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 3hm7_1_F DATA FIRST_RESID 3 DATA SEQUENCE RFDLIIRSST VVTETTTYRA DVAIRNGIVS AITEPGSISS DDGPAIDGTG DATA SEQUENCE LHLFPGMVDV HVHFNEPGRT EWEGFASGSK SLAAGGVTTY FDMPLNSNPP DATA SEQUENCE TITREELDKK RQLANEKSLV DYRFWGGLVP GNIDHLQDLH DGGVIGFKAF DATA SEQUENCE MSECGTDDFQ FSHDETLLKG MKKIAALGSI LAVHAESNEM VNALTTIAIE DATA SEQUENCE EQRLTVKDYS EARPIVSELE AVERILRFAQ LTCCPIHICH VSSRKVLKRI DATA SEQUENCE KQAKGEGVNV SVETCPHYLL FSLDEFAEIG YLAKCAPPLR ERQEVEDLWD DATA SEQUENCE GLMAGEIDLI SSDHSPSLPQ MKTGKTIFEV WGGIAGCQNT LAVMLTEGYH DATA SEQUENCE KRKMPLTQIV QLLSTEPAKR FGLYPQKGTI QVGAEASFTL IDLNESYTLN DATA SEQUENCE ASDLYYRHPI SPYVGQRFRG KVKHTICQGK HVYQDH 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.045 176.300 -0.426 0.000 0.893 3 R CA 0.000 55.908 56.100 -0.320 0.000 0.921 3 R CB 0.000 30.039 30.300 -0.436 0.000 0.687 4 F N 1.718 121.675 119.950 0.012 0.000 2.532 4 F HA 0.367 4.894 4.527 -0.000 0.000 0.321 4 F C 0.612 176.424 175.800 0.020 0.000 1.089 4 F CA -1.048 56.963 58.000 0.018 0.000 0.926 4 F CB 1.871 40.882 39.000 0.020 0.000 1.168 4 F HN -0.089 nan 8.300 nan 0.000 0.459 5 D N 1.036 121.580 120.400 0.240 0.000 2.123 5 D HA 0.018 4.658 4.640 -0.000 0.000 0.200 5 D C 0.126 176.502 176.300 0.127 0.000 0.976 5 D CA 1.542 55.626 54.000 0.140 0.000 0.831 5 D CB 0.261 41.126 40.800 0.108 0.000 0.974 5 D HN 0.222 nan 8.370 nan 0.000 0.469 6 L N -0.674 120.630 121.223 0.135 0.000 2.518 6 L HA 0.508 4.848 4.340 -0.000 0.000 0.257 6 L C -1.997 174.899 176.870 0.044 0.000 0.980 6 L CA -0.925 53.974 54.840 0.097 0.000 0.837 6 L CB 2.468 44.592 42.059 0.108 0.000 1.410 6 L HN -0.088 nan 8.230 nan 0.000 0.410 7 I N 3.735 124.312 120.570 0.012 0.000 2.534 7 I HA 0.502 4.672 4.170 -0.000 0.000 0.288 7 I C -1.259 174.821 176.117 -0.063 0.000 1.077 7 I CA -0.631 60.629 61.300 -0.067 0.000 1.051 7 I CB 1.518 39.461 38.000 -0.095 0.000 1.234 7 I HN 0.435 nan 8.210 nan 0.000 0.425 8 I N 7.615 128.120 120.570 -0.109 0.000 2.269 8 I HA 0.337 4.507 4.170 -0.000 0.000 0.293 8 I C 0.477 176.508 176.117 -0.144 0.000 1.106 8 I CA -0.078 61.141 61.300 -0.135 0.000 1.248 8 I CB -0.197 37.668 38.000 -0.225 0.000 1.444 8 I HN 0.556 nan 8.210 nan 0.000 0.497 9 R N 3.644 124.080 120.500 -0.106 0.000 2.410 9 R HA 0.314 4.654 4.340 -0.000 0.000 0.288 9 R C 0.823 177.068 176.300 -0.091 0.000 1.051 9 R CA -0.254 55.792 56.100 -0.089 0.000 1.021 9 R CB 1.047 31.311 30.300 -0.059 0.000 1.032 9 R HN 0.664 nan 8.270 nan 0.000 0.481 10 S N -0.407 115.242 115.700 -0.085 0.000 3.270 10 S HA -0.197 4.273 4.470 -0.000 0.000 0.293 10 S C 0.381 174.917 174.600 -0.107 0.000 1.278 10 S CA 1.256 59.409 58.200 -0.079 0.000 1.038 10 S CB -1.351 61.816 63.200 -0.055 0.000 1.218 10 S HN 0.886 nan 8.310 nan 0.000 0.659 11 S N 0.500 116.116 115.700 -0.139 0.000 2.617 11 S HA 0.554 5.024 4.470 -0.000 0.000 0.269 11 S C 0.107 174.566 174.600 -0.236 0.000 1.292 11 S CA -0.418 57.675 58.200 -0.178 0.000 1.010 11 S CB 1.135 64.226 63.200 -0.181 0.000 0.944 11 S HN 0.235 nan 8.310 nan 0.000 0.536 12 T N 2.457 116.814 114.554 -0.328 0.000 2.762 12 T HA 0.333 4.683 4.350 -0.000 0.000 0.303 12 T C -0.077 174.408 174.700 -0.358 0.000 0.977 12 T CA -0.538 61.326 62.100 -0.393 0.000 0.961 12 T CB 0.285 68.767 68.868 -0.643 0.000 0.944 12 T HN 0.534 nan 8.240 nan 0.000 0.481 13 V N 5.136 124.762 119.914 -0.481 0.000 2.529 13 V HA 0.252 4.372 4.120 -0.000 0.000 0.292 13 V C 0.535 176.332 176.094 -0.494 0.000 1.028 13 V CA -0.258 61.705 62.300 -0.562 0.000 1.074 13 V CB 0.686 31.954 31.823 -0.926 0.000 0.958 13 V HN 0.719 nan 8.190 nan 0.000 0.481 14 V N 3.663 123.356 119.914 -0.368 0.000 2.604 14 V HA 0.976 5.096 4.120 -0.000 0.000 0.305 14 V C -0.095 175.783 176.094 -0.360 0.000 1.043 14 V CA 0.327 62.395 62.300 -0.386 0.000 0.888 14 V CB 2.087 33.591 31.823 -0.531 0.000 0.995 14 V HN 0.998 nan 8.190 nan 0.000 0.429 15 T N 1.279 115.697 114.554 -0.226 0.000 2.633 15 T HA 0.485 4.835 4.350 -0.000 0.000 0.262 15 T C 0.888 175.529 174.700 -0.097 0.000 0.920 15 T CA 0.211 62.239 62.100 -0.119 0.000 1.062 15 T CB 1.401 70.266 68.868 -0.005 0.000 1.390 15 T HN 0.926 nan 8.240 nan 0.000 0.549 16 E N 0.059 120.250 120.200 -0.016 0.000 2.268 16 E HA -0.052 4.298 4.350 -0.000 0.000 0.195 16 E C 1.581 178.179 176.600 -0.002 0.000 0.995 16 E CA 1.573 57.972 56.400 -0.001 0.000 0.836 16 E CB -0.445 29.279 29.700 0.041 0.000 0.763 16 E HN 0.778 nan 8.360 nan 0.000 0.491 17 T N -3.529 111.030 114.554 0.010 0.000 2.989 17 T HA 0.126 4.476 4.350 -0.000 0.000 0.250 17 T C 0.811 175.522 174.700 0.019 0.000 0.981 17 T CA 0.423 62.533 62.100 0.017 0.000 0.980 17 T CB 0.854 69.741 68.868 0.032 0.000 1.133 17 T HN 0.065 nan 8.240 nan 0.000 0.489 18 T N 0.854 115.426 114.554 0.031 0.000 2.865 18 T HA 0.627 4.977 4.350 -0.000 0.000 0.294 18 T C -1.755 172.977 174.700 0.055 0.000 1.119 18 T CA -0.311 61.830 62.100 0.070 0.000 1.007 18 T CB 2.067 71.013 68.868 0.130 0.000 1.225 18 T HN 0.200 nan 8.240 nan 0.000 0.515 19 T N 2.751 117.364 114.554 0.099 0.000 2.921 19 T HA 0.713 5.063 4.350 -0.000 0.000 0.297 19 T C -1.775 173.017 174.700 0.155 0.000 1.013 19 T CA -0.487 61.633 62.100 0.034 0.000 0.990 19 T CB 0.667 69.546 68.868 0.019 0.000 1.023 19 T HN 0.637 nan 8.240 nan 0.000 0.447 20 Y N -0.143 120.129 120.300 -0.047 0.000 2.677 20 Y HA 0.676 5.226 4.550 -0.000 0.000 0.334 20 Y C -1.243 174.613 175.900 -0.074 0.000 1.196 20 Y CA -1.598 56.471 58.100 -0.050 0.000 1.059 20 Y CB 1.080 39.511 38.460 -0.047 0.000 1.315 20 Y HN 0.261 nan 8.280 nan 0.000 0.455 21 R N 1.973 122.523 120.500 0.083 0.000 2.221 21 R HA 0.843 5.183 4.340 -0.000 0.000 0.327 21 R C -0.934 175.413 176.300 0.078 0.000 1.033 21 R CA -0.321 55.772 56.100 -0.013 0.000 0.887 21 R CB 1.178 31.474 30.300 -0.006 0.000 1.057 21 R HN 0.968 nan 8.270 nan 0.000 0.455 22 A N 2.691 125.496 122.820 -0.024 0.000 2.612 22 A HA 0.401 4.721 4.320 -0.000 0.000 0.293 22 A C -1.512 176.025 177.584 -0.077 0.000 1.075 22 A CA -0.948 51.099 52.037 0.017 0.000 0.680 22 A CB 1.557 20.665 19.000 0.180 0.000 1.279 22 A HN 0.495 nan 8.150 nan 0.000 0.411 23 D N 0.282 120.641 120.400 -0.069 0.000 2.225 23 D HA 0.532 5.172 4.640 -0.000 0.000 0.249 23 D C -0.721 175.492 176.300 -0.146 0.000 1.052 23 D CA 0.086 54.018 54.000 -0.113 0.000 0.909 23 D CB 1.847 42.591 40.800 -0.093 0.000 1.186 23 D HN 0.213 nan 8.370 nan 0.000 0.431 24 V N 1.261 121.053 119.914 -0.204 0.000 2.443 24 V HA 0.608 4.728 4.120 -0.000 0.000 0.293 24 V C -0.346 175.597 176.094 -0.252 0.000 1.021 24 V CA -0.807 61.352 62.300 -0.235 0.000 0.848 24 V CB 1.577 33.193 31.823 -0.346 0.000 0.998 24 V HN 0.692 nan 8.190 nan 0.000 0.424 25 A N 6.618 129.235 122.820 -0.338 0.000 2.288 25 A HA 0.881 5.201 4.320 -0.000 0.000 0.320 25 A C -0.668 176.710 177.584 -0.345 0.000 1.217 25 A CA -0.421 51.263 52.037 -0.587 0.000 0.840 25 A CB 0.522 18.645 19.000 -1.461 0.000 1.179 25 A HN 0.769 nan 8.150 nan 0.000 0.504 26 I N 1.976 122.463 120.570 -0.138 0.000 2.412 26 I HA 0.544 4.714 4.170 -0.000 0.000 0.296 26 I C 0.436 176.653 176.117 0.165 0.000 0.987 26 I CA -0.314 61.021 61.300 0.059 0.000 1.180 26 I CB 1.577 39.645 38.000 0.114 0.000 1.340 26 I HN 0.747 nan 8.210 nan 0.000 0.455 27 R N 5.390 125.991 120.500 0.167 0.000 2.510 27 R HA 0.339 4.679 4.340 -0.000 0.000 0.294 27 R C -0.785 175.572 176.300 0.094 0.000 1.056 27 R CA -0.511 55.697 56.100 0.179 0.000 0.918 27 R CB 0.771 31.219 30.300 0.246 0.000 1.187 27 R HN 0.815 nan 8.270 nan 0.000 0.437 28 N N 2.985 121.725 118.700 0.067 0.000 2.725 28 N HA -0.228 4.512 4.740 -0.000 0.000 0.251 28 N C 0.518 176.038 175.510 0.016 0.000 1.031 28 N CA 0.895 53.966 53.050 0.034 0.000 0.720 28 N CB -0.744 37.758 38.487 0.026 0.000 0.930 28 N HN 1.088 nan 8.380 nan 0.000 0.543 29 G N -0.990 107.817 108.800 0.012 0.000 2.162 29 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 29 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 29 G C 0.206 175.086 174.900 -0.034 0.000 0.976 29 G CA 0.714 45.800 45.100 -0.023 0.000 0.655 29 G HN 0.880 nan 8.290 nan 0.000 0.533 30 I N -2.833 117.738 120.570 0.002 0.000 3.002 30 I HA 0.819 4.989 4.170 -0.000 0.000 0.310 30 I C 0.306 176.455 176.117 0.053 0.000 1.087 30 I CA -1.816 59.490 61.300 0.010 0.000 1.017 30 I CB 2.052 40.056 38.000 0.007 0.000 1.226 30 I HN -0.086 nan 8.210 nan 0.000 0.443 31 V N 3.095 123.052 119.914 0.072 0.000 2.521 31 V HA 0.077 4.197 4.120 -0.000 0.000 0.286 31 V C 1.071 177.196 176.094 0.052 0.000 1.034 31 V CA 0.510 62.861 62.300 0.084 0.000 1.045 31 V CB 0.616 32.504 31.823 0.108 0.000 0.974 31 V HN 0.976 nan 8.190 nan 0.000 0.480 32 S N 3.146 118.871 115.700 0.040 0.000 2.502 32 S HA 0.514 4.984 4.470 -0.000 0.000 0.228 32 S C 0.545 175.178 174.600 0.055 0.000 1.061 32 S CA 0.569 58.825 58.200 0.093 0.000 0.935 32 S CB 0.284 63.637 63.200 0.255 0.000 0.809 32 S HN 1.095 nan 8.310 nan 0.000 0.510 33 A N 0.643 123.428 122.820 -0.058 0.000 2.547 33 A HA 0.714 5.033 4.320 -0.000 0.000 0.297 33 A C -1.510 176.007 177.584 -0.112 0.000 1.056 33 A CA -0.660 51.337 52.037 -0.067 0.000 0.688 33 A CB 1.011 19.982 19.000 -0.048 0.000 1.282 33 A HN 0.369 nan 8.150 nan 0.000 0.400 34 I N 2.183 122.720 120.570 -0.055 0.000 2.418 34 I HA 0.590 4.760 4.170 -0.000 0.000 0.287 34 I C 0.241 176.343 176.117 -0.025 0.000 1.008 34 I CA -0.399 60.877 61.300 -0.041 0.000 1.104 34 I CB 2.320 40.330 38.000 0.016 0.000 1.264 34 I HN 0.793 nan 8.210 nan 0.000 0.438 35 T N 0.858 115.395 114.554 -0.030 0.000 2.901 35 T HA 0.470 4.820 4.350 -0.000 0.000 0.293 35 T C -0.517 174.180 174.700 -0.004 0.000 1.084 35 T CA -1.044 61.046 62.100 -0.016 0.000 1.008 35 T CB 1.718 70.575 68.868 -0.018 0.000 1.170 35 T HN 0.646 nan 8.240 nan 0.000 0.509 36 E N 0.765 120.964 120.200 -0.002 0.000 2.392 36 E HA 0.284 4.634 4.350 -0.000 0.000 0.264 36 E C -2.471 174.126 176.600 -0.004 0.000 1.024 36 E CA -1.791 54.611 56.400 0.004 0.000 0.903 36 E CB -0.552 29.147 29.700 -0.001 0.000 0.963 36 E HN 0.266 nan 8.360 nan 0.000 0.432 37 P HA -0.052 nan 4.420 nan 0.000 0.253 37 P C 0.513 177.806 177.300 -0.012 0.000 1.159 37 P CA 1.704 64.794 63.100 -0.016 0.000 0.779 37 P CB 0.083 31.773 31.700 -0.016 0.000 0.745 38 G N 2.774 111.566 108.800 -0.014 0.000 2.132 38 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.234 38 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.234 38 G C 1.307 176.209 174.900 0.004 0.000 0.989 38 G CA 0.349 45.446 45.100 -0.005 0.000 0.676 38 G HN 0.525 nan 8.290 nan 0.000 0.522 39 S N -1.156 114.547 115.700 0.005 0.000 2.387 39 S HA 0.229 4.699 4.470 -0.000 0.000 0.226 39 S C 1.283 175.903 174.600 0.034 0.000 1.026 39 S CA 0.883 59.092 58.200 0.016 0.000 0.972 39 S CB -0.107 63.100 63.200 0.013 0.000 0.814 39 S HN 0.456 nan 8.310 nan 0.000 0.477 40 I N 2.218 122.814 120.570 0.042 0.000 2.519 40 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 40 I C 0.412 176.571 176.117 0.070 0.000 1.047 40 I CA 0.183 61.536 61.300 0.087 0.000 1.381 40 I CB 1.382 39.463 38.000 0.134 0.000 1.417 40 I HN 0.040 nan 8.210 nan 0.000 0.540 41 S N 3.561 119.307 115.700 0.077 0.000 2.558 41 S HA -0.078 4.392 4.470 -0.000 0.000 0.293 41 S C 1.390 176.023 174.600 0.054 0.000 1.292 41 S CA 0.046 58.278 58.200 0.053 0.000 1.063 41 S CB 0.564 63.790 63.200 0.044 0.000 0.831 41 S HN 0.755 nan 8.310 nan 0.000 0.499 42 S N 1.180 116.901 115.700 0.035 0.000 2.469 42 S HA -0.107 4.363 4.470 -0.000 0.000 0.238 42 S C 0.674 175.294 174.600 0.032 0.000 0.998 42 S CA 0.929 59.146 58.200 0.029 0.000 0.957 42 S CB -0.197 63.013 63.200 0.017 0.000 0.764 42 S HN 0.634 nan 8.310 nan 0.000 0.514 43 D N 0.741 121.161 120.400 0.033 0.000 2.388 43 D HA 0.211 4.851 4.640 -0.000 0.000 0.221 43 D C 0.144 176.465 176.300 0.036 0.000 1.133 43 D CA 0.024 54.041 54.000 0.028 0.000 0.831 43 D CB 0.275 41.085 40.800 0.016 0.000 0.962 43 D HN 0.281 nan 8.370 nan 0.000 0.502 44 D N 0.056 120.495 120.400 0.066 0.000 2.440 44 D HA 0.285 4.924 4.640 -0.000 0.000 0.216 44 D C 0.597 176.987 176.300 0.150 0.000 1.150 44 D CA 0.147 54.197 54.000 0.084 0.000 0.832 44 D CB 1.330 42.194 40.800 0.108 0.000 0.992 44 D HN 0.175 nan 8.370 nan 0.000 0.502 45 G N 0.864 109.739 108.800 0.124 0.000 2.411 45 G HA2 0.344 4.304 3.960 -0.000 0.000 0.295 45 G HA3 0.344 4.304 3.960 -0.000 0.000 0.295 45 G C -3.039 171.909 174.900 0.080 0.000 1.542 45 G CA -0.922 44.259 45.100 0.134 0.000 0.814 45 G HN -0.245 nan 8.290 nan 0.000 0.557 46 P HA 0.536 nan 4.420 nan 0.000 0.271 46 P C -0.278 177.046 177.300 0.039 0.000 1.216 46 P CA 0.044 63.170 63.100 0.042 0.000 0.776 46 P CB 1.463 33.187 31.700 0.040 0.000 0.881 47 A N 2.991 125.822 122.820 0.017 0.000 2.449 47 A HA 0.677 4.997 4.320 -0.000 0.000 0.302 47 A C -1.099 176.475 177.584 -0.018 0.000 1.048 47 A CA -0.572 51.466 52.037 0.002 0.000 0.708 47 A CB 1.064 20.062 19.000 -0.004 0.000 1.274 47 A HN 0.348 nan 8.150 nan 0.000 0.410 48 I N 1.472 122.019 120.570 -0.038 0.000 2.377 48 I HA 0.288 4.458 4.170 -0.000 0.000 0.293 48 I C -0.365 175.690 176.117 -0.104 0.000 0.987 48 I CA -0.517 60.725 61.300 -0.097 0.000 1.185 48 I CB 1.227 39.122 38.000 -0.175 0.000 1.341 48 I HN 0.758 nan 8.210 nan 0.000 0.455 49 D N 4.146 124.494 120.400 -0.087 0.000 2.316 49 D HA 0.450 5.090 4.640 -0.000 0.000 0.245 49 D C 0.860 177.121 176.300 -0.064 0.000 1.171 49 D CA 0.044 54.009 54.000 -0.058 0.000 0.856 49 D CB 0.994 41.780 40.800 -0.023 0.000 1.090 49 D HN 0.776 nan 8.370 nan 0.000 0.476 50 G N 2.761 111.519 108.800 -0.070 0.000 3.820 50 G HA2 0.053 4.013 3.960 -0.000 0.000 0.293 50 G HA3 0.053 4.013 3.960 -0.000 0.000 0.293 50 G C 0.266 175.141 174.900 -0.042 0.000 1.152 50 G CA -0.410 44.657 45.100 -0.054 0.000 0.921 50 G HN 0.437 nan 8.290 nan 0.000 0.544 51 T N 0.744 115.282 114.554 -0.027 0.000 2.867 51 T HA 0.401 4.751 4.350 -0.000 0.000 0.297 51 T C 1.513 176.213 174.700 0.000 0.000 0.989 51 T CA 1.202 63.289 62.100 -0.022 0.000 1.159 51 T CB 0.996 69.858 68.868 -0.010 0.000 0.928 51 T HN 1.016 nan 8.240 nan 0.000 0.538 52 G N 2.704 111.498 108.800 -0.010 0.000 2.159 52 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.256 52 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.256 52 G C -0.042 174.897 174.900 0.065 0.000 0.977 52 G CA -0.176 44.942 45.100 0.030 0.000 0.652 52 G HN 0.654 nan 8.290 nan 0.000 0.531 53 L N -0.746 120.487 121.223 0.017 0.000 2.323 53 L HA 0.738 5.078 4.340 -0.000 0.000 0.265 53 L C -0.073 176.785 176.870 -0.019 0.000 1.012 53 L CA -1.358 53.531 54.840 0.082 0.000 0.820 53 L CB 1.771 43.875 42.059 0.076 0.000 1.334 53 L HN 0.106 nan 8.230 nan 0.000 0.427 54 H N 1.087 120.200 119.070 0.071 0.000 2.466 54 H HA 0.446 5.002 4.556 -0.000 0.000 0.338 54 H C -0.902 174.527 175.328 0.168 0.000 1.091 54 H CA -0.449 55.664 56.048 0.107 0.000 1.207 54 H CB 1.980 31.872 29.762 0.218 0.000 1.466 54 H HN 0.239 nan 8.280 nan 0.000 0.493 55 L N 4.576 125.875 121.223 0.127 0.000 2.259 55 L HA 0.355 4.695 4.340 -0.000 0.000 0.288 55 L C -1.377 175.583 176.870 0.151 0.000 1.051 55 L CA 0.072 54.959 54.840 0.080 0.000 0.824 55 L CB -0.511 41.445 42.059 -0.170 0.000 1.206 55 L HN 0.490 nan 8.230 nan 0.000 0.429 56 F N 6.065 126.013 119.950 -0.003 0.000 2.397 56 F HA 0.512 5.039 4.527 -0.000 0.000 0.331 56 F C -1.722 174.122 175.800 0.075 0.000 1.090 56 F CA -2.247 55.761 58.000 0.013 0.000 1.065 56 F CB 1.171 40.176 39.000 0.009 0.000 1.184 56 F HN 0.438 nan 8.300 nan 0.000 0.499 57 P HA 0.088 nan 4.420 nan 0.000 0.271 57 P C -0.203 177.214 177.300 0.195 0.000 1.216 57 P CA -0.300 62.931 63.100 0.218 0.000 0.771 57 P CB 0.485 32.268 31.700 0.138 0.000 0.864 58 G N 4.477 113.366 108.800 0.148 0.000 2.224 58 G HA2 0.098 4.058 3.960 -0.000 0.000 0.239 58 G HA3 0.098 4.058 3.960 -0.000 0.000 0.239 58 G C 0.341 175.275 174.900 0.057 0.000 1.240 58 G CA -0.448 44.697 45.100 0.076 0.000 0.896 58 G HN 0.329 nan 8.290 nan 0.000 0.496 59 M N 0.944 120.572 119.600 0.046 0.000 2.240 59 M HA 0.145 4.625 4.480 -0.000 0.000 0.317 59 M C 0.149 176.442 176.300 -0.013 0.000 1.087 59 M CA -0.001 55.315 55.300 0.026 0.000 1.176 59 M CB 0.783 33.388 32.600 0.010 0.000 1.439 59 M HN 0.129 nan 8.290 nan 0.000 0.452 60 V N 1.652 121.537 119.914 -0.048 0.000 2.447 60 V HA 0.210 4.330 4.120 -0.000 0.000 0.292 60 V C -0.750 175.227 176.094 -0.196 0.000 1.021 60 V CA -0.937 61.274 62.300 -0.148 0.000 0.850 60 V CB 1.711 33.427 31.823 -0.178 0.000 1.005 60 V HN 0.739 nan 8.190 nan 0.000 0.426 61 D N 3.677 123.966 120.400 -0.186 0.000 2.412 61 D HA 0.253 4.893 4.640 -0.000 0.000 0.224 61 D C 0.846 177.003 176.300 -0.238 0.000 1.093 61 D CA -0.288 53.639 54.000 -0.122 0.000 0.850 61 D CB 2.005 42.803 40.800 -0.005 0.000 1.046 61 D HN 0.417 nan 8.370 nan 0.000 0.507 62 V N 2.017 121.771 119.914 -0.267 0.000 3.573 62 V HA 0.196 4.316 4.120 -0.000 0.000 0.270 62 V C 0.363 176.603 176.094 0.242 0.000 1.221 62 V CA 0.511 62.634 62.300 -0.295 0.000 1.163 62 V CB -0.985 30.665 31.823 -0.288 0.000 0.847 62 V HN 0.612 nan 8.190 nan 0.000 0.468 63 H N 0.368 119.465 119.070 0.045 0.000 2.808 63 H HA 0.642 5.198 4.556 -0.000 0.000 0.268 63 H C -1.068 174.213 175.328 -0.079 0.000 1.306 63 H CA -0.373 55.672 56.048 -0.005 0.000 1.565 63 H CB 1.423 31.191 29.762 0.011 0.000 1.632 63 H HN 0.378 nan 8.280 nan 0.000 0.525 64 V N 1.012 120.925 119.914 -0.003 0.000 2.962 64 V HA 0.482 4.602 4.120 -0.000 0.000 0.313 64 V C -0.737 175.131 176.094 -0.377 0.000 1.099 64 V CA -0.843 61.340 62.300 -0.195 0.000 0.971 64 V CB 2.315 33.795 31.823 -0.572 0.000 1.028 64 V HN 0.665 nan 8.190 nan 0.000 0.430 65 H N 4.445 123.551 119.070 0.061 0.000 2.697 65 H HA 0.444 5.000 4.556 -0.000 0.000 0.270 65 H C -0.619 174.849 175.328 0.232 0.000 1.188 65 H CA -0.421 55.700 56.048 0.122 0.000 1.322 65 H CB 1.090 30.989 29.762 0.227 0.000 1.405 65 H HN 0.713 nan 8.280 nan 0.000 0.502 66 F N 1.105 121.115 119.950 0.100 0.000 2.664 66 F HA 0.001 4.528 4.527 -0.000 0.000 0.296 66 F C 1.070 176.790 175.800 -0.135 0.000 1.125 66 F CA -0.276 57.679 58.000 -0.075 0.000 1.444 66 F CB -0.369 38.416 39.000 -0.360 0.000 1.114 66 F HN 0.499 nan 8.300 nan 0.000 0.576 67 N N 0.019 118.766 118.700 0.079 0.000 2.800 67 N HA -0.275 4.465 4.740 -0.000 0.000 0.250 67 N C 0.107 175.557 175.510 -0.100 0.000 1.078 67 N CA 0.705 53.737 53.050 -0.030 0.000 0.804 67 N CB -1.250 37.189 38.487 -0.080 0.000 1.135 67 N HN 0.486 nan 8.380 nan 0.000 0.565 68 E N 1.175 121.299 120.200 -0.128 0.000 2.151 68 E HA 0.356 4.706 4.350 -0.000 0.000 0.275 68 E C -2.465 174.209 176.600 0.124 0.000 0.936 68 E CA -2.131 54.249 56.400 -0.034 0.000 0.777 68 E CB 1.679 31.359 29.700 -0.033 0.000 1.108 68 E HN -0.013 nan 8.360 nan 0.000 0.401 69 P HA 0.350 nan 4.420 nan 0.000 0.284 69 P C 0.496 177.774 177.300 -0.038 0.000 1.292 69 P CA 0.503 63.624 63.100 0.034 0.000 0.800 69 P CB 1.383 33.109 31.700 0.043 0.000 1.188 70 G N 0.666 109.428 108.800 -0.063 0.000 2.659 70 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.212 70 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.212 70 G C 0.615 175.390 174.900 -0.207 0.000 1.226 70 G CA -0.152 44.879 45.100 -0.115 0.000 0.739 70 G HN 0.562 nan 8.290 nan 0.000 0.528 71 R N 0.867 121.179 120.500 -0.313 0.000 2.776 71 R HA 0.383 4.723 4.340 -0.000 0.000 0.391 71 R C 1.420 177.526 176.300 -0.324 0.000 1.116 71 R CA 0.512 56.281 56.100 -0.553 0.000 1.056 71 R CB 0.256 29.789 30.300 -1.278 0.000 1.369 71 R HN 0.314 nan 8.270 nan 0.000 0.590 72 T N 0.394 114.872 114.554 -0.126 0.000 2.849 72 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 72 T C 1.226 175.955 174.700 0.049 0.000 1.066 72 T CA 1.282 63.366 62.100 -0.027 0.000 1.130 72 T CB 0.040 68.909 68.868 0.002 0.000 0.864 72 T HN 0.242 nan 8.240 nan 0.000 0.481 73 E N 0.025 120.285 120.200 0.100 0.000 2.338 73 E HA -0.027 4.323 4.350 -0.000 0.000 0.197 73 E C 1.395 178.253 176.600 0.429 0.000 1.007 73 E CA 0.466 56.997 56.400 0.219 0.000 0.849 73 E CB -0.251 29.592 29.700 0.238 0.000 0.774 73 E HN 0.653 nan 8.360 nan 0.000 0.506 74 W N 0.202 121.529 121.300 0.044 0.000 2.443 74 W HA 0.089 4.749 4.660 -0.000 0.000 0.296 74 W C 1.925 178.481 176.519 0.061 0.000 1.202 74 W CA 0.643 58.018 57.345 0.050 0.000 1.312 74 W CB 0.040 29.447 29.460 -0.088 0.000 1.120 74 W HN 0.036 nan 8.180 nan 0.000 0.536 75 E N -2.688 117.648 120.200 0.227 0.000 3.730 75 E HA 0.340 4.690 4.350 -0.000 0.000 0.233 75 E C 0.492 177.074 176.600 -0.030 0.000 1.281 75 E CA 1.560 58.018 56.400 0.096 0.000 1.519 75 E CB 0.191 29.999 29.700 0.181 0.000 2.292 75 E HN -0.088 nan 8.360 nan 0.000 0.655 76 G N 0.725 109.481 108.800 -0.074 0.000 2.663 76 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 76 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 76 G C 0.279 175.028 174.900 -0.251 0.000 1.246 76 G CA -0.180 44.846 45.100 -0.122 0.000 0.795 76 G HN 0.077 nan 8.290 nan 0.000 0.627 77 F N 1.448 121.389 119.950 -0.014 0.000 2.134 77 F HA 0.095 4.622 4.527 -0.000 0.000 0.299 77 F C 3.109 178.822 175.800 -0.144 0.000 1.097 77 F CA 2.863 60.845 58.000 -0.030 0.000 1.264 77 F CB -0.687 38.372 39.000 0.100 0.000 1.001 77 F HN 0.781 nan 8.300 nan 0.000 0.479 78 A N 0.080 122.956 122.820 0.093 0.000 1.845 78 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 78 A C 2.388 179.933 177.584 -0.066 0.000 1.195 78 A CA 2.546 54.600 52.037 0.029 0.000 0.616 78 A CB -1.354 17.671 19.000 0.042 0.000 0.832 78 A HN 0.402 nan 8.150 nan 0.000 0.443 79 S N -0.643 114.994 115.700 -0.104 0.000 2.406 79 S HA 0.086 4.556 4.470 -0.000 0.000 0.228 79 S C 1.987 176.438 174.600 -0.248 0.000 1.020 79 S CA 1.215 59.350 58.200 -0.107 0.000 0.965 79 S CB -0.935 62.230 63.200 -0.058 0.000 0.798 79 S HN 0.695 nan 8.310 nan 0.000 0.488 80 G N 2.215 110.663 108.800 -0.587 0.000 2.414 80 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 80 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 80 G C 1.786 176.169 174.900 -0.861 0.000 1.188 80 G CA 1.210 45.530 45.100 -1.299 0.000 0.783 80 G HN 0.771 nan 8.290 nan 0.000 0.537 81 S N 0.173 115.544 115.700 -0.549 0.000 2.423 81 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 81 S C 2.068 176.585 174.600 -0.138 0.000 1.014 81 S CA 1.620 59.722 58.200 -0.164 0.000 0.965 81 S CB -0.155 63.106 63.200 0.102 0.000 0.785 81 S HN 0.403 nan 8.310 nan 0.000 0.495 82 K N 1.175 121.464 120.400 -0.185 0.000 2.097 82 K HA 0.029 4.349 4.320 -0.000 0.000 0.205 82 K C 2.237 178.599 176.600 -0.397 0.000 1.050 82 K CA 1.332 57.465 56.287 -0.257 0.000 0.938 82 K CB -0.242 32.145 32.500 -0.189 0.000 0.718 82 K HN 0.421 nan 8.250 nan 0.000 0.442 83 S N 1.184 116.735 115.700 -0.249 0.000 2.383 83 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 83 S C 1.817 176.289 174.600 -0.213 0.000 1.026 83 S CA 0.940 59.021 58.200 -0.198 0.000 0.981 83 S CB -0.191 62.994 63.200 -0.025 0.000 0.818 83 S HN 0.222 nan 8.310 nan 0.000 0.472 84 L N 1.258 122.387 121.223 -0.157 0.000 2.046 84 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 84 L C 2.856 179.618 176.870 -0.181 0.000 1.077 84 L CA 1.222 56.002 54.840 -0.099 0.000 0.747 84 L CB -0.766 41.299 42.059 0.009 0.000 0.896 84 L HN 0.333 nan 8.230 nan 0.000 0.432 85 A N 0.132 122.806 122.820 -0.245 0.000 1.908 85 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 85 A C 2.379 179.550 177.584 -0.688 0.000 1.181 85 A CA 1.802 53.650 52.037 -0.314 0.000 0.627 85 A CB -0.723 18.132 19.000 -0.240 0.000 0.818 85 A HN 0.413 nan 8.150 nan 0.000 0.445 86 A N -1.196 121.017 122.820 -1.012 0.000 2.239 86 A HA 0.334 4.654 4.320 -0.000 0.000 0.209 86 A C 1.737 178.973 177.584 -0.580 0.000 1.171 86 A CA 1.282 52.506 52.037 -1.355 0.000 0.768 86 A CB -0.617 17.779 19.000 -1.005 0.000 0.790 86 A HN 0.838 nan 8.150 nan 0.000 0.478 87 G N -2.434 106.143 108.800 -0.371 0.000 3.377 87 G HA2 0.408 4.368 3.960 -0.000 0.000 0.257 87 G HA3 0.408 4.368 3.960 -0.000 0.000 0.257 87 G C 0.947 175.746 174.900 -0.169 0.000 1.038 87 G CA 0.372 45.345 45.100 -0.212 0.000 0.809 87 G HN 1.426 nan 8.290 nan 0.000 0.526 88 G N -0.552 108.147 108.800 -0.169 0.000 2.143 88 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.248 88 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.248 88 G C 0.094 174.962 174.900 -0.053 0.000 0.991 88 G CA 0.213 45.258 45.100 -0.093 0.000 0.689 88 G HN 0.854 nan 8.290 nan 0.000 0.522 89 V N 1.061 120.940 119.914 -0.059 0.000 2.394 89 V HA 0.635 4.755 4.120 -0.000 0.000 0.282 89 V C 1.310 177.412 176.094 0.013 0.000 1.031 89 V CA 0.509 62.802 62.300 -0.012 0.000 0.881 89 V CB 1.383 33.209 31.823 0.006 0.000 0.982 89 V HN 0.677 nan 8.190 nan 0.000 0.451 90 T N -0.481 114.082 114.554 0.015 0.000 3.010 90 T HA 0.183 4.533 4.350 -0.000 0.000 0.257 90 T C 0.559 175.272 174.700 0.022 0.000 1.020 90 T CA 0.003 62.109 62.100 0.010 0.000 0.938 90 T CB 0.351 69.193 68.868 -0.043 0.000 1.049 90 T HN 0.557 nan 8.240 nan 0.000 0.522 91 T N 2.256 116.824 114.554 0.022 0.000 2.916 91 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 91 T C -1.745 172.966 174.700 0.019 0.000 1.031 91 T CA -0.800 61.284 62.100 -0.027 0.000 0.993 91 T CB 1.560 70.373 68.868 -0.092 0.000 1.045 91 T HN 0.442 nan 8.240 nan 0.000 0.454 92 Y N 0.453 120.739 120.300 -0.023 0.000 2.545 92 Y HA 0.873 5.422 4.550 -0.000 0.000 0.348 92 Y C -1.754 174.188 175.900 0.070 0.000 1.002 92 Y CA -1.961 56.097 58.100 -0.070 0.000 1.039 92 Y CB 0.997 39.457 38.460 -0.001 0.000 1.271 92 Y HN 0.350 nan 8.280 nan 0.000 0.467 93 F N 1.809 121.728 119.950 -0.052 0.000 2.411 93 F HA 0.326 4.853 4.527 -0.000 0.000 0.352 93 F C -0.148 175.714 175.800 0.104 0.000 1.123 93 F CA -1.543 56.359 58.000 -0.163 0.000 1.044 93 F CB 1.214 40.007 39.000 -0.346 0.000 1.135 93 F HN 0.620 nan 8.300 nan 0.000 0.461 94 D N 3.036 123.622 120.400 0.310 0.000 2.264 94 D HA 0.255 4.895 4.640 -0.000 0.000 0.250 94 D C -0.010 176.540 176.300 0.416 0.000 1.113 94 D CA -0.301 53.892 54.000 0.322 0.000 0.871 94 D CB 0.851 41.931 40.800 0.466 0.000 1.167 94 D HN 0.203 nan 8.370 nan 0.000 0.447 95 M N 4.430 124.150 119.600 0.199 0.000 2.228 95 M HA 0.189 4.669 4.480 -0.000 0.000 0.326 95 M C -1.565 174.855 176.300 0.201 0.000 1.122 95 M CA -1.883 53.485 55.300 0.113 0.000 1.161 95 M CB 0.915 33.383 32.600 -0.219 0.000 1.437 95 M HN 0.353 nan 8.290 nan 0.000 0.465 96 P HA 0.102 nan 4.420 nan 0.000 0.245 96 P C -0.492 176.879 177.300 0.118 0.000 1.212 96 P CA 0.515 63.739 63.100 0.207 0.000 0.774 96 P CB -0.179 31.712 31.700 0.319 0.000 0.999 97 L N -4.626 116.618 121.223 0.036 0.000 2.283 97 L HA 0.519 4.859 4.340 -0.000 0.000 0.259 97 L C 0.531 177.422 176.870 0.035 0.000 1.027 97 L CA -0.763 54.035 54.840 -0.069 0.000 0.828 97 L CB 0.959 42.698 42.059 -0.533 0.000 1.380 97 L HN -0.283 nan 8.230 nan 0.000 0.425 98 N N -1.187 117.482 118.700 -0.053 0.000 2.624 98 N HA -0.304 4.436 4.740 -0.000 0.000 0.222 98 N C 0.394 175.753 175.510 -0.251 0.000 0.908 98 N CA 1.515 54.459 53.050 -0.176 0.000 1.919 98 N CB -0.978 37.414 38.487 -0.158 0.000 0.893 98 N HN 0.936 nan 8.380 nan 0.000 0.549 99 S N 1.283 116.920 115.700 -0.104 0.000 2.673 99 S HA -0.055 4.415 4.470 -0.000 0.000 0.308 99 S C -0.111 174.458 174.600 -0.053 0.000 1.246 99 S CA 0.025 58.186 58.200 -0.065 0.000 1.077 99 S CB 0.105 63.328 63.200 0.038 0.000 0.814 99 S HN 0.344 nan 8.310 nan 0.000 0.503 100 N N 5.198 123.849 118.700 -0.081 0.000 2.346 100 N HA 0.412 5.152 4.740 -0.000 0.000 0.289 100 N C -2.848 172.642 175.510 -0.033 0.000 1.027 100 N CA -1.991 51.023 53.050 -0.060 0.000 0.864 100 N CB 1.582 40.001 38.487 -0.113 0.000 1.370 100 N HN 0.437 nan 8.380 nan 0.000 0.481 101 P HA 0.171 nan 4.420 nan 0.000 0.269 101 P C -2.663 174.660 177.300 0.039 0.000 1.215 101 P CA -0.750 62.355 63.100 0.007 0.000 0.780 101 P CB -0.097 31.602 31.700 -0.002 0.000 0.898 102 P HA -0.001 nan 4.420 nan 0.000 0.270 102 P C -0.152 177.233 177.300 0.142 0.000 1.223 102 P CA 0.185 63.391 63.100 0.177 0.000 0.785 102 P CB -0.103 31.813 31.700 0.360 0.000 0.923 103 T N 1.655 116.317 114.554 0.181 0.000 4.475 103 T HA 0.201 4.551 4.350 -0.000 0.000 0.254 103 T C 1.194 175.990 174.700 0.160 0.000 1.160 103 T CA 0.028 62.208 62.100 0.133 0.000 1.091 103 T CB -1.391 67.559 68.868 0.137 0.000 1.377 103 T HN 0.422 nan 8.240 nan 0.000 1.057 104 I N -1.385 119.241 120.570 0.093 0.000 4.154 104 I HA 0.305 4.475 4.170 -0.000 0.000 0.334 104 I C 0.597 176.686 176.117 -0.047 0.000 1.371 104 I CA -0.591 60.745 61.300 0.060 0.000 1.110 104 I CB 0.439 38.432 38.000 -0.011 0.000 1.085 104 I HN 0.295 nan 8.210 nan 0.000 0.398 105 T N -2.416 112.109 114.554 -0.048 0.000 2.883 105 T HA 0.433 4.783 4.350 -0.000 0.000 0.296 105 T C 0.503 175.236 174.700 0.055 0.000 1.117 105 T CA -0.682 61.394 62.100 -0.042 0.000 1.006 105 T CB 2.735 71.517 68.868 -0.143 0.000 1.191 105 T HN 0.090 nan 8.240 nan 0.000 0.508 106 R N 0.654 121.220 120.500 0.111 0.000 2.120 106 R HA -0.046 4.294 4.340 -0.000 0.000 0.234 106 R C 2.082 178.394 176.300 0.020 0.000 1.123 106 R CA 2.203 58.342 56.100 0.066 0.000 0.975 106 R CB -0.725 29.625 30.300 0.084 0.000 0.866 106 R HN 0.888 nan 8.270 nan 0.000 0.446 107 E N -0.132 120.084 120.200 0.027 0.000 2.077 107 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 107 E C 1.325 177.913 176.600 -0.019 0.000 0.989 107 E CA 1.486 57.889 56.400 0.005 0.000 0.800 107 E CB -0.004 29.705 29.700 0.014 0.000 0.746 107 E HN 0.310 nan 8.360 nan 0.000 0.452 108 E N 0.145 120.333 120.200 -0.020 0.000 2.274 108 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 108 E C 1.730 178.288 176.600 -0.071 0.000 0.996 108 E CA 0.291 56.674 56.400 -0.029 0.000 0.840 108 E CB -0.052 29.642 29.700 -0.010 0.000 0.772 108 E HN 0.227 nan 8.360 nan 0.000 0.491 109 L N 0.597 121.765 121.223 -0.091 0.000 2.044 109 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 109 L C 1.269 177.987 176.870 -0.255 0.000 1.075 109 L CA 1.794 56.511 54.840 -0.205 0.000 0.747 109 L CB -0.409 41.566 42.059 -0.141 0.000 0.903 109 L HN -0.024 nan 8.230 nan 0.000 0.435 110 D N 0.134 120.452 120.400 -0.136 0.000 2.116 110 D HA -0.221 4.419 4.640 -0.000 0.000 0.193 110 D C 2.155 178.385 176.300 -0.117 0.000 0.998 110 D CA 1.609 55.544 54.000 -0.107 0.000 0.836 110 D CB -0.100 40.669 40.800 -0.051 0.000 0.951 110 D HN 0.374 nan 8.370 nan 0.000 0.449 111 K N 0.380 120.725 120.400 -0.091 0.000 2.063 111 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 111 K C 2.105 178.657 176.600 -0.079 0.000 1.048 111 K CA 0.929 57.178 56.287 -0.064 0.000 0.928 111 K CB -0.014 32.467 32.500 -0.030 0.000 0.713 111 K HN 0.034 nan 8.250 nan 0.000 0.442 112 K N 1.096 121.414 120.400 -0.137 0.000 2.103 112 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 112 K C 2.225 178.656 176.600 -0.281 0.000 1.052 112 K CA 1.108 57.331 56.287 -0.107 0.000 0.945 112 K CB 0.056 32.461 32.500 -0.158 0.000 0.722 112 K HN -0.064 nan 8.250 nan 0.000 0.443 113 R N 1.119 121.362 120.500 -0.429 0.000 2.091 113 R HA -0.152 4.188 4.340 -0.000 0.000 0.238 113 R C 2.055 178.254 176.300 -0.169 0.000 1.136 113 R CA 1.985 57.940 56.100 -0.242 0.000 0.959 113 R CB -0.252 29.949 30.300 -0.165 0.000 0.856 113 R HN 0.303 nan 8.270 nan 0.000 0.437 114 Q N 0.203 119.920 119.800 -0.139 0.000 2.119 114 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 114 Q C 2.333 178.248 176.000 -0.142 0.000 0.972 114 Q CA 1.464 57.206 55.803 -0.101 0.000 0.847 114 Q CB -0.148 28.556 28.738 -0.057 0.000 0.903 114 Q HN 0.398 nan 8.270 nan 0.000 0.433 115 L N 0.547 121.670 121.223 -0.166 0.000 2.093 115 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 115 L C 2.544 179.120 176.870 -0.489 0.000 1.085 115 L CA 0.928 55.669 54.840 -0.166 0.000 0.755 115 L CB -0.541 41.544 42.059 0.043 0.000 0.904 115 L HN 0.179 nan 8.230 nan 0.000 0.435 116 A N 0.382 122.645 122.820 -0.928 0.000 1.855 116 A HA -0.250 4.070 4.320 -0.000 0.000 0.215 116 A C 2.076 179.226 177.584 -0.724 0.000 1.191 116 A CA 1.969 53.229 52.037 -1.296 0.000 0.613 116 A CB -0.760 17.318 19.000 -1.537 0.000 0.829 116 A HN 0.458 nan 8.150 nan 0.000 0.442 117 N N -0.010 118.420 118.700 -0.449 0.000 2.192 117 N HA -0.215 4.525 4.740 -0.000 0.000 0.188 117 N C 1.669 177.153 175.510 -0.043 0.000 1.013 117 N CA 2.033 55.040 53.050 -0.072 0.000 0.863 117 N CB -0.279 38.225 38.487 0.028 0.000 0.990 117 N HN 0.668 nan 8.380 nan 0.000 0.430 118 E N -0.889 119.257 120.200 -0.090 0.000 2.158 118 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 118 E C 0.948 177.540 176.600 -0.014 0.000 0.982 118 E CA 0.860 57.239 56.400 -0.035 0.000 0.823 118 E CB 0.182 29.864 29.700 -0.030 0.000 0.766 118 E HN 0.268 nan 8.360 nan 0.000 0.468 119 K N -0.595 119.782 120.400 -0.040 0.000 2.464 119 K HA 0.172 4.492 4.320 -0.000 0.000 0.206 119 K C 0.063 176.711 176.600 0.080 0.000 1.186 119 K CA -0.107 56.200 56.287 0.033 0.000 0.990 119 K CB 1.276 33.828 32.500 0.087 0.000 1.003 119 K HN -0.175 nan 8.250 nan 0.000 0.562 120 S N 1.247 116.985 115.700 0.064 0.000 2.481 120 S HA 0.096 4.566 4.470 -0.000 0.000 0.276 120 S C 0.908 175.626 174.600 0.196 0.000 1.247 120 S CA -0.438 57.889 58.200 0.211 0.000 1.053 120 S CB 0.410 63.789 63.200 0.299 0.000 0.925 120 S HN 0.205 nan 8.310 nan 0.000 0.491 121 L N 7.373 128.699 121.223 0.171 0.000 2.109 121 L HA 0.152 4.492 4.340 -0.000 0.000 0.207 121 L C 0.746 177.696 176.870 0.133 0.000 1.086 121 L CA 1.581 56.490 54.840 0.115 0.000 0.760 121 L CB -0.276 41.817 42.059 0.057 0.000 0.910 121 L HN 0.674 nan 8.230 nan 0.000 0.437 122 V N -3.948 116.094 119.914 0.213 0.000 3.234 122 V HA 0.483 4.603 4.120 -0.000 0.000 0.317 122 V C -0.077 176.136 176.094 0.198 0.000 1.147 122 V CA -1.241 61.168 62.300 0.182 0.000 1.037 122 V CB 1.025 32.959 31.823 0.186 0.000 1.148 122 V HN 0.000 nan 8.190 nan 0.000 0.455 123 D N 0.051 120.469 120.400 0.029 0.000 2.357 123 D HA 0.409 5.049 4.640 -0.000 0.000 0.242 123 D C -0.892 175.216 176.300 -0.320 0.000 1.153 123 D CA 0.491 54.380 54.000 -0.185 0.000 0.918 123 D CB 0.663 41.322 40.800 -0.235 0.000 1.181 123 D HN 0.768 nan 8.370 nan 0.000 0.435 124 Y N -0.862 119.146 120.300 -0.486 0.000 2.544 124 Y HA 0.700 5.250 4.550 -0.000 0.000 0.342 124 Y C -0.581 174.897 175.900 -0.702 0.000 1.062 124 Y CA -1.163 56.409 58.100 -0.880 0.000 1.023 124 Y CB 1.146 39.039 38.460 -0.946 0.000 1.308 124 Y HN 0.065 nan 8.280 nan 0.000 0.457 125 R N 1.445 121.585 120.500 -0.601 0.000 2.869 125 R HA 0.632 4.972 4.340 -0.000 0.000 0.263 125 R C -1.951 173.801 176.300 -0.914 0.000 1.066 125 R CA -1.344 54.317 56.100 -0.731 0.000 0.960 125 R CB 2.013 31.845 30.300 -0.780 0.000 1.221 125 R HN 0.807 nan 8.270 nan 0.000 0.474 126 F N -0.609 119.162 119.950 -0.298 0.000 2.551 126 F HA 0.443 4.970 4.527 -0.000 0.000 0.316 126 F C -0.508 175.094 175.800 -0.330 0.000 1.089 126 F CA -0.746 57.155 58.000 -0.166 0.000 0.915 126 F CB 1.510 40.490 39.000 -0.033 0.000 1.186 126 F HN 0.265 nan 8.300 nan 0.000 0.456 127 W N 1.527 122.846 121.300 0.032 0.000 2.338 127 W HA 0.592 5.252 4.660 -0.000 0.000 0.307 127 W C 0.520 177.036 176.519 -0.005 0.000 1.167 127 W CA -0.587 56.721 57.345 -0.062 0.000 1.208 127 W CB 1.208 30.653 29.460 -0.024 0.000 1.228 127 W HN 0.636 nan 8.180 nan 0.000 0.499 128 G N 1.417 110.260 108.800 0.072 0.000 2.507 128 G HA2 0.500 4.460 3.960 -0.000 0.000 0.271 128 G HA3 0.500 4.460 3.960 -0.000 0.000 0.271 128 G C -0.150 174.973 174.900 0.371 0.000 1.189 128 G CA -0.669 44.504 45.100 0.122 0.000 0.859 128 G HN 0.655 nan 8.290 nan 0.000 0.542 129 G N -0.874 108.191 108.800 0.442 0.000 2.400 129 G HA2 0.489 4.449 3.960 -0.000 0.000 0.301 129 G HA3 0.489 4.449 3.960 -0.000 0.000 0.301 129 G C -0.974 174.212 174.900 0.477 0.000 1.154 129 G CA -0.465 44.973 45.100 0.564 0.000 0.852 129 G HN 0.638 nan 8.290 nan 0.000 0.511 130 L N 3.146 124.630 121.223 0.435 0.000 2.280 130 L HA 0.696 5.036 4.340 -0.000 0.000 0.287 130 L C -0.041 176.862 176.870 0.054 0.000 1.023 130 L CA -0.776 54.200 54.840 0.226 0.000 0.819 130 L CB 1.357 43.545 42.059 0.216 0.000 1.212 130 L HN 0.525 nan 8.230 nan 0.000 0.420 131 V N 2.978 122.847 119.914 -0.075 0.000 3.078 131 V HA 0.767 4.887 4.120 -0.000 0.000 0.311 131 V C -2.683 173.342 176.094 -0.116 0.000 1.138 131 V CA -2.469 59.706 62.300 -0.208 0.000 1.007 131 V CB 1.620 33.189 31.823 -0.423 0.000 1.045 131 V HN 0.617 nan 8.190 nan 0.000 0.432 132 P HA 0.352 nan 4.420 nan 0.000 0.263 132 P C 0.975 178.235 177.300 -0.067 0.000 1.195 132 P CA 1.963 65.014 63.100 -0.081 0.000 0.762 132 P CB 0.632 32.278 31.700 -0.089 0.000 0.799 133 G N 3.580 112.360 108.800 -0.034 0.000 2.284 133 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 133 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 133 G C 0.790 175.714 174.900 0.040 0.000 1.009 133 G CA 0.184 45.279 45.100 -0.008 0.000 0.625 133 G HN 0.639 nan 8.290 nan 0.000 0.501 134 N N 1.589 120.311 118.700 0.037 0.000 2.276 134 N HA 0.136 4.876 4.740 -0.000 0.000 0.212 134 N C 1.860 177.462 175.510 0.153 0.000 1.127 134 N CA 0.292 53.423 53.050 0.135 0.000 0.834 134 N CB -0.230 38.275 38.487 0.031 0.000 1.014 134 N HN 0.377 nan 8.380 nan 0.000 0.491 135 I N 0.797 121.405 120.570 0.064 0.000 2.423 135 I HA -0.210 3.960 4.170 -0.000 0.000 0.254 135 I C 0.422 176.543 176.117 0.007 0.000 1.151 135 I CA 1.158 62.463 61.300 0.009 0.000 1.421 135 I CB -0.963 37.023 38.000 -0.024 0.000 1.079 135 I HN 0.042 nan 8.210 nan 0.000 0.431 136 D N -0.573 119.834 120.400 0.012 0.000 2.355 136 D HA -0.072 4.568 4.640 -0.000 0.000 0.218 136 D C 1.697 177.906 176.300 -0.152 0.000 1.004 136 D CA 0.657 54.605 54.000 -0.085 0.000 0.880 136 D CB -0.198 40.517 40.800 -0.142 0.000 0.911 136 D HN 0.451 nan 8.370 nan 0.000 0.528 137 H N -0.740 118.351 119.070 0.034 0.000 2.575 137 H HA 0.269 4.825 4.556 -0.000 0.000 0.267 137 H C 1.721 177.126 175.328 0.129 0.000 0.966 137 H CA 0.079 56.171 56.048 0.072 0.000 1.165 137 H CB 0.355 30.163 29.762 0.077 0.000 1.433 137 H HN 0.042 nan 8.280 nan 0.000 0.544 138 L N 0.061 121.398 121.223 0.190 0.000 2.017 138 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 138 L C 2.497 179.529 176.870 0.271 0.000 1.073 138 L CA 1.411 56.367 54.840 0.194 0.000 0.745 138 L CB -0.392 41.546 42.059 -0.201 0.000 0.894 138 L HN 0.264 nan 8.230 nan 0.000 0.432 139 Q N 0.671 120.549 119.800 0.130 0.000 2.077 139 Q HA -0.288 4.052 4.340 -0.000 0.000 0.206 139 Q C 1.806 177.921 176.000 0.192 0.000 0.989 139 Q CA 2.248 58.133 55.803 0.136 0.000 0.853 139 Q CB -0.313 28.455 28.738 0.050 0.000 0.907 139 Q HN 0.358 nan 8.270 nan 0.000 0.418 140 D N -0.850 119.645 120.400 0.158 0.000 2.144 140 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 140 D C 1.778 178.182 176.300 0.173 0.000 0.978 140 D CA 0.913 54.998 54.000 0.142 0.000 0.833 140 D CB -0.085 40.787 40.800 0.120 0.000 0.961 140 D HN 0.383 nan 8.370 nan 0.000 0.470 141 L N -0.363 121.011 121.223 0.251 0.000 2.109 141 L HA -0.122 4.217 4.340 -0.000 0.000 0.207 141 L C 2.586 179.554 176.870 0.163 0.000 1.086 141 L CA 0.927 55.898 54.840 0.217 0.000 0.760 141 L CB -0.485 41.768 42.059 0.325 0.000 0.910 141 L HN 0.248 nan 8.230 nan 0.000 0.437 142 H N 0.220 119.417 119.070 0.212 0.000 2.389 142 H HA -0.164 4.391 4.556 -0.000 0.000 0.299 142 H C 1.327 176.694 175.328 0.065 0.000 1.081 142 H CA 1.666 57.802 56.048 0.146 0.000 1.345 142 H CB 0.303 30.231 29.762 0.277 0.000 1.393 142 H HN 0.343 nan 8.280 nan 0.000 0.520 143 D N -0.340 120.129 120.400 0.115 0.000 2.224 143 D HA -0.046 4.594 4.640 -0.000 0.000 0.205 143 D C 2.121 178.410 176.300 -0.018 0.000 0.965 143 D CA 0.945 54.968 54.000 0.039 0.000 0.852 143 D CB -0.533 40.319 40.800 0.086 0.000 0.947 143 D HN 0.505 nan 8.370 nan 0.000 0.494 144 G N -0.456 108.340 108.800 -0.006 0.000 2.848 144 G HA2 0.218 4.178 3.960 -0.000 0.000 0.208 144 G HA3 0.218 4.178 3.960 -0.000 0.000 0.208 144 G C 1.168 176.038 174.900 -0.051 0.000 1.152 144 G CA 0.520 45.608 45.100 -0.020 0.000 0.789 144 G HN 0.434 nan 8.290 nan 0.000 0.531 145 G N -1.000 107.729 108.800 -0.119 0.000 2.148 145 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.203 145 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.203 145 G C 0.407 175.186 174.900 -0.202 0.000 0.993 145 G CA 0.186 45.189 45.100 -0.162 0.000 0.661 145 G HN 1.405 nan 8.290 nan 0.000 0.518 146 V N -0.031 119.748 119.914 -0.226 0.000 2.763 146 V HA 0.511 4.631 4.120 -0.000 0.000 0.306 146 V C 1.721 177.559 176.094 -0.426 0.000 1.059 146 V CA 0.386 62.498 62.300 -0.313 0.000 1.138 146 V CB 0.662 32.258 31.823 -0.378 0.000 0.940 146 V HN 0.875 nan 8.190 nan 0.000 0.489 147 I N 1.512 121.723 120.570 -0.599 0.000 3.684 147 I HA 0.737 4.907 4.170 -0.000 0.000 0.304 147 I C 0.949 176.782 176.117 -0.474 0.000 1.278 147 I CA 0.677 61.599 61.300 -0.629 0.000 1.272 147 I CB -0.971 36.358 38.000 -1.118 0.000 1.029 147 I HN 1.150 nan 8.210 nan 0.000 0.458 148 G N -0.274 108.233 108.800 -0.487 0.000 2.315 148 G HA2 0.449 4.409 3.960 -0.000 0.000 0.294 148 G HA3 0.449 4.409 3.960 -0.000 0.000 0.294 148 G C -1.798 173.080 174.900 -0.036 0.000 1.300 148 G CA -0.937 44.100 45.100 -0.104 0.000 0.843 148 G HN -0.029 nan 8.290 nan 0.000 0.527 149 F N 0.322 120.614 119.950 0.571 0.000 2.551 149 F HA 0.730 5.257 4.527 -0.000 0.000 0.316 149 F C 0.321 176.391 175.800 0.451 0.000 1.089 149 F CA -0.867 57.424 58.000 0.484 0.000 0.915 149 F CB 2.793 41.979 39.000 0.310 0.000 1.186 149 F HN 0.225 nan 8.300 nan 0.000 0.456 150 K N 2.019 122.718 120.400 0.498 0.000 2.292 150 K HA 0.861 5.181 4.320 -0.000 0.000 0.257 150 K C -1.388 175.454 176.600 0.403 0.000 0.940 150 K CA -0.461 55.962 56.287 0.227 0.000 0.811 150 K CB 1.898 34.351 32.500 -0.078 0.000 1.120 150 K HN 0.806 nan 8.250 nan 0.000 0.428 151 A N 3.673 126.671 122.820 0.296 0.000 2.413 151 A HA 0.745 5.065 4.320 -0.000 0.000 0.307 151 A C -1.503 176.290 177.584 0.348 0.000 1.087 151 A CA -0.644 51.632 52.037 0.399 0.000 0.750 151 A CB 0.685 19.852 19.000 0.278 0.000 1.296 151 A HN 0.565 nan 8.150 nan 0.000 0.423 152 F N 1.096 121.279 119.950 0.387 0.000 2.436 152 F HA 0.456 4.983 4.527 -0.000 0.000 0.340 152 F C 1.242 177.247 175.800 0.341 0.000 1.113 152 F CA -0.369 57.838 58.000 0.344 0.000 1.022 152 F CB 2.083 41.297 39.000 0.357 0.000 1.128 152 F HN 0.575 nan 8.300 nan 0.000 0.466 153 M N 0.658 120.482 119.600 0.373 0.000 2.441 153 M HA 0.159 4.639 4.480 -0.000 0.000 0.244 153 M C -0.010 176.403 176.300 0.188 0.000 1.122 153 M CA 0.485 55.975 55.300 0.316 0.000 1.041 153 M CB 0.253 32.963 32.600 0.183 0.000 1.438 153 M HN 0.353 nan 8.290 nan 0.000 0.484 154 S N 0.018 115.817 115.700 0.166 0.000 2.599 154 S HA 0.333 4.803 4.470 -0.000 0.000 0.294 154 S C -0.607 173.892 174.600 -0.168 0.000 1.094 154 S CA -0.852 57.252 58.200 -0.160 0.000 0.931 154 S CB 1.912 65.124 63.200 0.021 0.000 1.093 154 S HN 0.185 nan 8.310 nan 0.000 0.488 155 E N 0.769 120.693 120.200 -0.461 0.000 2.502 155 E HA -0.050 4.300 4.350 -0.000 0.000 0.261 155 E C 0.772 177.310 176.600 -0.104 0.000 0.974 155 E CA 0.041 56.330 56.400 -0.186 0.000 0.936 155 E CB 0.118 29.718 29.700 -0.166 0.000 0.926 155 E HN 0.750 nan 8.360 nan 0.000 0.459 156 C N 1.225 120.433 119.300 -0.154 0.000 2.926 156 C HA 0.451 4.911 4.460 -0.000 0.000 0.272 156 C C 1.497 176.400 174.990 -0.144 0.000 1.249 156 C CA -0.001 58.837 59.018 -0.301 0.000 1.691 156 C CB -1.072 26.163 27.740 -0.841 0.000 1.983 156 C HN 0.961 nan 8.230 nan 0.000 0.615 157 G N 1.612 110.383 108.800 -0.048 0.000 2.148 157 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.254 157 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.254 157 G C 0.037 175.015 174.900 0.129 0.000 0.981 157 G CA 0.818 45.936 45.100 0.030 0.000 0.670 157 G HN 1.367 nan 8.290 nan 0.000 0.528 158 T N -2.514 112.101 114.554 0.101 0.000 2.840 158 T HA 0.585 4.935 4.350 -0.000 0.000 0.287 158 T C 0.326 175.077 174.700 0.084 0.000 0.991 158 T CA -0.068 62.107 62.100 0.125 0.000 0.964 158 T CB 1.992 70.944 68.868 0.140 0.000 0.954 158 T HN -0.130 nan 8.240 nan 0.000 0.438 159 D N 2.026 122.471 120.400 0.076 0.000 2.350 159 D HA -0.040 4.600 4.640 -0.000 0.000 0.216 159 D C 1.324 177.655 176.300 0.052 0.000 0.968 159 D CA 0.991 55.028 54.000 0.063 0.000 0.894 159 D CB 0.012 40.843 40.800 0.052 0.000 0.909 159 D HN 0.832 nan 8.370 nan 0.000 0.520 160 D N -0.964 119.472 120.400 0.059 0.000 2.333 160 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 160 D C 0.059 176.413 176.300 0.090 0.000 0.984 160 D CA -0.079 53.953 54.000 0.053 0.000 0.873 160 D CB -0.403 40.422 40.800 0.042 0.000 0.935 160 D HN 0.121 nan 8.370 nan 0.000 0.521 161 F N 2.047 121.971 119.950 -0.044 0.000 2.311 161 F HA 0.276 4.803 4.527 -0.000 0.000 0.371 161 F C -0.122 175.649 175.800 -0.048 0.000 1.083 161 F CA -0.954 57.012 58.000 -0.057 0.000 1.113 161 F CB 0.744 39.672 39.000 -0.120 0.000 1.349 161 F HN -0.290 nan 8.300 nan 0.000 0.470 162 Q N 5.553 125.231 119.800 -0.204 0.000 2.297 162 Q HA 0.089 4.429 4.340 -0.000 0.000 0.267 162 Q C -0.262 175.692 176.000 -0.078 0.000 1.006 162 Q CA -0.294 55.447 55.803 -0.103 0.000 0.896 162 Q CB 0.896 29.540 28.738 -0.158 0.000 1.186 162 Q HN 0.635 nan 8.270 nan 0.000 0.392 163 F N 0.360 120.307 119.950 -0.006 0.000 2.506 163 F HA 0.220 4.747 4.527 -0.000 0.000 0.351 163 F C 0.027 175.818 175.800 -0.016 0.000 1.136 163 F CA -0.615 57.434 58.000 0.082 0.000 1.298 163 F CB 0.492 39.549 39.000 0.095 0.000 1.145 163 F HN 0.143 nan 8.300 nan 0.000 0.593 164 S N 3.814 119.510 115.700 -0.006 0.000 2.489 164 S HA 0.180 4.650 4.470 -0.000 0.000 0.277 164 S C -0.102 174.424 174.600 -0.124 0.000 1.230 164 S CA -0.552 57.584 58.200 -0.106 0.000 1.053 164 S CB -0.105 63.139 63.200 0.075 0.000 0.955 164 S HN 0.594 nan 8.310 nan 0.000 0.488 165 H N 2.002 120.972 119.070 -0.166 0.000 2.598 165 H HA 0.086 4.642 4.556 -0.000 0.000 0.371 165 H C 0.725 176.105 175.328 0.086 0.000 1.468 165 H CA -0.276 55.769 56.048 -0.005 0.000 1.454 165 H CB 0.536 30.255 29.762 -0.072 0.000 1.579 165 H HN 0.576 nan 8.280 nan 0.000 0.611 166 D N 0.537 121.111 120.400 0.291 0.000 2.123 166 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 166 D C 1.796 178.087 176.300 -0.014 0.000 0.992 166 D CA 1.114 55.248 54.000 0.224 0.000 0.833 166 D CB -0.136 40.840 40.800 0.293 0.000 0.954 166 D HN 0.621 nan 8.370 nan 0.000 0.455 167 E N -0.119 120.083 120.200 0.003 0.000 2.110 167 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 167 E C 1.635 178.202 176.600 -0.055 0.000 0.988 167 E CA 1.214 57.580 56.400 -0.057 0.000 0.804 167 E CB 0.181 29.855 29.700 -0.043 0.000 0.745 167 E HN 0.185 nan 8.360 nan 0.000 0.458 168 T N 1.388 115.936 114.554 -0.010 0.000 2.812 168 T HA -0.086 4.264 4.350 -0.000 0.000 0.264 168 T C 1.955 176.648 174.700 -0.012 0.000 1.042 168 T CA 0.696 62.787 62.100 -0.014 0.000 1.140 168 T CB -0.161 68.705 68.868 -0.003 0.000 0.870 168 T HN 0.132 nan 8.240 nan 0.000 0.445 169 L N 0.393 121.629 121.223 0.021 0.000 2.012 169 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 169 L C 2.490 179.330 176.870 -0.050 0.000 1.073 169 L CA 1.407 56.279 54.840 0.054 0.000 0.748 169 L CB -0.542 41.640 42.059 0.204 0.000 0.891 169 L HN 0.265 nan 8.230 nan 0.000 0.431 170 L N -0.879 120.223 121.223 -0.202 0.000 2.056 170 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 170 L C 2.722 179.508 176.870 -0.140 0.000 1.078 170 L CA 1.148 55.834 54.840 -0.258 0.000 0.749 170 L CB -0.471 41.345 42.059 -0.405 0.000 0.901 170 L HN 0.172 nan 8.230 nan 0.000 0.433 171 K N 0.069 120.402 120.400 -0.111 0.000 2.057 171 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 171 K C 2.114 178.666 176.600 -0.080 0.000 1.049 171 K CA 1.449 57.686 56.287 -0.084 0.000 0.931 171 K CB -0.516 31.942 32.500 -0.070 0.000 0.714 171 K HN 0.405 nan 8.250 nan 0.000 0.440 172 G N 1.382 110.139 108.800 -0.072 0.000 2.421 172 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 172 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 172 G C 1.553 176.395 174.900 -0.098 0.000 1.171 172 G CA 0.756 45.802 45.100 -0.090 0.000 0.775 172 G HN 0.165 nan 8.290 nan 0.000 0.543 173 M N 0.028 119.599 119.600 -0.048 0.000 2.202 173 M HA -0.028 4.452 4.480 -0.000 0.000 0.262 173 M C 2.509 178.786 176.300 -0.039 0.000 1.063 173 M CA 1.216 56.505 55.300 -0.019 0.000 1.097 173 M CB -0.215 32.401 32.600 0.026 0.000 1.382 173 M HN 0.167 nan 8.290 nan 0.000 0.413 174 K N 0.633 120.999 120.400 -0.057 0.000 2.026 174 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 174 K C 2.065 178.624 176.600 -0.067 0.000 1.048 174 K CA 1.439 57.692 56.287 -0.056 0.000 0.929 174 K CB -0.002 32.461 32.500 -0.061 0.000 0.713 174 K HN 0.194 nan 8.250 nan 0.000 0.439 175 K N 0.559 120.903 120.400 -0.094 0.000 2.103 175 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 175 K C 2.092 178.605 176.600 -0.144 0.000 1.052 175 K CA 0.822 57.040 56.287 -0.116 0.000 0.945 175 K CB 0.016 32.436 32.500 -0.134 0.000 0.722 175 K HN 0.084 nan 8.250 nan 0.000 0.443 176 I N 1.003 121.471 120.570 -0.170 0.000 2.226 176 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 176 I C 2.408 178.499 176.117 -0.044 0.000 1.100 176 I CA 1.223 62.436 61.300 -0.146 0.000 1.374 176 I CB -0.333 37.596 38.000 -0.119 0.000 1.057 176 I HN 0.210 nan 8.210 nan 0.000 0.413 177 A N 0.736 123.538 122.820 -0.029 0.000 1.908 177 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 177 A C 2.484 180.048 177.584 -0.033 0.000 1.181 177 A CA 2.083 54.112 52.037 -0.013 0.000 0.627 177 A CB -0.909 18.086 19.000 -0.008 0.000 0.818 177 A HN 0.453 nan 8.150 nan 0.000 0.445 178 A N -1.043 121.743 122.820 -0.055 0.000 2.119 178 A HA 0.172 4.492 4.320 -0.000 0.000 0.217 178 A C 1.932 179.463 177.584 -0.090 0.000 1.153 178 A CA 1.162 53.163 52.037 -0.060 0.000 0.692 178 A CB -0.407 18.557 19.000 -0.060 0.000 0.799 178 A HN 0.462 nan 8.150 nan 0.000 0.458 179 L N -1.475 119.663 121.223 -0.142 0.000 2.567 179 L HA 0.211 4.551 4.340 -0.000 0.000 0.225 179 L C 1.592 178.317 176.870 -0.242 0.000 1.119 179 L CA 0.588 55.250 54.840 -0.296 0.000 0.871 179 L CB 0.013 41.781 42.059 -0.484 0.000 1.036 179 L HN 0.526 nan 8.230 nan 0.000 0.459 180 G N -0.063 108.689 108.800 -0.079 0.000 2.176 180 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.252 180 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.252 180 G C 0.322 175.268 174.900 0.077 0.000 1.024 180 G CA 0.504 45.609 45.100 0.008 0.000 0.755 180 G HN 0.328 nan 8.290 nan 0.000 0.507 181 S N -1.333 114.422 115.700 0.092 0.000 2.623 181 S HA 0.897 5.367 4.470 -0.000 0.000 0.287 181 S C 0.170 174.898 174.600 0.212 0.000 1.123 181 S CA -0.005 58.335 58.200 0.233 0.000 1.016 181 S CB 1.203 64.659 63.200 0.428 0.000 1.233 181 S HN 1.123 nan 8.310 nan 0.000 0.512 182 I N 0.894 121.655 120.570 0.318 0.000 2.827 182 I HA 0.541 4.711 4.170 -0.000 0.000 0.298 182 I C -2.155 174.235 176.117 0.455 0.000 1.235 182 I CA -0.954 60.527 61.300 0.301 0.000 1.021 182 I CB 1.919 40.049 38.000 0.217 0.000 1.259 182 I HN 0.592 nan 8.210 nan 0.000 0.427 183 L N 6.971 128.422 121.223 0.379 0.000 2.313 183 L HA 0.834 5.174 4.340 -0.000 0.000 0.283 183 L C -0.573 176.513 176.870 0.359 0.000 1.013 183 L CA 0.002 55.079 54.840 0.396 0.000 0.816 183 L CB 1.425 43.643 42.059 0.265 0.000 1.236 183 L HN 0.655 nan 8.230 nan 0.000 0.419 184 A N 5.017 128.037 122.820 0.335 0.000 2.306 184 A HA 0.753 5.073 4.320 -0.000 0.000 0.314 184 A C -0.807 176.773 177.584 -0.007 0.000 1.164 184 A CA -0.280 51.827 52.037 0.116 0.000 0.822 184 A CB 1.034 19.878 19.000 -0.260 0.000 1.130 184 A HN 1.005 nan 8.150 nan 0.000 0.496 185 V N 0.384 120.261 119.914 -0.061 0.000 2.656 185 V HA 0.499 4.619 4.120 -0.000 0.000 0.307 185 V C -0.307 175.670 176.094 -0.195 0.000 1.051 185 V CA -0.703 61.548 62.300 -0.082 0.000 0.893 185 V CB 1.239 33.063 31.823 0.002 0.000 0.999 185 V HN 0.962 nan 8.190 nan 0.000 0.426 186 H N 3.849 122.692 119.070 -0.377 0.000 3.067 186 H HA 0.656 5.212 4.556 -0.000 0.000 0.265 186 H C 0.495 175.738 175.328 -0.141 0.000 1.234 186 H CA 0.369 56.208 56.048 -0.348 0.000 1.452 186 H CB 0.743 29.993 29.762 -0.854 0.000 1.527 186 H HN 1.135 nan 8.280 nan 0.000 0.486 187 A N 5.708 128.402 122.820 -0.209 0.000 2.923 187 A HA 0.242 4.562 4.320 -0.000 0.000 0.306 187 A C -0.179 177.335 177.584 -0.117 0.000 1.542 187 A CA -0.477 51.493 52.037 -0.112 0.000 1.225 187 A CB -0.166 18.760 19.000 -0.123 0.000 1.147 187 A HN 0.861 nan 8.150 nan 0.000 0.542 188 E N 0.326 120.530 120.200 0.006 0.000 2.336 188 E HA 0.435 4.785 4.350 -0.000 0.000 0.267 188 E C -0.838 175.778 176.600 0.028 0.000 0.906 188 E CA -0.695 55.715 56.400 0.016 0.000 0.781 188 E CB 2.030 31.782 29.700 0.088 0.000 1.261 188 E HN 0.358 nan 8.360 nan 0.000 0.436 189 S N 1.315 117.013 115.700 -0.004 0.000 2.415 189 S HA 0.072 4.542 4.470 -0.000 0.000 0.313 189 S C 0.686 175.269 174.600 -0.028 0.000 1.067 189 S CA -0.290 57.904 58.200 -0.010 0.000 1.099 189 S CB 0.062 63.252 63.200 -0.016 0.000 0.991 189 S HN 0.588 nan 8.310 nan 0.000 0.491 190 N N 4.172 122.836 118.700 -0.060 0.000 2.036 190 N HA -0.156 4.584 4.740 -0.000 0.000 0.195 190 N C 1.495 176.949 175.510 -0.093 0.000 1.037 190 N CA 1.993 54.948 53.050 -0.158 0.000 0.855 190 N CB 0.047 38.316 38.487 -0.363 0.000 1.033 190 N HN 0.615 nan 8.380 nan 0.000 0.423 191 E N -0.203 119.979 120.200 -0.031 0.000 2.158 191 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 191 E C 2.061 178.656 176.600 -0.009 0.000 0.982 191 E CA 0.570 56.968 56.400 -0.003 0.000 0.823 191 E CB -0.224 29.498 29.700 0.035 0.000 0.766 191 E HN 0.587 nan 8.360 nan 0.000 0.468 192 M N 0.317 119.910 119.600 -0.011 0.000 2.117 192 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 192 M C 2.398 178.686 176.300 -0.021 0.000 1.065 192 M CA 1.137 56.429 55.300 -0.014 0.000 1.114 192 M CB -0.259 32.332 32.600 -0.015 0.000 1.361 192 M HN -0.056 nan 8.290 nan 0.000 0.408 193 V N 1.810 121.708 119.914 -0.027 0.000 2.244 193 V HA -0.268 3.852 4.120 -0.000 0.000 0.244 193 V C 1.822 177.902 176.094 -0.024 0.000 1.042 193 V CA 2.328 64.614 62.300 -0.024 0.000 1.006 193 V CB -0.948 30.862 31.823 -0.022 0.000 0.641 193 V HN 0.617 nan 8.190 nan 0.000 0.446 194 N N 1.085 119.764 118.700 -0.035 0.000 2.467 194 N HA 0.075 4.815 4.740 -0.000 0.000 0.184 194 N C 1.321 176.805 175.510 -0.044 0.000 1.106 194 N CA 1.108 54.134 53.050 -0.040 0.000 0.892 194 N CB -0.261 38.202 38.487 -0.040 0.000 0.969 194 N HN 0.386 nan 8.380 nan 0.000 0.454 195 A N 0.764 123.564 122.820 -0.033 0.000 1.929 195 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 195 A C 2.129 179.687 177.584 -0.043 0.000 1.176 195 A CA 0.630 52.648 52.037 -0.031 0.000 0.628 195 A CB -0.572 18.418 19.000 -0.017 0.000 0.816 195 A HN 0.273 nan 8.150 nan 0.000 0.444 196 L N -0.911 120.289 121.223 -0.039 0.000 2.131 196 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 196 L C 2.687 179.509 176.870 -0.081 0.000 1.087 196 L CA 1.440 56.256 54.840 -0.040 0.000 0.767 196 L CB -0.675 41.373 42.059 -0.017 0.000 0.917 196 L HN 0.303 nan 8.230 nan 0.000 0.441 197 T N -0.996 113.497 114.554 -0.102 0.000 2.708 197 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 197 T C 1.902 176.394 174.700 -0.347 0.000 1.037 197 T CA 1.975 63.927 62.100 -0.246 0.000 1.146 197 T CB -0.292 68.498 68.868 -0.130 0.000 0.865 197 T HN 0.321 nan 8.240 nan 0.000 0.435 198 T N 2.169 116.606 114.554 -0.194 0.000 2.684 198 T HA -0.007 4.343 4.350 -0.000 0.000 0.267 198 T C 1.996 176.605 174.700 -0.150 0.000 1.036 198 T CA 1.061 63.065 62.100 -0.160 0.000 1.148 198 T CB -0.472 68.342 68.868 -0.090 0.000 0.863 198 T HN 0.308 nan 8.240 nan 0.000 0.436 199 I N 1.282 121.783 120.570 -0.115 0.000 2.286 199 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 199 I C 2.857 178.918 176.117 -0.093 0.000 1.115 199 I CA 1.077 62.328 61.300 -0.081 0.000 1.392 199 I CB -0.428 37.542 38.000 -0.050 0.000 1.065 199 I HN 0.201 nan 8.210 nan 0.000 0.418 200 A N 0.820 123.556 122.820 -0.141 0.000 1.902 200 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 200 A C 2.293 179.781 177.584 -0.161 0.000 1.181 200 A CA 1.469 53.432 52.037 -0.123 0.000 0.623 200 A CB -0.728 18.201 19.000 -0.119 0.000 0.818 200 A HN 0.373 nan 8.150 nan 0.000 0.443 201 I N -1.005 119.377 120.570 -0.313 0.000 2.202 201 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 201 I C 2.497 178.557 176.117 -0.094 0.000 1.091 201 I CA 1.584 62.750 61.300 -0.223 0.000 1.368 201 I CB -0.271 37.555 38.000 -0.289 0.000 1.058 201 I HN 0.275 nan 8.210 nan 0.000 0.410 202 E N 0.790 120.937 120.200 -0.090 0.000 2.153 202 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 202 E C 1.642 178.224 176.600 -0.029 0.000 0.988 202 E CA 1.036 57.406 56.400 -0.050 0.000 0.811 202 E CB 0.040 29.711 29.700 -0.047 0.000 0.746 202 E HN 0.420 nan 8.360 nan 0.000 0.466 203 E N -0.044 120.139 120.200 -0.028 0.000 2.479 203 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 203 E C -0.228 176.376 176.600 0.007 0.000 1.049 203 E CA -0.032 56.363 56.400 -0.008 0.000 0.870 203 E CB 0.388 30.085 29.700 -0.006 0.000 0.944 203 E HN 0.108 nan 8.360 nan 0.000 0.492 204 Q N -0.035 119.772 119.800 0.011 0.000 2.481 204 Q HA -0.227 4.113 4.340 -0.000 0.000 0.272 204 Q C -0.581 175.452 176.000 0.056 0.000 1.157 204 Q CA 0.826 56.649 55.803 0.032 0.000 0.935 204 Q CB -1.653 27.099 28.738 0.022 0.000 1.338 204 Q HN 0.368 nan 8.270 nan 0.000 0.494 205 R N 0.612 121.159 120.500 0.077 0.000 2.287 205 R HA 0.361 4.701 4.340 -0.000 0.000 0.327 205 R C 1.022 177.443 176.300 0.203 0.000 1.109 205 R CA -0.161 56.001 56.100 0.105 0.000 1.013 205 R CB 0.421 30.773 30.300 0.088 0.000 1.126 205 R HN 0.133 nan 8.270 nan 0.000 0.503 206 L N 1.476 122.787 121.223 0.147 0.000 3.122 206 L HA 0.141 4.481 4.340 -0.000 0.000 0.274 206 L C 0.807 177.675 176.870 -0.002 0.000 1.222 206 L CA -0.296 54.634 54.840 0.151 0.000 1.028 206 L CB 0.625 42.761 42.059 0.128 0.000 1.386 206 L HN 0.522 nan 8.230 nan 0.000 0.578 207 T N -2.785 111.760 114.554 -0.015 0.000 2.754 207 T HA 0.200 4.550 4.350 -0.000 0.000 0.286 207 T C 1.570 176.168 174.700 -0.170 0.000 0.997 207 T CA -0.060 61.980 62.100 -0.099 0.000 0.982 207 T CB 1.472 70.297 68.868 -0.071 0.000 1.027 207 T HN -0.021 nan 8.240 nan 0.000 0.529 208 V N -0.866 118.872 119.914 -0.294 0.000 2.548 208 V HA -0.002 4.118 4.120 -0.000 0.000 0.249 208 V C 2.557 178.581 176.094 -0.116 0.000 1.055 208 V CA 1.528 63.551 62.300 -0.462 0.000 1.065 208 V CB -1.219 29.960 31.823 -1.072 0.000 0.681 208 V HN 0.941 nan 8.190 nan 0.000 0.462 209 K N 0.417 120.783 120.400 -0.057 0.000 2.097 209 K HA -0.215 4.105 4.320 -0.000 0.000 0.205 209 K C 1.849 178.481 176.600 0.054 0.000 1.050 209 K CA 1.932 58.234 56.287 0.024 0.000 0.938 209 K CB -0.328 32.181 32.500 0.014 0.000 0.718 209 K HN 0.544 nan 8.250 nan 0.000 0.442 210 D N -0.312 120.126 120.400 0.064 0.000 2.178 210 D HA -0.170 4.470 4.640 -0.000 0.000 0.202 210 D C 1.693 178.143 176.300 0.249 0.000 0.974 210 D CA 0.854 54.942 54.000 0.147 0.000 0.841 210 D CB -0.169 40.742 40.800 0.185 0.000 0.953 210 D HN 0.299 nan 8.370 nan 0.000 0.478 211 Y N 1.438 121.737 120.300 -0.002 0.000 2.220 211 Y HA -0.123 4.427 4.550 -0.000 0.000 0.291 211 Y C 2.483 178.443 175.900 0.100 0.000 1.129 211 Y CA 1.343 59.414 58.100 -0.048 0.000 1.161 211 Y CB -0.419 37.829 38.460 -0.354 0.000 0.997 211 Y HN -0.162 nan 8.280 nan 0.000 0.522 212 S N 0.027 115.698 115.700 -0.049 0.000 2.370 212 S HA -0.223 4.247 4.470 -0.000 0.000 0.226 212 S C 1.780 176.330 174.600 -0.084 0.000 1.033 212 S CA 1.869 60.011 58.200 -0.095 0.000 1.011 212 S CB -0.379 62.864 63.200 0.071 0.000 0.852 212 S HN 0.700 nan 8.310 nan 0.000 0.457 213 E N 0.167 120.362 120.200 -0.008 0.000 2.427 213 E HA 0.139 4.489 4.350 -0.000 0.000 0.196 213 E C 1.992 178.598 176.600 0.010 0.000 1.028 213 E CA 0.557 56.961 56.400 0.007 0.000 0.864 213 E CB -0.102 29.617 29.700 0.032 0.000 0.813 213 E HN 0.619 nan 8.360 nan 0.000 0.514 214 A N 1.103 123.943 122.820 0.032 0.000 2.072 214 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 214 A C 1.154 178.727 177.584 -0.020 0.000 1.156 214 A CA 0.444 52.516 52.037 0.058 0.000 0.701 214 A CB 0.154 19.302 19.000 0.247 0.000 0.816 214 A HN 0.001 nan 8.150 nan 0.000 0.458 215 R N 0.292 120.724 120.500 -0.113 0.000 2.651 215 R HA 0.263 4.603 4.340 -0.000 0.000 0.282 215 R C -2.952 173.283 176.300 -0.109 0.000 1.565 215 R CA -1.698 54.329 56.100 -0.121 0.000 1.661 215 R CB 1.078 31.264 30.300 -0.191 0.000 1.189 215 R HN 0.284 nan 8.270 nan 0.000 0.621 216 P HA 0.180 nan 4.420 nan 0.000 0.277 216 P C 0.874 178.141 177.300 -0.056 0.000 1.271 216 P CA -0.442 62.626 63.100 -0.053 0.000 0.795 216 P CB 1.047 32.728 31.700 -0.032 0.000 1.101 217 I N 0.052 120.593 120.570 -0.048 0.000 2.286 217 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 217 I C 2.525 178.610 176.117 -0.054 0.000 1.115 217 I CA 1.265 62.532 61.300 -0.056 0.000 1.392 217 I CB -0.507 37.466 38.000 -0.045 0.000 1.065 217 I HN 0.110 nan 8.210 nan 0.000 0.418 218 V N -0.077 119.812 119.914 -0.041 0.000 2.568 218 V HA -0.300 3.820 4.120 -0.000 0.000 0.253 218 V C 2.601 178.671 176.094 -0.041 0.000 1.072 218 V CA 2.338 64.616 62.300 -0.037 0.000 1.084 218 V CB -0.188 31.620 31.823 -0.026 0.000 0.676 218 V HN 0.596 nan 8.190 nan 0.000 0.469 219 S N -0.768 114.905 115.700 -0.044 0.000 2.371 219 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 219 S C 1.838 176.404 174.600 -0.056 0.000 1.029 219 S CA 1.587 59.760 58.200 -0.044 0.000 0.978 219 S CB -0.343 62.832 63.200 -0.041 0.000 0.833 219 S HN 0.770 nan 8.310 nan 0.000 0.466 220 E N 0.691 120.847 120.200 -0.073 0.000 2.077 220 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 220 E C 2.108 178.656 176.600 -0.087 0.000 0.989 220 E CA 1.469 57.813 56.400 -0.094 0.000 0.800 220 E CB -0.309 29.320 29.700 -0.118 0.000 0.746 220 E HN 0.496 nan 8.360 nan 0.000 0.452 221 L N 1.075 122.253 121.223 -0.074 0.000 2.046 221 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 221 L C 2.731 179.561 176.870 -0.067 0.000 1.077 221 L CA 0.968 55.767 54.840 -0.069 0.000 0.747 221 L CB -0.334 41.691 42.059 -0.056 0.000 0.896 221 L HN 0.147 nan 8.230 nan 0.000 0.432 222 E N 0.666 120.831 120.200 -0.059 0.000 2.038 222 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 222 E C 2.154 178.707 176.600 -0.078 0.000 1.000 222 E CA 1.758 58.123 56.400 -0.059 0.000 0.803 222 E CB -0.001 29.674 29.700 -0.042 0.000 0.750 222 E HN 0.431 nan 8.360 nan 0.000 0.448 223 A N 0.586 123.363 122.820 -0.072 0.000 1.930 223 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 223 A C 2.614 180.135 177.584 -0.104 0.000 1.175 223 A CA 1.414 53.404 52.037 -0.077 0.000 0.627 223 A CB -0.614 18.358 19.000 -0.047 0.000 0.815 223 A HN 0.195 nan 8.150 nan 0.000 0.443 224 V N 0.161 120.015 119.914 -0.100 0.000 2.295 224 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 224 V C 2.430 178.457 176.094 -0.111 0.000 1.049 224 V CA 2.316 64.555 62.300 -0.103 0.000 1.024 224 V CB -0.776 30.988 31.823 -0.099 0.000 0.648 224 V HN 0.639 nan 8.190 nan 0.000 0.447 225 E N -0.257 119.878 120.200 -0.109 0.000 2.077 225 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 225 E C 2.385 178.878 176.600 -0.179 0.000 0.989 225 E CA 1.416 57.749 56.400 -0.113 0.000 0.800 225 E CB -0.197 29.450 29.700 -0.087 0.000 0.746 225 E HN 0.455 nan 8.360 nan 0.000 0.452 226 R N 0.758 121.111 120.500 -0.246 0.000 2.083 226 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 226 R C 2.294 178.169 176.300 -0.709 0.000 1.137 226 R CA 1.310 57.118 56.100 -0.486 0.000 0.951 226 R CB -0.294 29.748 30.300 -0.430 0.000 0.851 226 R HN 0.114 nan 8.270 nan 0.000 0.434 227 I N 0.566 120.903 120.570 -0.388 0.000 2.394 227 I HA -0.194 3.976 4.170 -0.000 0.000 0.251 227 I C 1.794 177.864 176.117 -0.079 0.000 1.136 227 I CA 1.112 62.293 61.300 -0.199 0.000 1.425 227 I CB 0.044 38.015 38.000 -0.047 0.000 1.079 227 I HN 0.245 nan 8.210 nan 0.000 0.425 228 L N -0.291 120.875 121.223 -0.094 0.000 2.046 228 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 228 L C 2.641 179.508 176.870 -0.006 0.000 1.077 228 L CA 0.990 55.808 54.840 -0.037 0.000 0.747 228 L CB -0.731 41.299 42.059 -0.047 0.000 0.896 228 L HN 0.149 nan 8.230 nan 0.000 0.432 229 R N -0.168 120.306 120.500 -0.044 0.000 2.075 229 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 229 R C 2.255 178.672 176.300 0.194 0.000 1.126 229 R CA 1.388 57.508 56.100 0.033 0.000 0.963 229 R CB -0.957 29.339 30.300 -0.007 0.000 0.858 229 R HN 0.374 nan 8.270 nan 0.000 0.435 230 F N 0.827 120.788 119.950 0.018 0.000 2.134 230 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 230 F C 2.551 178.362 175.800 0.018 0.000 1.097 230 F CA 0.512 58.525 58.000 0.021 0.000 1.264 230 F CB -0.274 38.743 39.000 0.029 0.000 1.001 230 F HN 0.111 nan 8.300 nan 0.000 0.479 231 A N -0.273 122.676 122.820 0.216 0.000 1.969 231 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 231 A C 2.023 179.659 177.584 0.086 0.000 1.169 231 A CA 1.286 53.397 52.037 0.124 0.000 0.635 231 A CB -0.694 18.360 19.000 0.090 0.000 0.810 231 A HN 0.416 nan 8.150 nan 0.000 0.445 232 Q N -0.754 119.096 119.800 0.083 0.000 2.050 232 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 232 Q C 2.131 178.166 176.000 0.057 0.000 0.980 232 Q CA 1.312 57.150 55.803 0.058 0.000 0.840 232 Q CB -0.242 28.526 28.738 0.051 0.000 0.898 232 Q HN 0.684 nan 8.270 nan 0.000 0.424 233 L N 0.140 121.410 121.223 0.077 0.000 2.017 233 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 233 L C 1.832 178.723 176.870 0.034 0.000 1.073 233 L CA 1.610 56.483 54.840 0.055 0.000 0.745 233 L CB -0.339 41.758 42.059 0.063 0.000 0.894 233 L HN 0.349 nan 8.230 nan 0.000 0.432 234 T N -2.010 112.569 114.554 0.043 0.000 3.035 234 T HA -0.042 4.308 4.350 -0.000 0.000 0.259 234 T C 1.088 175.801 174.700 0.022 0.000 1.078 234 T CA 0.630 62.744 62.100 0.023 0.000 1.132 234 T CB -0.333 68.550 68.868 0.025 0.000 0.900 234 T HN 0.560 nan 8.240 nan 0.000 0.480 235 C N 1.395 120.714 119.300 0.032 0.000 4.356 235 C HA -0.150 4.310 4.460 -0.000 0.000 0.296 235 C C 1.149 176.157 174.990 0.030 0.000 1.424 235 C CA -1.091 57.943 59.018 0.027 0.000 2.000 235 C CB -3.393 24.357 27.740 0.017 0.000 1.262 235 C HN 0.791 nan 8.230 nan 0.000 0.789 236 C N 2.467 121.793 119.300 0.043 0.000 2.325 236 C HA 0.546 5.006 4.460 -0.000 0.000 0.347 236 C C -1.626 173.405 174.990 0.068 0.000 1.263 236 C CA -1.616 57.434 59.018 0.053 0.000 1.806 236 C CB -0.166 27.609 27.740 0.059 0.000 2.405 236 C HN 0.531 nan 8.230 nan 0.000 0.537 237 P HA 0.295 nan 4.420 nan 0.000 0.268 237 P C -0.579 176.787 177.300 0.110 0.000 1.204 237 P CA 0.446 63.587 63.100 0.068 0.000 0.768 237 P CB 0.243 31.971 31.700 0.047 0.000 0.842 238 I N -0.765 119.869 120.570 0.107 0.000 2.785 238 I HA 0.688 4.858 4.170 -0.000 0.000 0.302 238 I C -0.798 175.428 176.117 0.183 0.000 1.069 238 I CA -1.146 60.241 61.300 0.146 0.000 1.045 238 I CB 2.583 40.644 38.000 0.103 0.000 1.236 238 I HN 0.225 nan 8.210 nan 0.000 0.429 239 H N 5.018 124.156 119.070 0.114 0.000 2.658 239 H HA 0.565 5.121 4.556 -0.000 0.000 0.337 239 H C -1.296 174.054 175.328 0.037 0.000 1.009 239 H CA -0.696 55.418 56.048 0.111 0.000 1.231 239 H CB 1.304 31.232 29.762 0.276 0.000 1.508 239 H HN 0.535 nan 8.280 nan 0.000 0.517 240 I N 5.582 125.888 120.570 -0.439 0.000 2.337 240 I HA 0.093 4.263 4.170 -0.000 0.000 0.291 240 I C 0.533 176.323 176.117 -0.544 0.000 1.046 240 I CA -0.384 60.690 61.300 -0.378 0.000 1.324 240 I CB -0.310 37.539 38.000 -0.253 0.000 1.409 240 I HN 0.599 nan 8.210 nan 0.000 0.494 241 C N 5.739 124.778 119.300 -0.435 0.000 2.656 241 C HA 0.112 4.572 4.460 -0.000 0.000 0.391 241 C C 0.558 175.288 174.990 -0.435 0.000 1.300 241 C CA -0.195 58.541 59.018 -0.470 0.000 2.302 241 C CB -0.627 26.711 27.740 -0.670 0.000 2.655 241 C HN 0.968 nan 8.230 nan 0.000 0.656 242 H N -0.845 118.187 119.070 -0.062 0.000 1.637 242 H HA -0.065 4.491 4.556 -0.000 0.000 0.314 242 H C -0.589 174.495 175.328 -0.407 0.000 0.766 242 H CA 0.077 56.019 56.048 -0.177 0.000 1.056 242 H CB -1.693 28.073 29.762 0.006 0.000 1.475 242 H HN 0.311 nan 8.280 nan 0.000 0.246 243 V N 2.619 122.364 119.914 -0.282 0.000 2.546 243 V HA 0.198 4.318 4.120 -0.000 0.000 0.284 243 V C 1.401 177.147 176.094 -0.580 0.000 1.050 243 V CA 0.436 62.526 62.300 -0.350 0.000 0.981 243 V CB 1.677 33.355 31.823 -0.241 0.000 0.990 243 V HN 0.984 nan 8.190 nan 0.000 0.474 244 S N 2.287 117.663 115.700 -0.541 0.000 2.511 244 S HA 0.180 4.650 4.470 -0.000 0.000 0.214 244 S C 0.614 175.083 174.600 -0.218 0.000 0.997 244 S CA 0.317 58.194 58.200 -0.538 0.000 0.908 244 S CB 0.357 63.334 63.200 -0.373 0.000 0.803 244 S HN 0.673 nan 8.310 nan 0.000 0.504 245 S N 0.053 115.645 115.700 -0.179 0.000 2.540 245 S HA 0.502 4.972 4.470 -0.000 0.000 0.275 245 S C 0.271 174.815 174.600 -0.093 0.000 1.123 245 S CA -0.831 57.309 58.200 -0.099 0.000 0.907 245 S CB 1.737 64.892 63.200 -0.073 0.000 1.081 245 S HN 0.303 nan 8.310 nan 0.000 0.476 246 R N 2.108 122.572 120.500 -0.060 0.000 2.189 246 R HA 0.014 4.354 4.340 -0.000 0.000 0.223 246 R C 1.480 177.753 176.300 -0.044 0.000 1.092 246 R CA 1.186 57.257 56.100 -0.049 0.000 0.989 246 R CB -0.152 30.135 30.300 -0.022 0.000 0.876 246 R HN 0.633 nan 8.270 nan 0.000 0.457 247 K N -0.230 120.145 120.400 -0.041 0.000 2.103 247 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 247 K C 1.901 178.470 176.600 -0.052 0.000 1.048 247 K CA 1.505 57.769 56.287 -0.039 0.000 0.930 247 K CB 0.058 32.538 32.500 -0.034 0.000 0.716 247 K HN 0.080 nan 8.250 nan 0.000 0.444 248 V N 1.647 121.519 119.914 -0.070 0.000 2.488 248 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 248 V C 2.189 178.235 176.094 -0.080 0.000 1.046 248 V CA 1.234 63.484 62.300 -0.083 0.000 1.053 248 V CB -0.438 31.319 31.823 -0.110 0.000 0.679 248 V HN 0.240 nan 8.190 nan 0.000 0.458 249 L N -0.322 120.853 121.223 -0.080 0.000 2.083 249 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 249 L C 2.543 179.382 176.870 -0.052 0.000 1.083 249 L CA 1.639 56.436 54.840 -0.072 0.000 0.752 249 L CB -0.593 41.424 42.059 -0.070 0.000 0.899 249 L HN 0.286 nan 8.230 nan 0.000 0.433 250 K N -0.466 119.908 120.400 -0.044 0.000 2.217 250 K HA -0.141 4.179 4.320 -0.000 0.000 0.202 250 K C 2.212 178.793 176.600 -0.033 0.000 1.051 250 K CA 0.487 56.755 56.287 -0.032 0.000 0.952 250 K CB 0.063 32.548 32.500 -0.024 0.000 0.736 250 K HN 0.014 nan 8.250 nan 0.000 0.453 251 R N 1.537 122.013 120.500 -0.041 0.000 2.073 251 R HA 0.017 4.357 4.340 -0.000 0.000 0.229 251 R C 1.792 178.067 176.300 -0.041 0.000 1.120 251 R CA 1.198 57.274 56.100 -0.041 0.000 0.967 251 R CB -0.408 29.863 30.300 -0.048 0.000 0.862 251 R HN 0.097 nan 8.270 nan 0.000 0.436 252 I N 0.683 121.224 120.570 -0.049 0.000 2.226 252 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 252 I C 2.405 178.501 176.117 -0.034 0.000 1.100 252 I CA 1.475 62.747 61.300 -0.047 0.000 1.374 252 I CB -0.321 37.642 38.000 -0.060 0.000 1.057 252 I HN 0.217 nan 8.210 nan 0.000 0.413 253 K N 0.928 121.309 120.400 -0.032 0.000 2.103 253 K HA -0.296 4.024 4.320 -0.000 0.000 0.207 253 K C 2.207 178.795 176.600 -0.019 0.000 1.048 253 K CA 1.798 58.071 56.287 -0.023 0.000 0.930 253 K CB -0.149 32.339 32.500 -0.021 0.000 0.716 253 K HN 0.344 nan 8.250 nan 0.000 0.444 254 Q N -0.001 119.787 119.800 -0.020 0.000 2.050 254 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 254 Q C 1.941 177.932 176.000 -0.015 0.000 0.980 254 Q CA 1.638 57.431 55.803 -0.017 0.000 0.840 254 Q CB -0.233 28.494 28.738 -0.018 0.000 0.898 254 Q HN 0.438 nan 8.270 nan 0.000 0.424 255 A N 1.145 123.953 122.820 -0.019 0.000 1.908 255 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 255 A C 1.995 179.573 177.584 -0.011 0.000 1.181 255 A CA 1.749 53.777 52.037 -0.015 0.000 0.627 255 A CB -0.458 18.530 19.000 -0.020 0.000 0.818 255 A HN 0.366 nan 8.150 nan 0.000 0.445 256 K N -0.983 119.409 120.400 -0.013 0.000 2.063 256 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 256 K C 2.004 178.599 176.600 -0.008 0.000 1.048 256 K CA 1.170 57.450 56.287 -0.010 0.000 0.928 256 K CB -0.439 32.053 32.500 -0.013 0.000 0.713 256 K HN 0.494 nan 8.250 nan 0.000 0.442 257 G N 0.887 109.681 108.800 -0.009 0.000 2.534 257 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 257 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 257 G C 0.928 175.825 174.900 -0.005 0.000 1.128 257 G CA 0.333 45.429 45.100 -0.006 0.000 0.784 257 G HN 0.334 nan 8.290 nan 0.000 0.542 258 E N -0.576 119.622 120.200 -0.004 0.000 2.479 258 E HA 0.304 4.654 4.350 -0.000 0.000 0.193 258 E C 1.632 178.232 176.600 0.000 0.000 1.049 258 E CA 0.196 56.595 56.400 -0.002 0.000 0.870 258 E CB 0.227 29.926 29.700 -0.002 0.000 0.944 258 E HN 0.362 nan 8.360 nan 0.000 0.492 259 G N 0.837 109.637 108.800 -0.001 0.000 2.176 259 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.232 259 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.232 259 G C 0.347 175.249 174.900 0.003 0.000 0.986 259 G CA -0.003 45.097 45.100 0.001 0.000 0.643 259 G HN 0.141 nan 8.290 nan 0.000 0.522 260 V N 1.517 121.433 119.914 0.003 0.000 2.572 260 V HA 0.249 4.369 4.120 -0.000 0.000 0.291 260 V C 0.951 177.048 176.094 0.006 0.000 1.039 260 V CA -0.444 61.861 62.300 0.008 0.000 1.055 260 V CB 1.412 33.239 31.823 0.006 0.000 0.969 260 V HN 0.364 nan 8.190 nan 0.000 0.482 261 N N 4.706 123.413 118.700 0.012 0.000 2.549 261 N HA 0.171 4.911 4.740 -0.000 0.000 0.267 261 N C -0.790 174.731 175.510 0.018 0.000 1.182 261 N CA 0.114 53.170 53.050 0.010 0.000 1.019 261 N CB 0.314 38.808 38.487 0.012 0.000 1.380 261 N HN 0.528 nan 8.380 nan 0.000 0.505 262 V N 0.766 120.686 119.914 0.011 0.000 2.735 262 V HA 0.604 4.724 4.120 -0.000 0.000 0.310 262 V C 0.138 176.245 176.094 0.021 0.000 1.061 262 V CA -1.044 61.266 62.300 0.017 0.000 0.913 262 V CB 1.708 33.527 31.823 -0.005 0.000 1.005 262 V HN 0.509 nan 8.190 nan 0.000 0.428 263 S N 1.956 117.694 115.700 0.063 0.000 2.600 263 S HA 0.904 5.374 4.470 -0.000 0.000 0.300 263 S C -0.854 173.751 174.600 0.009 0.000 1.087 263 S CA -0.856 57.404 58.200 0.100 0.000 0.965 263 S CB 2.166 65.497 63.200 0.218 0.000 1.089 263 S HN 1.194 nan 8.310 nan 0.000 0.496 264 V N 1.250 121.149 119.914 -0.025 0.000 2.841 264 V HA 0.692 4.812 4.120 -0.000 0.000 0.310 264 V C -1.063 174.986 176.094 -0.074 0.000 1.090 264 V CA -0.582 61.615 62.300 -0.171 0.000 0.930 264 V CB 1.686 33.427 31.823 -0.136 0.000 1.014 264 V HN 1.183 nan 8.190 nan 0.000 0.425 265 E N 3.748 123.863 120.200 -0.142 0.000 2.281 265 E HA 0.721 5.071 4.350 -0.000 0.000 0.262 265 E C -1.122 175.434 176.600 -0.074 0.000 0.933 265 E CA -0.557 55.846 56.400 0.004 0.000 0.809 265 E CB 2.508 32.314 29.700 0.177 0.000 1.242 265 E HN 0.622 nan 8.360 nan 0.000 0.418 266 T N -0.480 114.040 114.554 -0.057 0.000 2.693 266 T HA 0.569 4.919 4.350 -0.000 0.000 0.278 266 T C -1.338 173.353 174.700 -0.014 0.000 0.994 266 T CA -0.399 61.651 62.100 -0.084 0.000 1.033 266 T CB 1.218 69.989 68.868 -0.163 0.000 1.342 266 T HN 0.689 nan 8.240 nan 0.000 0.538 267 C N 1.597 120.912 119.300 0.025 0.000 2.898 267 C HA 0.508 4.968 4.460 -0.000 0.000 0.304 267 C C -1.586 173.267 174.990 -0.227 0.000 1.237 267 C CA -1.105 57.860 59.018 -0.088 0.000 1.529 267 C CB 1.810 29.446 27.740 -0.174 0.000 2.021 267 C HN 0.681 nan 8.230 nan 0.000 0.474 268 P HA -0.156 nan 4.420 nan 0.000 0.220 268 P C 1.314 178.576 177.300 -0.063 0.000 1.148 268 P CA 1.422 64.479 63.100 -0.072 0.000 0.803 268 P CB -0.183 31.521 31.700 0.007 0.000 0.782 269 H N -2.602 116.477 119.070 0.015 0.000 2.457 269 H HA -0.068 4.488 4.556 -0.000 0.000 0.294 269 H C 1.247 176.450 175.328 -0.208 0.000 1.064 269 H CA 1.035 57.008 56.048 -0.125 0.000 1.330 269 H CB -1.337 28.360 29.762 -0.108 0.000 1.395 269 H HN 0.217 nan 8.280 nan 0.000 0.541 270 Y N 1.132 121.324 120.300 -0.179 0.000 2.509 270 Y HA 0.063 4.613 4.550 -0.000 0.000 0.293 270 Y C 2.472 178.307 175.900 -0.108 0.000 1.133 270 Y CA 0.376 58.411 58.100 -0.108 0.000 1.283 270 Y CB 0.009 38.362 38.460 -0.179 0.000 1.001 270 Y HN 0.108 nan 8.280 nan 0.000 0.555 271 L N -1.544 119.659 121.223 -0.032 0.000 2.463 271 L HA 0.046 4.386 4.340 -0.000 0.000 0.219 271 L C 1.924 178.947 176.870 0.254 0.000 1.088 271 L CA 0.388 55.204 54.840 -0.041 0.000 0.849 271 L CB 0.136 42.020 42.059 -0.292 0.000 1.012 271 L HN 0.242 nan 8.230 nan 0.000 0.468 272 L N -1.433 119.812 121.223 0.038 0.000 2.445 272 L HA 0.251 4.591 4.340 -0.000 0.000 0.207 272 L C 0.002 176.842 176.870 -0.049 0.000 1.053 272 L CA 0.259 55.052 54.840 -0.079 0.000 0.841 272 L CB 0.646 42.470 42.059 -0.392 0.000 1.074 272 L HN 0.011 nan 8.230 nan 0.000 0.479 273 F N 0.454 120.496 119.950 0.153 0.000 2.411 273 F HA 0.249 4.776 4.527 -0.000 0.000 0.352 273 F C 0.762 176.616 175.800 0.089 0.000 1.123 273 F CA -0.972 57.081 58.000 0.090 0.000 1.044 273 F CB 1.624 40.625 39.000 0.002 0.000 1.135 273 F HN -0.046 nan 8.300 nan 0.000 0.461 274 S N 2.854 118.745 115.700 0.317 0.000 2.767 274 S HA 0.379 4.849 4.470 -0.000 0.000 0.300 274 S C 0.771 175.515 174.600 0.240 0.000 1.123 274 S CA -0.780 57.560 58.200 0.233 0.000 0.992 274 S CB 1.241 64.552 63.200 0.186 0.000 1.138 274 S HN 0.503 nan 8.310 nan 0.000 0.550 275 L N 1.445 122.799 121.223 0.219 0.000 2.081 275 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 275 L C 2.072 179.034 176.870 0.153 0.000 1.080 275 L CA 1.775 56.751 54.840 0.226 0.000 0.754 275 L CB -1.515 40.635 42.059 0.152 0.000 0.893 275 L HN 0.723 nan 8.230 nan 0.000 0.433 276 D N -0.538 119.934 120.400 0.119 0.000 2.104 276 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 276 D C 2.032 178.376 176.300 0.074 0.000 0.994 276 D CA 1.304 55.351 54.000 0.077 0.000 0.830 276 D CB 0.063 40.908 40.800 0.075 0.000 0.959 276 D HN 0.359 nan 8.370 nan 0.000 0.452 277 E N -0.186 120.084 120.200 0.117 0.000 2.216 277 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 277 E C 1.654 178.272 176.600 0.031 0.000 0.988 277 E CA 0.009 56.454 56.400 0.075 0.000 0.834 277 E CB -0.251 29.547 29.700 0.165 0.000 0.772 277 E HN 0.162 nan 8.360 nan 0.000 0.479 278 F N 1.365 121.256 119.950 -0.099 0.000 2.146 278 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 278 F C 2.040 177.767 175.800 -0.121 0.000 1.096 278 F CA 1.192 59.111 58.000 -0.136 0.000 1.275 278 F CB -0.836 38.134 39.000 -0.051 0.000 1.008 278 F HN 0.031 nan 8.300 nan 0.000 0.480 279 A N -0.194 122.581 122.820 -0.074 0.000 1.933 279 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 279 A C 2.308 179.820 177.584 -0.121 0.000 1.175 279 A CA 1.677 53.611 52.037 -0.172 0.000 0.628 279 A CB -0.897 18.028 19.000 -0.124 0.000 0.814 279 A HN 0.548 nan 8.150 nan 0.000 0.444 280 E N -0.371 119.787 120.200 -0.070 0.000 2.072 280 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 280 E C 1.825 178.365 176.600 -0.101 0.000 0.982 280 E CA 0.983 57.339 56.400 -0.073 0.000 0.803 280 E CB -0.126 29.548 29.700 -0.042 0.000 0.755 280 E HN 0.671 nan 8.360 nan 0.000 0.453 281 I N 0.012 120.514 120.570 -0.113 0.000 2.406 281 I HA 0.033 4.203 4.170 -0.000 0.000 0.249 281 I C 1.540 177.581 176.117 -0.127 0.000 1.122 281 I CA 0.736 61.947 61.300 -0.149 0.000 1.431 281 I CB -0.104 37.732 38.000 -0.273 0.000 1.087 281 I HN 0.358 nan 8.210 nan 0.000 0.424 282 G N 0.047 108.787 108.800 -0.100 0.000 2.481 282 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.230 282 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.230 282 G C 0.247 175.169 174.900 0.038 0.000 1.210 282 G CA 0.116 45.118 45.100 -0.162 0.000 0.936 282 G HN 0.007 nan 8.290 nan 0.000 0.583 283 Y N 0.683 120.944 120.300 -0.065 0.000 2.421 283 Y HA 0.178 4.728 4.550 -0.000 0.000 0.292 283 Y C 2.994 178.856 175.900 -0.064 0.000 1.136 283 Y CA 1.325 59.390 58.100 -0.058 0.000 1.255 283 Y CB -0.667 37.734 38.460 -0.098 0.000 0.991 283 Y HN 0.367 nan 8.280 nan 0.000 0.552 284 L N -0.981 120.275 121.223 0.055 0.000 2.201 284 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 284 L C 2.008 178.775 176.870 -0.171 0.000 1.105 284 L CA 0.984 55.787 54.840 -0.063 0.000 0.775 284 L CB -0.375 41.627 42.059 -0.095 0.000 0.913 284 L HN 0.122 nan 8.230 nan 0.000 0.440 285 A N -0.536 122.170 122.820 -0.190 0.000 2.411 285 A HA 0.040 4.360 4.320 -0.000 0.000 0.251 285 A C 0.706 177.880 177.584 -0.682 0.000 1.317 285 A CA -0.177 51.594 52.037 -0.444 0.000 0.904 285 A CB -0.327 18.350 19.000 -0.537 0.000 0.993 285 A HN 0.123 nan 8.150 nan 0.000 0.504 286 K N 0.893 121.090 120.400 -0.339 0.000 2.234 286 K HA 0.439 4.759 4.320 -0.000 0.000 0.282 286 K C -0.511 175.895 176.600 -0.323 0.000 1.039 286 K CA -0.110 55.987 56.287 -0.317 0.000 0.928 286 K CB 0.367 32.759 32.500 -0.181 0.000 1.039 286 K HN 0.605 nan 8.250 nan 0.000 0.470 287 C N 0.502 119.669 119.300 -0.220 0.000 3.340 287 C HA 0.899 5.359 4.460 -0.000 0.000 0.333 287 C C -1.032 173.970 174.990 0.022 0.000 1.464 287 C CA -1.202 57.713 59.018 -0.172 0.000 1.337 287 C CB 0.808 28.385 27.740 -0.272 0.000 1.740 287 C HN 0.812 nan 8.230 nan 0.000 0.450 288 A N 1.323 124.135 122.820 -0.013 0.000 2.353 288 A HA 0.883 5.203 4.320 -0.000 0.000 0.299 288 A C -3.041 174.450 177.584 -0.155 0.000 1.089 288 A CA -1.182 50.877 52.037 0.037 0.000 0.736 288 A CB 0.522 19.599 19.000 0.128 0.000 1.195 288 A HN 0.726 nan 8.150 nan 0.000 0.447 289 P HA 0.344 nan 4.420 nan 0.000 0.272 289 P C -2.586 174.762 177.300 0.081 0.000 1.230 289 P CA -0.973 62.082 63.100 -0.076 0.000 0.788 289 P CB 0.010 31.609 31.700 -0.168 0.000 0.949 290 P HA 0.148 nan 4.420 nan 0.000 0.274 290 P C -0.270 177.119 177.300 0.149 0.000 1.256 290 P CA -0.210 62.916 63.100 0.043 0.000 0.795 290 P CB 0.363 31.973 31.700 -0.150 0.000 1.038 291 L N 0.810 122.064 121.223 0.052 0.000 2.473 291 L HA 0.233 4.573 4.340 -0.000 0.000 0.268 291 L C 1.280 178.256 176.870 0.176 0.000 1.215 291 L CA 0.018 54.925 54.840 0.113 0.000 0.823 291 L CB -0.044 41.989 42.059 -0.045 0.000 1.099 291 L HN 0.309 nan 8.230 nan 0.000 0.483 292 R N 0.383 120.990 120.500 0.179 0.000 2.939 292 R HA 0.322 4.662 4.340 -0.000 0.000 0.254 292 R C -0.700 175.683 176.300 0.138 0.000 1.123 292 R CA -0.980 55.202 56.100 0.137 0.000 1.020 292 R CB 0.923 31.284 30.300 0.101 0.000 1.206 292 R HN 0.714 nan 8.270 nan 0.000 0.491 293 E N 0.540 120.803 120.200 0.106 0.000 2.442 293 E HA -0.046 4.304 4.350 -0.000 0.000 0.260 293 E C 0.648 177.311 176.600 0.104 0.000 1.148 293 E CA -0.395 56.063 56.400 0.097 0.000 0.976 293 E CB 0.709 30.451 29.700 0.070 0.000 0.967 293 E HN 0.340 nan 8.360 nan 0.000 0.454 294 R N 0.970 121.530 120.500 0.100 0.000 2.083 294 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 294 R C 2.072 178.431 176.300 0.098 0.000 1.137 294 R CA 1.976 58.139 56.100 0.106 0.000 0.951 294 R CB -0.658 29.697 30.300 0.091 0.000 0.851 294 R HN 0.670 nan 8.270 nan 0.000 0.434 295 Q N 0.297 120.143 119.800 0.077 0.000 2.152 295 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 295 Q C 1.880 177.924 176.000 0.074 0.000 0.985 295 Q CA 1.922 57.766 55.803 0.068 0.000 0.863 295 Q CB -0.208 28.560 28.738 0.050 0.000 0.904 295 Q HN 0.388 nan 8.270 nan 0.000 0.422 296 E N -0.645 119.599 120.200 0.073 0.000 2.106 296 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 296 E C 1.966 178.616 176.600 0.083 0.000 0.984 296 E CA 0.680 57.118 56.400 0.064 0.000 0.806 296 E CB 0.070 29.804 29.700 0.057 0.000 0.750 296 E HN 0.113 nan 8.360 nan 0.000 0.458 297 V N 1.260 121.247 119.914 0.122 0.000 2.358 297 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 297 V C 2.072 178.313 176.094 0.244 0.000 1.047 297 V CA 1.779 64.180 62.300 0.169 0.000 1.035 297 V CB -0.479 31.466 31.823 0.204 0.000 0.658 297 V HN 0.226 nan 8.190 nan 0.000 0.452 298 E N 0.332 120.657 120.200 0.208 0.000 2.110 298 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 298 E C 1.932 178.646 176.600 0.189 0.000 0.988 298 E CA 1.458 57.984 56.400 0.210 0.000 0.804 298 E CB -0.395 29.378 29.700 0.123 0.000 0.745 298 E HN 0.613 nan 8.360 nan 0.000 0.458 299 D N 0.351 120.825 120.400 0.123 0.000 2.183 299 D HA -0.091 4.549 4.640 -0.000 0.000 0.203 299 D C 1.956 178.299 176.300 0.070 0.000 0.969 299 D CA 0.235 54.286 54.000 0.084 0.000 0.842 299 D CB -0.218 40.612 40.800 0.050 0.000 0.957 299 D HN 0.046 nan 8.370 nan 0.000 0.484 300 L N -0.723 120.531 121.223 0.051 0.000 2.046 300 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 300 L C 1.829 178.669 176.870 -0.050 0.000 1.077 300 L CA 1.575 56.393 54.840 -0.037 0.000 0.747 300 L CB -0.585 41.416 42.059 -0.097 0.000 0.896 300 L HN 0.123 nan 8.230 nan 0.000 0.432 301 W N 0.174 121.484 121.300 0.016 0.000 2.358 301 W HA -0.211 4.449 4.660 -0.000 0.000 0.303 301 W C 2.381 178.906 176.519 0.011 0.000 1.208 301 W CA 1.222 58.577 57.345 0.016 0.000 1.274 301 W CB -0.197 29.274 29.460 0.019 0.000 1.138 301 W HN 0.195 nan 8.180 nan 0.000 0.515 302 D N -0.733 119.813 120.400 0.244 0.000 2.123 302 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 302 D C 2.322 178.677 176.300 0.092 0.000 0.992 302 D CA 1.857 55.943 54.000 0.143 0.000 0.833 302 D CB -1.164 39.693 40.800 0.096 0.000 0.954 302 D HN 0.265 nan 8.370 nan 0.000 0.455 303 G N 1.125 109.957 108.800 0.054 0.000 2.440 303 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 303 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 303 G C 1.744 176.646 174.900 0.003 0.000 1.154 303 G CA 0.557 45.663 45.100 0.010 0.000 0.767 303 G HN 0.280 nan 8.290 nan 0.000 0.552 304 L N -0.647 120.571 121.223 -0.008 0.000 2.017 304 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 304 L C 2.833 179.743 176.870 0.067 0.000 1.073 304 L CA 1.653 56.484 54.840 -0.016 0.000 0.745 304 L CB -0.122 41.862 42.059 -0.124 0.000 0.894 304 L HN 0.229 nan 8.230 nan 0.000 0.432 305 M N -0.636 119.045 119.600 0.135 0.000 2.229 305 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 305 M C 2.021 178.365 176.300 0.073 0.000 1.063 305 M CA 1.751 57.128 55.300 0.128 0.000 1.114 305 M CB -0.423 32.265 32.600 0.147 0.000 1.387 305 M HN 0.353 nan 8.290 nan 0.000 0.420 306 A N -1.378 121.476 122.820 0.056 0.000 2.167 306 A HA 0.411 4.731 4.320 -0.000 0.000 0.214 306 A C 1.687 179.283 177.584 0.021 0.000 1.151 306 A CA 0.842 52.899 52.037 0.034 0.000 0.735 306 A CB -0.941 18.075 19.000 0.027 0.000 0.802 306 A HN 0.723 nan 8.150 nan 0.000 0.467 307 G N -0.873 107.939 108.800 0.019 0.000 2.131 307 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.223 307 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.223 307 G C 0.370 175.267 174.900 -0.004 0.000 0.990 307 G CA 0.515 45.620 45.100 0.008 0.000 0.671 307 G HN 0.551 nan 8.290 nan 0.000 0.521 308 E N -0.655 119.538 120.200 -0.011 0.000 2.482 308 E HA 0.238 4.588 4.350 -0.000 0.000 0.196 308 E C 0.893 177.472 176.600 -0.035 0.000 1.047 308 E CA 0.253 56.639 56.400 -0.023 0.000 0.869 308 E CB 0.287 29.971 29.700 -0.025 0.000 0.836 308 E HN 0.674 nan 8.360 nan 0.000 0.520 309 I N 0.992 121.541 120.570 -0.036 0.000 2.378 309 I HA 0.056 4.226 4.170 -0.000 0.000 0.291 309 I C 0.716 176.826 176.117 -0.012 0.000 0.992 309 I CA -0.374 60.901 61.300 -0.041 0.000 1.154 309 I CB 1.713 39.669 38.000 -0.073 0.000 1.315 309 I HN -0.095 nan 8.210 nan 0.000 0.448 310 D N 5.621 126.029 120.400 0.013 0.000 2.162 310 D HA 0.040 4.680 4.640 -0.000 0.000 0.203 310 D C 0.116 176.448 176.300 0.054 0.000 0.967 310 D CA 1.409 55.432 54.000 0.037 0.000 0.840 310 D CB 0.413 41.253 40.800 0.066 0.000 0.972 310 D HN 0.331 nan 8.370 nan 0.000 0.482 311 L N -2.472 118.800 121.223 0.081 0.000 2.600 311 L HA 0.489 4.829 4.340 -0.000 0.000 0.257 311 L C -1.386 175.522 176.870 0.064 0.000 1.048 311 L CA -1.084 53.806 54.840 0.083 0.000 0.869 311 L CB 1.940 44.077 42.059 0.130 0.000 1.482 311 L HN -0.327 nan 8.230 nan 0.000 0.408 312 I N 1.423 122.020 120.570 0.045 0.000 2.530 312 I HA 0.778 4.948 4.170 -0.000 0.000 0.297 312 I C -0.205 175.942 176.117 0.049 0.000 1.011 312 I CA -0.241 61.074 61.300 0.026 0.000 1.107 312 I CB 1.893 39.885 38.000 -0.013 0.000 1.285 312 I HN 0.999 nan 8.210 nan 0.000 0.436 313 S N 2.004 117.743 115.700 0.065 0.000 2.651 313 S HA 0.425 4.895 4.470 -0.000 0.000 0.279 313 S C 0.491 175.138 174.600 0.078 0.000 1.148 313 S CA -0.167 58.081 58.200 0.080 0.000 0.837 313 S CB 1.851 65.139 63.200 0.146 0.000 1.138 313 S HN 0.640 nan 8.310 nan 0.000 0.478 314 S N -0.114 115.647 115.700 0.102 0.000 2.414 314 S HA 0.052 4.522 4.470 -0.000 0.000 0.227 314 S C 0.591 175.308 174.600 0.196 0.000 1.022 314 S CA 1.058 59.359 58.200 0.167 0.000 0.958 314 S CB -0.936 62.388 63.200 0.207 0.000 0.797 314 S HN 1.171 nan 8.310 nan 0.000 0.493 315 D N 1.298 121.704 120.400 0.011 0.000 2.689 315 D HA -0.247 4.393 4.640 -0.000 0.000 0.237 315 D C -0.286 176.125 176.300 0.184 0.000 1.148 315 D CA 0.597 54.492 54.000 -0.176 0.000 0.656 315 D CB -2.383 38.318 40.800 -0.165 0.000 1.050 315 D HN 0.786 nan 8.370 nan 0.000 0.426 316 H N 0.329 119.487 119.070 0.147 0.000 3.226 316 H HA 0.338 4.894 4.556 -0.000 0.000 0.260 316 H C -0.263 175.252 175.328 0.312 0.000 0.967 316 H CA 1.168 57.323 56.048 0.178 0.000 1.435 316 H CB 0.311 30.177 29.762 0.173 0.000 1.533 316 H HN 0.026 nan 8.280 nan 0.000 0.525 317 S N 7.819 123.472 115.700 -0.078 0.000 2.112 317 S HA 0.269 4.739 4.470 -0.000 0.000 0.151 317 S C -2.784 171.830 174.600 0.022 0.000 1.723 317 S CA -1.316 56.954 58.200 0.117 0.000 1.263 317 S CB 0.089 63.395 63.200 0.176 0.000 1.194 317 S HN 0.625 nan 8.310 nan 0.000 0.419 318 P HA 0.490 nan 4.420 nan 0.000 0.278 318 P C -0.477 176.599 177.300 -0.373 0.000 1.266 318 P CA -0.273 62.701 63.100 -0.210 0.000 0.807 318 P CB 1.370 32.978 31.700 -0.153 0.000 1.094 319 S N -0.890 114.440 115.700 -0.616 0.000 2.790 319 S HA 0.493 4.963 4.470 -0.000 0.000 0.292 319 S C -0.459 173.550 174.600 -0.985 0.000 1.197 319 S CA -0.969 56.380 58.200 -1.418 0.000 0.851 319 S CB 0.211 62.353 63.200 -1.763 0.000 1.217 319 S HN 0.244 nan 8.310 nan 0.000 0.526 320 L N 1.729 122.266 121.223 -1.143 0.000 2.426 320 L HA 0.283 4.623 4.340 -0.000 0.000 0.271 320 L C -1.549 174.938 176.870 -0.638 0.000 1.169 320 L CA -1.790 52.586 54.840 -0.773 0.000 0.836 320 L CB 0.431 42.210 42.059 -0.466 0.000 1.112 320 L HN 0.555 nan 8.230 nan 0.000 0.465 321 P HA -0.235 nan 4.420 nan 0.000 0.216 321 P C 1.341 178.502 177.300 -0.231 0.000 1.150 321 P CA 1.131 64.023 63.100 -0.347 0.000 0.843 321 P CB 0.038 31.580 31.700 -0.263 0.000 0.787 322 Q N -0.942 118.727 119.800 -0.218 0.000 2.291 322 Q HA -0.093 4.247 4.340 -0.000 0.000 0.205 322 Q C 1.788 177.696 176.000 -0.154 0.000 0.970 322 Q CA 1.340 57.055 55.803 -0.146 0.000 0.876 322 Q CB -0.934 27.735 28.738 -0.115 0.000 0.935 322 Q HN 0.311 nan 8.270 nan 0.000 0.455 323 M N 0.170 119.628 119.600 -0.237 0.000 2.476 323 M HA -0.004 4.476 4.480 -0.000 0.000 0.262 323 M C 1.361 177.569 176.300 -0.154 0.000 1.079 323 M CA 0.953 56.115 55.300 -0.230 0.000 1.104 323 M CB 0.206 32.542 32.600 -0.441 0.000 1.409 323 M HN -0.040 nan 8.290 nan 0.000 0.467 324 K N 0.607 120.916 120.400 -0.150 0.000 2.444 324 K HA 0.036 4.356 4.320 -0.000 0.000 0.193 324 K C 0.112 176.707 176.600 -0.009 0.000 1.024 324 K CA 0.466 56.705 56.287 -0.081 0.000 1.077 324 K CB 0.105 32.560 32.500 -0.075 0.000 0.833 324 K HN 0.213 nan 8.250 nan 0.000 0.517 325 T N -2.009 112.529 114.554 -0.027 0.000 3.155 325 T HA 0.635 4.985 4.350 -0.000 0.000 0.384 325 T C 0.423 175.110 174.700 -0.021 0.000 1.351 325 T CA -0.906 61.228 62.100 0.056 0.000 1.198 325 T CB 1.209 70.107 68.868 0.051 0.000 1.106 325 T HN 0.070 nan 8.240 nan 0.000 0.564 326 G N 1.361 110.077 108.800 -0.140 0.000 2.702 326 G HA2 0.435 4.395 3.960 -0.000 0.000 0.254 326 G HA3 0.435 4.395 3.960 -0.000 0.000 0.254 326 G C 0.607 175.477 174.900 -0.049 0.000 1.380 326 G CA -0.814 44.202 45.100 -0.141 0.000 1.042 326 G HN 0.575 nan 8.290 nan 0.000 0.557 327 K N -1.321 119.051 120.400 -0.047 0.000 2.020 327 K HA 0.053 4.373 4.320 -0.000 0.000 0.206 327 K C 1.253 177.886 176.600 0.054 0.000 1.038 327 K CA 1.570 57.869 56.287 0.021 0.000 0.947 327 K CB -0.329 32.179 32.500 0.013 0.000 0.744 327 K HN 0.583 nan 8.250 nan 0.000 0.442 328 T N -2.054 112.490 114.554 -0.016 0.000 2.927 328 T HA 0.194 4.544 4.350 -0.000 0.000 0.286 328 T C 1.121 175.694 174.700 -0.212 0.000 1.040 328 T CA -0.726 61.376 62.100 0.004 0.000 1.010 328 T CB 1.122 70.043 68.868 0.088 0.000 1.177 328 T HN 0.109 nan 8.240 nan 0.000 0.546 329 I N -0.066 120.369 120.570 -0.225 0.000 2.248 329 I HA -0.044 4.126 4.170 -0.000 0.000 0.248 329 I C 1.492 177.215 176.117 -0.657 0.000 1.107 329 I CA 1.430 62.423 61.300 -0.512 0.000 1.373 329 I CB -0.689 36.976 38.000 -0.559 0.000 1.055 329 I HN 0.701 nan 8.210 nan 0.000 0.418 330 F N 0.027 119.845 119.950 -0.222 0.000 2.661 330 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 330 F C 2.366 178.062 175.800 -0.175 0.000 1.137 330 F CA 0.792 58.690 58.000 -0.171 0.000 1.454 330 F CB -0.486 38.485 39.000 -0.048 0.000 1.103 330 F HN 0.111 nan 8.300 nan 0.000 0.577 331 E N -0.062 120.095 120.200 -0.071 0.000 2.250 331 E HA 0.034 4.384 4.350 -0.000 0.000 0.192 331 E C 0.380 176.881 176.600 -0.166 0.000 0.986 331 E CA 0.188 56.534 56.400 -0.089 0.000 0.849 331 E CB 0.288 29.933 29.700 -0.092 0.000 0.797 331 E HN -0.010 nan 8.360 nan 0.000 0.482 332 V N 1.373 121.090 119.914 -0.328 0.000 2.686 332 V HA -0.016 4.104 4.120 -0.000 0.000 0.295 332 V C -0.227 175.748 176.094 -0.198 0.000 1.055 332 V CA -0.235 61.855 62.300 -0.349 0.000 1.050 332 V CB 0.596 32.024 31.823 -0.658 0.000 0.984 332 V HN 0.289 nan 8.190 nan 0.000 0.482 333 W N 4.099 125.238 121.300 -0.268 0.000 2.446 333 W HA 0.512 5.172 4.660 -0.000 0.000 0.316 333 W C 0.773 177.148 176.519 -0.239 0.000 1.376 333 W CA -0.068 57.138 57.345 -0.230 0.000 1.300 333 W CB 0.466 29.767 29.460 -0.265 0.000 1.351 333 W HN 0.739 nan 8.180 nan 0.000 0.530 334 G N 3.520 111.899 108.800 -0.703 0.000 2.372 334 G HA2 0.619 4.579 3.960 -0.000 0.000 0.283 334 G HA3 0.619 4.579 3.960 -0.000 0.000 0.283 334 G C -0.394 174.028 174.900 -0.797 0.000 1.177 334 G CA 0.072 44.822 45.100 -0.584 0.000 0.842 334 G HN 1.030 nan 8.290 nan 0.000 0.503 335 G N -0.107 108.456 108.800 -0.395 0.000 2.368 335 G HA2 0.375 4.335 3.960 -0.000 0.000 0.303 335 G HA3 0.375 4.335 3.960 -0.000 0.000 0.303 335 G C -1.493 173.301 174.900 -0.177 0.000 1.590 335 G CA -0.919 44.033 45.100 -0.247 0.000 0.938 335 G HN 0.729 nan 8.290 nan 0.000 0.675 336 I N 1.099 121.536 120.570 -0.223 0.000 2.466 336 I HA 0.600 4.770 4.170 -0.000 0.000 0.289 336 I C 0.634 176.641 176.117 -0.182 0.000 1.026 336 I CA -0.928 60.206 61.300 -0.277 0.000 1.078 336 I CB 2.137 39.794 38.000 -0.571 0.000 1.249 336 I HN 0.835 nan 8.210 nan 0.000 0.429 337 A N 4.159 126.868 122.820 -0.185 0.000 2.354 337 A HA 0.653 4.973 4.320 -0.000 0.000 0.281 337 A C 0.801 178.457 177.584 0.120 0.000 1.174 337 A CA 0.268 52.155 52.037 -0.250 0.000 0.828 337 A CB 0.018 18.810 19.000 -0.346 0.000 1.099 337 A HN 1.026 nan 8.150 nan 0.000 0.516 338 G N 0.252 109.294 108.800 0.403 0.000 3.912 338 G HA2 0.036 3.996 3.960 -0.000 0.000 0.203 338 G HA3 0.036 3.996 3.960 -0.000 0.000 0.203 338 G C 1.041 176.224 174.900 0.472 0.000 1.112 338 G CA 0.754 46.231 45.100 0.629 0.000 0.871 338 G HN 1.340 nan 8.290 nan 0.000 0.549 339 C N -0.446 119.070 119.300 0.360 0.000 2.437 339 C HA 0.114 4.574 4.460 -0.000 0.000 0.283 339 C C 2.181 177.259 174.990 0.146 0.000 1.424 339 C CA 1.246 60.366 59.018 0.171 0.000 1.782 339 C CB -0.779 26.963 27.740 0.004 0.000 1.833 339 C HN 0.444 nan 8.230 nan 0.000 0.532 340 Q N 1.195 121.157 119.800 0.270 0.000 2.378 340 Q HA 0.022 4.362 4.340 -0.000 0.000 0.205 340 Q C 0.999 176.991 176.000 -0.013 0.000 0.954 340 Q CA 1.225 57.064 55.803 0.060 0.000 0.901 340 Q CB -0.075 28.624 28.738 -0.066 0.000 0.981 340 Q HN 0.888 nan 8.270 nan 0.000 0.483 341 N N -1.681 117.019 118.700 0.000 0.000 2.177 341 N HA 0.084 4.824 4.740 -0.000 0.000 0.218 341 N C 0.593 175.889 175.510 -0.356 0.000 1.182 341 N CA 0.042 52.955 53.050 -0.229 0.000 0.882 341 N CB 0.882 39.234 38.487 -0.224 0.000 1.052 341 N HN -0.033 nan 8.380 nan 0.000 0.519 342 T N 1.108 115.557 114.554 -0.175 0.000 2.701 342 T HA -0.093 4.257 4.350 -0.000 0.000 0.263 342 T C 1.769 176.370 174.700 -0.165 0.000 1.040 342 T CA 0.824 62.842 62.100 -0.136 0.000 1.147 342 T CB -0.142 68.707 68.868 -0.030 0.000 0.865 342 T HN 0.125 nan 8.240 nan 0.000 0.426 343 L N 1.536 122.661 121.223 -0.164 0.000 2.042 343 L HA 0.026 4.366 4.340 -0.000 0.000 0.210 343 L C 2.581 179.305 176.870 -0.243 0.000 1.076 343 L CA 1.999 56.733 54.840 -0.177 0.000 0.749 343 L CB -1.098 40.843 42.059 -0.196 0.000 0.893 343 L HN 0.227 nan 8.230 nan 0.000 0.432 344 A N -1.194 121.400 122.820 -0.375 0.000 1.902 344 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 344 A C 2.285 179.451 177.584 -0.697 0.000 1.181 344 A CA 2.045 53.715 52.037 -0.612 0.000 0.623 344 A CB -1.149 17.247 19.000 -1.006 0.000 0.818 344 A HN 0.313 nan 8.150 nan 0.000 0.443 345 V N -0.012 119.526 119.914 -0.627 0.000 2.343 345 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 345 V C 2.706 178.789 176.094 -0.020 0.000 1.051 345 V CA 2.070 64.222 62.300 -0.245 0.000 1.036 345 V CB -0.643 31.047 31.823 -0.223 0.000 0.654 345 V HN 0.507 nan 8.190 nan 0.000 0.451 346 M N -0.535 119.049 119.600 -0.028 0.000 2.132 346 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 346 M C 2.212 178.585 176.300 0.122 0.000 1.065 346 M CA 1.823 57.185 55.300 0.104 0.000 1.122 346 M CB -1.265 31.376 32.600 0.069 0.000 1.365 346 M HN 0.279 nan 8.290 nan 0.000 0.411 347 L N -0.872 120.376 121.223 0.042 0.000 2.083 347 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 347 L C 2.416 179.422 176.870 0.226 0.000 1.083 347 L CA 1.226 56.124 54.840 0.096 0.000 0.752 347 L CB -1.458 40.615 42.059 0.024 0.000 0.899 347 L HN 0.265 nan 8.230 nan 0.000 0.433 348 T N -1.211 113.459 114.554 0.194 0.000 2.732 348 T HA -0.099 4.251 4.350 -0.000 0.000 0.261 348 T C 1.867 176.665 174.700 0.164 0.000 1.040 348 T CA 1.014 63.264 62.100 0.251 0.000 1.145 348 T CB -0.063 68.981 68.868 0.293 0.000 0.866 348 T HN 0.221 nan 8.240 nan 0.000 0.427 349 E N 0.526 120.803 120.200 0.128 0.000 2.076 349 E HA 0.050 4.400 4.350 -0.000 0.000 0.190 349 E C 2.436 178.912 176.600 -0.206 0.000 0.979 349 E CA 0.891 57.297 56.400 0.011 0.000 0.807 349 E CB -0.442 29.355 29.700 0.162 0.000 0.761 349 E HN 0.504 nan 8.360 nan 0.000 0.454 350 G N -0.102 108.693 108.800 -0.008 0.000 2.456 350 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.213 350 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.213 350 G C 1.585 176.469 174.900 -0.026 0.000 1.215 350 G CA 0.556 45.624 45.100 -0.052 0.000 0.805 350 G HN 0.291 nan 8.290 nan 0.000 0.537 351 Y N 0.501 120.754 120.300 -0.078 0.000 2.133 351 Y HA -0.120 4.430 4.550 -0.000 0.000 0.287 351 Y C 3.018 178.786 175.900 -0.220 0.000 1.134 351 Y CA 2.200 60.196 58.100 -0.174 0.000 1.133 351 Y CB -0.006 38.297 38.460 -0.262 0.000 0.987 351 Y HN 0.243 nan 8.280 nan 0.000 0.502 352 H N -0.239 118.748 119.070 -0.139 0.000 2.384 352 H HA -0.037 4.519 4.556 -0.000 0.000 0.300 352 H C 2.078 177.286 175.328 -0.199 0.000 1.057 352 H CA 1.520 57.426 56.048 -0.235 0.000 1.370 352 H CB -0.042 29.679 29.762 -0.069 0.000 1.417 352 H HN 0.329 nan 8.280 nan 0.000 0.527 353 K N 0.967 121.335 120.400 -0.053 0.000 2.099 353 K HA 0.015 4.335 4.320 -0.000 0.000 0.203 353 K C 1.731 178.219 176.600 -0.188 0.000 1.047 353 K CA 0.473 56.692 56.287 -0.114 0.000 0.963 353 K CB 0.406 32.832 32.500 -0.122 0.000 0.759 353 K HN 0.066 nan 8.250 nan 0.000 0.451 354 R N 0.258 120.596 120.500 -0.270 0.000 2.362 354 R HA 0.136 4.476 4.340 -0.000 0.000 0.227 354 R C -0.229 175.952 176.300 -0.198 0.000 0.905 354 R CA 0.067 55.984 56.100 -0.306 0.000 1.067 354 R CB 0.412 30.359 30.300 -0.589 0.000 1.078 354 R HN 0.079 nan 8.270 nan 0.000 0.516 355 K N 1.101 121.389 120.400 -0.186 0.000 3.117 355 K HA -0.183 4.137 4.320 -0.000 0.000 0.269 355 K C -0.013 176.558 176.600 -0.048 0.000 1.098 355 K CA 0.747 56.941 56.287 -0.155 0.000 0.785 355 K CB -1.372 31.051 32.500 -0.129 0.000 1.242 355 K HN 0.365 nan 8.250 nan 0.000 0.491 356 M N 0.024 119.628 119.600 0.008 0.000 2.245 356 M HA 0.260 4.740 4.480 -0.000 0.000 0.344 356 M C -2.172 174.230 176.300 0.169 0.000 1.170 356 M CA -1.096 54.270 55.300 0.110 0.000 1.135 356 M CB 0.509 33.227 32.600 0.198 0.000 1.574 356 M HN -0.240 nan 8.290 nan 0.000 0.452 357 P HA 0.076 nan 4.420 nan 0.000 0.274 357 P C 0.187 177.553 177.300 0.110 0.000 1.231 357 P CA -0.500 62.684 63.100 0.141 0.000 0.790 357 P CB 0.618 32.364 31.700 0.077 0.000 0.951 358 L N 2.272 123.513 121.223 0.030 0.000 2.131 358 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 358 L C 2.130 178.916 176.870 -0.139 0.000 1.092 358 L CA 2.365 57.118 54.840 -0.145 0.000 0.759 358 L CB -1.606 40.262 42.059 -0.319 0.000 0.903 358 L HN 0.471 nan 8.230 nan 0.000 0.435 359 T N -4.103 110.391 114.554 -0.099 0.000 2.867 359 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 359 T C 1.783 176.462 174.700 -0.035 0.000 1.057 359 T CA 1.263 63.306 62.100 -0.095 0.000 1.136 359 T CB -0.361 68.477 68.868 -0.051 0.000 0.874 359 T HN 0.431 nan 8.240 nan 0.000 0.466 360 Q N 0.348 120.155 119.800 0.011 0.000 2.230 360 Q HA 0.068 4.408 4.340 -0.000 0.000 0.202 360 Q C 2.211 178.245 176.000 0.057 0.000 0.963 360 Q CA 0.795 56.622 55.803 0.039 0.000 0.866 360 Q CB -0.270 28.507 28.738 0.066 0.000 0.931 360 Q HN 0.647 nan 8.270 nan 0.000 0.452 361 I N -0.311 120.305 120.570 0.077 0.000 2.315 361 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 361 I C 2.080 178.270 176.117 0.121 0.000 1.117 361 I CA 0.573 61.944 61.300 0.120 0.000 1.404 361 I CB -0.110 38.000 38.000 0.184 0.000 1.071 361 I HN 0.047 nan 8.210 nan 0.000 0.419 362 V N 0.381 120.340 119.914 0.074 0.000 2.343 362 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 362 V C 2.474 178.598 176.094 0.049 0.000 1.051 362 V CA 1.797 64.130 62.300 0.055 0.000 1.036 362 V CB -0.702 31.079 31.823 -0.071 0.000 0.654 362 V HN 0.485 nan 8.190 nan 0.000 0.451 363 Q N -0.362 119.455 119.800 0.030 0.000 2.030 363 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 363 Q C 2.235 178.253 176.000 0.030 0.000 0.986 363 Q CA 1.850 57.667 55.803 0.024 0.000 0.843 363 Q CB -0.104 28.642 28.738 0.013 0.000 0.904 363 Q HN 0.588 nan 8.270 nan 0.000 0.420 364 L N -0.203 121.042 121.223 0.037 0.000 2.240 364 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 364 L C 1.713 178.607 176.870 0.039 0.000 1.106 364 L CA 0.252 55.113 54.840 0.034 0.000 0.793 364 L CB 0.060 42.134 42.059 0.025 0.000 0.927 364 L HN 0.207 nan 8.230 nan 0.000 0.446 365 L N -2.227 119.025 121.223 0.047 0.000 2.590 365 L HA 0.128 4.468 4.340 -0.000 0.000 0.227 365 L C 1.957 178.847 176.870 0.034 0.000 1.099 365 L CA 0.741 55.605 54.840 0.039 0.000 0.872 365 L CB 0.581 42.666 42.059 0.044 0.000 1.088 365 L HN 0.076 nan 8.230 nan 0.000 0.479 366 S N -2.516 113.215 115.700 0.051 0.000 3.472 366 S HA 0.005 4.475 4.470 -0.000 0.000 0.247 366 S C 1.682 176.325 174.600 0.072 0.000 1.084 366 S CA 0.709 58.943 58.200 0.056 0.000 0.795 366 S CB -0.179 63.074 63.200 0.087 0.000 0.892 366 S HN 0.210 nan 8.310 nan 0.000 0.513 367 T N 2.259 116.862 114.554 0.080 0.000 2.770 367 T HA 0.092 4.442 4.350 -0.000 0.000 0.263 367 T C 1.685 176.403 174.700 0.031 0.000 1.039 367 T CA 1.058 63.220 62.100 0.103 0.000 1.142 367 T CB -0.334 68.590 68.868 0.093 0.000 0.868 367 T HN 0.239 nan 8.240 nan 0.000 0.435 368 E N 0.677 120.879 120.200 0.003 0.000 2.107 368 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 368 E C -0.556 176.073 176.600 0.049 0.000 0.982 368 E CA 0.976 57.367 56.400 -0.016 0.000 0.809 368 E CB -1.256 28.439 29.700 -0.008 0.000 0.756 368 E HN 0.319 nan 8.360 nan 0.000 0.459 369 P HA -0.167 nan 4.420 nan 0.000 0.216 369 P C 1.119 178.555 177.300 0.226 0.000 1.150 369 P CA 2.201 65.387 63.100 0.143 0.000 0.843 369 P CB -0.079 31.618 31.700 -0.004 0.000 0.787 370 A N -0.389 122.524 122.820 0.154 0.000 1.873 370 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 370 A C 2.128 179.830 177.584 0.197 0.000 1.186 370 A CA 1.591 53.753 52.037 0.209 0.000 0.616 370 A CB -0.971 18.167 19.000 0.231 0.000 0.823 370 A HN 0.103 nan 8.150 nan 0.000 0.442 371 K N -0.897 119.543 120.400 0.067 0.000 2.032 371 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 371 K C 2.331 178.896 176.600 -0.058 0.000 1.048 371 K CA 1.652 57.898 56.287 -0.068 0.000 0.927 371 K CB -0.175 32.157 32.500 -0.280 0.000 0.712 371 K HN 0.271 nan 8.250 nan 0.000 0.441 372 R N 0.529 120.971 120.500 -0.097 0.000 2.120 372 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 372 R C 0.904 176.890 176.300 -0.523 0.000 1.123 372 R CA 1.470 57.369 56.100 -0.335 0.000 0.975 372 R CB -0.150 29.870 30.300 -0.466 0.000 0.866 372 R HN 0.112 nan 8.270 nan 0.000 0.446 373 F N -1.038 118.931 119.950 0.032 0.000 2.708 373 F HA 0.373 4.900 4.527 -0.000 0.000 0.300 373 F C 1.223 177.014 175.800 -0.016 0.000 1.118 373 F CA 0.145 58.146 58.000 0.001 0.000 1.307 373 F CB 0.886 39.917 39.000 0.052 0.000 0.986 373 F HN 0.197 nan 8.300 nan 0.000 0.522 374 G N 0.885 109.749 108.800 0.107 0.000 2.147 374 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 374 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 374 G C 0.482 175.436 174.900 0.090 0.000 1.005 374 G CA 0.289 45.435 45.100 0.078 0.000 0.713 374 G HN 0.440 nan 8.290 nan 0.000 0.515 375 L N -0.797 120.511 121.223 0.141 0.000 2.910 375 L HA 0.430 4.770 4.340 -0.000 0.000 0.252 375 L C 0.452 177.405 176.870 0.138 0.000 1.195 375 L CA -0.589 54.318 54.840 0.112 0.000 1.003 375 L CB 0.268 42.403 42.059 0.125 0.000 1.328 375 L HN 0.303 nan 8.230 nan 0.000 0.540 376 Y N 2.104 122.419 120.300 0.025 0.000 2.409 376 Y HA 0.436 4.986 4.550 -0.000 0.000 0.339 376 Y C -1.511 174.396 175.900 0.010 0.000 1.033 376 Y CA -1.707 56.404 58.100 0.019 0.000 1.094 376 Y CB 1.669 40.142 38.460 0.022 0.000 1.210 376 Y HN -0.087 nan 8.280 nan 0.000 0.456 377 P HA 0.005 nan 4.420 nan 0.000 0.257 377 P C 0.623 177.705 177.300 -0.363 0.000 1.325 377 P CA 0.414 62.973 63.100 -0.902 0.000 0.850 377 P CB 0.414 31.635 31.700 -0.799 0.000 1.324 378 Q N 1.174 120.869 119.800 -0.175 0.000 2.045 378 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 378 Q C 0.311 176.266 176.000 -0.076 0.000 0.991 378 Q CA 1.383 57.126 55.803 -0.099 0.000 0.851 378 Q CB 0.098 28.799 28.738 -0.062 0.000 0.911 378 Q HN 0.307 nan 8.270 nan 0.000 0.418 379 K N -2.166 118.213 120.400 -0.036 0.000 2.211 379 K HA 0.447 4.767 4.320 -0.000 0.000 0.237 379 K C 0.255 176.889 176.600 0.057 0.000 1.002 379 K CA -0.002 56.286 56.287 0.003 0.000 0.885 379 K CB 1.428 33.940 32.500 0.020 0.000 1.136 379 K HN 0.307 nan 8.250 nan 0.000 0.448 380 G N 0.418 109.267 108.800 0.081 0.000 2.162 380 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 380 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 380 G C -0.028 174.956 174.900 0.141 0.000 0.976 380 G CA 0.727 45.914 45.100 0.144 0.000 0.655 380 G HN 0.764 nan 8.290 nan 0.000 0.533 381 T N -2.085 112.511 114.554 0.071 0.000 2.916 381 T HA 0.694 5.044 4.350 -0.000 0.000 0.305 381 T C -0.506 174.242 174.700 0.080 0.000 1.119 381 T CA -0.845 61.286 62.100 0.051 0.000 1.008 381 T CB 2.243 71.079 68.868 -0.055 0.000 1.129 381 T HN 0.597 nan 8.240 nan 0.000 0.480 382 I N 3.496 124.115 120.570 0.082 0.000 2.337 382 I HA 0.425 4.595 4.170 -0.000 0.000 0.285 382 I C 0.067 176.221 176.117 0.063 0.000 1.041 382 I CA -0.326 61.031 61.300 0.094 0.000 1.199 382 I CB 0.592 38.599 38.000 0.012 0.000 1.370 382 I HN 0.761 nan 8.210 nan 0.000 0.470 383 Q N 4.167 123.999 119.800 0.055 0.000 2.522 383 Q HA 0.461 4.801 4.340 -0.000 0.000 0.285 383 Q C -1.459 174.555 176.000 0.023 0.000 0.982 383 Q CA -1.029 54.792 55.803 0.030 0.000 0.805 383 Q CB 2.079 30.818 28.738 0.001 0.000 1.457 383 Q HN 0.138 nan 8.270 nan 0.000 0.394 384 V N 1.694 121.616 119.914 0.013 0.000 2.617 384 V HA 0.252 4.372 4.120 -0.000 0.000 0.304 384 V C 1.415 177.510 176.094 0.002 0.000 1.040 384 V CA 2.319 64.627 62.300 0.012 0.000 1.149 384 V CB 0.118 31.947 31.823 0.009 0.000 0.914 384 V HN 1.122 nan 8.190 nan 0.000 0.487 385 G N 3.648 112.453 108.800 0.008 0.000 2.279 385 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.223 385 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.223 385 G C 0.449 175.339 174.900 -0.017 0.000 1.015 385 G CA 0.169 45.265 45.100 -0.006 0.000 0.621 385 G HN 1.498 nan 8.290 nan 0.000 0.506 386 A N 0.510 123.321 122.820 -0.016 0.000 2.304 386 A HA 0.636 4.956 4.320 -0.000 0.000 0.271 386 A C 0.543 178.114 177.584 -0.021 0.000 1.091 386 A CA 0.694 52.713 52.037 -0.031 0.000 0.812 386 A CB 0.386 19.367 19.000 -0.032 0.000 1.056 386 A HN 0.810 nan 8.150 nan 0.000 0.489 387 E N 0.923 121.092 120.200 -0.051 0.000 2.529 387 E HA 0.196 4.546 4.350 -0.000 0.000 0.259 387 E C 0.350 176.872 176.600 -0.130 0.000 0.966 387 E CA 0.232 56.581 56.400 -0.084 0.000 0.937 387 E CB 0.370 30.011 29.700 -0.099 0.000 0.923 387 E HN 0.661 nan 8.360 nan 0.000 0.468 388 A N 4.478 127.183 122.820 -0.191 0.000 3.077 388 A HA 0.157 4.477 4.320 -0.000 0.000 0.255 388 A C -0.494 176.536 177.584 -0.923 0.000 1.728 388 A CA -0.249 51.530 52.037 -0.430 0.000 1.383 388 A CB -0.041 18.841 19.000 -0.198 0.000 1.097 388 A HN 0.348 nan 8.150 nan 0.000 0.634 389 S N 1.137 116.361 115.700 -0.793 0.000 2.566 389 S HA 0.780 5.250 4.470 -0.000 0.000 0.324 389 S C -0.657 173.627 174.600 -0.526 0.000 1.081 389 S CA -0.398 57.430 58.200 -0.619 0.000 1.105 389 S CB 0.193 63.236 63.200 -0.262 0.000 0.981 389 S HN 0.572 nan 8.310 nan 0.000 0.464 390 F N -0.620 119.329 119.950 -0.003 0.000 2.779 390 F HA 0.820 5.347 4.527 -0.000 0.000 0.316 390 F C -0.305 175.506 175.800 0.017 0.000 1.164 390 F CA -1.105 56.905 58.000 0.016 0.000 0.924 390 F CB 1.544 40.551 39.000 0.011 0.000 1.348 390 F HN 0.317 nan 8.300 nan 0.000 0.467 391 T N 1.047 115.790 114.554 0.315 0.000 2.933 391 T HA 0.669 5.019 4.350 -0.000 0.000 0.305 391 T C -1.818 172.981 174.700 0.166 0.000 1.092 391 T CA -0.539 61.672 62.100 0.185 0.000 1.008 391 T CB 1.386 70.304 68.868 0.083 0.000 1.102 391 T HN 0.719 nan 8.240 nan 0.000 0.469 392 L N 4.704 126.012 121.223 0.142 0.000 2.296 392 L HA 0.667 5.007 4.340 -0.000 0.000 0.286 392 L C -0.854 176.071 176.870 0.091 0.000 1.023 392 L CA -0.815 54.102 54.840 0.128 0.000 0.812 392 L CB 1.435 43.578 42.059 0.140 0.000 1.223 392 L HN 0.575 nan 8.230 nan 0.000 0.421 393 I N 2.587 123.199 120.570 0.070 0.000 2.466 393 I HA 0.215 4.385 4.170 -0.000 0.000 0.289 393 I C -0.238 175.934 176.117 0.091 0.000 1.026 393 I CA -0.327 60.974 61.300 0.001 0.000 1.078 393 I CB 1.951 39.816 38.000 -0.225 0.000 1.249 393 I HN 0.425 nan 8.210 nan 0.000 0.429 394 D N 6.609 127.058 120.400 0.082 0.000 2.374 394 D HA 0.146 4.786 4.640 -0.000 0.000 0.240 394 D C 1.096 177.468 176.300 0.119 0.000 1.229 394 D CA 0.147 54.219 54.000 0.120 0.000 0.895 394 D CB 0.948 41.808 40.800 0.099 0.000 1.046 394 D HN 0.513 nan 8.370 nan 0.000 0.498 395 L N 3.332 124.635 121.223 0.134 0.000 2.187 395 L HA -0.153 4.187 4.340 -0.000 0.000 0.213 395 L C 1.358 178.398 176.870 0.284 0.000 1.100 395 L CA 0.843 55.763 54.840 0.134 0.000 0.765 395 L CB -0.117 41.951 42.059 0.016 0.000 0.904 395 L HN 0.377 nan 8.230 nan 0.000 0.437 396 N N -0.361 118.462 118.700 0.205 0.000 2.234 396 N HA 0.026 4.766 4.740 -0.000 0.000 0.227 396 N C -0.013 175.559 175.510 0.102 0.000 1.151 396 N CA 0.038 53.172 53.050 0.140 0.000 0.865 396 N CB 0.607 39.172 38.487 0.130 0.000 1.066 396 N HN 0.313 nan 8.380 nan 0.000 0.515 397 E N 1.292 121.578 120.200 0.142 0.000 2.166 397 E HA 0.132 4.482 4.350 -0.000 0.000 0.279 397 E C -0.611 176.141 176.600 0.253 0.000 1.095 397 E CA -0.037 56.460 56.400 0.162 0.000 0.888 397 E CB 0.485 30.267 29.700 0.136 0.000 1.041 397 E HN -0.079 nan 8.360 nan 0.000 0.414 398 S N 3.630 119.443 115.700 0.188 0.000 2.562 398 S HA 0.435 4.905 4.470 -0.000 0.000 0.275 398 S C -1.151 173.633 174.600 0.308 0.000 1.281 398 S CA -0.424 57.880 58.200 0.173 0.000 1.045 398 S CB 0.388 63.623 63.200 0.058 0.000 0.962 398 S HN 0.508 nan 8.310 nan 0.000 0.503 399 Y N -1.519 118.822 120.300 0.069 0.000 2.604 399 Y HA 0.518 5.068 4.550 -0.000 0.000 0.331 399 Y C -0.966 174.962 175.900 0.048 0.000 1.158 399 Y CA -1.164 56.976 58.100 0.066 0.000 1.056 399 Y CB 0.187 38.699 38.460 0.087 0.000 1.330 399 Y HN 0.349 nan 8.280 nan 0.000 0.457 400 T N 4.225 118.829 114.554 0.082 0.000 2.744 400 T HA 0.371 4.721 4.350 -0.000 0.000 0.291 400 T C -0.582 174.186 174.700 0.113 0.000 0.957 400 T CA -0.405 61.680 62.100 -0.026 0.000 1.002 400 T CB 0.726 69.585 68.868 -0.016 0.000 0.919 400 T HN 0.737 nan 8.240 nan 0.000 0.468 401 L N 6.580 127.836 121.223 0.054 0.000 2.456 401 L HA 0.252 4.592 4.340 -0.000 0.000 0.277 401 L C 0.422 177.359 176.870 0.112 0.000 1.124 401 L CA 0.056 55.019 54.840 0.204 0.000 0.880 401 L CB -0.222 42.007 42.059 0.282 0.000 1.192 401 L HN 0.616 nan 8.230 nan 0.000 0.463 402 N N 3.825 122.589 118.700 0.107 0.000 2.459 402 N HA 0.371 5.111 4.740 -0.000 0.000 0.288 402 N C 0.582 176.126 175.510 0.057 0.000 1.186 402 N CA -0.252 52.837 53.050 0.065 0.000 0.917 402 N CB 1.325 39.837 38.487 0.043 0.000 1.219 402 N HN 0.543 nan 8.380 nan 0.000 0.525 403 A N 0.769 123.615 122.820 0.044 0.000 2.076 403 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 403 A C 1.952 179.530 177.584 -0.011 0.000 1.160 403 A CA 1.335 53.394 52.037 0.036 0.000 0.653 403 A CB -0.764 18.261 19.000 0.040 0.000 0.801 403 A HN 0.702 nan 8.150 nan 0.000 0.455 404 S N 0.437 116.124 115.700 -0.022 0.000 2.447 404 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 404 S C 1.067 175.592 174.600 -0.125 0.000 1.006 404 S CA 1.202 59.365 58.200 -0.061 0.000 0.957 404 S CB -0.235 62.944 63.200 -0.036 0.000 0.773 404 S HN 0.635 nan 8.310 nan 0.000 0.507 405 D N 1.127 121.469 120.400 -0.098 0.000 2.305 405 D HA 0.141 4.781 4.640 -0.000 0.000 0.206 405 D C 0.376 176.516 176.300 -0.267 0.000 0.974 405 D CA 0.209 54.124 54.000 -0.142 0.000 0.871 405 D CB -0.127 40.666 40.800 -0.010 0.000 0.947 405 D HN 0.345 nan 8.370 nan 0.000 0.516 406 L N 1.002 122.084 121.223 -0.236 0.000 2.410 406 L HA 0.061 4.401 4.340 -0.000 0.000 0.273 406 L C 0.707 177.328 176.870 -0.414 0.000 1.152 406 L CA -0.268 54.362 54.840 -0.350 0.000 0.855 406 L CB 0.493 42.387 42.059 -0.276 0.000 1.129 406 L HN -0.074 nan 8.230 nan 0.000 0.463 407 Y N 1.304 121.372 120.300 -0.388 0.000 2.466 407 Y HA 0.079 4.629 4.550 -0.000 0.000 0.272 407 Y C 0.314 176.130 175.900 -0.141 0.000 1.169 407 Y CA -0.498 57.467 58.100 -0.225 0.000 1.285 407 Y CB -0.117 38.221 38.460 -0.204 0.000 1.078 407 Y HN 0.369 nan 8.280 nan 0.000 0.523 408 Y N 0.370 120.723 120.300 0.088 0.000 2.683 408 Y HA -0.063 4.487 4.550 -0.000 0.000 0.340 408 Y C 1.906 177.799 175.900 -0.012 0.000 1.245 408 Y CA -0.625 57.511 58.100 0.059 0.000 1.485 408 Y CB 0.300 38.856 38.460 0.159 0.000 1.328 408 Y HN 0.013 nan 8.280 nan 0.000 0.603 409 R N 0.357 120.902 120.500 0.076 0.000 2.091 409 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 409 R C -0.340 175.787 176.300 -0.289 0.000 1.136 409 R CA 1.282 57.282 56.100 -0.167 0.000 0.959 409 R CB -0.100 30.015 30.300 -0.307 0.000 0.856 409 R HN 0.673 nan 8.270 nan 0.000 0.437 410 H N 0.565 119.713 119.070 0.129 0.000 2.581 410 H HA 0.203 4.759 4.556 -0.000 0.000 0.308 410 H C -2.132 173.295 175.328 0.164 0.000 1.040 410 H CA -2.708 53.397 56.048 0.094 0.000 1.231 410 H CB 1.558 31.336 29.762 0.027 0.000 1.396 410 H HN 0.153 nan 8.280 nan 0.000 0.467 411 P HA 0.121 nan 4.420 nan 0.000 0.231 411 P C -0.384 177.023 177.300 0.177 0.000 1.756 411 P CA 0.027 63.234 63.100 0.178 0.000 0.990 411 P CB -0.836 30.907 31.700 0.071 0.000 1.973 412 I N -1.683 119.022 120.570 0.225 0.000 2.466 412 I HA 0.651 4.821 4.170 -0.000 0.000 0.289 412 I C -0.159 176.067 176.117 0.181 0.000 1.026 412 I CA -0.809 60.577 61.300 0.144 0.000 1.078 412 I CB 2.296 40.332 38.000 0.060 0.000 1.249 412 I HN -0.112 nan 8.210 nan 0.000 0.429 413 S N 5.283 121.078 115.700 0.159 0.000 2.537 413 S HA 0.558 5.028 4.470 -0.000 0.000 0.271 413 S C -2.355 172.268 174.600 0.039 0.000 1.148 413 S CA -1.000 57.293 58.200 0.156 0.000 0.868 413 S CB 2.077 65.523 63.200 0.409 0.000 1.115 413 S HN 0.543 nan 8.310 nan 0.000 0.461 414 P HA 0.047 nan 4.420 nan 0.000 0.242 414 P C 0.256 177.523 177.300 -0.054 0.000 1.197 414 P CA 0.592 63.552 63.100 -0.234 0.000 0.765 414 P CB -0.216 31.188 31.700 -0.493 0.000 0.936 415 Y N -0.739 119.743 120.300 0.304 0.000 2.490 415 Y HA 0.086 4.636 4.550 -0.000 0.000 0.281 415 Y C 1.339 177.333 175.900 0.157 0.000 1.174 415 Y CA -0.635 57.662 58.100 0.328 0.000 1.295 415 Y CB -0.681 38.044 38.460 0.441 0.000 1.062 415 Y HN -0.275 nan 8.280 nan 0.000 0.522 416 V N 0.632 120.676 119.914 0.217 0.000 2.508 416 V HA 0.343 4.463 4.120 -0.000 0.000 0.281 416 V C 1.077 177.199 176.094 0.046 0.000 1.041 416 V CA 0.572 62.945 62.300 0.122 0.000 1.016 416 V CB 0.423 32.303 31.823 0.094 0.000 0.984 416 V HN 0.626 nan 8.190 nan 0.000 0.478 417 G N 4.074 112.877 108.800 0.004 0.000 2.182 417 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.248 417 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.248 417 G C -0.197 174.645 174.900 -0.097 0.000 1.042 417 G CA 0.101 45.178 45.100 -0.038 0.000 0.775 417 G HN 0.694 nan 8.290 nan 0.000 0.501 418 Q N -0.236 119.433 119.800 -0.219 0.000 2.282 418 Q HA 0.602 4.942 4.340 -0.000 0.000 0.260 418 Q C 0.506 176.131 176.000 -0.625 0.000 0.964 418 Q CA -0.699 54.844 55.803 -0.433 0.000 0.880 418 Q CB 0.652 28.977 28.738 -0.689 0.000 1.286 418 Q HN 0.254 nan 8.270 nan 0.000 0.445 419 R N 3.720 123.956 120.500 -0.441 0.000 2.248 419 R HA 0.251 4.591 4.340 -0.000 0.000 0.337 419 R C -0.739 175.320 176.300 -0.401 0.000 1.085 419 R CA 0.157 56.045 56.100 -0.352 0.000 0.934 419 R CB -0.042 30.155 30.300 -0.172 0.000 1.034 419 R HN 0.599 nan 8.270 nan 0.000 0.465 420 F N 1.550 121.264 119.950 -0.393 0.000 2.470 420 F HA 0.484 5.011 4.527 -0.000 0.000 0.329 420 F C 1.005 176.598 175.800 -0.345 0.000 1.072 420 F CA -1.012 56.718 58.000 -0.450 0.000 0.989 420 F CB 1.862 40.382 39.000 -0.800 0.000 1.193 420 F HN 0.132 nan 8.300 nan 0.000 0.481 421 R N 1.424 121.983 120.500 0.098 0.000 2.483 421 R HA 0.571 4.911 4.340 -0.000 0.000 0.303 421 R C -1.106 175.332 176.300 0.230 0.000 0.987 421 R CA -0.489 55.657 56.100 0.077 0.000 0.881 421 R CB 1.579 31.767 30.300 -0.187 0.000 1.177 421 R HN 0.907 nan 8.270 nan 0.000 0.451 422 G N 3.854 112.819 108.800 0.275 0.000 3.353 422 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.682 422 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.682 422 G C -1.423 173.623 174.900 0.243 0.000 1.192 422 G CA -0.734 44.499 45.100 0.222 0.000 1.111 422 G HN 0.530 nan 8.290 nan 0.000 0.493 423 K N 1.731 122.221 120.400 0.150 0.000 2.378 423 K HA 0.725 5.045 4.320 -0.000 0.000 0.252 423 K C 0.470 177.039 176.600 -0.051 0.000 0.931 423 K CA -0.881 55.407 56.287 0.002 0.000 0.794 423 K CB 2.503 34.864 32.500 -0.231 0.000 1.181 423 K HN 1.125 nan 8.250 nan 0.000 0.425 424 V N 4.398 124.270 119.914 -0.071 0.000 2.555 424 V HA 0.202 4.322 4.120 -0.000 0.000 0.286 424 V C 0.142 176.259 176.094 0.038 0.000 1.044 424 V CA 0.272 62.559 62.300 -0.022 0.000 1.026 424 V CB 1.104 32.904 31.823 -0.038 0.000 0.981 424 V HN 0.857 nan 8.190 nan 0.000 0.480 425 K N 4.308 124.730 120.400 0.035 0.000 2.329 425 K HA 0.339 4.659 4.320 -0.000 0.000 0.198 425 K C 0.444 176.869 176.600 -0.291 0.000 1.085 425 K CA 0.780 57.023 56.287 -0.073 0.000 0.961 425 K CB 0.211 32.738 32.500 0.046 0.000 0.971 425 K HN 0.857 nan 8.250 nan 0.000 0.502 426 H N -0.208 118.880 119.070 0.030 0.000 2.961 426 H HA 0.393 4.949 4.556 -0.000 0.000 0.371 426 H C -0.780 174.575 175.328 0.044 0.000 1.190 426 H CA -0.378 55.661 56.048 -0.016 0.000 1.138 426 H CB 2.471 32.207 29.762 -0.043 0.000 1.816 426 H HN -0.182 nan 8.280 nan 0.000 0.551 427 T N 2.919 117.542 114.554 0.116 0.000 3.011 427 T HA 0.373 4.723 4.350 -0.000 0.000 0.303 427 T C -0.291 174.371 174.700 -0.062 0.000 0.997 427 T CA -0.514 61.627 62.100 0.069 0.000 1.007 427 T CB 0.926 69.850 68.868 0.094 0.000 1.017 427 T HN 0.245 nan 8.240 nan 0.000 0.443 428 I N 2.405 122.938 120.570 -0.062 0.000 2.404 428 I HA 0.538 4.708 4.170 -0.000 0.000 0.293 428 I C -0.181 175.819 176.117 -0.195 0.000 0.992 428 I CA -0.494 60.727 61.300 -0.133 0.000 1.149 428 I CB 1.594 39.554 38.000 -0.067 0.000 1.315 428 I HN 0.689 nan 8.210 nan 0.000 0.446 429 C N 6.337 125.546 119.300 -0.151 0.000 2.346 429 C HA 0.416 4.876 4.460 -0.000 0.000 0.326 429 C C 0.330 175.232 174.990 -0.146 0.000 1.224 429 C CA -0.271 58.656 59.018 -0.152 0.000 1.408 429 C CB -0.290 27.409 27.740 -0.069 0.000 2.089 429 C HN 0.958 nan 8.230 nan 0.000 0.456 430 Q N 4.260 123.940 119.800 -0.199 0.000 2.457 430 Q HA -0.222 4.118 4.340 -0.000 0.000 0.283 430 Q C 1.186 177.120 176.000 -0.110 0.000 1.234 430 Q CA 1.308 57.020 55.803 -0.152 0.000 0.877 430 Q CB -1.433 27.240 28.738 -0.108 0.000 1.250 430 Q HN 1.772 nan 8.270 nan 0.000 0.481 431 G N -0.107 108.612 108.800 -0.136 0.000 2.490 431 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.214 431 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.214 431 G C 0.142 175.037 174.900 -0.009 0.000 1.151 431 G CA 0.089 45.158 45.100 -0.051 0.000 0.684 431 G HN 0.251 nan 8.290 nan 0.000 0.518 432 K N 1.771 122.167 120.400 -0.007 0.000 2.447 432 K HA 0.111 4.431 4.320 -0.000 0.000 0.281 432 K C -0.195 176.444 176.600 0.065 0.000 1.031 432 K CA -0.402 55.909 56.287 0.040 0.000 1.019 432 K CB 0.013 32.532 32.500 0.031 0.000 0.918 432 K HN 0.425 nan 8.250 nan 0.000 0.476 433 H N 4.886 123.976 119.070 0.032 0.000 3.160 433 H HA 0.028 4.584 4.556 -0.000 0.000 0.257 433 H C 0.336 175.698 175.328 0.057 0.000 1.140 433 H CA 0.185 56.267 56.048 0.057 0.000 1.492 433 H CB 0.512 30.311 29.762 0.062 0.000 1.529 433 H HN 0.372 nan 8.280 nan 0.000 0.490 434 V N 6.655 126.603 119.914 0.057 0.000 3.431 434 V HA 0.033 4.153 4.120 -0.000 0.000 0.253 434 V C -0.533 175.648 176.094 0.145 0.000 1.184 434 V CA 0.367 62.721 62.300 0.091 0.000 1.104 434 V CB -0.022 31.824 31.823 0.038 0.000 0.799 434 V HN 0.663 nan 8.190 nan 0.000 0.462 435 Y N 0.520 120.794 120.300 -0.044 0.000 2.479 435 Y HA 0.610 5.160 4.550 -0.000 0.000 0.338 435 Y C -0.803 175.085 175.900 -0.019 0.000 1.055 435 Y CA -1.067 56.996 58.100 -0.061 0.000 1.023 435 Y CB 1.531 39.903 38.460 -0.148 0.000 1.287 435 Y HN 0.126 nan 8.280 nan 0.000 0.447 436 Q N 4.667 123.989 119.800 -0.796 0.000 2.271 436 Q HA 0.276 4.616 4.340 -0.000 0.000 0.268 436 Q C -1.785 173.577 176.000 -1.062 0.000 1.021 436 Q CA -0.916 54.400 55.803 -0.811 0.000 0.802 436 Q CB 1.635 30.241 28.738 -0.221 0.000 1.282 436 Q HN 0.758 nan 8.270 nan 0.000 0.431 437 D N 2.936 122.764 120.400 -0.952 0.000 2.487 437 D HA 0.095 4.735 4.640 -0.000 0.000 0.243 437 D C -0.468 175.626 176.300 -0.343 0.000 1.154 437 D CA 1.544 55.208 54.000 -0.561 0.000 0.876 437 D CB 0.145 40.726 40.800 -0.365 0.000 1.161 437 D HN 0.690 nan 8.370 nan 0.000 0.478 438 H N 0.000 118.976 119.070 -0.157 0.000 2.539 438 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 438 H CA 0.000 55.992 56.048 -0.094 0.000 1.023 438 H CB 0.000 29.718 29.762 -0.073 0.000 1.292 438 H HN 0.000 nan 8.280 nan 0.000 0.496