 30.300 0.294 0.000 1.164 74 R HN 0.579 nan 8.270 nan 0.000 0.489 75 I N 4.950 125.377 120.570 -0.239 0.000 2.322 75 I HA 0.156 4.326 4.170 -0.001 0.000 0.292 75 I C 0.109 175.980 176.117 -0.410 0.000 1.060 75 I CA -0.162 60.948 61.300 -0.316 0.000 1.309 75 I CB 0.692 38.454 38.000 -0.396 0.000 1.415 75 I HN 0.367 nan 8.210 nan 0.000 0.492 76 H N 7.635 126.624 119.070 -0.136 0.000 2.640 76 H HA 0.451 5.007 4.556 -0.001 0.000 0.297 76 H C -0.444 174.751 175.328 -0.221 0.000 1.073 76 H CA -0.370 55.589 56.048 -0.147 0.000 1.305 76 H CB 1.017 30.730 29.762 -0.082 0.000 1.404 76 H HN 0.381 nan 8.280 nan 0.000 0.459 77 L N 5.981 127.093 121.223 -0.184 0.000 2.329 77 L HA 0.319 4.658 4.340 -0.001 0.000 0.279 77 L C -2.014 174.600 176.870 -0.427 0.000 1.014 77 L CA -2.107 52.478 54.840 -0.425 0.000 0.814 77 L CB 2.243 44.010 42.059 -0.486 0.000 1.257 77 L HN 0.359 nan 8.230 nan 0.000 0.424 78 P HA -0.061 nan 4.420 nan 0.000 0.264 78 P C -0.803 176.388 177.300 -0.182 0.000 1.193 78 P CA -0.172 62.648 63.100 -0.466 0.000 0.763 78 P CB 0.721 31.963 31.700 -0.763 0.000 0.810 79 D N 5.318 125.702 120.400 -0.027 0.000 2.487 79 D HA -0.027 4.613 4.640 -0.001 0.000 0.243 79 D C -1.030 175.361 176.300 0.151 0.000 1.154 79 D CA -1.577 52.481 54.000 0.097 0.000 0.876 79 D CB 0.481 41.340 40.800 0.099 0.000 1.161 79 D HN 0.253 nan 8.370 nan 0.000 0.478 80 P HA -0.074 nan 4.420 nan 0.000 0.229 80 P C 0.270 177.724 177.300 0.256 0.000 1.160 80 P CA 0.520 63.717 63.100 0.162 0.000 0.777 80 P CB 0.325 31.868 31.700 -0.262 0.000 0.814 81 N N 0.226 119.036 118.700 0.184 0.000 2.449 81 N HA 0.006 4.746 4.740 -0.001 0.000 0.191 81 N C 1.039 176.668 175.510 0.198 0.000 1.161 81 N CA 0.624 53.785 53.050 0.185 0.000 0.863 81 N CB 0.261 38.886 38.487 0.231 0.000 0.980 81 N HN 0.362 nan 8.380 nan 0.000 0.458 82 K N -1.134 119.375 120.400 0.182 0.000 2.570 82 K HA 0.072 4.392 4.320 -0.001 0.000 0.201 82 K C -0.226 176.419 176.600 0.075 0.000 1.730 82 K CA -0.396 55.966 56.287 0.126 0.000 1.034 82 K CB 0.592 33.152 32.500 0.101 0.000 1.471 82 K HN -0.094 nan 8.250 nan 0.000 0.608 83 F N 2.523 122.380 119.950 -0.155 0.000 2.628 83 F HA 0.156 4.683 4.527 -0.000 0.000 0.362 83 F C 1.081 176.628 175.800 -0.422 0.000 1.148 83 F CA 0.038 57.791 58.000 -0.413 0.000 1.352 83 F CB 0.571 39.121 39.000 -0.750 0.000 1.081 83 F HN 0.071 nan 8.300 nan 0.000 0.605 84 G N 6.633 114.724 108.800 -1.182 0.000 2.852 84 G HA2 0.155 4.115 3.960 -0.001 0.000 0.280 84 G HA3 0.155 4.115 3.960 -0.001 0.000 0.280 84 G C -0.547 173.705 174.900 -1.080 0.000 0.731 84 G CA -0.471 44.072 45.100 -0.928 0.000 2.037 84 G HN 0.464 nan 8.290 nan 0.000 0.560 85 F N 1.684 121.392 119.950 -0.404 0.000 2.429 85 F HA 0.230 4.757 4.527 -0.001 0.000 0.348 85 F C -0.315 175.491 175.800 0.011 0.000 1.109 85 F CA -1.916 56.038 58.000 -0.076 0.000 1.232 85 F CB 1.472 40.623 39.000 0.252 0.000 1.157 85 F HN 0.261 nan 8.300 nan 0.000 0.564 86 P HA 0.008 nan 4.420 nan 0.000 0.249 86 P C -0.842 176.582 177.300 0.207 0.000 1.241 86 P CA 0.752 63.966 63.100 0.191 0.000 0.781 86 P CB 0.145 31.957 31.700 0.187 0.000 1.088 87 D N -0.972 119.610 120.400 0.302 0.000 2.717 87 D HA 0.247 4.887 4.640 -0.001 0.000 0.223 87 D C -0.386 176.005 176.300 0.151 0.000 1.240 87 D CA -0.397 53.743 54.000 0.233 0.000 0.801 87 D CB 0.992 41.958 40.800 0.278 0.000 1.556 87 D HN -0.173 nan 8.370 nan 0.000 0.462 88 T N -0.965 113.498 114.554 -0.151 0.000 3.460 88 T HA 0.214 4.564 4.350 -0.001 0.000 0.304 88 T C 0.993 175.297 174.700 -0.661 0.000 0.991 88 T CA 0.364 62.135 62.100 -0.549 0.000 0.975 88 T CB -0.408 68.363 68.868 -0.162 0.000 1.196 88 T HN 0.251 nan 8.240 nan 0.000 0.490 89 S N 1.234 116.629 115.700 -0.507 0.000 2.458 89 S HA 0.046 4.516 4.470 -0.001 0.000 0.223 89 S C 1.620 176.077 174.600 -0.238 0.000 1.019 89 S CA 0.043 58.077 58.200 -0.278 0.000 0.937 89 S CB -0.993 62.152 63.200 -0.093 0.000 0.788 89 S HN 0.596 nan 8.310 nan 0.000 0.511 90 F N 1.598 121.562 119.950 0.023 0.000 2.699 90 F HA 0.375 4.901 4.527 -0.001 0.000 0.298 90 F C 0.551 176.404 175.800 0.090 0.000 1.154 90 F CA -1.391 56.618 58.000 0.014 0.000 1.457 90 F CB -1.266 37.708 39.000 -0.044 0.000 1.106 90 F HN 0.435 nan 8.300 nan 0.000 0.585 91 Y N -0.105 120.025 120.300 -0.283 0.000 2.655 91 Y HA 0.547 5.097 4.550 -0.000 0.000 0.336 91 Y C -1.477 174.299 175.900 -0.206 0.000 1.154 91 Y CA -2.180 55.849 58.100 -0.117 0.000 1.055 91 Y CB 0.989 39.465 38.460 0.026 0.000 1.295 91 Y HN -0.107 nan 8.280 nan 0.000 0.465 92 N N 3.758 122.138 118.700 -0.534 0.000 2.546 92 N HA 0.403 5.143 4.740 -0.001 0.000 0.238 92 N C -2.243 172.817 175.510 -0.750 0.000 0.984 92 N CA -2.537 50.125 53.050 -0.647 0.000 0.935 92 N CB 1.430 39.749 38.487 -0.279 0.000 1.122 92 N HN 0.439 nan 8.380 nan 0.000 0.510 93 P HA -0.072 nan 4.420 nan 0.000 0.249 93 P C -0.603 176.575 177.300 -0.205 0.000 1.227 93 P CA 0.913 63.708 63.100 -0.509 0.000 0.753 93 P CB 0.414 31.887 31.700 -0.379 0.000 0.966 94 D N -1.272 119.007 120.400 -0.202 0.000 2.626 94 D HA -0.019 4.620 4.640 -0.001 0.000 0.274 94 D C 1.854 178.100 176.300 -0.090 0.000 1.045 94 D CA 1.373 55.301 54.000 -0.119 0.000 0.925 94 D CB -0.228 40.506 40.800 -0.111 0.000 1.260 94 D HN 0.242 nan 8.370 nan 0.000 0.490 95 T N -1.288 113.210 114.554 -0.095 0.000 3.056 95 T HA 0.070 4.419 4.350 -0.001 0.000 0.241 95 T C 1.021 175.686 174.700 -0.057 0.000 1.006 95 T CA -0.169 61.893 62.100 -0.064 0.000 1.115 95 T CB 0.240 69.078 68.868 -0.051 0.000 0.939 95 T HN 0.128 nan 8.240 nan 0.000 0.462 96 Q N 0.805 120.585 119.800 -0.034 0.000 2.266 96 Q HA 0.644 4.984 4.340 -0.001 0.000 0.261 96 Q C -1.042 175.012 176.000 0.089 0.000 0.985 96 Q CA -1.127 54.689 55.803 0.022 0.000 0.873 96 Q CB 1.899 30.693 28.738 0.094 0.000 1.306 96 Q HN 0.068 nan 8.270 nan 0.000 0.447 97 R N 2.176 122.617 120.500 -0.097 0.000 2.686 97 R HA 0.470 4.810 4.340 -0.001 0.000 0.283 97 R C -0.727 175.488 176.300 -0.142 0.000 0.978 97 R CA -0.912 55.050 56.100 -0.229 0.000 0.897 97 R CB 1.754 31.474 30.300 -0.966 0.000 1.192 97 R HN 0.700 nan 8.270 nan 0.000 0.457 98 L N 2.791 123.923 121.223 -0.151 0.000 2.361 98 L HA 0.307 4.646 4.340 -0.001 0.000 0.278 98 L C 0.004 176.941 176.870 0.111 0.000 1.113 98 L CA -0.430 54.316 54.840 -0.157 0.000 0.849 98 L CB 0.780 42.616 42.059 -0.372 0.000 1.155 98 L HN 0.138 nan 8.230 nan 0.000 0.452 99 V N 2.266 122.233 119.914 0.089 0.000 2.715 99 V HA 0.380 4.499 4.120 -0.001 0.000 0.310 99 V C -0.423 175.624 176.094 -0.080 0.000 1.054 99 V CA -0.691 61.696 62.300 0.145 0.000 0.928 99 V CB 2.065 34.006 31.823 0.197 0.000 1.007 99 V HN 0.601 nan 8.190 nan 0.000 0.437 100 W N 1.806 123.137 121.300 0.053 0.000 2.283 100 W HA 0.674 5.334 4.660 -0.000 0.000 0.341 100 W C 0.233 176.793 176.519 0.068 0.000 1.206 100 W CA -0.020 57.362 57.345 0.062 0.000 1.294 100 W CB 1.272 30.742 29.460 0.016 0.000 1.154 100 W HN 0.686 nan 8.180 nan 0.000 0.613 101 A N 1.609 124.715 122.820 0.476 0.000 2.454 101 A HA 0.691 5.011 4.320 -0.001 0.000 0.302 101 A C -1.739 176.045 177.584 0.334 0.000 1.079 101 A CA -0.639 51.550 52.037 0.253 0.000 0.731 101 A CB 1.367 20.435 19.000 0.112 0.000 1.299 101 A HN 0.684 nan 8.150 nan 0.000 0.413 102 C N 1.832 121.193 119.300 0.102 0.000 2.345 102 C HA 0.668 5.128 4.460 -0.001 0.000 0.323 102 C C 1.158 176.028 174.990 -0.200 0.000 1.276 102 C CA 0.273 59.231 59.018 -0.100 0.000 1.543 102 C CB 0.443 28.093 27.740 -0.151 0.000 2.211 102 C HN 1.372 nan 8.230 nan 0.000 0.493 103 V N 3.293 123.054 119.914 -0.255 0.000 3.562 103 V HA 0.557 4.677 4.120 -0.001 0.000 0.270 103 V C 0.608 176.572 176.094 -0.216 0.000 1.418 103 V CA 0.775 62.936 62.300 -0.232 0.000 1.033 103 V CB -0.082 31.599 31.823 -0.236 0.000 0.820 103 V HN 0.971 nan 8.190 nan 0.000 0.441 104 G N -0.169 108.402 108.800 -0.383 0.000 2.617 104 G HA2 0.661 4.620 3.960 -0.001 0.000 0.306 104 G HA3 0.661 4.620 3.960 -0.001 0.000 0.306 104 G C -1.737 172.802 174.900 -0.602 0.000 1.360 104 G CA -0.597 44.300 45.100 -0.340 0.000 0.983 104 G HN 0.452 nan 8.290 nan 0.000 0.496 105 V N 1.177 120.657 119.914 -0.724 0.000 2.852 105 V HA 0.464 4.584 4.120 -0.001 0.000 0.300 105 V C -1.023 174.480 176.094 -0.985 0.000 1.205 105 V CA -0.762 60.980 62.300 -0.930 0.000 0.940 105 V CB 2.199 33.610 31.823 -0.687 0.000 1.047 105 V HN 0.860 nan 8.190 nan 0.000 0.429 106 E N 3.365 122.967 120.200 -0.997 0.000 2.325 106 E HA 0.445 4.794 4.350 -0.001 0.000 0.248 106 E C -1.185 174.987 176.600 -0.713 0.000 0.912 106 E CA -0.486 55.341 56.400 -0.954 0.000 0.782 106 E CB 1.973 31.249 29.700 -0.707 0.000 1.264 106 E HN 0.513 nan 8.360 nan 0.000 0.417 107 V N 3.964 123.548 119.914 -0.551 0.000 2.400 107 V HA 0.139 4.259 4.120 -0.001 0.000 0.263 107 V C 0.948 176.967 176.094 -0.125 0.000 1.026 107 V CA 0.288 62.481 62.300 -0.178 0.000 1.077 107 V CB 0.341 32.295 31.823 0.218 0.000 1.054 107 V HN 0.653 nan 8.190 nan 0.000 0.477 108 G N 5.799 114.498 108.800 -0.169 0.000 2.415 108 G HA2 0.540 4.500 3.960 -0.001 0.000 0.269 108 G HA3 0.540 4.500 3.960 -0.001 0.000 0.269 108 G C -0.235 174.583 174.900 -0.137 0.000 1.209 108 G CA -0.603 44.418 45.100 -0.131 0.000 0.835 108 G HN 0.517 nan 8.290 nan 0.000 0.534 109 R N 0.757 121.169 120.500 -0.148 0.000 2.575 109 R HA 0.490 4.830 4.340 -0.001 0.000 0.293 109 R C -0.196 176.003 176.300 -0.168 0.000 0.983 109 R CA -0.729 55.216 56.100 -0.259 0.000 0.887 109 R CB 2.227 32.359 30.300 -0.279 0.000 1.184 109 R HN 0.651 nan 8.270 nan 0.000 0.445 110 G N 2.367 111.063 108.800 -0.173 0.000 4.782 110 G HA2 0.277 4.237 3.960 -0.001 0.000 0.327 110 G HA3 0.277 4.237 3.960 -0.001 0.000 0.327 110 G C -0.522 174.332 174.900 -0.077 0.000 1.466 110 G CA -0.160 44.885 45.100 -0.092 0.000 1.017 110 G HN 0.185 nan 8.290 nan 0.000 0.543 111 Q N 1.068 120.822 119.800 -0.077 0.000 2.340 111 Q HA 0.372 4.711 4.340 -0.001 0.000 0.276 111 Q C -2.758 173.227 176.000 -0.026 0.000 1.048 111 Q CA -1.520 54.255 55.803 -0.045 0.000 0.832 111 Q CB 3.469 32.172 28.738 -0.058 0.000 1.373 111 Q HN 0.314 nan 8.270 nan 0.000 0.409 112 P HA 0.062 nan 4.420 nan 0.000 0.269 112 P C -0.420 176.884 177.300 0.006 0.000 1.209 112 P CA -0.374 62.725 63.100 -0.001 0.000 0.776 112 P CB 0.770 32.472 31.700 0.004 0.000 0.876 113 L N 2.305 123.533 121.223 0.008 0.000 2.426 113 L HA 0.560 4.899 4.340 -0.001 0.000 0.271 113 L C 1.355 178.234 176.870 0.016 0.000 1.169 113 L CA 1.480 56.330 54.840 0.016 0.000 0.836 113 L CB -0.013 42.058 42.059 0.019 0.000 1.112 113 L HN 0.823 nan 8.230 nan 0.000 0.465 114 G N 1.207 110.018 108.800 0.019 0.000 2.349 114 G HA2 0.547 4.506 3.960 -0.001 0.000 0.294 114 G HA3 0.547 4.506 3.960 -0.001 0.000 0.294 114 G C -1.796 173.109 174.900 0.007 0.000 1.380 114 G CA -0.069 45.037 45.100 0.011 0.000 0.811 114 G HN 0.708 nan 8.290 nan 0.000 0.519 115 V N -2.033 117.878 119.914 -0.006 0.000 2.789 115 V HA 0.964 5.083 4.120 -0.001 0.000 0.311 115 V C 0.482 176.549 176.094 -0.045 0.000 1.073 115 V CA -0.209 62.085 62.300 -0.010 0.000 0.921 115 V CB 1.507 33.333 31.823 0.005 0.000 1.009 115 V HN 1.769 nan 8.190 nan 0.000 0.426 116 G N 2.855 111.618 108.800 -0.062 0.000 2.372 116 G HA2 0.637 4.597 3.960 -0.001 0.000 0.283 116 G HA3 0.637 4.597 3.960 -0.001 0.000 0.283 116 G C -0.863 173.992 174.900 -0.075 0.000 1.177 116 G CA -0.584 44.447 45.100 -0.114 0.000 0.842 116 G HN 1.030 nan 8.290 nan 0.000 0.503 117 I N 1.448 121.969 120.570 -0.082 0.000 2.436 117 I HA 0.545 4.714 4.170 -0.001 0.000 0.289 117 I C -0.348 175.779 176.117 0.016 0.000 1.010 117 I CA -0.456 60.808 61.300 -0.061 0.000 1.098 117 I CB 1.873 39.859 38.000 -0.024 0.000 1.266 117 I HN 0.449 nan 8.210 nan 0.000 0.434 118 S N 3.910 119.591 115.700 -0.033 0.000 2.677 118 S HA 0.985 5.455 4.470 -0.001 0.000 0.304 118 S C -0.225 174.477 174.600 0.170 0.000 1.108 118 S CA -0.528 57.864 58.200 0.320 0.000 0.944 118 S CB 2.014 65.291 63.200 0.129 0.000 1.127 118 S HN 0.913 nan 8.310 nan 0.000 0.511 119 G N 0.085 109.023 108.800 0.230 0.000 2.548 119 G HA2 0.532 4.492 3.960 -0.001 0.000 0.301 119 G HA3 0.532 4.492 3.960 -0.001 0.000 0.301 119 G C -2.265 172.697 174.900 0.104 0.000 1.349 119 G CA -0.410 44.750 45.100 0.099 0.000 0.792 119 G HN 0.623 nan 8.290 nan 0.000 0.481 120 H N 0.030 119.099 119.070 -0.001 0.000 2.877 120 H HA 0.432 4.987 4.556 -0.001 0.000 0.347 120 H C -2.164 173.140 175.328 -0.040 0.000 1.042 120 H CA -1.659 54.372 56.048 -0.028 0.000 1.276 120 H CB 2.935 32.687 29.762 -0.018 0.000 1.681 120 H HN 0.137 nan 8.280 nan 0.000 0.521 121 P HA -0.041 nan 4.420 nan 0.000 0.221 121 P C 0.127 177.550 177.300 0.205 0.000 1.145 121 P CA 1.154 64.333 63.100 0.131 0.000 0.795 121 P CB 0.298 32.002 31.700 0.008 0.000 0.775 122 L N -1.361 120.127 121.223 0.441 0.000 2.625 122 L HA 0.284 4.623 4.340 -0.001 0.000 0.255 122 L C -0.322 176.337 176.870 -0.351 0.000 1.493 122 L CA -1.010 53.839 54.840 0.015 0.000 0.796 122 L CB 0.628 42.709 42.059 0.037 0.000 1.064 122 L HN -0.141 nan 8.230 nan 0.000 0.516 123 L N 1.732 122.824 121.223 -0.219 0.000 2.477 123 L HA 0.157 4.497 4.340 -0.001 0.000 0.272 123 L C 0.896 177.648 176.870 -0.197 0.000 1.157 123 L CA 0.550 55.236 54.840 -0.258 0.000 0.889 123 L CB 0.374 42.410 42.059 -0.038 0.000 1.158 123 L HN 0.320 nan 8.230 nan 0.000 0.473 124 N N 5.529 124.080 118.700 -0.249 0.000 2.543 124 N HA -0.018 4.722 4.740 -0.001 0.000 0.289 124 N C -0.835 174.677 175.510 0.004 0.000 1.223 124 N CA 0.291 53.248 53.050 -0.154 0.000 1.080 124 N CB -0.260 38.108 38.487 -0.198 0.000 1.450 124 N HN 0.553 nan 8.380 nan 0.000 0.501 125 K N 3.568 123.975 120.400 0.011 0.000 2.345 125 K HA 0.164 4.483 4.320 -0.001 0.000 0.255 125 K C 0.076 176.616 176.600 -0.099 0.000 0.934 125 K CA -0.599 55.704 56.287 0.027 0.000 0.801 125 K CB 1.651 34.018 32.500 -0.222 0.000 1.137 125 K HN 0.279 nan 8.250 nan 0.000 0.424 126 L N 3.311 124.488 121.223 -0.078 0.000 2.228 126 L HA 0.222 4.562 4.340 -0.001 0.000 0.196 126 L C -0.383 176.412 176.870 -0.125 0.000 1.162 126 L CA 1.551 56.341 54.840 -0.082 0.000 0.801 126 L CB -0.058 41.976 42.059 -0.042 0.000 0.983 126 L HN 0.887 nan 8.230 nan 0.000 0.471 127 D N -2.234 118.098 120.400 -0.113 0.000 2.583 127 D HA 0.271 4.910 4.640 -0.001 0.000 0.248 127 D C -1.490 174.788 176.300 -0.036 0.000 1.209 127 D CA -0.621 53.319 54.000 -0.098 0.000 0.848 127 D CB 0.432 41.199 40.800 -0.055 0.000 1.431 127 D HN 0.073 nan 8.370 nan 0.000 0.436 128 D N -1.240 119.169 120.400 0.015 0.000 2.390 128 D HA 0.292 4.932 4.640 -0.001 0.000 0.249 128 D C 0.651 177.012 176.300 0.102 0.000 1.144 128 D CA -0.007 54.084 54.000 0.151 0.000 0.880 128 D CB 0.982 41.865 40.800 0.138 0.000 1.182 128 D HN 0.408 nan 8.370 nan 0.000 0.451 129 T N 0.354 114.981 114.554 0.123 0.000 3.023 129 T HA 0.016 4.366 4.350 -0.001 0.000 0.253 129 T C 1.453 176.169 174.700 0.027 0.000 1.038 129 T CA -0.048 62.102 62.100 0.083 0.000 0.962 129 T CB -0.045 68.918 68.868 0.157 0.000 1.018 129 T HN 0.596 nan 8.240 nan 0.000 0.521 130 E N 2.340 122.556 120.200 0.027 0.000 2.150 130 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 130 E C 0.500 177.094 176.600 -0.010 0.000 0.985 130 E CA 0.856 57.250 56.400 -0.010 0.000 0.814 130 E CB 0.109 29.814 29.700 0.009 0.000 0.752 130 E HN 0.450 nan 8.360 nan 0.000 0.466 131 N N -0.456 118.248 118.700 0.007 0.000 2.616 131 N HA 0.284 5.024 4.740 -0.001 0.000 0.281 131 N C -1.720 173.788 175.510 -0.003 0.000 1.145 131 N CA -0.018 53.030 53.050 -0.003 0.000 0.919 131 N CB 1.613 40.101 38.487 0.002 0.000 1.509 131 N HN 0.233 nan 8.380 nan 0.000 0.537 132 A N 1.614 124.422 122.820 -0.020 0.000 2.269 132 A HA 0.641 4.961 4.320 -0.001 0.000 0.319 132 A C 0.893 178.466 177.584 -0.017 0.000 1.110 132 A CA 0.107 52.126 52.037 -0.030 0.000 0.847 132 A CB 0.640 19.596 19.000 -0.072 0.000 1.161 132 A HN 0.911 nan 8.150 nan 0.000 0.497 133 S N -1.086 114.608 115.700 -0.010 0.000 2.559 133 S HA 0.608 5.078 4.470 -0.001 0.000 0.226 133 S C 0.280 174.886 174.600 0.010 0.000 1.030 133 S CA 0.598 58.799 58.200 0.001 0.000 0.956 133 S CB 0.072 63.275 63.200 0.006 0.000 0.900 133 S HN 2.262 nan 8.310 nan 0.000 0.510 134 A N 0.217 123.042 122.820 0.008 0.000 2.581 134 A HA 0.537 4.857 4.320 -0.001 0.000 0.294 134 A C -1.485 176.128 177.584 0.048 0.000 1.035 134 A CA -0.850 51.211 52.037 0.040 0.000 0.684 134 A CB -0.193 18.835 19.000 0.047 0.000 1.282 134 A HN 0.300 nan 8.150 nan 0.000 0.417 135 Y N 1.715 122.018 120.300 0.005 0.000 2.805 135 Y HA 0.258 4.808 4.550 -0.000 0.000 0.331 135 Y C 1.249 177.148 175.900 -0.003 0.000 1.241 135 Y CA 1.441 59.542 58.100 0.002 0.000 1.546 135 Y CB 0.458 38.918 38.460 0.000 0.000 1.248 135 Y HN 1.086 nan 8.280 nan 0.000 0.559 136 A N 4.679 127.577 122.820 0.130 0.000 2.547 136 A HA 0.413 4.733 4.320 -0.001 0.000 0.233 136 A C -0.026 177.656 177.584 0.162 0.000 1.067 136 A CA 0.045 52.148 52.037 0.110 0.000 0.763 136 A CB -0.234 18.788 19.000 0.037 0.000 1.007 136 A HN 0.950 nan 8.150 nan 0.000 0.506 137 A N 2.928 125.794 122.820 0.077 0.000 2.301 137 A HA 0.521 4.841 4.320 -0.001 0.000 0.298 137 A C 0.439 178.045 177.584 0.036 0.000 1.185 137 A CA -0.691 51.376 52.037 0.050 0.000 0.830 137 A CB -0.210 18.804 19.000 0.024 0.000 1.112 137 A HN 0.933 nan 8.150 nan 0.000 0.508 138 N N 0.516 119.233 118.700 0.029 0.000 2.142 138 N HA 0.122 4.861 4.740 -0.001 0.000 0.235 138 N C 0.237 175.749 175.510 0.004 0.000 1.248 138 N CA 1.422 54.481 53.050 0.015 0.000 0.855 138 N CB 0.213 38.700 38.487 -0.001 0.000 1.079 138 N HN 0.824 nan 8.380 nan 0.000 0.454 139 A N 0.896 123.714 122.820 -0.003 0.000 2.478 139 A HA 0.540 4.860 4.320 -0.001 0.000 0.327 139 A C 1.370 178.945 177.584 -0.016 0.000 1.431 139 A CA -0.162 51.867 52.037 -0.013 0.000 1.014 139 A CB -0.557 18.431 19.000 -0.018 0.000 1.143 139 A HN 0.679 nan 8.150 nan 0.000 0.532 140 G N 1.325 110.115 108.800 -0.017 0.000 2.304 140 G HA2 0.081 4.041 3.960 -0.001 0.000 0.192 140 G HA3 0.081 4.041 3.960 -0.001 0.000 0.192 140 G C 0.264 175.151 174.900 -0.021 0.000 1.314 140 G CA 1.373 46.462 45.100 -0.018 0.000 0.966 140 G HN 1.115 nan 8.290 nan 0.000 0.550 141 V N 0.048 119.948 119.914 -0.023 0.000 2.733 141 V HA 0.479 4.599 4.120 -0.001 0.000 0.306 141 V C -0.646 175.429 176.094 -0.030 0.000 1.084 141 V CA 0.085 62.369 62.300 -0.026 0.000 0.905 141 V CB 1.770 33.579 31.823 -0.023 0.000 1.010 141 V HN 0.832 nan 8.190 nan 0.000 0.424 142 D N 3.106 123.485 120.400 -0.036 0.000 3.061 142 D HA -0.150 4.490 4.640 -0.001 0.000 0.252 142 D C 0.582 176.856 176.300 -0.044 0.000 1.080 142 D CA 0.792 54.767 54.000 -0.041 0.000 0.871 142 D CB -0.655 40.124 40.800 -0.035 0.000 1.018 142 D HN 0.791 nan 8.370 nan 0.000 0.425 143 N N 0.361 119.031 118.700 -0.050 0.000 2.405 143 N HA 0.063 4.803 4.740 -0.001 0.000 0.175 143 N C 0.074 175.544 175.510 -0.067 0.000 1.051 143 N CA -0.065 52.953 53.050 -0.054 0.000 0.899 143 N CB 0.237 38.692 38.487 -0.054 0.000 1.000 143 N HN 0.337 nan 8.380 nan 0.000 0.451 144 R N 1.718 122.174 120.500 -0.074 0.000 2.448 144 R HA -0.156 4.184 4.340 -0.001 0.000 0.272 144 R C -0.134 176.121 176.300 -0.074 0.000 0.935 144 R CA 0.930 56.978 56.100 -0.086 0.000 1.084 144 R CB -0.303 29.941 30.300 -0.095 0.000 0.840 144 R HN 0.420 nan 8.270 nan 0.000 0.432 145 E N 0.798 120.949 120.200 -0.081 0.000 2.458 145 E HA 0.246 4.596 4.350 -0.001 0.000 0.278 145 E C -1.195 175.383 176.600 -0.037 0.000 1.004 145 E CA -1.003 55.357 56.400 -0.067 0.000 0.823 145 E CB 1.511 31.152 29.700 -0.097 0.000 1.396 145 E HN 0.500 nan 8.360 nan 0.000 0.463 146 C N 2.288 121.575 119.300 -0.022 0.000 2.227 146 C HA 0.576 5.036 4.460 -0.001 0.000 0.333 146 C C -0.218 174.779 174.990 0.012 0.000 1.145 146 C CA -0.094 58.929 59.018 0.008 0.000 1.643 146 C CB -2.174 25.566 27.740 -0.001 0.000 2.185 146 C HN 0.417 nan 8.230 nan 0.000 0.497 147 I N 4.682 125.280 120.570 0.046 0.000 3.174 147 I HA 0.679 4.849 4.170 -0.001 0.000 0.313 147 I C -0.041 176.136 176.117 0.101 0.000 1.155 147 I CA -0.279 61.066 61.300 0.075 0.000 0.977 147 I CB 2.542 40.613 38.000 0.118 0.000 1.248 147 I HN 0.653 nan 8.210 nan 0.000 0.453 148 S N 2.521 118.283 115.700 0.103 0.000 2.661 148 S HA 0.826 5.296 4.470 -0.001 0.000 0.268 148 S C -0.880 173.738 174.600 0.031 0.000 1.162 148 S CA -0.738 57.504 58.200 0.071 0.000 0.817 148 S CB 2.640 65.867 63.200 0.045 0.000 1.141 148 S HN 0.758 nan 8.310 nan 0.000 0.477 149 M N -0.463 119.098 119.600 -0.065 0.000 3.855 149 M HA 0.589 5.069 4.480 -0.001 0.000 0.367 149 M C -2.370 173.806 176.300 -0.206 0.000 1.680 149 M CA -0.594 54.632 55.300 -0.124 0.000 0.869 149 M CB 0.710 33.237 32.600 -0.123 0.000 2.350 149 M HN 0.794 nan 8.290 nan 0.000 0.481 150 D N 0.893 121.171 120.400 -0.204 0.000 2.378 150 D HA 0.374 5.013 4.640 -0.001 0.000 0.265 150 D C -1.030 175.219 176.300 -0.085 0.000 1.229 150 D CA -0.203 53.703 54.000 -0.157 0.000 0.914 150 D CB -0.152 40.600 40.800 -0.079 0.000 1.140 150 D HN 0.597 nan 8.370 nan 0.000 0.516 151 Y N 1.417 121.693 120.300 -0.040 0.000 2.748 151 Y HA -0.183 4.367 4.550 -0.001 0.000 0.352 151 Y C 1.734 177.601 175.900 -0.055 0.000 1.274 151 Y CA -0.241 57.823 58.100 -0.060 0.000 1.472 151 Y CB 0.726 39.186 38.460 0.000 0.000 1.350 151 Y HN 0.294 nan 8.280 nan 0.000 0.672 152 K N 2.238 122.728 120.400 0.150 0.000 2.412 152 K HA 0.034 4.353 4.320 -0.001 0.000 0.281 152 K C -0.590 176.061 176.600 0.086 0.000 1.027 152 K CA -0.479 55.851 56.287 0.071 0.000 0.989 152 K CB 0.589 33.111 32.500 0.037 0.000 0.935 152 K HN 0.570 nan 8.250 nan 0.000 0.475 153 Q N 2.660 122.510 119.800 0.083 0.000 2.262 153 Q HA 0.042 4.382 4.340 -0.001 0.000 0.272 153 Q C -0.897 175.154 176.000 0.084 0.000 1.076 153 Q CA 0.418 56.272 55.803 0.085 0.000 0.905 153 Q CB 0.729 29.515 28.738 0.081 0.000 1.182 153 Q HN 0.681 nan 8.270 nan 0.000 0.390 154 T N 4.145 118.750 114.554 0.084 0.000 2.824 154 T HA 0.373 4.723 4.350 -0.001 0.000 0.282 154 T C -0.837 173.933 174.700 0.117 0.000 0.993 154 T CA -0.650 61.506 62.100 0.093 0.000 0.967 154 T CB 1.620 70.532 68.868 0.073 0.000 0.960 154 T HN 0.519 nan 8.240 nan 0.000 0.441 155 Q N 2.890 122.773 119.800 0.137 0.000 2.337 155 Q HA 0.582 4.921 4.340 -0.001 0.000 0.260 155 Q C -1.700 174.394 176.000 0.156 0.000 0.982 155 Q CA -0.819 55.114 55.803 0.216 0.000 0.734 155 Q CB 0.691 29.526 28.738 0.162 0.000 1.272 155 Q HN 0.649 nan 8.270 nan 0.000 0.461 156 L N 0.483 121.860 121.223 0.257 0.000 2.409 156 L HA 0.970 5.309 4.340 -0.001 0.000 0.255 156 L C -1.594 175.471 176.870 0.324 0.000 1.027 156 L CA -0.929 54.012 54.840 0.170 0.000 0.834 156 L CB 1.977 44.136 42.059 0.166 0.000 1.426 156 L HN 0.563 nan 8.230 nan 0.000 0.411 157 C N 1.610 121.005 119.300 0.157 0.000 2.891 157 C HA 0.844 5.304 4.460 -0.001 0.000 0.342 157 C C -1.536 173.522 174.990 0.114 0.000 1.126 157 C CA -0.455 58.697 59.018 0.223 0.000 1.322 157 C CB 0.845 28.747 27.740 0.271 0.000 1.763 157 C HN 0.910 nan 8.230 nan 0.000 0.491 158 L N 6.207 127.547 121.223 0.196 0.000 2.436 158 L HA 0.700 5.039 4.340 -0.001 0.000 0.268 158 L C -0.780 176.212 176.870 0.204 0.000 0.974 158 L CA -0.549 54.391 54.840 0.166 0.000 0.826 158 L CB 1.830 43.965 42.059 0.126 0.000 1.291 158 L HN 0.556 nan 8.230 nan 0.000 0.406 159 I N 1.714 122.421 120.570 0.229 0.000 2.533 159 I HA 0.818 4.988 4.170 -0.001 0.000 0.290 159 I C 0.121 176.123 176.117 -0.191 0.000 1.056 159 I CA -0.388 61.052 61.300 0.235 0.000 1.057 159 I CB 2.188 40.514 38.000 0.544 0.000 1.240 159 I HN 0.721 nan 8.210 nan 0.000 0.423 160 G N 2.571 111.180 108.800 -0.318 0.000 2.606 160 G HA2 0.396 4.355 3.960 -0.001 0.000 0.300 160 G HA3 0.396 4.355 3.960 -0.001 0.000 0.300 160 G C -0.145 174.581 174.900 -0.291 0.000 1.360 160 G CA -0.269 44.428 45.100 -0.672 0.000 0.783 160 G HN 0.732 nan 8.290 nan 0.000 0.484 161 C N -1.355 117.800 119.300 -0.242 0.000 3.070 161 C HA 0.562 5.022 4.460 -0.001 0.000 0.280 161 C C 0.370 175.280 174.990 -0.134 0.000 1.264 161 C CA -0.693 58.247 59.018 -0.131 0.000 1.690 161 C CB -0.835 26.907 27.740 0.003 0.000 2.049 161 C HN 0.366 nan 8.230 nan 0.000 0.636 162 K N 2.013 122.409 120.400 -0.007 0.000 2.238 162 K HA 0.603 4.923 4.320 -0.001 0.000 0.239 162 K C -2.924 173.868 176.600 0.321 0.000 0.987 162 K CA -1.899 54.458 56.287 0.116 0.000 0.857 162 K CB 0.915 33.429 32.500 0.023 0.000 1.154 162 K HN 0.014 nan 8.250 nan 0.000 0.439 163 P HA 0.203 nan 4.420 nan 0.000 0.274 163 P C -2.490 174.655 177.300 -0.259 0.000 1.237 163 P CA -1.300 61.539 63.100 -0.435 0.000 0.793 163 P CB -0.281 31.024 31.700 -0.658 0.000 0.977 164 P HA 0.308 nan 4.420 nan 0.000 0.274 164 P C -0.449 176.724 177.300 -0.212 0.000 1.231 164 P CA 0.023 63.002 63.100 -0.200 0.000 0.790 164 P CB 0.747 32.338 31.700 -0.181 0.000 0.951 165 I N 1.577 122.031 120.570 -0.193 0.000 2.437 165 I HA 0.295 4.464 4.170 -0.001 0.000 0.279 165 I C 1.174 177.160 176.117 -0.219 0.000 1.028 165 I CA -0.501 60.689 61.300 -0.184 0.000 1.142 165 I CB 1.306 39.223 38.000 -0.138 0.000 1.266 165 I HN 0.368 nan 8.210 nan 0.000 0.461 166 G N 5.056 113.718 108.800 -0.231 0.000 2.653 166 G HA2 0.447 4.406 3.960 -0.001 0.000 0.265 166 G HA3 0.447 4.406 3.960 -0.001 0.000 0.265 166 G C -0.530 174.298 174.900 -0.120 0.000 1.237 166 G CA -0.199 44.773 45.100 -0.215 0.000 0.946 166 G HN 0.718 nan 8.290 nan 0.000 0.522 167 E N -1.236 118.926 120.200 -0.064 0.000 2.383 167 E HA 0.621 4.971 4.350 -0.001 0.000 0.275 167 E C -1.242 175.404 176.600 0.078 0.000 0.918 167 E CA -1.070 55.305 56.400 -0.043 0.000 0.764 167 E CB 2.351 31.968 29.700 -0.138 0.000 1.252 167 E HN 0.820 nan 8.360 nan 0.000 0.449 168 H N -0.014 118.920 119.070 -0.227 0.000 3.081 168 H HA 0.190 4.746 4.556 -0.001 0.000 0.322 168 H C -1.789 173.393 175.328 -0.243 0.000 1.266 168 H CA -1.181 54.751 56.048 -0.194 0.000 1.279 168 H CB -0.325 29.382 29.762 -0.092 0.000 1.954 168 H HN 0.654 nan 8.280 nan 0.000 0.530 169 W N 1.424 122.650 121.300 -0.123 0.000 2.030 169 W HA 0.574 5.234 4.660 -0.000 0.000 0.360 169 W C 0.880 177.305 176.519 -0.156 0.000 1.370 169 W CA 1.242 58.491 57.345 -0.160 0.000 1.433 169 W CB 0.848 30.279 29.460 -0.049 0.000 1.204 169 W HN 1.004 nan 8.180 nan 0.000 0.649 170 G N -0.069 108.858 108.800 0.211 0.000 2.349 170 G HA2 0.299 4.259 3.960 -0.001 0.000 0.294 170 G HA3 0.299 4.259 3.960 -0.001 0.000 0.294 170 G C -2.115 172.845 174.900 0.100 0.000 1.380 170 G CA -1.190 43.974 45.100 0.106 0.000 0.811 170 G HN 0.341 nan 8.290 nan 0.000 0.519 171 K N 0.172 120.615 120.400 0.072 0.000 2.263 171 K HA 0.565 4.885 4.320 -0.001 0.000 0.272 171 K C 0.162 176.788 176.600 0.043 0.000 1.033 171 K CA -0.372 55.949 56.287 0.058 0.000 0.884 171 K CB 0.995 33.523 32.500 0.046 0.000 1.107 171 K HN 0.734 nan 8.250 nan 0.000 0.460 172 G N 2.979 111.806 108.800 0.046 0.000 3.444 172 G HA2 0.069 4.028 3.960 -0.001 0.000 0.315 172 G HA3 0.069 4.028 3.960 -0.001 0.000 0.315 172 G C -0.376 174.541 174.900 0.028 0.000 1.079 172 G CA -0.453 44.667 45.100 0.033 0.000 1.500 172 G HN 0.680 nan 8.290 nan 0.000 0.518 173 S N 2.179 117.893 115.700 0.023 0.000 4.474 173 S HA -0.116 4.353 4.470 -0.001 0.000 0.535 173 S C -0.846 173.765 174.600 0.018 0.000 1.029 173 S CA -0.166 58.045 58.200 0.018 0.000 0.913 173 S CB 0.209 63.417 63.200 0.014 0.000 1.054 173 S HN 0.565 nan 8.310 nan 0.000 0.442 174 P HA -0.093 nan 4.420 nan 0.000 0.291 174 P C -0.021 177.288 177.300 0.015 0.000 1.855 174 P CA 0.065 63.175 63.100 0.016 0.000 1.607 174 P CB 0.409 32.117 31.700 0.012 0.000 0.655 175 C N -1.543 117.765 119.300 0.013 0.000 2.507 175 C HA 0.285 4.745 4.460 -0.001 0.000 0.319 175 C C 0.167 175.163 174.990 0.009 0.000 1.208 175 C CA -0.172 58.853 59.018 0.012 0.000 1.619 175 C CB 0.843 28.591 27.740 0.013 0.000 2.230 175 C HN 0.464 nan 8.230 nan 0.000 0.492 176 T N 4.651 119.210 114.554 0.009 0.000 4.216 176 T HA 0.164 4.513 4.350 -0.001 0.000 0.221 176 T C -0.314 174.389 174.700 0.006 0.000 0.939 176 T CA 0.626 62.730 62.100 0.007 0.000 1.218 176 T CB -0.950 67.922 68.868 0.006 0.000 1.266 176 T HN 0.764 nan 8.240 nan 0.000 0.917 177 Q N -0.340 119.464 119.800 0.006 0.000 2.527 177 Q HA 0.404 4.743 4.340 -0.001 0.000 0.280 177 Q C -0.858 175.145 176.000 0.005 0.000 0.977 177 Q CA -1.374 54.433 55.803 0.006 0.000 0.837 177 Q CB 1.878 30.620 28.738 0.006 0.000 1.454 177 Q HN 0.078 nan 8.270 nan 0.000 0.387 178 V N 1.109 121.026 119.914 0.005 0.000 5.908 178 V HA -0.301 3.819 4.120 -0.001 0.000 0.169 178 V C 1.097 177.193 176.094 0.004 0.000 0.736 178 V CA 1.311 63.613 62.300 0.004 0.000 0.590 178 V CB -1.312 30.513 31.823 0.004 0.000 0.574 178 V HN 0.980 nan 8.190 nan 0.000 0.390 179 A N 4.812 127.634 122.820 0.003 0.000 1.941 179 A HA 0.333 4.653 4.320 -0.001 0.000 0.207 179 A C 0.843 178.428 177.584 0.003 0.000 1.467 179 A CA 0.635 52.674 52.037 0.003 0.000 1.520 179 A CB -1.083 17.919 19.000 0.003 0.000 0.718 179 A HN 2.073 nan 8.150 nan 0.000 0.608 180 V N -2.079 117.837 119.914 0.003 0.000 3.754 180 V HA -0.211 3.908 4.120 -0.001 0.000 0.534 180 V C 0.257 176.351 176.094 0.001 0.000 0.682 180 V CA 1.054 63.355 62.300 0.002 0.000 2.094 180 V CB -0.686 31.139 31.823 0.002 0.000 2.494 180 V HN 0.866 nan 8.190 nan 0.000 0.518 181 Q N 5.702 125.502 119.800 -0.000 0.000 2.331 181 Q HA 0.340 4.679 4.340 -0.001 0.000 0.257 181 Q C -2.461 173.537 176.000 -0.002 0.000 0.957 181 Q CA -2.214 53.588 55.803 -0.001 0.000 0.923 181 Q CB 1.593 30.331 28.738 -0.001 0.000 1.212 181 Q HN 0.665 nan 8.270 nan 0.000 0.443 182 P HA -0.109 nan 4.420 nan 0.000 0.235 182 P C 0.134 177.431 177.300 -0.005 0.000 1.068 182 P CA 1.309 64.407 63.100 -0.003 0.000 0.934 182 P CB -0.129 31.569 31.700 -0.004 0.000 0.863 183 G N 2.820 111.617 108.800 -0.005 0.000 4.203 183 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.197 183 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.197 183 G C -0.307 174.589 174.900 -0.006 0.000 1.112 183 G CA -0.548 44.547 45.100 -0.007 0.000 0.856 183 G HN 0.407 nan 8.290 nan 0.000 0.317 184 D N 1.682 122.080 120.400 -0.004 0.000 2.660 184 D HA 0.246 4.886 4.640 -0.001 0.000 0.253 184 D C 1.128 177.426 176.300 -0.003 0.000 1.256 184 D CA 0.583 54.581 54.000 -0.003 0.000 0.914 184 D CB 0.177 40.976 40.800 -0.001 0.000 1.137 184 D HN 0.515 nan 8.370 nan 0.000 0.542 185 C N 5.026 124.322 119.300 -0.006 0.000 2.354 185 C HA -0.050 4.410 4.460 -0.001 0.000 0.388 185 C C -1.602 173.385 174.990 -0.004 0.000 1.441 185 C CA -1.256 57.757 59.018 -0.008 0.000 1.562 185 C CB -0.367 27.365 27.740 -0.014 0.000 2.552 185 C HN 0.554 nan 8.230 nan 0.000 0.583 186 P HA 0.146 nan 4.420 nan 0.000 0.264 186 P C -2.373 174.931 177.300 0.007 0.000 1.183 186 P CA -0.046 63.059 63.100 0.008 0.000 0.763 186 P CB -0.013 31.696 31.700 0.014 0.000 0.807 187 P HA 0.006 nan 4.420 nan 0.000 0.261 187 P C -0.292 177.037 177.300 0.049 0.000 1.203 187 P CA 0.422 63.540 63.100 0.029 0.000 0.767 187 P CB 0.209 31.929 31.700 0.034 0.000 0.785 188 L N 3.699 124.949 121.223 0.044 0.000 2.456 188 L HA 0.442 4.782 4.340 -0.001 0.000 0.257 188 L C 0.625 177.644 176.870 0.247 0.000 1.162 188 L CA 0.218 55.124 54.840 0.111 0.000 0.808 188 L CB 0.431 42.448 42.059 -0.069 0.000 1.136 188 L HN 0.463 nan 8.230 nan 0.000 0.466 189 E N 1.641 122.087 120.200 0.410 0.000 2.522 189 E HA 0.135 4.484 4.350 -0.001 0.000 0.315 189 E C -1.663 174.920 176.600 -0.028 0.000 0.917 189 E CA -0.690 55.841 56.400 0.219 0.000 0.796 189 E CB 1.543 31.286 29.700 0.071 0.000 1.323 189 E HN 0.339 nan 8.360 nan 0.000 0.397 190 L N 6.176 127.199 121.223 -0.333 0.000 2.462 190 L HA 0.382 4.722 4.340 -0.001 0.000 0.272 190 L C -1.019 175.583 176.870 -0.447 0.000 1.166 190 L CA 0.512 54.890 54.840 -0.770 0.000 0.880 190 L CB 0.288 41.840 42.059 -0.845 0.000 1.142 190 L HN 0.456 nan 8.230 nan 0.000 0.473 191 I N 5.303 125.560 120.570 -0.520 0.000 2.465 191 I HA 0.370 4.540 4.170 -0.001 0.000 0.291 191 I C -0.250 175.726 176.117 -0.235 0.000 1.014 191 I CA -0.744 60.333 61.300 -0.372 0.000 1.093 191 I CB 1.584 39.286 38.000 -0.496 0.000 1.267 191 I HN 0.574 nan 8.210 nan 0.000 0.431 192 N N 3.096 121.728 118.700 -0.112 0.000 2.489 192 N HA 0.574 5.314 4.740 -0.001 0.000 0.284 192 N C -0.491 175.016 175.510 -0.005 0.000 1.158 192 N CA -0.045 52.962 53.050 -0.071 0.000 0.965 192 N CB 2.521 40.961 38.487 -0.079 0.000 1.195 192 N HN 0.663 nan 8.380 nan 0.000 0.506 193 T N -1.395 113.152 114.554 -0.011 0.000 2.775 193 T HA 0.234 4.584 4.350 -0.001 0.000 0.320 193 T C -1.531 173.131 174.700 -0.063 0.000 1.597 193 T CA -0.605 61.496 62.100 0.003 0.000 1.022 193 T CB 0.538 69.436 68.868 0.050 0.000 1.485 193 T HN 0.020 nan 8.240 nan 0.000 0.494 194 V N 3.749 123.637 119.914 -0.043 0.000 2.488 194 V HA 0.413 4.532 4.120 -0.001 0.000 0.277 194 V C 0.564 176.581 176.094 -0.129 0.000 1.046 194 V CA -0.471 61.748 62.300 -0.135 0.000 0.986 194 V CB 0.805 32.448 31.823 -0.300 0.000 0.989 194 V HN 0.694 nan 8.190 nan 0.000 0.475 195 I N 5.784 126.231 120.570 -0.205 0.000 2.278 195 I HA 0.208 4.378 4.170 -0.001 0.000 0.296 195 I C 0.599 176.633 176.117 -0.138 0.000 1.121 195 I CA 0.038 61.156 61.300 -0.302 0.000 1.267 195 I CB 0.270 37.959 38.000 -0.518 0.000 1.447 195 I HN 0.707 nan 8.210 nan 0.000 0.509 196 Q N 3.635 123.383 119.800 -0.086 0.000 2.256 196 Q HA 0.191 4.530 4.340 -0.001 0.000 0.232 196 Q C -0.382 175.595 176.000 -0.039 0.000 0.965 196 Q CA -0.829 54.933 55.803 -0.068 0.000 0.908 196 Q CB 1.217 29.815 28.738 -0.234 0.000 1.209 196 Q HN 0.439 nan 8.270 nan 0.000 0.489 197 D N -0.864 119.544 120.400 0.013 0.000 2.533 197 D HA 0.136 4.776 4.640 -0.001 0.000 0.236 197 D C 0.860 177.157 176.300 -0.005 0.000 1.137 197 D CA 2.143 56.160 54.000 0.029 0.000 0.867 197 D CB 0.155 40.970 40.800 0.025 0.000 1.170 197 D HN 0.675 nan 8.370 nan 0.000 0.474 198 G N 3.220 112.050 108.800 0.049 0.000 2.279 198 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.223 198 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.223 198 G C 0.055 175.000 174.900 0.075 0.000 1.015 198 G CA 0.016 45.141 45.100 0.042 0.000 0.621 198 G HN 0.645 nan 8.290 nan 0.000 0.506 199 D N 1.852 122.296 120.400 0.072 0.000 2.478 199 D HA 0.314 4.954 4.640 -0.001 0.000 0.234 199 D C 1.085 177.526 176.300 0.235 0.000 1.154 199 D CA 0.429 54.479 54.000 0.084 0.000 0.874 199 D CB 0.318 41.090 40.800 -0.047 0.000 1.198 199 D HN 0.078 nan 8.370 nan 0.000 0.455 200 M N 1.927 121.622 119.600 0.158 0.000 2.162 200 M HA 0.108 4.588 4.480 -0.001 0.000 0.356 200 M C 0.416 176.838 176.300 0.202 0.000 1.303 200 M CA -0.703 54.688 55.300 0.152 0.000 1.116 200 M CB 0.619 33.276 32.600 0.094 0.000 1.632 200 M HN 0.192 nan 8.290 nan 0.000 0.469 201 V N 0.422 120.361 119.914 0.041 0.000 3.766 201 V HA 0.265 4.385 4.120 -0.001 0.000 0.286 201 V C 0.408 176.511 176.094 0.013 0.000 1.055 201 V CA -0.682 61.564 62.300 -0.090 0.000 1.060 201 V CB 0.280 31.943 31.823 -0.266 0.000 1.210 201 V HN 0.767 nan 8.190 nan 0.000 0.457 202 D N -0.002 120.428 120.400 0.049 0.000 2.339 202 D HA 0.380 5.020 4.640 -0.001 0.000 0.245 202 D C 0.784 177.060 176.300 -0.041 0.000 1.115 202 D CA 0.554 54.595 54.000 0.069 0.000 0.917 202 D CB 1.523 42.385 40.800 0.103 0.000 1.192 202 D HN 1.017 nan 8.370 nan 0.000 0.428 203 T N -0.552 113.966 114.554 -0.061 0.000 3.209 203 T HA 0.470 4.819 4.350 -0.001 0.000 0.295 203 T C 1.007 175.690 174.700 -0.027 0.000 0.977 203 T CA 0.372 62.334 62.100 -0.230 0.000 0.922 203 T CB 0.343 68.639 68.868 -0.952 0.000 1.152 203 T HN 0.543 nan 8.240 nan 0.000 0.527 204 G N 1.225 110.007 108.800 -0.030 0.000 2.797 204 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.195 204 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.195 204 G C 0.259 175.064 174.900 -0.159 0.000 1.026 204 G CA -0.417 44.587 45.100 -0.159 0.000 0.759 204 G HN 0.436 nan 8.290 nan 0.000 0.475 205 F N 3.065 123.138 119.950 0.204 0.000 2.696 205 F HA 0.432 4.959 4.527 -0.001 0.000 0.296 205 F C 1.791 177.746 175.800 0.258 0.000 1.181 205 F CA 0.771 58.913 58.000 0.237 0.000 1.411 205 F CB 0.253 39.411 39.000 0.263 0.000 1.014 205 F HN 0.695 nan 8.300 nan 0.000 0.512 206 G N 0.999 109.985 108.800 0.309 0.000 2.750 206 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.228 206 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.228 206 G C -0.685 174.347 174.900 0.220 0.000 1.367 206 G CA -0.594 44.643 45.100 0.228 0.000 0.871 206 G HN 0.639 nan 8.290 nan 0.000 0.560 207 A N 0.041 122.988 122.820 0.213 0.000 2.273 207 A HA 0.945 5.264 4.320 -0.001 0.000 0.315 207 A C 0.296 177.998 177.584 0.196 0.000 1.256 207 A CA 0.785 52.924 52.037 0.170 0.000 0.851 207 A CB 0.346 19.454 19.000 0.180 0.000 1.172 207 A HN 2.236 nan 8.150 nan 0.000 0.508 208 M N 0.307 119.892 119.600 -0.025 0.000 3.643 208 M HA 0.488 4.968 4.480 -0.001 0.000 0.321 208 M C -2.176 174.017 176.300 -0.179 0.000 1.394 208 M CA -0.769 54.544 55.300 0.023 0.000 0.893 208 M CB 1.237 33.878 32.600 0.067 0.000 1.901 208 M HN 0.353 nan 8.290 nan 0.000 0.513 209 D N 0.722 121.120 120.400 -0.004 0.000 2.454 209 D HA 0.499 5.138 4.640 -0.001 0.000 0.225 209 D C -0.172 176.144 176.300 0.027 0.000 1.081 209 D CA -0.312 53.670 54.000 -0.031 0.000 0.864 209 D CB 0.307 41.185 40.800 0.131 0.000 1.040 209 D HN 0.557 nan 8.370 nan 0.000 0.517 210 F N 0.879 120.876 119.950 0.079 0.000 2.259 210 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 210 F C 2.336 178.153 175.800 0.028 0.000 1.088 210 F CA 0.492 58.516 58.000 0.039 0.000 1.358 210 F CB 0.256 39.275 39.000 0.032 0.000 1.040 210 F HN 0.286 nan 8.300 nan 0.000 0.505 211 T N -1.258 113.411 114.554 0.193 0.000 3.023 211 T HA -0.103 4.247 4.350 -0.001 0.000 0.266 211 T C 1.896 176.652 174.700 0.094 0.000 1.093 211 T CA 1.739 63.915 62.100 0.126 0.000 1.129 211 T CB -0.263 68.660 68.868 0.093 0.000 0.899 211 T HN 0.382 nan 8.240 nan 0.000 0.491 212 T N -1.630 112.983 114.554 0.099 0.000 3.010 212 T HA 0.316 4.665 4.350 -0.001 0.000 0.257 212 T C 1.397 176.141 174.700 0.074 0.000 1.020 212 T CA -0.259 61.886 62.100 0.075 0.000 0.938 212 T CB 0.101 69.011 68.868 0.070 0.000 1.049 212 T HN 0.135 nan 8.240 nan 0.000 0.522 213 L N 0.065 121.348 121.223 0.100 0.000 2.638 213 L HA 0.434 4.774 4.340 -0.001 0.000 0.232 213 L C 0.434 177.341 176.870 0.060 0.000 1.099 213 L CA 0.559 55.448 54.840 0.082 0.000 0.883 213 L CB -0.120 42.006 42.059 0.112 0.000 1.136 213 L HN 0.383 nan 8.230 nan 0.000 0.492 214 Q N -0.449 119.395 119.800 0.072 0.000 2.607 214 Q HA 0.395 4.735 4.340 -0.001 0.000 0.247 214 Q C 0.938 176.942 176.000 0.006 0.000 1.033 214 Q CA -0.168 55.644 55.803 0.016 0.000 0.769 214 Q CB 1.820 30.546 28.738 -0.021 0.000 1.169 214 Q HN 0.168 nan 8.270 nan 0.000 0.508 215 A N 2.341 125.158 122.820 -0.005 0.000 1.908 215 A HA -0.273 4.047 4.320 -0.001 0.000 0.218 215 A C 1.870 179.439 177.584 -0.026 0.000 1.181 215 A CA 1.866 53.898 52.037 -0.009 0.000 0.627 215 A CB -0.418 18.576 19.000 -0.011 0.000 0.818 215 A HN 0.785 nan 8.150 nan 0.000 0.445 216 N N 0.056 118.724 118.700 -0.053 0.000 2.171 216 N HA -0.307 4.433 4.740 -0.001 0.000 0.200 216 N C 0.867 176.335 175.510 -0.070 0.000 0.991 216 N CA 2.322 55.323 53.050 -0.081 0.000 0.906 216 N CB -0.391 38.019 38.487 -0.128 0.000 1.060 216 N HN 0.589 nan 8.380 nan 0.000 0.510 217 K N -1.426 118.942 120.400 -0.052 0.000 3.160 217 K HA -0.176 4.144 4.320 -0.001 0.000 0.280 217 K C -1.343 175.237 176.600 -0.033 0.000 1.154 217 K CA 0.939 57.217 56.287 -0.016 0.000 0.822 217 K CB -1.623 30.885 32.500 0.013 0.000 1.239 217 K HN 0.471 nan 8.250 nan 0.000 0.489 218 S N -0.631 114.957 115.700 -0.186 0.000 2.486 218 S HA 0.194 4.664 4.470 -0.001 0.000 0.184 218 S C -0.415 173.905 174.600 -0.466 0.000 0.774 218 S CA -0.975 56.952 58.200 -0.455 0.000 0.995 218 S CB 0.907 63.678 63.200 -0.714 0.000 1.427 218 S HN 0.296 nan 8.310 nan 0.000 0.398 219 E N 0.656 120.586 120.200 -0.450 0.000 2.713 219 E HA 0.233 4.582 4.350 -0.001 0.000 0.199 219 E C -0.568 175.585 176.600 -0.745 0.000 0.940 219 E CA 0.069 56.107 56.400 -0.603 0.000 1.310 219 E CB 1.667 31.031 29.700 -0.561 0.000 1.129 219 E HN 0.658 nan 8.360 nan 0.000 0.557 220 V N -1.573 118.047 119.914 -0.490 0.000 3.036 220 V HA 0.357 4.477 4.120 -0.001 0.000 0.288 220 V C -2.989 173.132 176.094 0.045 0.000 1.407 220 V CA -2.546 59.545 62.300 -0.348 0.000 0.983 220 V CB 1.409 32.806 31.823 -0.709 0.000 1.128 220 V HN -0.187 nan 8.190 nan 0.000 0.439 221 P HA -0.039 nan 4.420 nan 0.000 0.272 221 P C 0.874 178.364 177.300 0.317 0.000 1.194 221 P CA 0.183 63.473 63.100 0.317 0.000 0.777 221 P CB 0.437 32.376 31.700 0.398 0.000 0.814 222 L N 2.379 123.739 121.223 0.228 0.000 2.043 222 L HA -0.231 4.109 4.340 -0.001 0.000 0.212 222 L C 2.059 179.132 176.870 0.337 0.000 1.075 222 L CA 2.431 57.368 54.840 0.162 0.000 0.752 222 L CB -1.641 40.441 42.059 0.039 0.000 0.891 222 L HN 0.514 nan 8.230 nan 0.000 0.432 223 D N -0.543 120.154 120.400 0.495 0.000 2.182 223 D HA -0.228 4.412 4.640 -0.001 0.000 0.201 223 D C 1.886 178.382 176.300 0.326 0.000 0.986 223 D CA 2.040 56.292 54.000 0.420 0.000 0.847 223 D CB -0.558 40.493 40.800 0.419 0.000 0.942 223 D HN 0.563 nan 8.370 nan 0.000 0.467 224 I N -0.747 120.036 120.570 0.355 0.000 2.867 224 I HA 0.021 4.191 4.170 -0.001 0.000 0.265 224 I C 2.172 178.546 176.117 0.429 0.000 1.162 224 I CA 0.310 61.847 61.300 0.396 0.000 1.471 224 I CB -0.889 37.430 38.000 0.532 0.000 1.123 224 I HN 0.135 nan 8.210 nan 0.000 0.440 225 C N 1.617 121.055 119.300 0.229 0.000 2.396 225 C HA -0.163 4.297 4.460 -0.001 0.000 0.279 225 C C 2.521 177.638 174.990 0.211 0.000 1.229 225 C CA 1.469 60.575 59.018 0.147 0.000 1.801 225 C CB -2.544 25.269 27.740 0.121 0.000 2.050 225 C HN 0.738 nan 8.230 nan 0.000 0.491 226 T N -2.407 112.271 114.554 0.206 0.000 3.092 226 T HA 0.370 4.719 4.350 -0.001 0.000 0.258 226 T C 0.413 175.205 174.700 0.153 0.000 1.031 226 T CA 0.339 62.531 62.100 0.153 0.000 0.925 226 T CB -0.060 68.877 68.868 0.115 0.000 1.036 226 T HN 0.635 nan 8.240 nan 0.000 0.544 227 S N 0.990 116.819 115.700 0.215 0.000 2.837 227 S HA 0.824 5.293 4.470 -0.001 0.000 0.314 227 S C -0.953 173.674 174.600 0.046 0.000 1.098 227 S CA -0.956 57.325 58.200 0.135 0.000 0.903 227 S CB 0.744 64.013 63.200 0.115 0.000 1.310 227 S HN 0.199 nan 8.310 nan 0.000 0.581 228 I N 0.534 121.072 120.570 -0.054 0.000 2.436 228 I HA 0.382 4.552 4.170 -0.001 0.000 0.289 228 I C -0.948 175.077 176.117 -0.154 0.000 1.010 228 I CA -0.316 60.864 61.300 -0.200 0.000 1.098 228 I CB 1.176 39.010 38.000 -0.278 0.000 1.266 228 I HN 0.522 nan 8.210 nan 0.000 0.434 229 C N 5.517 124.686 119.300 -0.219 0.000 2.255 229 C HA 0.492 4.952 4.460 -0.001 0.000 0.326 229 C C 0.209 175.197 174.990 -0.004 0.000 1.258 229 C CA -0.762 58.215 59.018 -0.068 0.000 1.676 229 C CB -0.377 27.311 27.740 -0.086 0.000 2.314 229 C HN 0.629 nan 8.230 nan 0.000 0.509 230 K N 3.160 123.624 120.400 0.106 0.000 2.450 230 K HA 0.321 4.641 4.320 -0.001 0.000 0.257 230 K C -1.296 175.473 176.600 0.282 0.000 0.953 230 K CA -0.479 55.869 56.287 0.102 0.000 0.844 230 K CB 1.766 34.202 32.500 -0.107 0.000 1.103 230 K HN 0.625 nan 8.250 nan 0.000 0.429 231 Y N 3.911 124.250 120.300 0.065 0.000 2.320 231 Y HA 0.263 4.813 4.550 -0.000 0.000 0.334 231 Y C -2.385 173.446 175.900 -0.114 0.000 1.055 231 Y CA -2.345 55.778 58.100 0.038 0.000 1.143 231 Y CB 1.120 39.571 38.460 -0.016 0.000 1.193 231 Y HN 0.439 nan 8.280 nan 0.000 0.477 232 P HA -0.096 nan 4.420 nan 0.000 0.260 232 P C -0.791 175.911 177.300 -0.997 0.000 1.172 232 P CA 0.634 63.219 63.100 -0.858 0.000 0.760 232 P CB 0.370 31.379 31.700 -1.152 0.000 0.773 233 D N 3.274 123.343 120.400 -0.551 0.000 2.631 233 D HA 0.049 4.689 4.640 -0.001 0.000 0.227 233 D C 0.843 176.932 176.300 -0.351 0.000 1.146 233 D CA -0.186 53.581 54.000 -0.388 0.000 1.009 233 D CB -0.572 40.108 40.800 -0.200 0.000 1.057 233 D HN 0.338 nan 8.370 nan 0.000 0.509 234 Y N 1.424 121.580 120.300 -0.240 0.000 1.938 234 Y HA -0.380 4.170 4.550 -0.001 0.000 0.253 234 Y C 2.389 178.201 175.900 -0.146 0.000 1.163 234 Y CA 0.369 58.309 58.100 -0.267 0.000 1.086 234 Y CB -0.314 37.986 38.460 -0.267 0.000 0.928 234 Y HN 0.264 nan 8.280 nan 0.000 0.493 235 I N 0.391 121.014 120.570 0.088 0.000 2.231 235 I HA -0.417 3.753 4.170 -0.001 0.000 0.251 235 I C 2.233 178.361 176.117 0.017 0.000 1.076 235 I CA 1.955 63.287 61.300 0.053 0.000 1.347 235 I CB -1.152 36.873 38.000 0.042 0.000 1.038 235 I HN 0.403 nan 8.210 nan 0.000 0.429 236 K N 0.270 120.658 120.400 -0.021 0.000 2.099 236 K HA 0.023 4.343 4.320 -0.001 0.000 0.203 236 K C 2.185 178.774 176.600 -0.018 0.000 1.047 236 K CA 0.535 56.807 56.287 -0.025 0.000 0.963 236 K CB 0.069 32.538 32.500 -0.051 0.000 0.759 236 K HN 0.158 nan 8.250 nan 0.000 0.451 237 M N 0.752 120.329 119.600 -0.039 0.000 2.446 237 M HA -0.119 4.361 4.480 -0.001 0.000 0.263 237 M C 1.790 178.097 176.300 0.011 0.000 1.066 237 M CA 0.788 56.071 55.300 -0.028 0.000 1.087 237 M CB 0.214 32.776 32.600 -0.063 0.000 1.406 237 M HN -0.020 nan 8.290 nan 0.000 0.459 238 V N -1.311 118.615 119.914 0.021 0.000 2.500 238 V HA -0.108 4.012 4.120 -0.001 0.000 0.243 238 V C 2.113 178.251 176.094 0.074 0.000 1.039 238 V CA 1.462 63.797 62.300 0.058 0.000 1.053 238 V CB -0.237 31.625 31.823 0.064 0.000 0.695 238 V HN 0.353 nan 8.190 nan 0.000 0.463 239 S N -0.068 115.665 115.700 0.055 0.000 2.462 239 S HA -0.172 4.297 4.470 -0.001 0.000 0.243 239 S C 0.982 175.614 174.600 0.054 0.000 1.003 239 S CA 0.780 59.011 58.200 0.053 0.000 0.970 239 S CB -0.465 62.757 63.200 0.036 0.000 0.762 239 S HN 0.748 nan 8.310 nan 0.000 0.510 240 E N 3.012 123.246 120.200 0.057 0.000 2.652 240 E HA -0.050 4.300 4.350 -0.001 0.000 0.255 240 E C -1.021 175.632 176.600 0.089 0.000 0.952 240 E CA -0.991 55.451 56.400 0.070 0.000 0.947 240 E CB 0.419 30.164 29.700 0.076 0.000 0.912 240 E HN 0.090 nan 8.360 nan 0.000 0.489 241 P HA -0.216 nan 4.420 nan 0.000 0.210 241 P C 0.722 178.006 177.300 -0.027 0.000 1.189 241 P CA 1.573 64.646 63.100 -0.045 0.000 0.920 241 P CB -0.270 31.319 31.700 -0.185 0.000 0.782 242 Y N -0.198 120.136 120.300 0.057 0.000 2.574 242 Y HA 0.116 4.666 4.550 -0.001 0.000 0.294 242 Y C 1.915 177.964 175.900 0.247 0.000 1.142 242 Y CA 1.040 59.216 58.100 0.128 0.000 1.314 242 Y CB -1.125 37.388 38.460 0.088 0.000 0.991 242 Y HN 0.149 nan 8.280 nan 0.000 0.555 243 G N 0.458 109.451 108.800 0.320 0.000 2.283 243 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.280 243 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.280 243 G C 0.519 175.578 174.900 0.264 0.000 1.029 243 G CA 0.730 46.005 45.100 0.291 0.000 0.840 243 G HN 0.404 nan 8.290 nan 0.000 0.505 244 D N 0.127 120.664 120.400 0.229 0.000 2.162 244 D HA 0.048 4.688 4.640 -0.001 0.000 0.203 244 D C 2.593 178.894 176.300 0.002 0.000 0.967 244 D CA 1.305 55.402 54.000 0.162 0.000 0.840 244 D CB -0.081 40.823 40.800 0.174 0.000 0.972 244 D HN 0.423 nan 8.370 nan 0.000 0.482 245 S N 0.321 116.022 115.700 0.001 0.000 2.482 245 S HA -0.108 4.362 4.470 -0.001 0.000 0.226 245 S C 1.011 175.516 174.600 -0.159 0.000 1.048 245 S CA 0.987 59.154 58.200 -0.055 0.000 1.158 245 S CB -0.530 62.651 63.200 -0.032 0.000 1.130 245 S HN 0.383 nan 8.310 nan 0.000 0.413 246 L N -1.536 119.610 121.223 -0.127 0.000 2.388 246 L HA 0.695 5.035 4.340 -0.001 0.000 0.264 246 L C -0.320 176.565 176.870 0.025 0.000 0.998 246 L CA -0.948 53.790 54.840 -0.170 0.000 0.817 246 L CB 1.666 43.693 42.059 -0.054 0.000 1.338 246 L HN 0.358 nan 8.230 nan 0.000 0.414 247 F N 0.605 120.670 119.950 0.191 0.000 2.671 247 F HA 0.485 5.012 4.527 -0.000 0.000 0.303 247 F C -0.089 175.854 175.800 0.239 0.000 0.935 247 F CA -0.864 57.252 58.000 0.193 0.000 1.136 247 F CB -0.249 38.850 39.000 0.166 0.000 0.929 247 F HN 0.321 nan 8.300 nan 0.000 0.659 248 F N 3.095 123.491 119.950 0.744 0.000 2.444 248 F HA 0.642 5.169 4.527 -0.000 0.000 0.342 248 F C -1.070 174.860 175.800 0.218 0.000 1.121 248 F CA -1.997 56.185 58.000 0.304 0.000 0.997 248 F CB 1.315 40.450 39.000 0.225 0.000 1.130 248 F HN 0.115 nan 8.300 nan 0.000 0.454 249 Y N 4.989 124.738 120.300 -0.918 0.000 2.592 249 Y HA 0.717 5.267 4.550 -0.001 0.000 0.334 249 Y C -2.497 172.924 175.900 -0.799 0.000 1.136 249 Y CA -2.040 55.587 58.100 -0.788 0.000 1.042 249 Y CB 1.082 39.308 38.460 -0.390 0.000 1.325 249 Y HN 0.517 nan 8.280 nan 0.000 0.457 250 L N 1.470 122.334 121.223 -0.599 0.000 2.562 250 L HA 0.693 5.032 4.340 -0.001 0.000 0.266 250 L C -0.693 176.028 176.870 -0.248 0.000 0.949 250 L CA -1.770 52.755 54.840 -0.525 0.000 0.879 250 L CB 1.636 43.353 42.059 -0.570 0.000 1.278 250 L HN 0.917 nan 8.230 nan 0.000 0.404 251 R N 1.003 121.411 120.500 -0.154 0.000 2.643 251 R HA 0.953 5.293 4.340 -0.001 0.000 0.272 251 R C -0.509 175.769 176.300 -0.036 0.000 0.995 251 R CA -0.855 55.229 56.100 -0.026 0.000 1.032 251 R CB 1.852 32.173 30.300 0.035 0.000 1.126 251 R HN 0.659 nan 8.270 nan 0.000 0.505 252 R N 1.087 121.602 120.500 0.025 0.000 3.179 252 R HA 0.096 4.436 4.340 -0.001 0.000 0.231 252 R C -1.627 174.711 176.300 0.063 0.000 1.796 252 R CA -0.206 55.906 56.100 0.019 0.000 1.233 252 R CB 0.740 31.026 30.300 -0.023 0.000 1.545 252 R HN 0.933 nan 8.270 nan 0.000 0.552 253 E N 2.617 122.870 120.200 0.088 0.000 2.191 253 E HA 0.463 4.812 4.350 -0.001 0.000 0.274 253 E C -1.068 175.576 176.600 0.075 0.000 0.948 253 E CA -1.004 55.455 56.400 0.098 0.000 0.802 253 E CB 2.119 31.903 29.700 0.140 0.000 1.137 253 E HN 0.487 nan 8.360 nan 0.000 0.397 254 Q N 2.543 122.387 119.800 0.074 0.000 2.391 254 Q HA 0.604 4.944 4.340 -0.001 0.000 0.279 254 Q C -1.086 174.966 176.000 0.087 0.000 1.028 254 Q CA -1.046 54.800 55.803 0.072 0.000 0.836 254 Q CB 2.355 31.131 28.738 0.063 0.000 1.414 254 Q HN 0.610 nan 8.270 nan 0.000 0.397 255 M N 2.417 122.079 119.600 0.104 0.000 2.732 255 M HA 0.719 5.199 4.480 -0.001 0.000 0.272 255 M C -2.228 174.191 176.300 0.200 0.000 1.203 255 M CA -0.596 54.771 55.300 0.111 0.000 0.841 255 M CB 2.511 35.130 32.600 0.031 0.000 1.685 255 M HN 0.989 nan 8.290 nan 0.000 0.492 256 F N 1.086 121.011 119.950 -0.041 0.000 2.719 256 F HA 0.672 5.199 4.527 -0.001 0.000 0.309 256 F C -1.431 174.323 175.800 -0.076 0.000 1.138 256 F CA -1.047 56.921 58.000 -0.054 0.000 0.943 256 F CB 0.502 39.471 39.000 -0.052 0.000 1.304 256 F HN 0.431 nan 8.300 nan 0.000 0.445 257 V N 2.026 121.951 119.914 0.017 0.000 2.540 257 V HA 0.332 4.452 4.120 -0.001 0.000 0.297 257 V C 0.730 176.627 176.094 -0.328 0.000 1.024 257 V CA 0.354 62.567 62.300 -0.144 0.000 1.105 257 V CB 0.665 32.482 31.823 -0.010 0.000 0.938 257 V HN 1.133 nan 8.190 nan 0.000 0.482 258 R N 2.760 122.984 120.500 -0.460 0.000 2.194 258 R HA 0.327 4.667 4.340 -0.001 0.000 0.194 258 R C 0.582 176.558 176.300 -0.540 0.000 0.985 258 R CA 0.590 56.397 56.100 -0.488 0.000 1.104 258 R CB 0.172 30.205 30.300 -0.445 0.000 1.092 258 R HN 0.893 nan 8.270 nan 0.000 0.555 259 H N -1.800 117.055 119.070 -0.359 0.000 2.906 259 H HA 0.608 5.164 4.556 -0.001 0.000 0.337 259 H C -1.568 173.438 175.328 -0.536 0.000 1.257 259 H CA -0.743 55.025 56.048 -0.466 0.000 1.192 259 H CB 1.600 30.897 29.762 -0.775 0.000 1.912 259 H HN -0.088 nan 8.280 nan 0.000 0.573 260 L N 0.994 121.993 121.223 -0.373 0.000 2.401 260 L HA 0.512 4.851 4.340 -0.001 0.000 0.266 260 L C -1.177 175.570 176.870 -0.204 0.000 0.991 260 L CA -0.172 54.477 54.840 -0.317 0.000 0.818 260 L CB 1.326 43.303 42.059 -0.137 0.000 1.321 260 L HN 0.517 nan 8.230 nan 0.000 0.413 261 F N -0.010 119.719 119.950 -0.368 0.000 2.745 261 F HA 0.412 4.938 4.527 -0.000 0.000 0.316 261 F C -0.434 175.170 175.800 -0.327 0.000 1.155 261 F CA -1.110 56.602 58.000 -0.480 0.000 0.937 261 F CB 2.418 40.782 39.000 -1.059 0.000 1.361 261 F HN 0.449 nan 8.300 nan 0.000 0.472 262 N N 0.677 119.386 118.700 0.015 0.000 2.346 262 N HA 0.290 5.029 4.740 -0.001 0.000 0.289 262 N C -1.274 174.340 175.510 0.173 0.000 1.027 262 N CA -0.801 52.288 53.050 0.066 0.000 0.864 262 N CB 1.105 39.582 38.487 -0.017 0.000 1.370 262 N HN 0.355 nan 8.380 nan 0.000 0.481 263 R N 2.146 122.780 120.500 0.224 0.000 2.343 263 R HA 0.196 4.535 4.340 -0.001 0.000 0.326 263 R C 0.077 176.397 176.300 0.034 0.000 1.055 263 R CA -0.163 56.039 56.100 0.170 0.000 0.961 263 R CB -0.009 30.337 30.300 0.076 0.000 0.978 263 R HN 0.603 nan 8.270 nan 0.000 0.443 264 A N 1.955 124.783 122.820 0.013 0.000 2.475 264 A HA 0.475 4.795 4.320 -0.001 0.000 0.239 264 A C 0.808 178.369 177.584 -0.039 0.000 1.087 264 A CA 0.749 52.770 52.037 -0.026 0.000 0.779 264 A CB -0.095 18.880 19.000 -0.041 0.000 1.036 264 A HN 0.903 nan 8.150 nan 0.000 0.506 265 G N -1.019 107.757 108.800 -0.040 0.000 2.661 265 G HA2 0.314 4.274 3.960 -0.001 0.000 0.685 265 G HA3 0.314 4.274 3.960 -0.001 0.000 0.685 265 G C 0.020 174.899 174.900 -0.036 0.000 1.298 265 G CA 0.203 45.279 45.100 -0.041 0.000 0.855 265 G HN 2.407 nan 8.290 nan 0.000 0.560 266 T N -1.653 112.881 114.554 -0.033 0.000 2.928 266 T HA 0.428 4.777 4.350 -0.001 0.000 0.305 266 T C 0.931 175.614 174.700 -0.027 0.000 1.035 266 T CA 0.056 62.139 62.100 -0.027 0.000 1.145 266 T CB 1.149 70.003 68.868 -0.023 0.000 0.963 266 T HN 1.721 nan 8.240 nan 0.000 0.545 267 V N 4.740 124.639 119.914 -0.024 0.000 2.555 267 V HA 0.128 4.248 4.120 -0.001 0.000 0.299 267 V C 1.770 177.854 176.094 -0.017 0.000 1.012 267 V CA 1.026 63.313 62.300 -0.022 0.000 1.180 267 V CB -0.426 31.388 31.823 -0.015 0.000 0.887 267 V HN 1.212 nan 8.190 nan 0.000 0.476 268 G N 4.594 113.384 108.800 -0.018 0.000 2.411 268 G HA2 0.051 4.011 3.960 -0.001 0.000 0.213 268 G HA3 0.051 4.011 3.960 -0.001 0.000 0.213 268 G C 0.414 175.309 174.900 -0.007 0.000 1.166 268 G CA 0.117 45.209 45.100 -0.014 0.000 0.802 268 G HN 0.664 nan 8.290 nan 0.000 0.533 269 E N -0.479 119.718 120.200 -0.004 0.000 2.331 269 E HA 0.317 4.667 4.350 -0.001 0.000 0.275 269 E C -1.601 175.004 176.600 0.009 0.000 0.895 269 E CA -0.735 55.668 56.400 0.004 0.000 0.753 269 E CB 1.736 31.439 29.700 0.005 0.000 1.216 269 E HN 0.066 nan 8.360 nan 0.000 0.434 270 N N 0.453 119.165 118.700 0.021 0.000 2.479 270 N HA 0.210 4.949 4.740 -0.001 0.000 0.285 270 N C -0.904 174.640 175.510 0.057 0.000 1.075 270 N CA -0.390 52.681 53.050 0.035 0.000 0.967 270 N CB 1.184 39.699 38.487 0.046 0.000 1.137 270 N HN 0.096 nan 8.380 nan 0.000 0.472 271 V N 3.696 123.646 119.914 0.060 0.000 2.557 271 V HA 0.084 4.203 4.120 -0.001 0.000 0.301 271 V C -1.847 174.381 176.094 0.225 0.000 1.026 271 V CA -0.870 61.492 62.300 0.103 0.000 1.137 271 V CB -0.034 31.804 31.823 0.025 0.000 0.917 271 V HN 0.652 nan 8.190 nan 0.000 0.484 272 P HA 0.173 nan 4.420 nan 0.000 0.275 272 P C 0.089 177.516 177.300 0.211 0.000 1.227 272 P CA -0.399 62.797 63.100 0.160 0.000 0.781 272 P CB 0.455 32.210 31.700 0.092 0.000 0.906 273 D N 0.514 120.928 120.400 0.023 0.000 2.390 273 D HA -0.140 4.499 4.640 -0.001 0.000 0.235 273 D C 0.318 176.386 176.300 -0.387 0.000 1.040 273 D CA 0.713 54.506 54.000 -0.346 0.000 0.923 273 D CB -0.610 40.054 40.800 -0.227 0.000 0.886 273 D HN 0.362 nan 8.370 nan 0.000 0.532 274 D N 0.102 120.409 120.400 -0.155 0.000 2.407 274 D HA -0.011 4.629 4.640 -0.001 0.000 0.208 274 D C 1.410 177.696 176.300 -0.023 0.000 1.083 274 D CA -0.131 53.810 54.000 -0.099 0.000 0.844 274 D CB -0.129 40.651 40.800 -0.034 0.000 0.967 274 D HN 0.303 nan 8.370 nan 0.000 0.506 275 L N 0.145 121.423 121.223 0.091 0.000 2.653 275 L HA 0.262 4.602 4.340 -0.001 0.000 0.232 275 L C -0.114 177.001 176.870 0.407 0.000 1.169 275 L CA -0.308 54.670 54.840 0.230 0.000 0.951 275 L CB -0.885 41.326 42.059 0.254 0.000 1.181 275 L HN 0.088 nan 8.230 nan 0.000 0.460 276 Y N -2.916 117.401 120.300 0.029 0.000 3.024 276 Y HA 0.548 5.098 4.550 -0.001 0.000 0.383 276 Y C -1.533 174.383 175.900 0.026 0.000 1.352 276 Y CA -1.920 56.199 58.100 0.032 0.000 1.115 276 Y CB 0.525 39.010 38.460 0.042 0.000 2.400 276 Y HN -0.237 nan 8.280 nan 0.000 0.394 277 I N 2.056 122.752 120.570 0.209 0.000 2.545 277 I HA 0.360 4.530 4.170 -0.001 0.000 0.292 277 I C -0.638 175.609 176.117 0.217 0.000 1.040 277 I CA -1.248 60.082 61.300 0.050 0.000 1.068 277 I CB 1.839 39.870 38.000 0.050 0.000 1.251 277 I HN 0.390 nan 8.210 nan 0.000 0.424 278 K N 2.758 123.212 120.400 0.089 0.000 2.552 278 K HA 0.066 4.386 4.320 -0.001 0.000 0.276 278 K C 0.471 177.137 176.600 0.110 0.000 0.960 278 K CA 0.276 56.647 56.287 0.139 0.000 0.961 278 K CB 0.328 32.860 32.500 0.053 0.000 0.902 278 K HN 0.920 nan 8.250 nan 0.000 0.515 279 G N -0.260 108.585 108.800 0.074 0.000 3.039 279 G HA2 0.422 4.381 3.960 -0.001 0.000 0.159 279 G HA3 0.422 4.381 3.960 -0.001 0.000 0.159 279 G C -0.894 174.006 174.900 -0.001 0.000 1.284 279 G CA -0.273 44.845 45.100 0.031 0.000 0.996 279 G HN 0.578 nan 8.290 nan 0.000 0.592 280 S N -1.585 114.096 115.700 -0.030 0.000 2.614 280 S HA 0.576 5.046 4.470 -0.001 0.000 0.275 280 S C 0.728 175.294 174.600 -0.058 0.000 1.161 280 S CA 0.680 58.861 58.200 -0.030 0.000 0.969 280 S CB 1.167 64.358 63.200 -0.015 0.000 1.059 280 S HN 2.450 nan 8.310 nan 0.000 0.482 281 G N 4.444 113.211 108.800 -0.056 0.000 2.702 281 G HA2 -0.453 3.507 3.960 -0.001 0.000 0.342 281 G HA3 -0.453 3.507 3.960 -0.001 0.000 0.342 281 G C 1.382 176.204 174.900 -0.129 0.000 1.258 281 G CA 2.391 47.449 45.100 -0.070 0.000 0.990 281 G HN 2.160 nan 8.290 nan 0.000 0.548 282 S N -0.433 115.185 115.700 -0.136 0.000 2.422 282 S HA -0.328 4.142 4.470 -0.001 0.000 0.248 282 S C 2.408 176.687 174.600 -0.536 0.000 1.069 282 S CA 4.228 62.285 58.200 -0.239 0.000 1.214 282 S CB -1.751 61.376 63.200 -0.123 0.000 1.122 282 S HN 2.283 nan 8.310 nan 0.000 0.432 283 T N -0.654 113.646 114.554 -0.425 0.000 3.163 283 T HA 0.456 4.805 4.350 -0.001 0.000 0.260 283 T C 1.264 175.819 174.700 -0.242 0.000 1.156 283 T CA 0.605 62.444 62.100 -0.436 0.000 1.072 283 T CB -0.360 68.463 68.868 -0.075 0.000 0.937 283 T HN 0.632 nan 8.240 nan 0.000 0.528 284 A N 0.811 123.512 122.820 -0.198 0.000 2.308 284 A HA 0.400 4.720 4.320 -0.001 0.000 0.217 284 A C 0.879 178.404 177.584 -0.099 0.000 1.216 284 A CA -0.422 51.559 52.037 -0.093 0.000 0.864 284 A CB -0.141 18.826 19.000 -0.055 0.000 0.902 284 A HN 0.423 nan 8.150 nan 0.000 0.499 285 N N 0.548 119.134 118.700 -0.190 0.000 2.804 285 N HA 0.385 5.125 4.740 -0.001 0.000 0.251 285 N C -1.171 174.269 175.510 -0.116 0.000 1.250 285 N CA -0.495 52.476 53.050 -0.131 0.000 0.820 285 N CB 0.231 38.648 38.487 -0.117 0.000 1.156 285 N HN 0.061 nan 8.380 nan 0.000 0.512 286 L N 1.463 122.661 121.223 -0.043 0.000 2.747 286 L HA -0.041 4.299 4.340 -0.001 0.000 0.286 286 L C 0.914 177.826 176.870 0.069 0.000 1.216 286 L CA 0.445 55.304 54.840 0.033 0.000 0.930 286 L CB -0.515 41.511 42.059 -0.056 0.000 1.216 286 L HN 0.467 nan 8.230 nan 0.000 0.486 287 A N 3.535 126.478 122.820 0.205 0.000 2.440 287 A HA 0.300 4.620 4.320 -0.001 0.000 0.251 287 A C 0.771 178.329 177.584 -0.043 0.000 1.089 287 A CA -0.074 52.035 52.037 0.121 0.000 0.779 287 A CB 0.134 19.209 19.000 0.125 0.000 1.022 287 A HN 0.788 nan 8.150 nan 0.000 0.492 288 S N 2.013 117.667 115.700 -0.076 0.000 3.746 288 S HA -0.091 4.379 4.470 -0.001 0.000 0.446 288 S C 1.238 175.654 174.600 -0.307 0.000 1.133 288 S CA 0.709 58.823 58.200 -0.144 0.000 1.060 288 S CB -0.212 62.920 63.200 -0.113 0.000 0.729 288 S HN 1.038 nan 8.310 nan 0.000 0.510 289 S N 3.980 119.497 115.700 -0.305 0.000 2.650 289 S HA 0.137 4.607 4.470 -0.001 0.000 0.219 289 S C 0.481 174.717 174.600 -0.606 0.000 0.960 289 S CA -0.300 57.601 58.200 -0.499 0.000 0.925 289 S CB -0.536 62.533 63.200 -0.218 0.000 0.775 289 S HN 0.844 nan 8.310 nan 0.000 0.525 290 N N 2.135 120.611 118.700 -0.375 0.000 2.663 290 N HA 0.152 4.892 4.740 -0.001 0.000 0.250 290 N C -1.371 174.099 175.510 -0.067 0.000 1.129 290 N CA -0.136 52.831 53.050 -0.138 0.000 0.995 290 N CB 0.313 38.776 38.487 -0.039 0.000 1.324 290 N HN 0.344 nan 8.380 nan 0.000 0.512 291 Y N 1.570 121.929 120.300 0.097 0.000 2.335 291 Y HA 0.468 5.017 4.550 -0.000 0.000 0.323 291 Y C 0.170 176.195 175.900 0.207 0.000 1.224 291 Y CA -1.130 57.034 58.100 0.107 0.000 1.241 291 Y CB 0.554 39.037 38.460 0.038 0.000 1.235 291 Y HN 0.271 nan 8.280 nan 0.000 0.492 292 F N 1.269 121.390 119.950 0.285 0.000 2.613 292 F HA 0.911 5.437 4.527 -0.001 0.000 0.310 292 F C -3.593 172.346 175.800 0.232 0.000 1.085 292 F CA -2.929 55.216 58.000 0.242 0.000 0.945 292 F CB 2.292 41.407 39.000 0.191 0.000 1.298 292 F HN 0.206 nan 8.300 nan 0.000 0.455 293 P HA 0.345 nan 4.420 nan 0.000 0.305 293 P C -1.451 175.979 177.300 0.215 0.000 1.390 293 P CA -0.502 62.642 63.100 0.075 0.000 1.054 293 P CB 2.476 34.177 31.700 0.002 0.000 1.335 294 T N 1.006 115.526 114.554 -0.056 0.000 2.794 294 T HA 0.424 4.774 4.350 -0.001 0.000 0.296 294 T C -2.118 172.416 174.700 -0.276 0.000 0.949 294 T CA -1.675 60.374 62.100 -0.085 0.000 1.101 294 T CB 0.239 69.038 68.868 -0.115 0.000 0.905 294 T HN 0.307 nan 8.240 nan 0.000 0.516 295 P HA 0.488 nan 4.420 nan 0.000 0.280 295 P C -0.794 176.274 177.300 -0.388 0.000 1.272 295 P CA -0.782 62.096 63.100 -0.371 0.000 0.819 295 P CB 1.303 32.810 31.700 -0.321 0.000 1.122 296 S N -0.634 114.773 115.700 -0.488 0.000 2.614 296 S HA 0.593 5.062 4.470 -0.001 0.000 0.275 296 S C -0.531 173.998 174.600 -0.119 0.000 1.161 296 S CA -0.667 57.278 58.200 -0.425 0.000 0.969 296 S CB 0.294 62.993 63.200 -0.835 0.000 1.059 296 S HN 0.573 nan 8.310 nan 0.000 0.482 297 G N 2.761 111.557 108.800 -0.006 0.000 2.350 297 G HA2 0.460 4.420 3.960 -0.001 0.000 0.306 297 G HA3 0.460 4.420 3.960 -0.001 0.000 0.306 297 G C 0.265 175.233 174.900 0.113 0.000 1.094 297 G CA -0.245 44.900 45.100 0.075 0.000 0.953 297 G HN 0.814 nan 8.290 nan 0.000 0.420 298 S N 3.170 118.979 115.700 0.181 0.000 2.633 298 S HA 0.313 4.783 4.470 -0.001 0.000 0.257 298 S C 1.106 175.762 174.600 0.094 0.000 1.265 298 S CA -0.679 57.630 58.200 0.182 0.000 0.980 298 S CB 0.328 63.641 63.200 0.187 0.000 1.017 298 S HN 0.664 nan 8.310 nan 0.000 0.577 299 M N 2.473 122.114 119.600 0.068 0.000 2.207 299 M HA 0.002 4.482 4.480 -0.001 0.000 0.392 299 M C -0.629 175.693 176.300 0.037 0.000 1.286 299 M CA 0.084 55.410 55.300 0.042 0.000 0.828 299 M CB -0.134 32.481 32.600 0.025 0.000 1.903 299 M HN 0.517 nan 8.290 nan 0.000 0.499 300 V N 2.685 122.619 119.914 0.034 0.000 2.612 300 V HA 0.811 4.931 4.120 -0.001 0.000 0.301 300 V C -0.115 175.995 176.094 0.027 0.000 1.046 300 V CA -0.676 61.645 62.300 0.036 0.000 0.946 300 V CB 1.526 33.373 31.823 0.039 0.000 1.003 300 V HN 0.882 nan 8.190 nan 0.000 0.459 301 T N 1.300 115.870 114.554 0.027 0.000 2.912 301 T HA 0.374 4.723 4.350 -0.001 0.000 0.299 301 T C 0.974 175.686 174.700 0.019 0.000 1.052 301 T CA 0.361 62.472 62.100 0.018 0.000 0.996 301 T CB 2.025 70.900 68.868 0.011 0.000 1.070 301 T HN 1.075 nan 8.240 nan 0.000 0.465 302 S N 2.571 118.279 115.700 0.014 0.000 2.359 302 S HA -0.121 4.349 4.470 -0.001 0.000 0.224 302 S C 0.977 175.582 174.600 0.007 0.000 1.035 302 S CA 2.066 60.273 58.200 0.012 0.000 1.018 302 S CB -0.664 62.540 63.200 0.007 0.000 0.876 302 S HN 0.825 nan 8.310 nan 0.000 0.448 303 D N 1.098 121.499 120.400 0.002 0.000 2.490 303 D HA 0.346 4.985 4.640 -0.001 0.000 0.255 303 D C 0.395 176.691 176.300 -0.006 0.000 1.248 303 D CA 0.700 54.698 54.000 -0.004 0.000 0.887 303 D CB -0.025 40.772 40.800 -0.006 0.000 0.978 303 D HN 0.395 nan 8.370 nan 0.000 0.491 304 A N 0.001 122.820 122.820 -0.001 0.000 2.538 304 A HA 0.078 4.397 4.320 -0.001 0.000 0.276 304 A C 0.287 177.864 177.584 -0.013 0.000 0.908 304 A CA -0.453 51.578 52.037 -0.009 0.000 1.042 304 A CB 0.387 19.385 19.000 -0.004 0.000 1.218 304 A HN -0.082 nan 8.150 nan 0.000 0.517 305 Q N 0.648 120.446 119.800 -0.003 0.000 2.313 305 Q HA 0.225 4.565 4.340 -0.001 0.000 0.266 305 Q C 0.933 176.885 176.000 -0.080 0.000 0.989 305 Q CA -0.223 55.584 55.803 0.007 0.000 0.890 305 Q CB 0.837 29.603 28.738 0.048 0.000 1.200 305 Q HN 0.452 nan 8.270 nan 0.000 0.396 306 I N 1.766 122.190 120.570 -0.244 0.000 3.228 306 I HA 0.041 4.211 4.170 -0.001 0.000 0.279 306 I C 0.598 176.445 176.117 -0.450 0.000 1.221 306 I CA 0.553 61.574 61.300 -0.466 0.000 1.458 306 I CB -0.510 36.977 38.000 -0.856 0.000 1.105 306 I HN 0.308 nan 8.210 nan 0.000 0.445 307 F N 0.417 120.420 119.950 0.089 0.000 2.509 307 F HA 0.424 4.951 4.527 -0.001 0.000 0.334 307 F C 1.405 177.176 175.800 -0.048 0.000 1.060 307 F CA -0.855 57.173 58.000 0.045 0.000 0.997 307 F CB 0.160 39.174 39.000 0.023 0.000 1.271 307 F HN -0.170 nan 8.300 nan 0.000 0.488 308 N N -0.646 118.088 118.700 0.056 0.000 2.936 308 N HA -0.245 4.494 4.740 -0.001 0.000 0.236 308 N C -0.527 174.909 175.510 -0.123 0.000 0.930 308 N CA 0.978 53.993 53.050 -0.057 0.000 0.966 308 N CB -0.692 37.786 38.487 -0.015 0.000 1.090 308 N HN 0.571 nan 8.380 nan 0.000 0.592 309 K N 0.843 121.162 120.400 -0.135 0.000 2.159 309 K HA 0.354 4.674 4.320 -0.001 0.000 0.266 309 K C -2.595 173.702 176.600 -0.504 0.000 0.975 309 K CA -2.015 54.153 56.287 -0.198 0.000 0.865 309 K CB 1.465 33.942 32.500 -0.037 0.000 1.087 309 K HN -0.052 nan 8.250 nan 0.000 0.446 310 P HA 0.046 nan 4.420 nan 0.000 0.281 310 P C -1.365 175.393 177.300 -0.904 0.000 1.252 310 P CA -0.108 62.432 63.100 -0.934 0.000 0.778 310 P CB 0.313 31.478 31.700 -0.893 0.000 0.895 311 Y N 1.793 121.606 120.300 -0.812 0.000 2.404 311 Y HA 0.256 4.806 4.550 -0.001 0.000 0.344 311 Y C 0.432 175.834 175.900 -0.829 0.000 0.970 311 Y CA -1.147 56.472 58.100 -0.802 0.000 1.180 311 Y CB 0.653 38.560 38.460 -0.922 0.000 1.138 311 Y HN 0.334 nan 8.280 nan 0.000 0.510 312 W N 5.547 126.705 121.300 -0.238 0.000 2.546 312 W HA 0.295 4.954 4.660 -0.000 0.000 0.323 312 W C -0.061 176.287 176.519 -0.285 0.000 1.272 312 W CA -0.759 56.445 57.345 -0.235 0.000 1.404 312 W CB 0.597 29.989 29.460 -0.114 0.000 1.411 312 W HN 0.541 nan 8.180 nan 0.000 0.480 313 L N 4.542 125.730 121.223 -0.058 0.000 2.779 313 L HA -0.015 4.325 4.340 -0.001 0.000 0.239 313 L C 2.122 178.919 176.870 -0.121 0.000 1.245 313 L CA 0.034 54.763 54.840 -0.186 0.000 1.064 313 L CB -0.744 41.103 42.059 -0.353 0.000 1.350 313 L HN 0.592 nan 8.230 nan 0.000 0.455 314 Q N 0.056 119.835 119.800 -0.035 0.000 2.291 314 Q HA -0.070 4.270 4.340 -0.001 0.000 0.206 314 Q C 0.904 176.875 176.000 -0.049 0.000 0.976 314 Q CA 0.940 56.718 55.803 -0.041 0.000 0.875 314 Q CB 0.157 28.872 28.738 -0.038 0.000 0.927 314 Q HN 0.493 nan 8.270 nan 0.000 0.450 315 R N -0.958 119.516 120.500 -0.042 0.000 2.795 315 R HA 0.775 5.115 4.340 -0.001 0.000 0.268 315 R C -1.976 174.311 176.300 -0.023 0.000 1.041 315 R CA -0.066 56.015 56.100 -0.033 0.000 0.927 315 R CB 2.460 32.754 30.300 -0.011 0.000 1.235 315 R HN 0.172 nan 8.270 nan 0.000 0.463 316 A N 0.936 123.755 122.820 -0.002 0.000 2.547 316 A HA 0.183 4.502 4.320 -0.001 0.000 0.300 316 A C -0.433 177.186 177.584 0.058 0.000 1.061 316 A CA -0.724 51.344 52.037 0.051 0.000 0.808 316 A CB 1.470 20.506 19.000 0.060 0.000 1.304 316 A HN 0.750 nan 8.150 nan 0.000 0.393 317 Q N 1.412 121.252 119.800 0.068 0.000 2.297 317 Q HA 0.084 4.423 4.340 -0.001 0.000 0.208 317 Q C 0.923 176.950 176.000 0.046 0.000 0.981 317 Q CA 1.711 57.540 55.803 0.044 0.000 0.876 317 Q CB -0.589 28.181 28.738 0.053 0.000 0.921 317 Q HN 1.223 nan 8.270 nan 0.000 0.446 318 G N -0.907 107.969 108.800 0.127 0.000 2.503 318 G HA2 0.220 4.179 3.960 -0.001 0.000 0.257 318 G HA3 0.220 4.179 3.960 -0.001 0.000 0.257 318 G C -0.576 174.417 174.900 0.154 0.000 1.214 318 G CA -0.335 44.877 45.100 0.186 0.000 0.839 318 G HN 0.304 nan 8.290 nan 0.000 0.559 319 H N 0.196 119.391 119.070 0.208 0.000 2.319 319 H HA -0.089 4.467 4.556 -0.001 0.000 0.299 319 H C 1.751 177.239 175.328 0.266 0.000 1.092 319 H CA 1.676 57.861 56.048 0.229 0.000 1.302 319 H CB 0.174 30.095 29.762 0.266 0.000 1.373 319 H HN 0.513 nan 8.280 nan 0.000 0.497 320 N N 0.575 119.547 118.700 0.453 0.000 2.424 320 N HA -0.068 4.672 4.740 -0.001 0.000 0.257 320 N C -0.084 175.588 175.510 0.271 0.000 1.250 320 N CA 0.209 53.492 53.050 0.389 0.000 0.946 320 N CB 0.793 39.558 38.487 0.464 0.000 1.175 320 N HN 0.233 nan 8.380 nan 0.000 0.477 321 N N -0.579 118.181 118.700 0.100 0.000 2.301 321 N HA 0.264 5.004 4.740 -0.001 0.000 0.247 321 N C -0.315 175.014 175.510 -0.301 0.000 1.347 321 N CA 0.400 53.405 53.050 -0.075 0.000 0.844 321 N CB 0.112 38.561 38.487 -0.064 0.000 1.332 321 N HN 0.750 nan 8.380 nan 0.000 0.494 322 G N 0.529 109.196 108.800 -0.222 0.000 2.147 322 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.128 322 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.128 322 G C -0.477 174.380 174.900 -0.071 0.000 1.026 322 G CA -0.313 44.623 45.100 -0.272 0.000 0.693 322 G HN 0.156 nan 8.290 nan 0.000 0.499 323 I N 1.450 121.910 120.570 -0.184 0.000 2.494 323 I HA 0.190 4.360 4.170 -0.001 0.000 0.289 323 I C 1.133 176.991 176.117 -0.432 0.000 1.106 323 I CA -1.065 59.925 61.300 -0.517 0.000 1.369 323 I CB -0.153 37.114 38.000 -1.222 0.000 1.410 323 I HN 0.158 nan 8.210 nan 0.000 0.523 324 C N 6.441 125.660 119.300 -0.134 0.000 3.247 324 C HA 0.108 4.568 4.460 -0.001 0.000 0.573 324 C C 0.712 175.700 174.990 -0.003 0.000 1.106 324 C CA -1.081 57.942 59.018 0.009 0.000 1.209 324 C CB -2.384 25.459 27.740 0.172 0.000 1.460 324 C HN 0.655 nan 8.230 nan 0.000 0.634 325 W N 0.888 122.222 121.300 0.058 0.000 2.549 325 W HA 0.272 4.931 4.660 -0.001 0.000 0.343 325 W C 1.365 177.815 176.519 -0.115 0.000 1.278 325 W CA 1.176 58.490 57.345 -0.051 0.000 1.277 325 W CB 0.005 29.420 29.460 -0.075 0.000 1.249 325 W HN 0.899 nan 8.180 nan 0.000 0.572 326 G N 2.324 111.184 108.800 0.101 0.000 2.194 326 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.236 326 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.236 326 G C 0.378 175.282 174.900 0.006 0.000 0.987 326 G CA -0.089 45.011 45.100 -0.002 0.000 0.635 326 G HN 0.750 nan 8.290 nan 0.000 0.520 327 N N -0.499 118.228 118.700 0.045 0.000 2.747 327 N HA -0.166 4.574 4.740 -0.001 0.000 0.249 327 N C 0.065 175.518 175.510 -0.096 0.000 1.107 327 N CA 1.935 54.989 53.050 0.007 0.000 0.707 327 N CB -1.213 37.282 38.487 0.014 0.000 1.054 327 N HN 0.885 nan 8.380 nan 0.000 0.555 328 Q N -0.116 119.603 119.800 -0.134 0.000 2.365 328 Q HA 0.731 5.070 4.340 -0.001 0.000 0.269 328 Q C -0.683 175.127 176.000 -0.317 0.000 1.061 328 Q CA -0.546 55.065 55.803 -0.319 0.000 0.816 328 Q CB 2.441 30.922 28.738 -0.429 0.000 1.325 328 Q HN 0.231 nan 8.270 nan 0.000 0.446 329 L N 3.500 124.473 121.223 -0.417 0.000 2.528 329 L HA 0.483 4.823 4.340 -0.001 0.000 0.267 329 L C -1.710 175.045 176.870 -0.192 0.000 0.961 329 L CA -0.343 54.367 54.840 -0.216 0.000 0.866 329 L CB 1.250 43.251 42.059 -0.097 0.000 1.248 329 L HN 0.727 nan 8.230 nan 0.000 0.404 330 F N 4.504 124.394 119.950 -0.100 0.000 2.361 330 F HA 0.387 4.913 4.527 -0.000 0.000 0.364 330 F C 0.144 175.947 175.800 0.005 0.000 1.117 330 F CA -1.029 56.904 58.000 -0.112 0.000 1.071 330 F CB 1.924 40.785 39.000 -0.232 0.000 1.188 330 F HN 0.078 nan 8.300 nan 0.000 0.464 331 V N 3.266 123.349 119.914 0.282 0.000 2.347 331 V HA 0.288 4.407 4.120 -0.001 0.000 0.280 331 V C -0.207 176.054 176.094 0.277 0.000 1.021 331 V CA -0.467 61.980 62.300 0.245 0.000 0.847 331 V CB 1.495 33.419 31.823 0.168 0.000 0.990 331 V HN 0.701 nan 8.190 nan 0.000 0.444 332 T N 4.144 118.837 114.554 0.232 0.000 2.791 332 T HA 0.643 4.993 4.350 -0.001 0.000 0.288 332 T C -0.424 174.455 174.700 0.300 0.000 0.999 332 T CA -0.545 61.700 62.100 0.241 0.000 0.952 332 T CB 1.523 70.491 68.868 0.168 0.000 0.938 332 T HN 0.268 nan 8.240 nan 0.000 0.444 333 V N 3.705 123.822 119.914 0.337 0.000 2.487 333 V HA 0.520 4.639 4.120 -0.001 0.000 0.298 333 V C -0.295 175.958 176.094 0.264 0.000 1.028 333 V CA -0.833 61.672 62.300 0.340 0.000 0.860 333 V CB 1.967 33.996 31.823 0.343 0.000 0.991 333 V HN 0.764 nan 8.190 nan 0.000 0.427 334 V N 3.409 123.451 119.914 0.212 0.000 2.417 334 V HA 0.521 4.641 4.120 -0.001 0.000 0.291 334 V C -0.777 175.387 176.094 0.116 0.000 1.024 334 V CA -0.387 61.949 62.300 0.059 0.000 0.861 334 V CB 1.827 33.564 31.823 -0.143 0.000 0.985 334 V HN 0.976 nan 8.190 nan 0.000 0.436 335 D N 2.399 122.828 120.400 0.048 0.000 2.421 335 D HA 0.316 4.955 4.640 -0.001 0.000 0.254 335 D C 0.970 177.304 176.300 0.057 0.000 1.238 335 D CA 0.102 54.126 54.000 0.039 0.000 0.919 335 D CB 1.992 42.669 40.800 -0.205 0.000 1.152 335 D HN 0.623 nan 8.370 nan 0.000 0.552 336 T N -0.376 114.229 114.554 0.085 0.000 3.014 336 T HA -0.121 4.229 4.350 -0.001 0.000 0.263 336 T C 1.747 176.492 174.700 0.074 0.000 1.078 336 T CA 1.317 63.465 62.100 0.080 0.000 1.135 336 T CB -0.444 68.474 68.868 0.083 0.000 0.895 336 T HN 0.350 nan 8.240 nan 0.000 0.480 337 T N 0.664 115.265 114.554 0.078 0.000 3.026 337 T HA -0.058 4.292 4.350 -0.001 0.000 0.271 337 T C 0.893 175.620 174.700 0.045 0.000 1.149 337 T CA 0.625 62.763 62.100 0.063 0.000 1.088 337 T CB -0.555 68.360 68.868 0.079 0.000 0.857 337 T HN 0.559 nan 8.240 nan 0.000 0.551 338 R N 0.719 121.247 120.500 0.045 0.000 2.687 338 R HA 0.364 4.704 4.340 -0.001 0.000 0.264 338 R C 0.448 176.815 176.300 0.112 0.000 1.715 338 R CA 0.057 56.185 56.100 0.047 0.000 1.633 338 R CB 1.043 31.347 30.300 0.006 0.000 1.353 338 R HN 0.364 nan 8.270 nan 0.000 0.653 339 S N -1.708 114.037 115.700 0.074 0.000 2.578 339 S HA 0.026 4.495 4.470 -0.001 0.000 0.228 339 S C 0.769 175.217 174.600 -0.253 0.000 1.022 339 S CA -0.331 57.874 58.200 0.009 0.000 0.967 339 S CB 0.488 63.685 63.200 -0.005 0.000 0.914 339 S HN 0.224 nan 8.310 nan 0.000 0.515 340 T N 5.043 119.532 114.554 -0.108 0.000 2.765 340 T HA 0.047 4.397 4.350 -0.001 0.000 0.275 340 T C -0.334 174.221 174.700 -0.241 0.000 1.007 340 T CA 0.580 62.603 62.100 -0.128 0.000 1.175 340 T CB -0.551 68.297 68.868 -0.034 0.000 0.993 340 T HN 0.688 nan 8.240 nan 0.000 0.510 341 N N 3.606 122.136 118.700 -0.282 0.000 2.392 341 N HA 0.524 5.263 4.740 -0.001 0.000 0.283 341 N C 0.020 175.464 175.510 -0.110 0.000 1.003 341 N CA -0.990 51.895 53.050 -0.276 0.000 0.892 341 N CB 1.024 39.272 38.487 -0.398 0.000 1.193 341 N HN 0.573 nan 8.380 nan 0.000 0.487 342 M N -0.450 119.127 119.600 -0.037 0.000 2.371 342 M HA 0.672 5.152 4.480 -0.001 0.000 0.301 342 M C -0.700 175.605 176.300 0.008 0.000 1.173 342 M CA -0.607 54.690 55.300 -0.005 0.000 1.020 342 M CB 1.313 33.923 32.600 0.018 0.000 1.490 342 M HN 0.505 nan 8.290 nan 0.000 0.485 343 S N 1.704 117.423 115.700 0.032 0.000 2.548 343 S HA 0.847 5.316 4.470 -0.001 0.000 0.286 343 S C -0.726 173.923 174.600 0.082 0.000 1.098 343 S CA -1.056 57.182 58.200 0.063 0.000 0.930 343 S CB 1.811 65.049 63.200 0.062 0.000 1.070 343 S HN 0.844 nan 8.310 nan 0.000 0.480 344 L N -0.364 120.939 121.223 0.133 0.000 2.401 344 L HA 0.982 5.322 4.340 -0.001 0.000 0.266 344 L C -0.687 176.332 176.870 0.249 0.000 0.991 344 L CA -0.976 53.953 54.840 0.148 0.000 0.818 344 L CB 1.497 43.613 42.059 0.095 0.000 1.321 344 L HN 1.022 nan 8.230 nan 0.000 0.413 345 C N 1.110 120.541 119.300 0.218 0.000 2.535 345 C HA 0.977 5.436 4.460 -0.001 0.000 0.319 345 C C 0.100 175.258 174.990 0.280 0.000 1.171 345 C CA -0.191 59.000 59.018 0.289 0.000 1.394 345 C CB 0.765 28.646 27.740 0.235 0.000 1.990 345 C HN 1.231 nan 8.230 nan 0.000 0.466 346 A N 3.216 126.214 122.820 0.297 0.000 2.330 346 A HA 0.901 5.221 4.320 -0.001 0.000 0.327 346 A C 0.438 178.122 177.584 0.166 0.000 1.155 346 A CA 0.202 52.357 52.037 0.196 0.000 0.803 346 A CB 0.874 19.955 19.000 0.134 0.000 1.208 346 A HN 2.374 nan 8.150 nan 0.000 0.477 347 A N 1.066 123.910 122.820 0.041 0.000 2.429 347 A HA 0.403 4.722 4.320 -0.001 0.000 0.242 347 A C 0.875 178.357 177.584 -0.169 0.000 1.088 347 A CA 0.253 52.129 52.037 -0.269 0.000 0.784 347 A CB -0.040 18.703 19.000 -0.429 0.000 1.038 347 A HN 1.346 nan 8.150 nan 0.000 0.501 348 I N -0.494 119.918 120.570 -0.263 0.000 3.462 348 I HA 0.121 4.291 4.170 -0.001 0.000 0.290 348 I C 0.282 176.314 176.117 -0.143 0.000 1.236 348 I CA 1.333 62.542 61.300 -0.152 0.000 1.418 348 I CB 0.103 38.022 38.000 -0.134 0.000 1.102 348 I HN 0.663 nan 8.210 nan 0.000 0.441 349 S N -1.988 113.592 115.700 -0.199 0.000 2.583 349 S HA 0.128 4.598 4.470 -0.001 0.000 0.294 349 S C 0.507 175.014 174.600 -0.155 0.000 1.121 349 S CA -0.180 57.935 58.200 -0.140 0.000 0.910 349 S CB 0.127 63.262 63.200 -0.108 0.000 1.102 349 S HN 0.198 nan 8.310 nan 0.000 0.451 350 T N 0.079 114.573 114.554 -0.100 0.000 3.077 350 T HA -0.047 4.303 4.350 -0.001 0.000 0.269 350 T C 1.569 176.235 174.700 -0.056 0.000 1.146 350 T CA 1.363 63.420 62.100 -0.071 0.000 1.091 350 T CB -0.650 68.199 68.868 -0.033 0.000 0.892 350 T HN 0.543 nan 8.240 nan 0.000 0.533 351 S N 1.661 117.323 115.700 -0.064 0.000 2.462 351 S HA -0.075 4.394 4.470 -0.001 0.000 0.219 351 S C 0.675 175.254 174.600 -0.035 0.000 1.048 351 S CA 0.711 58.885 58.200 -0.043 0.000 1.119 351 S CB -0.719 62.454 63.200 -0.046 0.000 1.100 351 S HN 0.635 nan 8.310 nan 0.000 0.411 352 E N 1.494 121.665 120.200 -0.048 0.000 3.655 352 E HA -0.115 4.235 4.350 -0.001 0.000 0.282 352 E C 0.751 177.358 176.600 0.011 0.000 0.811 352 E CA 0.900 57.285 56.400 -0.025 0.000 0.985 352 E CB -0.029 29.637 29.700 -0.056 0.000 0.926 352 E HN 0.572 nan 8.360 nan 0.000 0.560 353 T N -0.802 113.768 114.554 0.027 0.000 3.069 353 T HA 0.118 4.468 4.350 -0.001 0.000 0.252 353 T C 0.357 175.098 174.700 0.068 0.000 1.053 353 T CA 0.088 62.214 62.100 0.043 0.000 0.964 353 T CB -0.060 68.828 68.868 0.034 0.000 1.005 353 T HN 0.454 nan 8.240 nan 0.000 0.532 354 T N -0.785 113.815 114.554 0.076 0.000 2.909 354 T HA 0.526 4.875 4.350 -0.001 0.000 0.299 354 T C -0.929 173.865 174.700 0.157 0.000 1.073 354 T CA -1.011 61.160 62.100 0.118 0.000 0.999 354 T CB 1.473 70.398 68.868 0.096 0.000 1.098 354 T HN 0.172 nan 8.240 nan 0.000 0.477 355 Y N 2.302 122.667 120.300 0.108 0.000 2.717 355 Y HA 0.326 4.876 4.550 -0.001 0.000 0.330 355 Y C 0.164 176.154 175.900 0.149 0.000 1.217 355 Y CA 0.495 58.688 58.100 0.156 0.000 1.506 355 Y CB 0.398 38.895 38.460 0.062 0.000 1.268 355 Y HN 0.551 nan 8.280 nan 0.000 0.561 356 K N 5.271 125.531 120.400 -0.234 0.000 2.507 356 K HA 0.128 4.448 4.320 -0.001 0.000 0.251 356 K C -0.014 176.519 176.600 -0.112 0.000 0.943 356 K CA -0.900 55.371 56.287 -0.026 0.000 0.794 356 K CB 1.764 34.258 32.500 -0.011 0.000 1.188 356 K HN 0.626 nan 8.250 nan 0.000 0.428 357 N N 0.614 119.427 118.700 0.188 0.000 2.334 357 N HA -0.118 4.622 4.740 -0.001 0.000 0.187 357 N C 0.601 176.178 175.510 0.111 0.000 1.016 357 N CA 1.431 54.615 53.050 0.224 0.000 0.879 357 N CB 0.166 38.792 38.487 0.232 0.000 0.965 357 N HN 0.570 nan 8.380 nan 0.000 0.438 358 T N -2.916 111.670 114.554 0.053 0.000 3.251 358 T HA 0.197 4.547 4.350 -0.001 0.000 0.259 358 T C 0.698 175.378 174.700 -0.032 0.000 0.998 358 T CA -0.392 61.721 62.100 0.021 0.000 0.905 358 T CB -0.127 68.747 68.868 0.011 0.000 1.067 358 T HN 0.081 nan 8.240 nan 0.000 0.569 359 N N 0.427 119.086 118.700 -0.068 0.000 2.171 359 N HA 0.251 4.991 4.740 -0.001 0.000 0.212 359 N C -0.984 174.234 175.510 -0.487 0.000 1.184 359 N CA -0.532 52.359 53.050 -0.266 0.000 0.888 359 N CB 0.421 38.709 38.487 -0.332 0.000 1.038 359 N HN 0.315 nan 8.380 nan 0.000 0.517 360 F N 0.631 120.514 119.950 -0.111 0.000 2.556 360 F HA 0.486 5.012 4.527 -0.001 0.000 0.314 360 F C -0.040 175.752 175.800 -0.014 0.000 1.106 360 F CA -0.947 57.023 58.000 -0.052 0.000 0.911 360 F CB 1.795 40.756 39.000 -0.066 0.000 1.190 360 F HN -0.373 nan 8.300 nan 0.000 0.448 361 K N 2.766 123.280 120.400 0.191 0.000 2.240 361 K HA 0.323 4.643 4.320 -0.001 0.000 0.271 361 K C -0.686 175.943 176.600 0.047 0.000 1.018 361 K CA -0.717 55.610 56.287 0.067 0.000 0.874 361 K CB 1.608 34.169 32.500 0.102 0.000 1.098 361 K HN 0.504 nan 8.250 nan 0.000 0.458 362 E N 2.707 122.842 120.200 -0.108 0.000 2.156 362 E HA 0.293 4.643 4.350 -0.001 0.000 0.279 362 E C -0.972 175.527 176.600 -0.169 0.000 0.965 362 E CA -0.427 55.957 56.400 -0.027 0.000 0.789 362 E CB 1.090 30.796 29.700 0.011 0.000 1.098 362 E HN 0.364 nan 8.360 nan 0.000 0.397 363 Y N 0.901 121.260 120.300 0.098 0.000 2.524 363 Y HA 0.422 4.972 4.550 -0.000 0.000 0.347 363 Y C -0.131 175.807 175.900 0.064 0.000 1.005 363 Y CA -0.759 57.406 58.100 0.109 0.000 1.025 363 Y CB 1.691 40.212 38.460 0.101 0.000 1.275 363 Y HN 0.259 nan 8.280 nan 0.000 0.460 364 L N 4.124 125.456 121.223 0.182 0.000 2.313 364 L HA 0.673 5.012 4.340 -0.001 0.000 0.283 364 L C -0.627 176.149 176.870 -0.156 0.000 1.013 364 L CA -0.849 53.978 54.840 -0.023 0.000 0.816 364 L CB 1.303 43.296 42.059 -0.110 0.000 1.236 364 L HN 0.571 nan 8.230 nan 0.000 0.419 365 R N 1.714 122.165 120.500 -0.081 0.000 2.771 365 R HA 0.484 4.824 4.340 -0.001 0.000 0.274 365 R C -1.359 174.956 176.300 0.025 0.000 0.987 365 R CA -0.800 55.276 56.100 -0.041 0.000 0.908 365 R CB 2.351 32.663 30.300 0.020 0.000 1.213 365 R HN 0.662 nan 8.270 nan 0.000 0.468 366 H N -0.245 118.771 119.070 -0.090 0.000 2.759 366 H HA 0.505 5.061 4.556 -0.000 0.000 0.354 366 H C -0.487 174.827 175.328 -0.022 0.000 1.074 366 H CA -0.659 55.351 56.048 -0.064 0.000 1.226 366 H CB 1.982 31.687 29.762 -0.095 0.000 1.648 366 H HN 0.773 nan 8.280 nan 0.000 0.529 367 G N 2.144 110.955 108.800 0.019 0.000 2.535 367 G HA2 0.397 4.357 3.960 -0.001 0.000 0.303 367 G HA3 0.397 4.357 3.960 -0.001 0.000 0.303 367 G C -0.868 173.878 174.900 -0.257 0.000 1.237 367 G CA -0.410 44.631 45.100 -0.099 0.000 0.986 367 G HN 0.647 nan 8.290 nan 0.000 0.494 368 E N -0.229 119.907 120.200 -0.107 0.000 2.531 368 E HA 0.080 4.429 4.350 -0.001 0.000 0.323 368 E C -1.476 175.120 176.600 -0.006 0.000 0.908 368 E CA -0.344 55.994 56.400 -0.104 0.000 0.792 368 E CB 1.957 31.629 29.700 -0.047 0.000 1.360 368 E HN 0.667 nan 8.360 nan 0.000 0.394 369 E N 3.389 123.533 120.200 -0.093 0.000 2.156 369 E HA 0.392 4.742 4.350 -0.001 0.000 0.279 369 E C -1.195 175.320 176.600 -0.141 0.000 0.965 369 E CA -0.334 56.047 56.400 -0.032 0.000 0.789 369 E CB 0.927 30.606 29.700 -0.035 0.000 1.098 369 E HN 0.338 nan 8.360 nan 0.000 0.397 370 Y N 2.202 122.502 120.300 -0.001 0.000 2.602 370 Y HA 0.399 4.948 4.550 -0.001 0.000 0.330 370 Y C -0.519 175.325 175.900 -0.093 0.000 1.114 370 Y CA -0.553 57.508 58.100 -0.065 0.000 1.182 370 Y CB 2.092 40.525 38.460 -0.044 0.000 1.305 370 Y HN 0.572 nan 8.280 nan 0.000 0.502 371 D N 1.052 121.484 120.400 0.053 0.000 2.266 371 D HA 0.240 4.880 4.640 -0.001 0.000 0.218 371 D C -1.860 174.357 176.300 -0.137 0.000 1.311 371 D CA -0.153 53.823 54.000 -0.040 0.000 0.918 371 D CB 0.388 41.164 40.800 -0.040 0.000 1.530 371 D HN 0.365 nan 8.370 nan 0.000 0.514 372 L N 2.330 123.445 121.223 -0.180 0.000 2.375 372 L HA 0.552 4.891 4.340 -0.001 0.000 0.271 372 L C 0.152 176.870 176.870 -0.253 0.000 1.107 372 L CA -0.623 54.062 54.840 -0.258 0.000 0.806 372 L CB 1.209 43.242 42.059 -0.043 0.000 1.146 372 L HN 0.361 nan 8.230 nan 0.000 0.447 373 Q N 2.773 122.193 119.800 -0.633 0.000 2.323 373 Q HA 0.581 4.920 4.340 -0.001 0.000 0.271 373 Q C -1.362 173.976 176.000 -1.104 0.000 1.048 373 Q CA -0.370 55.045 55.803 -0.646 0.000 0.792 373 Q CB 2.784 31.186 28.738 -0.560 0.000 1.280 373 Q HN 0.321 nan 8.270 nan 0.000 0.441 374 F N 1.449 120.967 119.950 -0.721 0.000 2.603 374 F HA 0.612 5.139 4.527 -0.001 0.000 0.317 374 F C -0.212 175.112 175.800 -0.794 0.000 1.066 374 F CA -0.999 56.537 58.000 -0.773 0.000 0.941 374 F CB 1.640 40.216 39.000 -0.706 0.000 1.291 374 F HN 0.250 nan 8.300 nan 0.000 0.472 375 I N 2.957 123.120 120.570 -0.678 0.000 2.560 375 I HA 0.295 4.464 4.170 -0.001 0.000 0.283 375 I C -1.366 174.500 176.117 -0.419 0.000 1.115 375 I CA -0.827 60.196 61.300 -0.463 0.000 1.066 375 I CB 1.050 38.689 38.000 -0.602 0.000 1.221 375 I HN 0.359 nan 8.210 nan 0.000 0.450 376 F N 3.789 123.706 119.950 -0.055 0.000 2.538 376 F HA 0.597 5.123 4.527 -0.001 0.000 0.325 376 F C 0.479 176.587 175.800 0.514 0.000 1.066 376 F CA -0.709 57.400 58.000 0.181 0.000 0.946 376 F CB 1.576 40.654 39.000 0.129 0.000 1.199 376 F HN 0.326 nan 8.300 nan 0.000 0.473 377 Q N 2.279 122.495 119.800 0.693 0.000 2.340 377 Q HA 0.538 4.878 4.340 -0.001 0.000 0.268 377 Q C -1.639 174.473 176.000 0.186 0.000 1.031 377 Q CA -1.172 54.871 55.803 0.399 0.000 0.804 377 Q CB 2.297 31.237 28.738 0.337 0.000 1.286 377 Q HN 0.742 nan 8.270 nan 0.000 0.448 378 L N 3.519 124.685 121.223 -0.094 0.000 2.349 378 L HA 0.420 4.759 4.340 -0.001 0.000 0.275 378 L C -1.288 175.379 176.870 -0.337 0.000 1.115 378 L CA 0.252 54.858 54.840 -0.391 0.000 0.820 378 L CB 0.889 42.609 42.059 -0.565 0.000 1.135 378 L HN 0.813 nan 8.230 nan 0.000 0.445 379 C N 3.558 122.670 119.300 -0.314 0.000 2.668 379 C HA 0.784 5.244 4.460 -0.001 0.000 0.355 379 C C -0.494 174.401 174.990 -0.159 0.000 1.277 379 C CA -0.935 57.972 59.018 -0.186 0.000 1.787 379 C CB 2.090 29.777 27.740 -0.087 0.000 2.233 379 C HN 0.901 nan 8.230 nan 0.000 0.495 380 K N 0.625 120.991 120.400 -0.056 0.000 2.469 380 K HA 0.825 5.145 4.320 -0.001 0.000 0.254 380 K C -1.808 174.838 176.600 0.077 0.000 0.939 380 K CA -0.417 55.874 56.287 0.007 0.000 0.812 380 K CB 1.622 34.160 32.500 0.064 0.000 1.301 380 K HN 0.539 nan 8.250 nan 0.000 0.433 381 I N 2.255 122.881 120.570 0.093 0.000 2.439 381 I HA 0.104 4.273 4.170 -0.001 0.000 0.283 381 I C -0.129 176.024 176.117 0.059 0.000 1.023 381 I CA -0.686 60.697 61.300 0.138 0.000 1.100 381 I CB 2.190 40.362 38.000 0.287 0.000 1.238 381 I HN 0.770 nan 8.210 nan 0.000 0.445 382 T N 4.432 119.026 114.554 0.068 0.000 2.888 382 T HA 0.366 4.716 4.350 -0.001 0.000 0.301 382 T C -0.235 174.483 174.700 0.030 0.000 1.001 382 T CA -0.472 61.646 62.100 0.030 0.000 1.147 382 T CB 0.587 69.476 68.868 0.035 0.000 0.931 382 T HN 0.237 nan 8.240 nan 0.000 0.541 383 L N 4.920 126.136 121.223 -0.011 0.000 2.312 383 L HA 0.328 4.668 4.340 -0.001 0.000 0.287 383 L C 1.403 178.283 176.870 0.017 0.000 1.091 383 L CA -0.057 54.783 54.840 0.000 0.000 0.846 383 L CB 0.372 42.405 42.059 -0.044 0.000 1.219 383 L HN 1.098 nan 8.230 nan 0.000 0.439 384 T N 0.097 114.673 114.554 0.037 0.000 3.057 384 T HA 0.627 4.976 4.350 -0.001 0.000 0.312 384 T C 1.187 175.904 174.700 0.028 0.000 1.227 384 T CA 0.205 62.322 62.100 0.029 0.000 0.929 384 T CB 0.708 69.597 68.868 0.035 0.000 1.986 384 T HN 0.364 nan 8.240 nan 0.000 0.579 385 A N 0.713 123.547 122.820 0.024 0.000 1.878 385 A HA 0.178 4.498 4.320 -0.001 0.000 0.215 385 A C 1.933 179.533 177.584 0.027 0.000 1.310 385 A CA 1.075 53.123 52.037 0.019 0.000 0.612 385 A CB -1.150 17.858 19.000 0.014 0.000 0.989 385 A HN 0.789 nan 8.150 nan 0.000 0.472 386 D N -0.274 120.142 120.400 0.026 0.000 2.378 386 D HA 0.001 4.641 4.640 -0.001 0.000 0.222 386 D C 1.653 177.968 176.300 0.025 0.000 0.980 386 D CA 0.631 54.647 54.000 0.028 0.000 0.907 386 D CB 0.054 40.863 40.800 0.015 0.000 0.899 386 D HN 0.180 nan 8.370 nan 0.000 0.527 387 V N 0.056 119.991 119.914 0.036 0.000 2.426 387 V HA -0.021 4.098 4.120 -0.001 0.000 0.242 387 V C 2.172 178.312 176.094 0.077 0.000 1.036 387 V CA 0.816 63.143 62.300 0.045 0.000 1.044 387 V CB -0.152 31.726 31.823 0.091 0.000 0.688 387 V HN 0.168 nan 8.190 nan 0.000 0.462 388 M N 0.355 120.001 119.600 0.078 0.000 2.349 388 M HA -0.115 4.365 4.480 -0.001 0.000 0.266 388 M C 2.237 178.600 176.300 0.105 0.000 1.076 388 M CA 1.802 57.162 55.300 0.100 0.000 1.126 388 M CB -0.164 32.476 32.600 0.068 0.000 1.392 388 M HN 0.675 nan 8.290 nan 0.000 0.440 389 T N -1.487 113.113 114.554 0.076 0.000 2.590 389 T HA -0.222 4.127 4.350 -0.001 0.000 0.257 389 T C 1.557 176.326 174.700 0.116 0.000 1.080 389 T CA 1.405 63.548 62.100 0.073 0.000 1.180 389 T CB -1.240 67.661 68.868 0.056 0.000 0.865 389 T HN 0.395 nan 8.240 nan 0.000 0.403 390 Y N 2.522 122.797 120.300 -0.043 0.000 1.931 390 Y HA -0.292 4.258 4.550 -0.001 0.000 0.240 390 Y C 2.341 178.147 175.900 -0.156 0.000 1.189 390 Y CA 1.833 59.867 58.100 -0.110 0.000 1.059 390 Y CB -0.847 37.443 38.460 -0.284 0.000 0.880 390 Y HN 0.250 nan 8.280 nan 0.000 0.507 391 I N -0.508 120.054 120.570 -0.014 0.000 2.707 391 I HA -0.382 3.788 4.170 -0.001 0.000 0.266 391 I C 2.238 178.249 176.117 -0.177 0.000 1.215 391 I CA 1.804 63.020 61.300 -0.140 0.000 1.442 391 I CB -0.649 37.374 38.000 0.039 0.000 1.108 391 I HN 0.513 nan 8.210 nan 0.000 0.464 392 H N 0.174 119.148 119.070 -0.160 0.000 2.481 392 H HA 0.121 4.677 4.556 -0.001 0.000 0.291 392 H C 2.151 177.371 175.328 -0.179 0.000 1.009 392 H CA 0.774 56.737 56.048 -0.142 0.000 1.282 392 H CB 0.493 30.219 29.762 -0.061 0.000 1.457 392 H HN 0.092 nan 8.280 nan 0.000 0.525 393 S N 0.686 116.388 115.700 0.003 0.000 2.555 393 S HA -0.030 4.440 4.470 -0.001 0.000 0.230 393 S C 1.935 176.386 174.600 -0.248 0.000 0.978 393 S CA 0.705 58.878 58.200 -0.045 0.000 0.934 393 S CB 0.100 63.307 63.200 0.012 0.000 0.766 393 S HN 0.431 nan 8.310 nan 0.000 0.533 394 M N 1.006 120.301 119.600 -0.507 0.000 2.299 394 M HA 0.170 4.650 4.480 -0.001 0.000 0.238 394 M C 0.181 176.051 176.300 -0.716 0.000 1.174 394 M CA 1.030 55.755 55.300 -0.959 0.000 1.191 394 M CB 0.310 32.189 32.600 -1.202 0.000 1.207 394 M HN 0.088 nan 8.290 nan 0.000 0.462 395 N N 0.029 118.333 118.700 -0.660 0.000 2.519 395 N HA 0.182 4.921 4.740 -0.001 0.000 0.286 395 N C 0.240 175.452 175.510 -0.497 0.000 1.079 395 N CA -0.157 52.569 53.050 -0.539 0.000 0.878 395 N CB 1.353 39.504 38.487 -0.560 0.000 1.375 395 N HN 0.344 nan 8.380 nan 0.000 0.514 396 S N 1.565 116.990 115.700 -0.459 0.000 2.354 396 S HA -0.258 4.212 4.470 -0.001 0.000 0.219 396 S C 2.233 176.654 174.600 -0.298 0.000 1.035 396 S CA 2.113 60.021 58.200 -0.487 0.000 1.037 396 S CB -1.159 61.773 63.200 -0.446 0.000 0.956 396 S HN 0.820 nan 8.310 nan 0.000 0.428 397 T N 2.511 116.921 114.554 -0.241 0.000 2.668 397 T HA -0.275 4.075 4.350 -0.001 0.000 0.265 397 T C 1.731 176.284 174.700 -0.244 0.000 1.041 397 T CA 1.825 63.812 62.100 -0.190 0.000 1.160 397 T CB -1.196 67.572 68.868 -0.167 0.000 0.857 397 T HN 0.259 nan 8.240 nan 0.000 0.455 398 I N 2.472 122.813 120.570 -0.382 0.000 2.091 398 I HA -0.211 3.959 4.170 -0.001 0.000 0.240 398 I C 2.677 178.449 176.117 -0.575 0.000 1.046 398 I CA 1.667 62.582 61.300 -0.642 0.000 1.306 398 I CB -1.720 35.746 38.000 -0.891 0.000 1.018 398 I HN 0.382 nan 8.210 nan 0.000 0.404 399 L N 0.130 121.298 121.223 -0.092 0.000 2.027 399 L HA -0.144 4.196 4.340 -0.001 0.000 0.206 399 L C 2.428 179.442 176.870 0.239 0.000 1.074 399 L CA 1.331 56.410 54.840 0.398 0.000 0.745 399 L CB -1.052 41.200 42.059 0.323 0.000 0.898 399 L HN 0.267 nan 8.230 nan 0.000 0.433 400 E N 0.675 120.924 120.200 0.081 0.000 2.002 400 E HA -0.265 4.084 4.350 -0.001 0.000 0.205 400 E C 1.808 178.455 176.600 0.078 0.000 1.020 400 E CA 1.586 58.026 56.400 0.066 0.000 0.856 400 E CB -0.636 29.070 29.700 0.010 0.000 0.788 400 E HN 0.433 nan 8.360 nan 0.000 0.477 401 D N 0.147 120.553 120.400 0.010 0.000 2.218 401 D HA -0.193 4.447 4.640 -0.001 0.000 0.194 401 D C 0.340 176.715 176.300 0.124 0.000 1.007 401 D CA 0.815 54.826 54.000 0.018 0.000 0.879 401 D CB -0.294 40.462 40.800 -0.073 0.000 0.918 401 D HN 0.190 nan 8.370 nan 0.000 0.449 402 W N 2.030 123.359 121.300 0.048 0.000 2.322 402 W HA 0.124 4.784 4.660 -0.000 0.000 0.328 402 W C 1.048 177.603 176.519 0.061 0.000 1.395 402 W CA -0.015 57.370 57.345 0.067 0.000 1.267 402 W CB -0.453 29.054 29.460 0.079 0.000 1.259 402 W HN -0.052 nan 8.180 nan 0.000 0.560 439 D N 3.362 123.789 120.400 0.045 0.000 2.338 439 D HA 0.154 4.794 4.640 -0.001 0.000 0.255 439 D C -1.398 174.963 176.300 0.102 0.000 1.237 439 D CA -1.879 52.166 54.000 0.075 0.000 0.883 439 D CB 1.245 42.103 40.800 0.095 0.000 1.087 439 D HN 0.112 nan 8.370 nan 0.000 0.485 440 P HA -0.079 nan 4.420 nan 0.000 0.230 440 P C 0.701 178.173 177.300 0.286 0.000 1.158 440 P CA 0.659 63.847 63.100 0.147 0.000 0.769 440 P CB 0.351 32.110 31.700 0.098 0.000 0.807 441 L N -1.150 120.255 121.223 0.304 0.000 3.062 441 L HA 0.302 4.642 4.340 -0.001 0.000 0.255 441 L C 2.019 179.131 176.870 0.404 0.000 1.274 441 L CA -0.204 54.940 54.840 0.506 0.000 1.047 441 L CB 0.068 42.420 42.059 0.489 0.000 1.402 441 L HN -0.143 nan 8.230 nan 0.000 0.550 442 K N 1.543 122.081 120.400 0.231 0.000 2.067 442 K HA -0.040 4.279 4.320 -0.001 0.000 0.203 442 K C 1.928 178.524 176.600 -0.007 0.000 1.048 442 K CA 0.947 57.294 56.287 0.100 0.000 0.954 442 K CB 0.281 32.810 32.500 0.050 0.000 0.737 442 K HN 0.073 nan 8.250 nan 0.000 0.444 443 K N 0.239 120.561 120.400 -0.130 0.000 2.616 443 K HA -0.077 4.242 4.320 -0.001 0.000 0.192 443 K C -0.399 175.753 176.600 -0.747 0.000 1.031 443 K CA 0.598 56.626 56.287 -0.433 0.000 1.004 443 K CB -0.340 31.841 32.500 -0.533 0.000 0.810 443 K HN 0.176 nan 8.250 nan 0.000 0.497 444 Y N 0.088 120.305 120.300 -0.139 0.000 2.602 444 Y HA 0.346 4.896 4.550 -0.001 0.000 0.342 444 Y C 0.117 175.647 175.900 -0.615 0.000 1.029 444 Y CA -1.129 56.721 58.100 -0.418 0.000 1.080 444 Y CB 1.966 40.136 38.460 -0.483 0.000 1.284 444 Y HN -0.251 nan 8.280 nan 0.000 0.485 445 T N 2.627 116.724 114.554 -0.761 0.000 2.847 445 T HA 0.638 4.988 4.350 -0.001 0.000 0.291 445 T C -1.260 172.979 174.700 -0.768 0.000 0.998 445 T CA -0.644 61.110 62.100 -0.577 0.000 0.967 445 T CB -0.061 68.634 68.868 -0.288 0.000 0.954 445 T HN 0.321 nan 8.240 nan 0.000 0.441 446 F N 0.226 120.201 119.950 0.042 0.000 2.603 446 F HA 0.482 5.009 4.527 -0.000 0.000 0.317 446 F C -0.170 175.687 175.800 0.095 0.000 1.066 446 F CA -1.590 56.427 58.000 0.028 0.000 0.941 446 F CB 1.085 40.098 39.000 0.022 0.000 1.291 446 F HN 0.495 nan 8.300 nan 0.000 0.472 447 W N 4.603 125.922 121.300 0.033 0.000 2.838 447 W HA 0.046 4.706 4.660 -0.001 0.000 0.412 447 W C -0.132 176.437 176.519 0.083 0.000 1.236 447 W CA -0.299 57.000 57.345 -0.076 0.000 1.501 447 W CB -0.492 28.708 29.460 -0.434 0.000 1.617 447 W HN 0.476 nan 8.180 nan 0.000 0.496 448 E N 3.677 124.134 120.200 0.429 0.000 2.480 448 E HA 0.044 4.394 4.350 -0.001 0.000 0.258 448 E C -0.302 176.587 176.600 0.482 0.000 0.984 448 E CA 0.250 56.916 56.400 0.443 0.000 0.930 448 E CB 1.130 31.046 29.700 0.359 0.000 0.936 448 E HN 0.137 nan 8.360 nan 0.000 0.466 449 V N 3.782 123.917 119.914 0.368 0.000 2.487 449 V HA 0.217 4.337 4.120 -0.001 0.000 0.298 449 V C 0.283 176.521 176.094 0.241 0.000 1.028 449 V CA -1.037 61.424 62.300 0.268 0.000 0.860 449 V CB 1.758 33.663 31.823 0.137 0.000 0.991 449 V HN 0.523 nan 8.190 nan 0.000 0.427 450 N N 4.732 123.544 118.700 0.186 0.000 2.546 450 N HA 0.365 5.105 4.740 -0.001 0.000 0.238 450 N C 0.014 175.559 175.510 0.058 0.000 0.984 450 N CA -0.349 52.780 53.050 0.132 0.000 0.935 450 N CB 1.634 40.166 38.487 0.076 0.000 1.122 450 N HN 0.722 nan 8.380 nan 0.000 0.510 451 L N 3.107 124.337 121.223 0.012 0.000 2.607 451 L HA 0.143 4.482 4.340 -0.001 0.000 0.228 451 L C 2.043 178.910 176.870 -0.005 0.000 1.123 451 L CA -0.001 54.839 54.840 0.000 0.000 0.890 451 L CB 0.142 42.175 42.059 -0.043 0.000 1.103 451 L HN 0.453 nan 8.230 nan 0.000 0.468 452 K N 0.919 121.260 120.400 -0.099 0.000 2.000 452 K HA -0.209 4.111 4.320 -0.001 0.000 0.218 452 K C 0.601 177.110 176.600 -0.152 0.000 1.053 452 K CA 1.599 57.750 56.287 -0.227 0.000 0.946 452 K CB -0.029 32.373 32.500 -0.163 0.000 0.723 452 K HN 0.112 nan 8.250 nan 0.000 0.446 453 E N 0.657 120.837 120.200 -0.033 0.000 2.452 453 E HA 0.016 4.366 4.350 -0.001 0.000 0.293 453 E C 0.145 176.796 176.600 0.085 0.000 1.535 453 E CA 0.199 56.620 56.400 0.035 0.000 1.816 453 E CB 0.421 30.148 29.700 0.046 0.000 1.494 453 E HN 0.128 nan 8.360 nan 0.000 0.464 454 K N -0.536 119.932 120.400 0.113 0.000 2.511 454 K HA 0.161 4.481 4.320 -0.001 0.000 0.206 454 K C 0.076 176.804 176.600 0.213 0.000 1.333 454 K CA -0.089 56.287 56.287 0.148 0.000 0.957 454 K CB 0.338 32.893 32.500 0.092 0.000 1.172 454 K HN 0.112 nan 8.250 nan 0.000 0.547 455 F N 2.104 121.973 119.950 -0.134 0.000 2.518 455 F HA 0.161 4.687 4.527 -0.001 0.000 0.359 455 F C 0.827 176.757 175.800 0.217 0.000 1.118 455 F CA 0.298 58.226 58.000 -0.120 0.000 1.287 455 F CB 0.814 39.456 39.000 -0.596 0.000 1.132 455 F HN -0.244 nan 8.300 nan 0.000 0.587 456 S N 1.299 117.386 115.700 0.646 0.000 2.603 456 S HA 0.625 5.095 4.470 -0.001 0.000 0.274 456 S C 0.269 175.164 174.600 0.492 0.000 1.168 456 S CA -0.129 58.441 58.200 0.618 0.000 0.963 456 S CB 1.252 64.783 63.200 0.551 0.000 1.078 456 S HN 0.778 nan 8.310 nan 0.000 0.477 457 A N 2.734 125.719 122.820 0.276 0.000 1.872 457 A HA 0.069 4.388 4.320 -0.001 0.000 0.214 457 A C 0.786 178.350 177.584 -0.033 0.000 1.187 457 A CA 1.325 53.155 52.037 -0.345 0.000 0.614 457 A CB -0.714 18.122 19.000 -0.273 0.000 0.826 457 A HN 0.912 nan 8.150 nan 0.000 0.442 458 D N 1.479 121.923 120.400 0.073 0.000 2.426 458 D HA 0.050 4.689 4.640 -0.001 0.000 0.271 458 D C 0.849 177.222 176.300 0.121 0.000 1.376 458 D CA -0.031 54.011 54.000 0.071 0.000 1.149 458 D CB -0.306 40.512 40.800 0.030 0.000 1.118 458 D HN 0.446 nan 8.370 nan 0.000 0.529 459 L N 1.027 122.358 121.223 0.180 0.000 2.191 459 L HA -0.207 4.133 4.340 -0.001 0.000 0.212 459 L C 1.044 177.994 176.870 0.133 0.000 1.103 459 L CA 1.259 56.252 54.840 0.255 0.000 0.769 459 L CB -0.585 41.626 42.059 0.255 0.000 0.908 459 L HN 0.199 nan 8.230 nan 0.000 0.438 460 D N -0.109 120.321 120.400 0.051 0.000 2.421 460 D HA -0.181 4.459 4.640 -0.001 0.000 0.223 460 D C 1.396 177.647 176.300 -0.081 0.000 0.979 460 D CA 0.723 54.719 54.000 -0.007 0.000 0.959 460 D CB -0.153 40.636 40.800 -0.018 0.000 0.874 460 D HN 0.409 nan 8.370 nan 0.000 0.513 461 Q N -0.662 119.025 119.800 -0.187 0.000 2.157 461 Q HA 0.276 4.616 4.340 -0.001 0.000 0.229 461 Q C -0.527 175.052 176.000 -0.702 0.000 0.827 461 Q CA -0.098 55.438 55.803 -0.444 0.000 1.055 461 Q CB 0.679 29.088 28.738 -0.549 0.000 1.157 461 Q HN 0.311 nan 8.270 nan 0.000 0.482 462 F N 0.934 120.817 119.950 -0.111 0.000 2.608 462 F HA 0.283 4.809 4.527 -0.001 0.000 0.309 462 F C -1.679 174.110 175.800 -0.019 0.000 1.103 462 F CA -2.001 55.909 58.000 -0.151 0.000 0.954 462 F CB 2.583 41.305 39.000 -0.462 0.000 1.267 462 F HN -0.229 nan 8.300 nan 0.000 0.444 463 P HA -0.191 nan 4.420 nan 0.000 0.214 463 P C 1.866 179.256 177.300 0.150 0.000 1.163 463 P CA 1.437 64.616 63.100 0.132 0.000 0.883 463 P CB 0.724 32.474 31.700 0.083 0.000 0.788 464 L N -0.530 120.790 121.223 0.162 0.000 2.079 464 L HA -0.100 4.240 4.340 -0.001 0.000 0.210 464 L C 2.578 179.593 176.870 0.242 0.000 1.081 464 L CA 2.074 56.969 54.840 0.093 0.000 0.752 464 L CB -1.203 40.828 42.059 -0.047 0.000 0.896 464 L HN 0.019 nan 8.230 nan 0.000 0.433 465 G N -0.714 108.295 108.800 0.347 0.000 2.484 465 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.215 465 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.215 465 G C 1.467 176.523 174.900 0.261 0.000 1.219 465 G CA 0.737 46.048 45.100 0.352 0.000 0.791 465 G HN 0.301 nan 8.290 nan 0.000 0.550 466 R N 0.228 120.838 120.500 0.184 0.000 2.279 466 R HA -0.274 4.066 4.340 -0.001 0.000 0.264 466 R C 2.588 178.955 176.300 0.111 0.000 1.138 466 R CA 2.281 58.446 56.100 0.109 0.000 0.981 466 R CB -0.278 30.069 30.300 0.079 0.000 0.909 466 R HN 0.349 nan 8.270 nan 0.000 0.462 467 K N -0.894 119.617 120.400 0.185 0.000 2.029 467 K HA -0.069 4.250 4.320 -0.001 0.000 0.205 467 K C 1.853 178.633 176.600 0.300 0.000 1.042 467 K CA 1.034 57.465 56.287 0.239 0.000 0.949 467 K CB -0.345 32.311 32.500 0.260 0.000 0.740 467 K HN 0.000 nan 8.250 nan 0.000 0.442 468 F N 2.090 122.211 119.950 0.285 0.000 2.111 468 F HA -0.276 4.251 4.527 -0.001 0.000 0.300 468 F C 1.840 177.476 175.800 -0.274 0.000 1.088 468 F CA 1.370 59.305 58.000 -0.108 0.000 1.243 468 F CB -0.516 38.461 39.000 -0.039 0.000 0.996 468 F HN -0.044 nan 8.300 nan 0.000 0.483 469 L N -0.280 120.786 121.223 -0.261 0.000 2.131 469 L HA -0.119 4.221 4.340 -0.001 0.000 0.210 469 L C 2.084 178.755 176.870 -0.332 0.000 1.092 469 L CA 1.268 55.879 54.840 -0.382 0.000 0.759 469 L CB -0.551 41.430 42.059 -0.129 0.000 0.903 469 L HN 0.242 nan 8.230 nan 0.000 0.435 470 L N -0.993 120.111 121.223 -0.198 0.000 2.675 470 L HA -0.041 4.298 4.340 -0.001 0.000 0.239 470 L C 1.696 178.434 176.870 -0.221 0.000 1.151 470 L CA 0.193 54.938 54.840 -0.159 0.000 0.905 470 L CB -0.117 41.906 42.059 -0.060 0.000 1.057 470 L HN 0.457 nan 8.230 nan 0.000 0.435 471 Q N -0.559 119.003 119.800 -0.397 0.000 2.164 471 Q HA 0.165 4.505 4.340 -0.001 0.000 0.165 471 Q C 0.728 176.406 176.000 -0.537 0.000 0.570 471 Q CA -0.100 55.440 55.803 -0.439 0.000 0.759 471 Q CB 0.110 28.504 28.738 -0.574 0.000 1.059 471 Q HN 0.153 nan 8.270 nan 0.000 0.464 472 L N 0.000 120.730 121.223 -0.822 0.000 2.949 472 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 472 L CA 0.000 54.464 54.840 -0.626 0.000 0.813 472 L CB 0.000 41.706 42.059 -0.588 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502